USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1242 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 9 THR OG1 : rot -100:sc= 0.663 USER MOD Set 1.2: A 154 SER OG : rot -150:sc= 0.194 USER MOD Set 1.3: A 157 LYS NZ :NH3+ 172:sc= 1.15 (180deg=0) USER MOD Set 2.1: A 7 TYR OH : rot 162:sc= 0.707 USER MOD Set 2.2: A 153 TYR OH : rot -27:sc= 1.03 USER MOD Set 3.1: A 79 SER OG : rot 25:sc= -0.0227 USER MOD Set 3.2: A 105 SER OG : rot 180:sc= -0.374 USER MOD Set 4.1: A 62 TYR OH : rot 30:sc= 0.682 USER MOD Set 4.2: A 100 SER OG : rot -175:sc= 0.772 USER MOD Set 5.1: A 47 CYS SG : rot -167:sc= 0.963 USER MOD Set 5.2: A 137 HIS : no HE2:sc= 1.73 K(o=2.7,f=-7.2!) USER MOD Set 6.1: A 13 ASN : amide:sc= 1.01 K(o=2.1,f=-7.4!) USER MOD Set 6.2: A 15 LYS NZ :NH3+ -129:sc= 1.13 (180deg=0.277) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0.199 K(o=0.2,f=-1.9!) USER MOD Single : A 34 GLN : amide:sc= 0.366 X(o=0.37,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -174:sc= 2.47 (180deg=2.28) USER MOD Single : A 45 THR OG1 : rot -55:sc= 1.24 USER MOD Single : A 51 CYS SG : rot -173:sc= 0.572 USER MOD Single : A 53 THR OG1 : rot -93:sc= 1.22 USER MOD Single : A 54 THR OG1 : rot 84:sc= 1.27 USER MOD Single : A 59 LYS NZ :NH3+ 173:sc= -1.12 (180deg=-1.18!) USER MOD Single : A 64 LYS NZ :NH3+ 142:sc= 1.05 (180deg=0.428) USER MOD Single : A 68 LYS NZ :NH3+ -150:sc= 1.21 (180deg=-0.268!) USER MOD Single : A 70 GLN : amide:sc= 0.171 X(o=0.17,f=-0.32) USER MOD Single : A 74 GLN : amide:sc= 0.692 K(o=0.69,f=-1.2) USER MOD Single : A 93 TYR OH : rot 165:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -162:sc= 1.5 (180deg=1.16) USER MOD Single : A 98 HIS : no HD1:sc= -0.745 X(o=-0.75,f=-0.62) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= 0.0958 K(o=0.096,f=-7!) USER MOD Single : A 117 THR OG1 : rot 90:sc= 1.07 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 LYS NZ :NH3+ 179:sc= 1.39 (180deg=1.31) USER MOD Single : A 138 THR OG1 : rot 81:sc= 1.23 USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 LYS NZ :NH3+ -158:sc= 1.37 (180deg=0.421) USER MOD Single : A 161 THR OG1 : rot -20:sc= 0.296 USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 89 N TYR A 7 17.482 3.373 4.454 1.00 2.36 N ATOM 90 CA TYR A 7 17.253 2.005 3.956 1.00 2.09 C ATOM 91 C TYR A 7 15.991 1.840 3.069 1.00 1.58 C ATOM 92 O TYR A 7 15.856 0.839 2.360 1.00 1.62 O ATOM 93 CB TYR A 7 17.205 1.045 5.164 1.00 2.53 C ATOM 94 CG TYR A 7 15.903 1.012 5.957 1.00 1.41 C ATOM 95 CD1 TYR A 7 15.191 2.194 6.242 1.00 2.38 C ATOM 96 CD2 TYR A 7 15.387 -0.222 6.407 1.00 2.19 C ATOM 97 CE1 TYR A 7 13.942 2.148 6.867 1.00 3.79 C ATOM 98 CE2 TYR A 7 14.152 -0.270 7.082 1.00 2.92 C ATOM 99 CZ TYR A 7 13.402 0.913 7.273 1.00 3.75 C ATOM 100 OH TYR A 7 12.172 0.880 7.843 1.00 5.42 O ATOM 0 HA TYR A 7 18.085 1.764 3.294 1.00 2.09 H new ATOM 0 HB2 TYR A 7 17.412 0.036 4.806 1.00 2.53 H new ATOM 0 HB3 TYR A 7 18.012 1.314 5.845 1.00 2.53 H new ATOM 0 HD1 TYR A 7 15.617 3.150 5.973 1.00 2.38 H new ATOM 0 HD2 TYR A 7 15.941 -1.133 6.233 1.00 2.19 H new ATOM 0 HE1 TYR A 7 13.391 3.061 7.039 1.00 3.79 H new ATOM 0 HE2 TYR A 7 13.777 -1.212 7.454 1.00 2.92 H new ATOM 0 HH TYR A 7 11.819 -0.034 7.807 1.00 5.42 H new ATOM 110 N GLY A 8 15.071 2.821 3.085 1.00 1.37 N ATOM 111 CA GLY A 8 13.904 2.884 2.205 1.00 1.24 C ATOM 112 C GLY A 8 14.358 2.881 0.746 1.00 1.18 C ATOM 113 O GLY A 8 15.337 3.529 0.369 1.00 1.27 O ATOM 0 H GLY A 8 15.126 3.610 3.729 1.00 1.37 H new ATOM 0 HA2 GLY A 8 13.248 2.034 2.394 1.00 1.24 H new ATOM 0 HA3 GLY A 8 13.327 3.785 2.414 1.00 1.24 H new ATOM 117 N THR A 9 13.682 2.097 -0.099 1.00 1.54 N ATOM 118 CA THR A 9 14.177 1.756 -1.443 1.00 1.96 C ATOM 119 C THR A 9 13.787 2.864 -2.420 1.00 2.02 C ATOM 120 O THR A 9 12.773 2.815 -3.111 1.00 2.11 O ATOM 121 CB THR A 9 13.668 0.382 -1.855 1.00 2.59 C ATOM 122 OG1 THR A 9 14.013 -0.571 -0.865 1.00 2.79 O ATOM 123 CG2 THR A 9 14.238 -0.094 -3.192 1.00 3.05 C ATOM 0 H THR A 9 12.778 1.680 0.125 1.00 1.54 H new ATOM 0 HA THR A 9 15.265 1.692 -1.446 1.00 1.96 H new ATOM 0 HB THR A 9 12.587 0.474 -1.963 1.00 2.59 H new ATOM 0 HG1 THR A 9 14.806 -1.070 -1.153 1.00 2.79 H new ATOM 0 HG21 THR A 9 13.836 -1.079 -3.429 1.00 3.05 H new ATOM 0 HG22 THR A 9 13.960 0.609 -3.977 1.00 3.05 H new ATOM 0 HG23 THR A 9 15.324 -0.152 -3.124 1.00 3.05 H new ATOM 131 N ARG A 10 14.585 3.927 -2.390 1.00 1.87 N ATOM 132 CA ARG A 10 14.292 5.192 -3.073 1.00 1.96 C ATOM 133 C ARG A 10 14.309 5.062 -4.595 1.00 2.63 C ATOM 134 O ARG A 10 15.094 4.301 -5.159 1.00 3.26 O ATOM 135 CB ARG A 10 15.192 6.341 -2.570 1.00 1.88 C ATOM 136 CG ARG A 10 16.469 6.616 -3.387 1.00 3.56 C ATOM 137 CD ARG A 10 17.492 5.469 -3.363 1.00 5.66 C ATOM 138 NE ARG A 10 18.604 5.716 -4.305 1.00 7.25 N ATOM 139 CZ ARG A 10 18.667 5.354 -5.585 1.00 8.81 C ATOM 140 NH1 ARG A 10 17.679 4.749 -6.216 1.00 9.32 N ATOM 141 NH2 ARG A 10 19.764 5.596 -6.271 1.00 10.22 N ATOM 0 H ARG A 10 15.470 3.938 -1.883 1.00 1.87 H new ATOM 0 HA ARG A 10 13.268 5.454 -2.808 1.00 1.96 H new ATOM 0 HB2 ARG A 10 14.598 7.255 -2.545 1.00 1.88 H new ATOM 0 HB3 ARG A 10 15.484 6.122 -1.543 1.00 1.88 H new ATOM 0 HG2 ARG A 10 16.189 6.816 -4.421 1.00 3.56 H new ATOM 0 HG3 ARG A 10 16.944 7.519 -3.005 1.00 3.56 H new ATOM 0 HD2 ARG A 10 17.887 5.354 -2.354 1.00 5.66 H new ATOM 0 HD3 ARG A 10 16.997 4.533 -3.620 1.00 5.66 H new ATOM 0 HE ARG A 10 19.411 6.218 -3.934 1.00 7.25 H new ATOM 0 HH11 ARG A 10 16.813 4.536 -5.722 1.00 9.32 H new ATOM 0 HH12 ARG A 10 17.782 4.494 -7.198 1.00 9.32 H new ATOM 0 HH21 ARG A 10 20.555 6.057 -5.822 1.00 10.22 H new ATOM 0 HH22 ARG A 10 19.823 5.323 -7.252 1.00 10.22 H new ATOM 155 N LEU A 11 13.523 5.903 -5.273 1.00 2.10 N ATOM 156 CA LEU A 11 13.388 5.884 -6.739 1.00 2.40 C ATOM 157 C LEU A 11 14.391 6.775 -7.487 1.00 3.02 C ATOM 158 O LEU A 11 14.693 6.480 -8.640 1.00 4.81 O ATOM 159 CB LEU A 11 11.947 6.264 -7.128 1.00 1.87 C ATOM 160 CG LEU A 11 10.890 5.218 -6.723 1.00 1.78 C ATOM 161 CD1 LEU A 11 9.506 5.718 -7.145 1.00 1.40 C ATOM 162 CD2 LEU A 11 11.143 3.851 -7.381 1.00 2.25 C ATOM 0 H LEU A 11 12.958 6.622 -4.821 1.00 2.10 H new ATOM 0 HA LEU A 11 13.620 4.865 -7.050 1.00 2.40 H new ATOM 0 HB2 LEU A 11 11.696 7.217 -6.663 1.00 1.87 H new ATOM 0 HB3 LEU A 11 11.900 6.413 -8.207 1.00 1.87 H new ATOM 0 HG LEU A 11 10.950 5.088 -5.642 1.00 1.78 H new ATOM 0 HD11 LEU A 11 8.752 4.984 -6.862 1.00 1.40 H new ATOM 0 HD12 LEU A 11 9.294 6.665 -6.649 1.00 1.40 H new ATOM 0 HD13 LEU A 11 9.485 5.862 -8.225 1.00 1.40 H new ATOM 0 HD21 LEU A 11 10.373 3.147 -7.066 1.00 2.25 H new ATOM 0 HD22 LEU A 11 11.114 3.958 -8.465 1.00 2.25 H new ATOM 0 HD23 LEU A 11 12.121 3.477 -7.079 1.00 2.25 H new ATOM 174 N LEU A 12 14.887 7.848 -6.855 1.00 2.28 N ATOM 175 CA LEU A 12 15.809 8.860 -7.410 1.00 2.58 C ATOM 176 C LEU A 12 15.124 9.772 -8.440 1.00 2.53 C ATOM 177 O LEU A 12 15.111 10.980 -8.261 1.00 2.68 O ATOM 178 CB LEU A 12 17.093 8.208 -7.950 1.00 3.09 C ATOM 179 CG LEU A 12 18.270 9.201 -7.976 1.00 2.50 C ATOM 180 CD1 LEU A 12 18.794 9.528 -6.565 1.00 3.20 C ATOM 181 CD2 LEU A 12 19.399 8.567 -8.786 1.00 3.90 C ATOM 0 H LEU A 12 14.643 8.048 -5.885 1.00 2.28 H new ATOM 0 HA LEU A 12 16.107 9.514 -6.591 1.00 2.58 H new ATOM 0 HB2 LEU A 12 17.354 7.351 -7.330 1.00 3.09 H new ATOM 0 HB3 LEU A 12 16.914 7.830 -8.957 1.00 3.09 H new ATOM 0 HG LEU A 12 17.923 10.134 -8.419 1.00 2.50 H new ATOM 0 HD11 LEU A 12 19.623 10.232 -6.639 1.00 3.20 H new ATOM 0 HD12 LEU A 12 17.993 9.971 -5.973 1.00 3.20 H new ATOM 0 HD13 LEU A 12 19.137 8.613 -6.083 1.00 3.20 H new ATOM 0 HD21 LEU A 12 20.248 9.249 -8.822 1.00 3.90 H new ATOM 0 HD22 LEU A 12 19.704 7.632 -8.316 1.00 3.90 H new ATOM 0 HD23 LEU A 12 19.052 8.367 -9.800 1.00 3.90 H new ATOM 193 N ASN A 13 14.491 9.194 -9.461 1.00 2.40 N ATOM 194 CA ASN A 13 13.556 9.884 -10.345 1.00 2.33 C ATOM 195 C ASN A 13 12.128 9.817 -9.755 1.00 2.03 C ATOM 196 O ASN A 13 11.533 8.728 -9.782 1.00 2.14 O ATOM 197 CB ASN A 13 13.620 9.221 -11.732 1.00 2.69 C ATOM 198 CG ASN A 13 12.551 9.764 -12.675 1.00 2.90 C ATOM 199 OD1 ASN A 13 11.432 9.263 -12.718 1.00 4.07 O ATOM 200 ND2 ASN A 13 12.851 10.816 -13.414 1.00 2.78 N ATOM 0 H ASN A 13 14.618 8.211 -9.700 1.00 2.40 H new ATOM 0 HA ASN A 13 13.824 10.936 -10.440 1.00 2.33 H new ATOM 0 HB2 ASN A 13 14.605 9.386 -12.168 1.00 2.69 H new ATOM 0 HB3 ASN A 13 13.495 8.143 -11.625 1.00 2.69 H new ATOM 0 HD21 ASN A 13 12.148 11.223 -14.031 1.00 2.78 H new ATOM 0 HD22 ASN A 13 13.786 11.222 -13.368 1.00 2.78 H new ATOM 207 N PRO A 14 11.550 10.933 -9.260 1.00 1.67 N ATOM 208 CA PRO A 14 10.141 11.019 -8.897 1.00 1.34 C ATOM 209 C PRO A 14 9.282 11.345 -10.126 1.00 1.51 C ATOM 210 O PRO A 14 9.772 11.914 -11.098 1.00 2.19 O ATOM 211 CB PRO A 14 10.069 12.137 -7.858 1.00 1.58 C ATOM 212 CG PRO A 14 11.126 13.119 -8.368 1.00 2.00 C ATOM 213 CD PRO A 14 12.208 12.196 -8.934 1.00 2.01 C ATOM 0 HA PRO A 14 9.758 10.077 -8.503 1.00 1.34 H new ATOM 0 HB2 PRO A 14 9.079 12.590 -7.815 1.00 1.58 H new ATOM 0 HB3 PRO A 14 10.298 11.777 -6.855 1.00 1.58 H new ATOM 0 HG2 PRO A 14 10.724 13.785 -9.131 1.00 2.00 H new ATOM 0 HG3 PRO A 14 11.512 13.749 -7.567 1.00 2.00 H new ATOM 0 HD2 PRO A 14 12.666 12.634 -9.821 1.00 2.01 H new ATOM 0 HD3 PRO A 14 13.005 12.041 -8.207 1.00 2.01 H new ATOM 221 N LYS A 15 7.993 10.993 -10.089 1.00 1.39 N ATOM 222 CA LYS A 15 7.105 11.108 -11.261 1.00 1.69 C ATOM 223 C LYS A 15 5.615 11.075 -10.896 1.00 1.65 C ATOM 224 O LYS A 15 5.295 10.376 -9.937 1.00 1.64 O ATOM 225 CB LYS A 15 7.474 10.030 -12.300 1.00 2.03 C ATOM 226 CG LYS A 15 6.890 8.609 -12.198 1.00 1.76 C ATOM 227 CD LYS A 15 7.239 7.818 -10.932 1.00 3.23 C ATOM 228 CE LYS A 15 8.714 7.814 -10.496 1.00 4.61 C ATOM 229 NZ LYS A 15 9.670 7.421 -11.559 1.00 5.76 N ATOM 0 H LYS A 15 7.534 10.623 -9.256 1.00 1.39 H new ATOM 0 HA LYS A 15 7.265 12.092 -11.703 1.00 1.69 H new ATOM 0 HB2 LYS A 15 7.198 10.421 -13.280 1.00 2.03 H new ATOM 0 HB3 LYS A 15 8.560 9.932 -12.290 1.00 2.03 H new ATOM 0 HG2 LYS A 15 5.805 8.680 -12.268 1.00 1.76 H new ATOM 0 HG3 LYS A 15 7.229 8.038 -13.062 1.00 1.76 H new ATOM 0 HD2 LYS A 15 6.644 8.215 -10.110 1.00 3.23 H new ATOM 0 HD3 LYS A 15 6.927 6.784 -11.082 1.00 3.23 H new ATOM 0 HE2 LYS A 15 8.977 8.810 -10.139 1.00 4.61 H new ATOM 0 HE3 LYS A 15 8.828 7.133 -9.653 1.00 4.61 H new ATOM 0 HZ1 LYS A 15 10.298 6.673 -11.202 1.00 5.76 H new ATOM 0 HZ2 LYS A 15 9.145 7.068 -12.385 1.00 5.76 H new ATOM 0 HZ3 LYS A 15 10.238 8.246 -11.837 1.00 5.76 H new ATOM 243 N PRO A 16 4.719 11.795 -11.601 1.00 1.41 N ATOM 244 CA PRO A 16 3.288 11.785 -11.301 1.00 1.29 C ATOM 245 C PRO A 16 2.697 10.395 -11.546 1.00 1.31 C ATOM 246 O PRO A 16 3.166 9.685 -12.434 1.00 1.27 O ATOM 247 CB PRO A 16 2.661 12.850 -12.206 1.00 1.43 C ATOM 248 CG PRO A 16 3.608 12.889 -13.403 1.00 1.55 C ATOM 249 CD PRO A 16 4.976 12.621 -12.771 1.00 1.65 C ATOM 0 HA PRO A 16 3.087 12.011 -10.254 1.00 1.29 H new ATOM 0 HB2 PRO A 16 1.647 12.581 -12.503 1.00 1.43 H new ATOM 0 HB3 PRO A 16 2.601 13.818 -11.708 1.00 1.43 H new ATOM 0 HG2 PRO A 16 3.351 12.133 -14.145 1.00 1.55 H new ATOM 0 HG3 PRO A 16 3.579 13.854 -13.909 1.00 1.55 H new ATOM 0 HD2 PRO A 16 5.637 12.111 -13.472 1.00 1.65 H new ATOM 0 HD3 PRO A 16 5.466 13.553 -12.491 1.00 1.65 H new ATOM 257 N VAL A 17 1.678 10.027 -10.764 1.00 0.98 N ATOM 258 CA VAL A 17 0.946 8.753 -10.852 1.00 0.92 C ATOM 259 C VAL A 17 -0.446 8.948 -10.251 1.00 1.28 C ATOM 260 O VAL A 17 -0.578 9.624 -9.234 1.00 1.40 O ATOM 261 CB VAL A 17 1.632 7.565 -10.127 1.00 0.86 C ATOM 262 CG1 VAL A 17 2.882 7.044 -10.859 1.00 1.03 C ATOM 263 CG2 VAL A 17 2.022 7.865 -8.668 1.00 0.91 C ATOM 0 H VAL A 17 1.324 10.630 -10.022 1.00 0.98 H new ATOM 0 HA VAL A 17 0.913 8.492 -11.910 1.00 0.92 H new ATOM 0 HB VAL A 17 0.861 6.795 -10.133 1.00 0.86 H new ATOM 0 HG11 VAL A 17 3.312 6.214 -10.299 1.00 1.03 H new ATOM 0 HG12 VAL A 17 2.604 6.703 -11.856 1.00 1.03 H new ATOM 0 HG13 VAL A 17 3.616 7.846 -10.941 1.00 1.03 H new ATOM 0 HG21 VAL A 17 2.496 6.986 -8.230 1.00 0.91 H new ATOM 0 HG22 VAL A 17 2.718 8.703 -8.642 1.00 0.91 H new ATOM 0 HG23 VAL A 17 1.129 8.118 -8.097 1.00 0.91 H new ATOM 273 N ASP A 18 -1.459 8.340 -10.870 1.00 0.98 N ATOM 274 CA ASP A 18 -2.876 8.544 -10.547 1.00 1.18 C ATOM 275 C ASP A 18 -3.745 7.445 -11.190 1.00 1.54 C ATOM 276 O ASP A 18 -3.728 7.269 -12.407 1.00 2.38 O ATOM 277 CB ASP A 18 -3.322 9.966 -10.964 1.00 1.68 C ATOM 278 CG ASP A 18 -3.537 10.868 -9.746 1.00 3.09 C ATOM 279 OD1 ASP A 18 -4.480 10.528 -8.992 1.00 3.30 O ATOM 280 OD2 ASP A 18 -2.811 11.874 -9.577 1.00 4.59 O ATOM 0 H ASP A 18 -1.315 7.675 -11.630 1.00 0.98 H new ATOM 0 HA ASP A 18 -3.011 8.464 -9.468 1.00 1.18 H new ATOM 0 HB2 ASP A 18 -2.569 10.408 -11.616 1.00 1.68 H new ATOM 0 HB3 ASP A 18 -4.246 9.904 -11.540 1.00 1.68 H new ATOM 285 N PHE A 19 -4.469 6.689 -10.352 1.00 1.15 N ATOM 286 CA PHE A 19 -5.221 5.478 -10.719 1.00 1.20 C ATOM 287 C PHE A 19 -6.666 5.507 -10.195 1.00 1.72 C ATOM 288 O PHE A 19 -6.995 6.309 -9.316 1.00 1.82 O ATOM 289 CB PHE A 19 -4.492 4.250 -10.143 1.00 1.30 C ATOM 290 CG PHE A 19 -4.477 4.155 -8.619 1.00 1.31 C ATOM 291 CD1 PHE A 19 -5.558 3.582 -7.917 1.00 1.58 C ATOM 292 CD2 PHE A 19 -3.374 4.642 -7.893 1.00 2.54 C ATOM 293 CE1 PHE A 19 -5.541 3.512 -6.511 1.00 1.55 C ATOM 294 CE2 PHE A 19 -3.345 4.543 -6.490 1.00 2.43 C ATOM 295 CZ PHE A 19 -4.436 3.999 -5.795 1.00 1.49 C ATOM 0 H PHE A 19 -4.551 6.913 -9.360 1.00 1.15 H new ATOM 0 HA PHE A 19 -5.271 5.428 -11.807 1.00 1.20 H new ATOM 0 HB2 PHE A 19 -4.960 3.350 -10.542 1.00 1.30 H new ATOM 0 HB3 PHE A 19 -3.462 4.259 -10.500 1.00 1.30 H new ATOM 0 HD1 PHE A 19 -6.405 3.194 -8.462 1.00 1.58 H new ATOM 0 HD2 PHE A 19 -2.545 5.095 -8.416 1.00 2.54 H new ATOM 0 HE1 PHE A 19 -6.379 3.083 -5.982 1.00 1.55 H new ATOM 0 HE2 PHE A 19 -2.479 4.887 -5.945 1.00 2.43 H new ATOM 0 HZ PHE A 19 -4.426 3.955 -4.716 1.00 1.49 H new ATOM 305 N ALA A 20 -7.502 4.570 -10.656 1.00 1.08 N ATOM 306 CA ALA A 20 -8.839 4.289 -10.134 1.00 1.02 C ATOM 307 C ALA A 20 -8.962 2.857 -9.568 1.00 1.13 C ATOM 308 O ALA A 20 -8.654 1.884 -10.248 1.00 1.12 O ATOM 309 CB ALA A 20 -9.847 4.516 -11.270 1.00 1.07 C ATOM 0 H ALA A 20 -7.252 3.962 -11.436 1.00 1.08 H new ATOM 0 HA ALA A 20 -9.043 4.960 -9.299 1.00 1.02 H new ATOM 0 HB1 ALA A 20 -10.855 4.313 -10.908 1.00 1.07 H new ATOM 0 HB2 ALA A 20 -9.785 5.550 -11.610 1.00 1.07 H new ATOM 0 HB3 ALA A 20 -9.618 3.847 -12.099 1.00 1.07 H new ATOM 315 N LEU A 21 -9.478 2.720 -8.339 1.00 0.99 N ATOM 316 CA LEU A 21 -9.862 1.445 -7.723 1.00 0.91 C ATOM 317 C LEU A 21 -11.307 1.488 -7.219 1.00 1.12 C ATOM 318 O LEU A 21 -11.889 2.562 -7.045 1.00 1.27 O ATOM 319 CB LEU A 21 -8.927 1.121 -6.539 1.00 0.87 C ATOM 320 CG LEU A 21 -8.125 -0.187 -6.620 1.00 0.88 C ATOM 321 CD1 LEU A 21 -8.999 -1.442 -6.766 1.00 1.12 C ATOM 322 CD2 LEU A 21 -7.074 -0.137 -7.731 1.00 1.32 C ATOM 0 H LEU A 21 -9.644 3.519 -7.728 1.00 0.99 H new ATOM 0 HA LEU A 21 -9.776 0.671 -8.485 1.00 0.91 H new ATOM 0 HB2 LEU A 21 -8.221 1.945 -6.430 1.00 0.87 H new ATOM 0 HB3 LEU A 21 -9.528 1.094 -5.630 1.00 0.87 H new ATOM 0 HG LEU A 21 -7.619 -0.271 -5.658 1.00 0.88 H new ATOM 0 HD11 LEU A 21 -8.362 -2.325 -6.817 1.00 1.12 H new ATOM 0 HD12 LEU A 21 -9.665 -1.524 -5.907 1.00 1.12 H new ATOM 0 HD13 LEU A 21 -9.591 -1.369 -7.678 1.00 1.12 H new ATOM 0 HD21 LEU A 21 -6.527 -1.080 -7.757 1.00 1.32 H new ATOM 0 HD22 LEU A 21 -7.566 0.024 -8.690 1.00 1.32 H new ATOM 0 HD23 LEU A 21 -6.379 0.680 -7.538 1.00 1.32 H new ATOM 334 N GLU A 22 -11.830 0.304 -6.918 1.00 0.81 N ATOM 335 CA GLU A 22 -13.142 0.049 -6.333 1.00 0.72 C ATOM 336 C GLU A 22 -12.989 -0.317 -4.843 1.00 0.97 C ATOM 337 O GLU A 22 -11.978 -0.883 -4.423 1.00 1.21 O ATOM 338 CB GLU A 22 -13.777 -1.061 -7.180 1.00 0.88 C ATOM 339 CG GLU A 22 -15.203 -1.482 -6.806 1.00 1.15 C ATOM 340 CD GLU A 22 -15.900 -2.241 -7.948 1.00 1.95 C ATOM 341 OE1 GLU A 22 -15.229 -3.007 -8.682 1.00 2.74 O ATOM 342 OE2 GLU A 22 -17.111 -1.995 -8.123 1.00 2.89 O ATOM 0 H GLU A 22 -11.315 -0.560 -7.087 1.00 0.81 H new ATOM 0 HA GLU A 22 -13.792 0.924 -6.348 1.00 0.72 H new ATOM 0 HB2 GLU A 22 -13.780 -0.736 -8.220 1.00 0.88 H new ATOM 0 HB3 GLU A 22 -13.136 -1.941 -7.123 1.00 0.88 H new ATOM 0 HG2 GLU A 22 -15.173 -2.112 -5.917 1.00 1.15 H new ATOM 0 HG3 GLU A 22 -15.786 -0.598 -6.550 1.00 1.15 H new ATOM 349 N GLY A 23 -13.969 0.059 -4.022 1.00 0.61 N ATOM 350 CA GLY A 23 -14.073 -0.310 -2.606 1.00 0.59 C ATOM 351 C GLY A 23 -15.525 -0.592 -2.202 1.00 0.77 C ATOM 352 O GLY A 23 -16.428 -0.406 -3.021 1.00 0.93 O ATOM 0 H GLY A 23 -14.740 0.649 -4.333 1.00 0.61 H new ATOM 0 HA2 GLY A 23 -13.463 -1.193 -2.414 1.00 0.59 H new ATOM 0 HA3 GLY A 23 -13.673 0.495 -1.989 1.00 0.59 H new ATOM 356 N PRO A 24 -15.794 -0.957 -0.932 1.00 0.69 N ATOM 357 CA PRO A 24 -17.124 -1.370 -0.455 1.00 0.96 C ATOM 358 C PRO A 24 -18.154 -0.227 -0.343 1.00 1.22 C ATOM 359 O PRO A 24 -19.205 -0.401 0.264 1.00 1.28 O ATOM 360 CB PRO A 24 -16.859 -2.071 0.885 1.00 1.06 C ATOM 361 CG PRO A 24 -15.599 -1.382 1.404 1.00 0.96 C ATOM 362 CD PRO A 24 -14.802 -1.111 0.128 1.00 0.73 C ATOM 0 HA PRO A 24 -17.601 -2.029 -1.180 1.00 0.96 H new ATOM 0 HB2 PRO A 24 -17.695 -1.950 1.574 1.00 1.06 H new ATOM 0 HB3 PRO A 24 -16.706 -3.142 0.754 1.00 1.06 H new ATOM 0 HG2 PRO A 24 -15.834 -0.460 1.936 1.00 0.96 H new ATOM 0 HG3 PRO A 24 -15.048 -2.018 2.096 1.00 0.96 H new ATOM 0 HD2 PRO A 24 -14.194 -0.212 0.229 1.00 0.73 H new ATOM 0 HD3 PRO A 24 -14.120 -1.933 -0.090 1.00 0.73 H new ATOM 370 N GLN A 25 -17.869 0.949 -0.914 1.00 0.98 N ATOM 371 CA GLN A 25 -18.771 2.109 -0.961 1.00 1.12 C ATOM 372 C GLN A 25 -18.770 2.774 -2.356 1.00 1.32 C ATOM 373 O GLN A 25 -19.253 3.894 -2.494 1.00 1.63 O ATOM 374 CB GLN A 25 -18.379 3.110 0.147 1.00 1.26 C ATOM 375 CG GLN A 25 -18.615 2.570 1.570 1.00 2.12 C ATOM 376 CD GLN A 25 -18.232 3.593 2.636 1.00 2.42 C ATOM 377 OE1 GLN A 25 -19.050 4.295 3.199 1.00 2.91 O ATOM 378 NE2 GLN A 25 -16.960 3.742 2.949 1.00 3.42 N ATOM 0 H GLN A 25 -16.975 1.127 -1.372 1.00 0.98 H new ATOM 0 HA GLN A 25 -19.791 1.769 -0.781 1.00 1.12 H new ATOM 0 HB2 GLN A 25 -17.327 3.371 0.035 1.00 1.26 H new ATOM 0 HB3 GLN A 25 -18.951 4.029 0.015 1.00 1.26 H new ATOM 0 HG2 GLN A 25 -19.664 2.299 1.687 1.00 2.12 H new ATOM 0 HG3 GLN A 25 -18.033 1.660 1.714 1.00 2.12 H new ATOM 0 HE21 GLN A 25 -16.252 3.167 2.493 1.00 3.42 H new ATOM 0 HE22 GLN A 25 -16.684 4.432 3.647 1.00 3.42 H new ATOM 387 N GLY A 26 -18.219 2.116 -3.388 1.00 1.04 N ATOM 388 CA GLY A 26 -18.016 2.690 -4.721 1.00 1.08 C ATOM 389 C GLY A 26 -16.535 2.934 -5.061 1.00 1.02 C ATOM 390 O GLY A 26 -15.650 2.561 -4.286 1.00 1.11 O ATOM 0 H GLY A 26 -17.897 1.151 -3.314 1.00 1.04 H new ATOM 0 HA2 GLY A 26 -18.447 2.021 -5.466 1.00 1.08 H new ATOM 0 HA3 GLY A 26 -18.557 3.634 -4.789 1.00 1.08 H new ATOM 394 N PRO A 27 -16.254 3.497 -6.252 1.00 0.89 N ATOM 395 CA PRO A 27 -14.908 3.751 -6.747 1.00 1.02 C ATOM 396 C PRO A 27 -14.266 5.013 -6.155 1.00 1.18 C ATOM 397 O PRO A 27 -14.946 5.965 -5.779 1.00 1.09 O ATOM 398 CB PRO A 27 -15.058 3.860 -8.268 1.00 1.14 C ATOM 399 CG PRO A 27 -16.459 4.457 -8.424 1.00 1.05 C ATOM 400 CD PRO A 27 -17.235 3.793 -7.286 1.00 0.95 C ATOM 0 HA PRO A 27 -14.234 2.948 -6.449 1.00 1.02 H new ATOM 0 HB2 PRO A 27 -14.293 4.501 -8.706 1.00 1.14 H new ATOM 0 HB3 PRO A 27 -14.975 2.888 -8.754 1.00 1.14 H new ATOM 0 HG2 PRO A 27 -16.450 5.543 -8.328 1.00 1.05 H new ATOM 0 HG3 PRO A 27 -16.891 4.227 -9.398 1.00 1.05 H new ATOM 0 HD2 PRO A 27 -18.014 4.454 -6.907 1.00 0.95 H new ATOM 0 HD3 PRO A 27 -17.728 2.883 -7.628 1.00 0.95 H new ATOM 408 N VAL A 28 -12.933 5.034 -6.147 1.00 0.98 N ATOM 409 CA VAL A 28 -12.085 6.158 -5.731 1.00 1.17 C ATOM 410 C VAL A 28 -10.907 6.324 -6.698 1.00 1.36 C ATOM 411 O VAL A 28 -10.502 5.360 -7.349 1.00 1.27 O ATOM 412 CB VAL A 28 -11.532 5.952 -4.306 1.00 1.46 C ATOM 413 CG1 VAL A 28 -12.618 6.161 -3.238 1.00 2.51 C ATOM 414 CG2 VAL A 28 -10.834 4.596 -4.083 1.00 2.05 C ATOM 0 H VAL A 28 -12.385 4.227 -6.445 1.00 0.98 H new ATOM 0 HA VAL A 28 -12.707 7.053 -5.742 1.00 1.17 H new ATOM 0 HB VAL A 28 -10.764 6.718 -4.200 1.00 1.46 H new ATOM 0 HG11 VAL A 28 -12.189 6.007 -2.248 1.00 2.51 H new ATOM 0 HG12 VAL A 28 -13.009 7.176 -3.310 1.00 2.51 H new ATOM 0 HG13 VAL A 28 -13.427 5.448 -3.398 1.00 2.51 H new ATOM 0 HG21 VAL A 28 -10.476 4.536 -3.055 1.00 2.05 H new ATOM 0 HG22 VAL A 28 -11.541 3.788 -4.269 1.00 2.05 H new ATOM 0 HG23 VAL A 28 -9.990 4.504 -4.767 1.00 2.05 H new ATOM 424 N ARG A 29 -10.335 7.531 -6.772 1.00 1.14 N ATOM 425 CA ARG A 29 -9.064 7.791 -7.460 1.00 1.07 C ATOM 426 C ARG A 29 -8.018 8.363 -6.510 1.00 1.38 C ATOM 427 O ARG A 29 -8.374 9.081 -5.575 1.00 1.68 O ATOM 428 CB ARG A 29 -9.233 8.741 -8.659 1.00 1.07 C ATOM 429 CG ARG A 29 -10.014 8.099 -9.815 1.00 1.09 C ATOM 430 CD ARG A 29 -11.530 8.322 -9.749 1.00 1.76 C ATOM 431 NE ARG A 29 -11.917 9.652 -10.253 1.00 2.74 N ATOM 432 CZ ARG A 29 -12.042 9.990 -11.536 1.00 3.47 C ATOM 433 NH1 ARG A 29 -11.711 9.158 -12.503 1.00 3.60 N ATOM 434 NH2 ARG A 29 -12.506 11.181 -11.862 1.00 4.93 N ATOM 0 H ARG A 29 -10.746 8.365 -6.351 1.00 1.14 H new ATOM 0 HA ARG A 29 -8.721 6.825 -7.830 1.00 1.07 H new ATOM 0 HB2 ARG A 29 -9.750 9.643 -8.333 1.00 1.07 H new ATOM 0 HB3 ARG A 29 -8.250 9.048 -9.016 1.00 1.07 H new ATOM 0 HG2 ARG A 29 -9.640 8.499 -10.758 1.00 1.09 H new ATOM 0 HG3 ARG A 29 -9.816 7.027 -9.822 1.00 1.09 H new ATOM 0 HD2 ARG A 29 -12.035 7.552 -10.333 1.00 1.76 H new ATOM 0 HD3 ARG A 29 -11.868 8.213 -8.718 1.00 1.76 H new ATOM 0 HE ARG A 29 -12.105 10.376 -9.560 1.00 2.74 H new ATOM 0 HH11 ARG A 29 -11.350 8.231 -12.277 1.00 3.60 H new ATOM 0 HH12 ARG A 29 -11.816 9.441 -13.477 1.00 3.60 H new ATOM 0 HH21 ARG A 29 -12.769 11.843 -11.132 1.00 4.93 H new ATOM 0 HH22 ARG A 29 -12.602 11.440 -12.844 1.00 4.93 H new ATOM 448 N LEU A 30 -6.735 8.088 -6.772 1.00 0.96 N ATOM 449 CA LEU A 30 -5.620 8.605 -5.962 1.00 0.93 C ATOM 450 C LEU A 30 -5.667 10.135 -5.815 1.00 1.28 C ATOM 451 O LEU A 30 -5.453 10.635 -4.719 1.00 1.38 O ATOM 452 CB LEU A 30 -4.286 8.101 -6.539 1.00 0.99 C ATOM 453 CG LEU A 30 -3.024 8.658 -5.843 1.00 1.44 C ATOM 454 CD1 LEU A 30 -2.982 8.359 -4.334 1.00 2.33 C ATOM 455 CD2 LEU A 30 -1.771 8.061 -6.495 1.00 1.69 C ATOM 0 H LEU A 30 -6.438 7.501 -7.551 1.00 0.96 H new ATOM 0 HA LEU A 30 -5.717 8.219 -4.947 1.00 0.93 H new ATOM 0 HB2 LEU A 30 -4.268 7.013 -6.476 1.00 0.99 H new ATOM 0 HB3 LEU A 30 -4.244 8.360 -7.597 1.00 0.99 H new ATOM 0 HG LEU A 30 -3.056 9.741 -5.963 1.00 1.44 H new ATOM 0 HD11 LEU A 30 -2.071 8.777 -3.906 1.00 2.33 H new ATOM 0 HD12 LEU A 30 -3.850 8.807 -3.850 1.00 2.33 H new ATOM 0 HD13 LEU A 30 -2.996 7.281 -4.176 1.00 2.33 H new ATOM 0 HD21 LEU A 30 -0.882 8.455 -6.003 1.00 1.69 H new ATOM 0 HD22 LEU A 30 -1.791 6.976 -6.395 1.00 1.69 H new ATOM 0 HD23 LEU A 30 -1.749 8.327 -7.552 1.00 1.69 H new ATOM 467 N SER A 31 -6.067 10.867 -6.851 1.00 1.20 N ATOM 468 CA SER A 31 -6.229 12.327 -6.844 1.00 1.39 C ATOM 469 C SER A 31 -7.132 12.864 -5.713 1.00 1.66 C ATOM 470 O SER A 31 -7.039 14.031 -5.349 1.00 2.15 O ATOM 471 CB SER A 31 -6.765 12.782 -8.208 1.00 1.60 C ATOM 472 OG SER A 31 -8.113 12.370 -8.413 1.00 2.03 O ATOM 0 H SER A 31 -6.297 10.450 -7.753 1.00 1.20 H new ATOM 0 HA SER A 31 -5.241 12.746 -6.651 1.00 1.39 H new ATOM 0 HB2 SER A 31 -6.702 13.868 -8.279 1.00 1.60 H new ATOM 0 HB3 SER A 31 -6.136 12.374 -9.000 1.00 1.60 H new ATOM 0 HG SER A 31 -8.420 12.679 -9.291 1.00 2.03 H new ATOM 478 N GLN A 32 -8.004 12.038 -5.127 1.00 1.22 N ATOM 479 CA GLN A 32 -8.874 12.416 -4.005 1.00 1.22 C ATOM 480 C GLN A 32 -8.131 12.424 -2.657 1.00 1.50 C ATOM 481 O GLN A 32 -8.688 12.869 -1.655 1.00 1.64 O ATOM 482 CB GLN A 32 -10.094 11.477 -3.987 1.00 1.29 C ATOM 483 CG GLN A 32 -10.979 11.671 -5.238 1.00 2.15 C ATOM 484 CD GLN A 32 -11.879 10.479 -5.557 1.00 2.01 C ATOM 485 OE1 GLN A 32 -11.939 10.014 -6.690 1.00 2.76 O ATOM 486 NE2 GLN A 32 -12.602 9.930 -4.606 1.00 2.34 N ATOM 0 H GLN A 32 -8.129 11.070 -5.423 1.00 1.22 H new ATOM 0 HA GLN A 32 -9.210 13.442 -4.152 1.00 1.22 H new ATOM 0 HB2 GLN A 32 -9.756 10.442 -3.936 1.00 1.29 H new ATOM 0 HB3 GLN A 32 -10.685 11.664 -3.090 1.00 1.29 H new ATOM 0 HG2 GLN A 32 -11.601 12.555 -5.096 1.00 2.15 H new ATOM 0 HG3 GLN A 32 -10.337 11.868 -6.097 1.00 2.15 H new ATOM 0 HE21 GLN A 32 -12.565 10.303 -3.657 1.00 2.34 H new ATOM 0 HE22 GLN A 32 -13.200 9.131 -4.817 1.00 2.34 H new ATOM 495 N PHE A 33 -6.871 11.979 -2.638 1.00 1.11 N ATOM 496 CA PHE A 33 -5.979 11.958 -1.481 1.00 1.22 C ATOM 497 C PHE A 33 -4.650 12.676 -1.774 1.00 2.11 C ATOM 498 O PHE A 33 -3.676 12.480 -1.053 1.00 2.57 O ATOM 499 CB PHE A 33 -5.735 10.493 -1.077 1.00 1.27 C ATOM 500 CG PHE A 33 -6.985 9.647 -0.914 1.00 1.20 C ATOM 501 CD1 PHE A 33 -7.792 9.796 0.228 1.00 2.44 C ATOM 502 CD2 PHE A 33 -7.346 8.717 -1.909 1.00 1.80 C ATOM 503 CE1 PHE A 33 -8.945 9.005 0.382 1.00 2.52 C ATOM 504 CE2 PHE A 33 -8.496 7.926 -1.752 1.00 1.88 C ATOM 505 CZ PHE A 33 -9.293 8.063 -0.602 1.00 1.55 C ATOM 0 H PHE A 33 -6.425 11.604 -3.475 1.00 1.11 H new ATOM 0 HA PHE A 33 -6.450 12.496 -0.658 1.00 1.22 H new ATOM 0 HB2 PHE A 33 -5.097 10.028 -1.828 1.00 1.27 H new ATOM 0 HB3 PHE A 33 -5.183 10.480 -0.137 1.00 1.27 H new ATOM 0 HD1 PHE A 33 -7.527 10.517 0.987 1.00 2.44 H new ATOM 0 HD2 PHE A 33 -6.737 8.612 -2.795 1.00 1.80 H new ATOM 0 HE1 PHE A 33 -9.565 9.122 1.259 1.00 2.52 H new ATOM 0 HE2 PHE A 33 -8.768 7.212 -2.515 1.00 1.88 H new ATOM 0 HZ PHE A 33 -10.170 7.446 -0.475 1.00 1.55 H new ATOM 515 N GLN A 34 -4.563 13.468 -2.846 1.00 1.18 N ATOM 516 CA GLN A 34 -3.286 14.034 -3.295 1.00 1.34 C ATOM 517 C GLN A 34 -2.801 15.244 -2.483 1.00 1.60 C ATOM 518 O GLN A 34 -1.664 15.653 -2.641 1.00 2.16 O ATOM 519 CB GLN A 34 -3.310 14.292 -4.800 1.00 1.32 C ATOM 520 CG GLN A 34 -3.960 15.616 -5.230 1.00 1.80 C ATOM 521 CD GLN A 34 -3.831 15.811 -6.735 1.00 1.80 C ATOM 522 OE1 GLN A 34 -4.811 15.916 -7.458 1.00 2.14 O ATOM 523 NE2 GLN A 34 -2.625 15.823 -7.266 1.00 2.41 N ATOM 0 H GLN A 34 -5.363 13.733 -3.421 1.00 1.18 H new ATOM 0 HA GLN A 34 -2.529 13.276 -3.095 1.00 1.34 H new ATOM 0 HB2 GLN A 34 -2.285 14.272 -5.172 1.00 1.32 H new ATOM 0 HB3 GLN A 34 -3.841 13.472 -5.284 1.00 1.32 H new ATOM 0 HG2 GLN A 34 -5.012 15.620 -4.946 1.00 1.80 H new ATOM 0 HG3 GLN A 34 -3.486 16.447 -4.708 1.00 1.80 H new ATOM 0 HE21 GLN A 34 -1.803 15.736 -6.668 1.00 2.41 H new ATOM 0 HE22 GLN A 34 -2.513 15.920 -8.275 1.00 2.41 H new ATOM 532 N ASP A 35 -3.604 15.770 -1.559 1.00 1.56 N ATOM 533 CA ASP A 35 -3.147 16.628 -0.455 1.00 1.77 C ATOM 534 C ASP A 35 -2.184 15.883 0.503 1.00 1.57 C ATOM 535 O ASP A 35 -1.543 16.471 1.371 1.00 1.87 O ATOM 536 CB ASP A 35 -4.426 17.099 0.263 1.00 2.08 C ATOM 537 CG ASP A 35 -4.203 17.861 1.572 1.00 3.00 C ATOM 538 OD1 ASP A 35 -3.434 18.845 1.584 1.00 3.31 O ATOM 539 OD2 ASP A 35 -4.842 17.448 2.572 1.00 4.29 O ATOM 0 H ASP A 35 -4.612 15.611 -1.553 1.00 1.56 H new ATOM 0 HA ASP A 35 -2.568 17.473 -0.827 1.00 1.77 H new ATOM 0 HB2 ASP A 35 -4.990 17.737 -0.417 1.00 2.08 H new ATOM 0 HB3 ASP A 35 -5.047 16.228 0.471 1.00 2.08 H new ATOM 544 N LYS A 36 -2.097 14.553 0.383 1.00 1.08 N ATOM 545 CA LYS A 36 -1.523 13.689 1.407 1.00 1.03 C ATOM 546 C LYS A 36 -0.208 13.009 0.988 1.00 1.19 C ATOM 547 O LYS A 36 0.224 12.974 -0.171 1.00 1.29 O ATOM 548 CB LYS A 36 -2.597 12.666 1.862 1.00 1.26 C ATOM 549 CG LYS A 36 -3.970 13.252 2.153 1.00 1.54 C ATOM 550 CD LYS A 36 -3.879 14.253 3.300 1.00 1.47 C ATOM 551 CE LYS A 36 -5.303 14.544 3.710 1.00 1.75 C ATOM 552 NZ LYS A 36 -5.361 15.738 4.588 1.00 2.19 N ATOM 0 H LYS A 36 -2.428 14.047 -0.438 1.00 1.08 H new ATOM 0 HA LYS A 36 -1.237 14.318 2.250 1.00 1.03 H new ATOM 0 HB2 LYS A 36 -2.701 11.905 1.088 1.00 1.26 H new ATOM 0 HB3 LYS A 36 -2.238 12.162 2.759 1.00 1.26 H new ATOM 0 HG2 LYS A 36 -4.361 13.743 1.262 1.00 1.54 H new ATOM 0 HG3 LYS A 36 -4.667 12.455 2.410 1.00 1.54 H new ATOM 0 HD2 LYS A 36 -3.309 13.842 4.133 1.00 1.47 H new ATOM 0 HD3 LYS A 36 -3.370 15.164 2.984 1.00 1.47 H new ATOM 0 HE2 LYS A 36 -5.916 14.708 2.824 1.00 1.75 H new ATOM 0 HE3 LYS A 36 -5.720 13.682 4.231 1.00 1.75 H new ATOM 0 HZ1 LYS A 36 -6.331 15.862 4.941 1.00 2.19 H new ATOM 0 HZ2 LYS A 36 -4.714 15.610 5.392 1.00 2.19 H new ATOM 0 HZ3 LYS A 36 -5.079 16.580 4.047 1.00 2.19 H new ATOM 566 N VAL A 37 0.381 12.378 1.994 1.00 0.94 N ATOM 567 CA VAL A 37 1.351 11.295 1.904 1.00 0.85 C ATOM 568 C VAL A 37 0.507 10.031 2.036 1.00 1.17 C ATOM 569 O VAL A 37 -0.200 9.865 3.031 1.00 1.48 O ATOM 570 CB VAL A 37 2.386 11.334 3.054 1.00 0.90 C ATOM 571 CG1 VAL A 37 3.569 10.421 2.702 1.00 1.03 C ATOM 572 CG2 VAL A 37 2.866 12.755 3.376 1.00 1.15 C ATOM 0 H VAL A 37 0.180 12.627 2.963 1.00 0.94 H new ATOM 0 HA VAL A 37 1.923 11.357 0.978 1.00 0.85 H new ATOM 0 HB VAL A 37 1.895 10.971 3.957 1.00 0.90 H new ATOM 0 HG11 VAL A 37 4.301 10.446 3.510 1.00 1.03 H new ATOM 0 HG12 VAL A 37 3.213 9.400 2.566 1.00 1.03 H new ATOM 0 HG13 VAL A 37 4.035 10.768 1.780 1.00 1.03 H new ATOM 0 HG21 VAL A 37 3.590 12.719 4.190 1.00 1.15 H new ATOM 0 HG22 VAL A 37 3.334 13.190 2.493 1.00 1.15 H new ATOM 0 HG23 VAL A 37 2.015 13.368 3.674 1.00 1.15 H new ATOM 582 N VAL A 38 0.530 9.193 1.001 1.00 0.65 N ATOM 583 CA VAL A 38 -0.284 7.979 0.896 1.00 0.63 C ATOM 584 C VAL A 38 0.651 6.786 0.732 1.00 0.90 C ATOM 585 O VAL A 38 1.537 6.793 -0.132 1.00 0.77 O ATOM 586 CB VAL A 38 -1.292 8.045 -0.278 1.00 0.75 C ATOM 587 CG1 VAL A 38 -2.192 6.796 -0.316 1.00 1.00 C ATOM 588 CG2 VAL A 38 -2.186 9.295 -0.189 1.00 1.18 C ATOM 0 H VAL A 38 1.130 9.342 0.190 1.00 0.65 H new ATOM 0 HA VAL A 38 -0.877 7.878 1.805 1.00 0.63 H new ATOM 0 HB VAL A 38 -0.698 8.093 -1.191 1.00 0.75 H new ATOM 0 HG11 VAL A 38 -2.888 6.874 -1.151 1.00 1.00 H new ATOM 0 HG12 VAL A 38 -1.575 5.906 -0.440 1.00 1.00 H new ATOM 0 HG13 VAL A 38 -2.752 6.722 0.616 1.00 1.00 H new ATOM 0 HG21 VAL A 38 -2.880 9.307 -1.029 1.00 1.18 H new ATOM 0 HG22 VAL A 38 -2.748 9.275 0.745 1.00 1.18 H new ATOM 0 HG23 VAL A 38 -1.564 10.190 -0.219 1.00 1.18 H new ATOM 598 N LEU A 39 0.442 5.776 1.578 1.00 0.58 N ATOM 599 CA LEU A 39 1.110 4.480 1.498 1.00 0.56 C ATOM 600 C LEU A 39 0.160 3.493 0.817 1.00 1.05 C ATOM 601 O LEU A 39 -0.910 3.180 1.346 1.00 1.13 O ATOM 602 CB LEU A 39 1.509 4.005 2.909 1.00 0.61 C ATOM 603 CG LEU A 39 2.806 4.634 3.460 1.00 0.82 C ATOM 604 CD1 LEU A 39 2.719 6.153 3.696 1.00 1.98 C ATOM 605 CD2 LEU A 39 3.173 3.935 4.776 1.00 1.86 C ATOM 0 H LEU A 39 -0.214 5.840 2.357 1.00 0.58 H new ATOM 0 HA LEU A 39 2.026 4.554 0.911 1.00 0.56 H new ATOM 0 HB2 LEU A 39 0.693 4.228 3.597 1.00 0.61 H new ATOM 0 HB3 LEU A 39 1.625 2.921 2.893 1.00 0.61 H new ATOM 0 HG LEU A 39 3.572 4.490 2.698 1.00 0.82 H new ATOM 0 HD11 LEU A 39 3.671 6.516 4.083 1.00 1.98 H new ATOM 0 HD12 LEU A 39 2.495 6.655 2.755 1.00 1.98 H new ATOM 0 HD13 LEU A 39 1.930 6.365 4.417 1.00 1.98 H new ATOM 0 HD21 LEU A 39 4.089 4.370 5.176 1.00 1.86 H new ATOM 0 HD22 LEU A 39 2.364 4.066 5.495 1.00 1.86 H new ATOM 0 HD23 LEU A 39 3.327 2.872 4.593 1.00 1.86 H new ATOM 617 N LEU A 40 0.558 3.014 -0.363 1.00 0.58 N ATOM 618 CA LEU A 40 -0.188 2.029 -1.138 1.00 0.62 C ATOM 619 C LEU A 40 0.474 0.664 -0.943 1.00 0.94 C ATOM 620 O LEU A 40 1.619 0.482 -1.354 1.00 1.07 O ATOM 621 CB LEU A 40 -0.211 2.479 -2.614 1.00 0.75 C ATOM 622 CG LEU A 40 -1.308 1.804 -3.461 1.00 0.90 C ATOM 623 CD1 LEU A 40 -2.693 2.287 -3.018 1.00 1.94 C ATOM 624 CD2 LEU A 40 -1.137 2.169 -4.938 1.00 2.09 C ATOM 0 H LEU A 40 1.425 3.308 -0.813 1.00 0.58 H new ATOM 0 HA LEU A 40 -1.223 1.946 -0.807 1.00 0.62 H new ATOM 0 HB2 LEU A 40 -0.352 3.559 -2.651 1.00 0.75 H new ATOM 0 HB3 LEU A 40 0.760 2.268 -3.062 1.00 0.75 H new ATOM 0 HG LEU A 40 -1.220 0.726 -3.324 1.00 0.90 H new ATOM 0 HD11 LEU A 40 -3.458 1.803 -3.624 1.00 1.94 H new ATOM 0 HD12 LEU A 40 -2.848 2.035 -1.969 1.00 1.94 H new ATOM 0 HD13 LEU A 40 -2.759 3.368 -3.145 1.00 1.94 H new ATOM 0 HD21 LEU A 40 -1.918 1.686 -5.525 1.00 2.09 H new ATOM 0 HD22 LEU A 40 -1.210 3.250 -5.056 1.00 2.09 H new ATOM 0 HD23 LEU A 40 -0.161 1.831 -5.286 1.00 2.09 H new ATOM 636 N PHE A 41 -0.214 -0.276 -0.293 1.00 0.72 N ATOM 637 CA PHE A 41 0.277 -1.632 -0.053 1.00 0.72 C ATOM 638 C PHE A 41 -0.524 -2.625 -0.892 1.00 1.47 C ATOM 639 O PHE A 41 -1.759 -2.652 -0.822 1.00 1.78 O ATOM 640 CB PHE A 41 0.171 -1.956 1.448 1.00 0.76 C ATOM 641 CG PHE A 41 0.538 -3.379 1.845 1.00 0.93 C ATOM 642 CD1 PHE A 41 1.613 -4.058 1.235 1.00 1.67 C ATOM 643 CD2 PHE A 41 -0.211 -4.035 2.845 1.00 2.50 C ATOM 644 CE1 PHE A 41 1.911 -5.384 1.590 1.00 1.53 C ATOM 645 CE2 PHE A 41 0.096 -5.358 3.211 1.00 2.66 C ATOM 646 CZ PHE A 41 1.152 -6.034 2.577 1.00 1.31 C ATOM 0 H PHE A 41 -1.146 -0.112 0.088 1.00 0.72 H new ATOM 0 HA PHE A 41 1.324 -1.707 -0.348 1.00 0.72 H new ATOM 0 HB2 PHE A 41 0.816 -1.268 1.995 1.00 0.76 H new ATOM 0 HB3 PHE A 41 -0.851 -1.761 1.772 1.00 0.76 H new ATOM 0 HD1 PHE A 41 2.211 -3.555 0.490 1.00 1.67 H new ATOM 0 HD2 PHE A 41 -1.025 -3.518 3.332 1.00 2.50 H new ATOM 0 HE1 PHE A 41 2.724 -5.904 1.104 1.00 1.53 H new ATOM 0 HE2 PHE A 41 -0.480 -5.854 3.979 1.00 2.66 H new ATOM 0 HZ PHE A 41 1.380 -7.054 2.849 1.00 1.31 H new ATOM 656 N PHE A 42 0.189 -3.450 -1.666 1.00 0.73 N ATOM 657 CA PHE A 42 -0.413 -4.503 -2.475 1.00 0.72 C ATOM 658 C PHE A 42 -0.209 -5.858 -1.795 1.00 1.78 C ATOM 659 O PHE A 42 0.930 -6.277 -1.578 1.00 2.17 O ATOM 660 CB PHE A 42 0.201 -4.502 -3.877 1.00 0.77 C ATOM 661 CG PHE A 42 -0.176 -3.305 -4.725 1.00 0.87 C ATOM 662 CD1 PHE A 42 0.533 -2.098 -4.585 1.00 2.17 C ATOM 663 CD2 PHE A 42 -1.191 -3.407 -5.696 1.00 1.69 C ATOM 664 CE1 PHE A 42 0.273 -1.023 -5.447 1.00 2.23 C ATOM 665 CE2 PHE A 42 -1.468 -2.320 -6.545 1.00 1.54 C ATOM 666 CZ PHE A 42 -0.729 -1.129 -6.428 1.00 1.06 C ATOM 0 H PHE A 42 1.205 -3.402 -1.746 1.00 0.73 H new ATOM 0 HA PHE A 42 -1.483 -4.319 -2.569 1.00 0.72 H new ATOM 0 HB2 PHE A 42 1.286 -4.539 -3.785 1.00 0.77 H new ATOM 0 HB3 PHE A 42 -0.106 -5.410 -4.395 1.00 0.77 H new ATOM 0 HD1 PHE A 42 1.280 -1.999 -3.811 1.00 2.17 H new ATOM 0 HD2 PHE A 42 -1.758 -4.322 -5.789 1.00 1.69 H new ATOM 0 HE1 PHE A 42 0.844 -0.111 -5.357 1.00 2.23 H new ATOM 0 HE2 PHE A 42 -2.249 -2.400 -7.287 1.00 1.54 H new ATOM 0 HZ PHE A 42 -0.930 -0.299 -7.089 1.00 1.06 H new ATOM 676 N GLY A 43 -1.306 -6.530 -1.435 1.00 0.67 N ATOM 677 CA GLY A 43 -1.297 -7.908 -0.930 1.00 0.72 C ATOM 678 C GLY A 43 -2.519 -8.729 -1.348 1.00 0.82 C ATOM 679 O GLY A 43 -3.512 -8.195 -1.838 1.00 0.89 O ATOM 0 H GLY A 43 -2.241 -6.126 -1.487 1.00 0.67 H new ATOM 0 HA2 GLY A 43 -0.396 -8.409 -1.285 1.00 0.72 H new ATOM 0 HA3 GLY A 43 -1.241 -7.885 0.158 1.00 0.72 H new ATOM 683 N PHE A 44 -2.460 -10.029 -1.068 1.00 1.04 N ATOM 684 CA PHE A 44 -3.639 -10.889 -0.959 1.00 1.00 C ATOM 685 C PHE A 44 -4.127 -10.887 0.503 1.00 1.73 C ATOM 686 O PHE A 44 -3.293 -10.819 1.421 1.00 2.51 O ATOM 687 CB PHE A 44 -3.233 -12.287 -1.456 1.00 1.09 C ATOM 688 CG PHE A 44 -4.332 -13.324 -1.598 1.00 1.28 C ATOM 689 CD1 PHE A 44 -5.505 -13.023 -2.317 1.00 2.97 C ATOM 690 CD2 PHE A 44 -4.143 -14.630 -1.103 1.00 2.17 C ATOM 691 CE1 PHE A 44 -6.475 -14.012 -2.534 1.00 3.95 C ATOM 692 CE2 PHE A 44 -5.113 -15.622 -1.321 1.00 3.09 C ATOM 693 CZ PHE A 44 -6.282 -15.314 -2.041 1.00 3.75 C ATOM 0 H PHE A 44 -1.582 -10.522 -0.908 1.00 1.04 H new ATOM 0 HA PHE A 44 -4.471 -10.536 -1.568 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -2.751 -12.172 -2.427 1.00 1.09 H new ATOM 0 HB3 PHE A 44 -2.483 -12.683 -0.772 1.00 1.09 H new ATOM 0 HD1 PHE A 44 -5.658 -12.026 -2.703 1.00 2.97 H new ATOM 0 HD2 PHE A 44 -3.246 -14.870 -0.552 1.00 2.17 H new ATOM 0 HE1 PHE A 44 -7.374 -13.772 -3.082 1.00 3.95 H new ATOM 0 HE2 PHE A 44 -4.962 -16.620 -0.937 1.00 3.09 H new ATOM 0 HZ PHE A 44 -7.028 -16.075 -2.214 1.00 3.75 H new ATOM 703 N THR A 45 -5.442 -10.964 0.765 1.00 1.04 N ATOM 704 CA THR A 45 -5.938 -11.241 2.132 1.00 1.15 C ATOM 705 C THR A 45 -5.586 -12.679 2.521 1.00 1.66 C ATOM 706 O THR A 45 -5.172 -13.478 1.684 1.00 3.20 O ATOM 707 CB THR A 45 -7.434 -10.966 2.318 1.00 1.26 C ATOM 708 OG1 THR A 45 -8.185 -11.837 1.521 1.00 1.83 O ATOM 709 CG2 THR A 45 -7.816 -9.508 2.059 1.00 1.46 C ATOM 0 H THR A 45 -6.173 -10.841 0.065 1.00 1.04 H new ATOM 0 HA THR A 45 -5.436 -10.542 2.801 1.00 1.15 H new ATOM 0 HB THR A 45 -7.665 -11.151 3.367 1.00 1.26 H new ATOM 0 HG1 THR A 45 -7.893 -11.761 0.588 1.00 1.83 H new ATOM 0 HG21 THR A 45 -8.888 -9.381 2.208 1.00 1.46 H new ATOM 0 HG22 THR A 45 -7.275 -8.862 2.750 1.00 1.46 H new ATOM 0 HG23 THR A 45 -7.558 -9.241 1.034 1.00 1.46 H new ATOM 717 N ARG A 46 -5.672 -13.036 3.809 1.00 1.63 N ATOM 718 CA ARG A 46 -5.467 -14.410 4.310 1.00 1.95 C ATOM 719 C ARG A 46 -3.995 -14.881 4.261 1.00 1.97 C ATOM 720 O ARG A 46 -3.659 -15.861 4.923 1.00 2.82 O ATOM 721 CB ARG A 46 -6.395 -15.392 3.555 1.00 2.40 C ATOM 722 CG ARG A 46 -6.709 -16.688 4.318 1.00 2.94 C ATOM 723 CD ARG A 46 -7.558 -17.616 3.444 1.00 3.77 C ATOM 724 NE ARG A 46 -7.902 -18.859 4.162 1.00 4.64 N ATOM 725 CZ ARG A 46 -7.944 -20.094 3.670 1.00 5.47 C ATOM 726 NH1 ARG A 46 -7.640 -20.363 2.416 1.00 5.77 N ATOM 727 NH2 ARG A 46 -8.305 -21.093 4.444 1.00 6.48 N ATOM 0 H ARG A 46 -5.890 -12.369 4.549 1.00 1.63 H new ATOM 0 HA ARG A 46 -5.730 -14.399 5.368 1.00 1.95 H new ATOM 0 HB2 ARG A 46 -7.332 -14.884 3.327 1.00 2.40 H new ATOM 0 HB3 ARG A 46 -5.932 -15.649 2.602 1.00 2.40 H new ATOM 0 HG2 ARG A 46 -5.782 -17.188 4.600 1.00 2.94 H new ATOM 0 HG3 ARG A 46 -7.241 -16.457 5.241 1.00 2.94 H new ATOM 0 HD2 ARG A 46 -8.471 -17.102 3.143 1.00 3.77 H new ATOM 0 HD3 ARG A 46 -7.014 -17.859 2.531 1.00 3.77 H new ATOM 0 HE ARG A 46 -8.134 -18.759 5.150 1.00 4.64 H new ATOM 0 HH11 ARG A 46 -7.361 -19.611 1.786 1.00 5.77 H new ATOM 0 HH12 ARG A 46 -7.684 -21.323 2.075 1.00 5.77 H new ATOM 0 HH21 ARG A 46 -8.552 -20.920 5.418 1.00 6.48 H new ATOM 0 HH22 ARG A 46 -8.338 -22.041 4.070 1.00 6.48 H new ATOM 741 N CYS A 47 -3.096 -14.204 3.531 1.00 1.38 N ATOM 742 CA CYS A 47 -1.650 -14.459 3.580 1.00 1.60 C ATOM 743 C CYS A 47 -1.122 -14.373 5.032 1.00 1.69 C ATOM 744 O CYS A 47 -1.547 -13.485 5.776 1.00 2.40 O ATOM 745 CB CYS A 47 -0.913 -13.524 2.605 1.00 2.41 C ATOM 746 SG CYS A 47 -0.788 -14.377 1.007 1.00 4.25 S ATOM 0 H CYS A 47 -3.355 -13.458 2.885 1.00 1.38 H new ATOM 0 HA CYS A 47 -1.450 -15.478 3.249 1.00 1.60 H new ATOM 0 HB2 CYS A 47 -1.453 -12.584 2.495 1.00 2.41 H new ATOM 0 HB3 CYS A 47 0.078 -13.279 2.986 1.00 2.41 H new ATOM 0 HG CYS A 47 0.049 -13.743 0.241 1.00 4.25 H new ATOM 752 N PRO A 48 -0.216 -15.288 5.431 1.00 1.79 N ATOM 753 CA PRO A 48 -0.254 -15.910 6.756 1.00 2.49 C ATOM 754 C PRO A 48 0.191 -15.031 7.926 1.00 2.48 C ATOM 755 O PRO A 48 -0.226 -15.310 9.042 1.00 2.77 O ATOM 756 CB PRO A 48 0.618 -17.168 6.650 1.00 3.20 C ATOM 757 CG PRO A 48 1.559 -16.860 5.489 1.00 3.03 C ATOM 758 CD PRO A 48 0.653 -16.065 4.557 1.00 2.34 C ATOM 0 HA PRO A 48 -1.295 -16.121 7.002 1.00 2.49 H new ATOM 0 HB2 PRO A 48 1.168 -17.353 7.573 1.00 3.20 H new ATOM 0 HB3 PRO A 48 0.017 -18.056 6.454 1.00 3.20 H new ATOM 0 HG2 PRO A 48 2.426 -16.282 5.808 1.00 3.03 H new ATOM 0 HG3 PRO A 48 1.937 -17.767 5.017 1.00 3.03 H new ATOM 0 HD2 PRO A 48 1.235 -15.415 3.903 1.00 2.34 H new ATOM 0 HD3 PRO A 48 0.073 -16.727 3.914 1.00 2.34 H new ATOM 766 N ASP A 49 0.985 -13.978 7.696 1.00 1.95 N ATOM 767 CA ASP A 49 1.260 -12.958 8.727 1.00 2.07 C ATOM 768 C ASP A 49 1.813 -11.677 8.093 1.00 1.70 C ATOM 769 O ASP A 49 1.406 -10.562 8.390 1.00 1.80 O ATOM 770 CB ASP A 49 2.223 -13.476 9.814 1.00 2.66 C ATOM 771 CG ASP A 49 2.092 -12.704 11.140 1.00 3.97 C ATOM 772 OD1 ASP A 49 1.390 -11.666 11.162 1.00 5.02 O ATOM 773 OD2 ASP A 49 2.687 -13.192 12.123 1.00 4.58 O ATOM 0 H ASP A 49 1.451 -13.806 6.805 1.00 1.95 H new ATOM 0 HA ASP A 49 0.310 -12.731 9.211 1.00 2.07 H new ATOM 0 HB2 ASP A 49 2.028 -14.533 9.993 1.00 2.66 H new ATOM 0 HB3 ASP A 49 3.248 -13.398 9.453 1.00 2.66 H new ATOM 778 N VAL A 50 2.673 -11.864 7.095 1.00 1.44 N ATOM 779 CA VAL A 50 3.279 -10.798 6.288 1.00 1.18 C ATOM 780 C VAL A 50 2.309 -9.683 5.813 1.00 1.11 C ATOM 781 O VAL A 50 2.707 -8.521 5.767 1.00 1.30 O ATOM 782 CB VAL A 50 4.069 -11.435 5.127 1.00 1.38 C ATOM 783 CG1 VAL A 50 3.177 -11.937 3.977 1.00 1.81 C ATOM 784 CG2 VAL A 50 5.135 -10.464 4.617 1.00 1.61 C ATOM 0 H VAL A 50 2.981 -12.794 6.813 1.00 1.44 H new ATOM 0 HA VAL A 50 3.957 -10.254 6.945 1.00 1.18 H new ATOM 0 HB VAL A 50 4.555 -12.324 5.530 1.00 1.38 H new ATOM 0 HG11 VAL A 50 3.801 -12.372 3.196 1.00 1.81 H new ATOM 0 HG12 VAL A 50 2.488 -12.692 4.354 1.00 1.81 H new ATOM 0 HG13 VAL A 50 2.610 -11.102 3.565 1.00 1.81 H new ATOM 0 HG21 VAL A 50 5.686 -10.926 3.797 1.00 1.61 H new ATOM 0 HG22 VAL A 50 4.656 -9.551 4.263 1.00 1.61 H new ATOM 0 HG23 VAL A 50 5.824 -10.222 5.426 1.00 1.61 H new ATOM 794 N CYS A 51 1.036 -9.992 5.517 1.00 1.04 N ATOM 795 CA CYS A 51 0.000 -8.976 5.274 1.00 1.16 C ATOM 796 C CYS A 51 -0.452 -8.232 6.556 1.00 1.46 C ATOM 797 O CYS A 51 -0.284 -7.009 6.592 1.00 1.60 O ATOM 798 CB CYS A 51 -1.148 -9.582 4.449 1.00 1.39 C ATOM 799 SG CYS A 51 -0.542 -9.895 2.769 1.00 1.90 S ATOM 0 H CYS A 51 0.697 -10.951 5.440 1.00 1.04 H new ATOM 0 HA CYS A 51 0.440 -8.180 4.673 1.00 1.16 H new ATOM 0 HB2 CYS A 51 -1.495 -10.509 4.906 1.00 1.39 H new ATOM 0 HB3 CYS A 51 -1.998 -8.901 4.425 1.00 1.39 H new ATOM 0 HG CYS A 51 -1.530 -10.277 2.015 1.00 1.90 H new ATOM 805 N PRO A 52 -1.000 -8.904 7.593 1.00 1.47 N ATOM 806 CA PRO A 52 -1.381 -8.244 8.837 1.00 1.73 C ATOM 807 C PRO A 52 -0.234 -7.485 9.527 1.00 1.85 C ATOM 808 O PRO A 52 -0.466 -6.341 9.912 1.00 1.97 O ATOM 809 CB PRO A 52 -2.009 -9.321 9.730 1.00 1.93 C ATOM 810 CG PRO A 52 -1.710 -10.649 9.056 1.00 1.91 C ATOM 811 CD PRO A 52 -1.485 -10.280 7.593 1.00 1.61 C ATOM 0 HA PRO A 52 -2.097 -7.451 8.623 1.00 1.73 H new ATOM 0 HB2 PRO A 52 -1.587 -9.290 10.735 1.00 1.93 H new ATOM 0 HB3 PRO A 52 -3.083 -9.167 9.830 1.00 1.93 H new ATOM 0 HG2 PRO A 52 -0.830 -11.126 9.487 1.00 1.91 H new ATOM 0 HG3 PRO A 52 -2.538 -11.349 9.168 1.00 1.91 H new ATOM 0 HD2 PRO A 52 -0.760 -10.949 7.129 1.00 1.61 H new ATOM 0 HD3 PRO A 52 -2.410 -10.367 7.022 1.00 1.61 H new ATOM 819 N THR A 53 0.993 -8.032 9.631 1.00 1.54 N ATOM 820 CA THR A 53 2.116 -7.311 10.268 1.00 1.65 C ATOM 821 C THR A 53 2.506 -6.035 9.537 1.00 1.72 C ATOM 822 O THR A 53 2.769 -5.022 10.179 1.00 1.61 O ATOM 823 CB THR A 53 3.337 -8.203 10.509 1.00 1.71 C ATOM 824 OG1 THR A 53 4.144 -7.535 11.456 1.00 2.92 O ATOM 825 CG2 THR A 53 4.151 -8.533 9.259 1.00 2.37 C ATOM 0 H THR A 53 1.232 -8.962 9.286 1.00 1.54 H new ATOM 0 HA THR A 53 1.735 -7.011 11.244 1.00 1.65 H new ATOM 0 HB THR A 53 2.983 -9.172 10.861 1.00 1.71 H new ATOM 0 HG1 THR A 53 4.813 -6.992 10.990 1.00 2.92 H new ATOM 0 HG21 THR A 53 4.994 -9.168 9.531 1.00 2.37 H new ATOM 0 HG22 THR A 53 3.519 -9.056 8.541 1.00 2.37 H new ATOM 0 HG23 THR A 53 4.522 -7.610 8.812 1.00 2.37 H new ATOM 833 N THR A 54 2.433 -6.022 8.199 1.00 1.49 N ATOM 834 CA THR A 54 2.642 -4.793 7.403 1.00 1.43 C ATOM 835 C THR A 54 1.685 -3.698 7.868 1.00 1.47 C ATOM 836 O THR A 54 2.112 -2.575 8.125 1.00 1.33 O ATOM 837 CB THR A 54 2.518 -5.045 5.894 1.00 1.64 C ATOM 838 OG1 THR A 54 3.541 -5.915 5.478 1.00 1.84 O ATOM 839 CG2 THR A 54 2.706 -3.767 5.073 1.00 1.63 C ATOM 0 H THR A 54 2.230 -6.850 7.638 1.00 1.49 H new ATOM 0 HA THR A 54 3.665 -4.458 7.572 1.00 1.43 H new ATOM 0 HB THR A 54 1.520 -5.453 5.732 1.00 1.64 H new ATOM 0 HG1 THR A 54 3.269 -6.842 5.642 1.00 1.84 H new ATOM 0 HG21 THR A 54 2.609 -3.998 4.012 1.00 1.63 H new ATOM 0 HG22 THR A 54 1.947 -3.038 5.356 1.00 1.63 H new ATOM 0 HG23 THR A 54 3.696 -3.353 5.265 1.00 1.63 H new ATOM 847 N LEU A 55 0.404 -4.025 8.058 1.00 1.36 N ATOM 848 CA LEU A 55 -0.604 -3.081 8.549 1.00 1.32 C ATOM 849 C LEU A 55 -0.402 -2.708 10.029 1.00 1.51 C ATOM 850 O LEU A 55 -0.793 -1.608 10.418 1.00 1.71 O ATOM 851 CB LEU A 55 -2.004 -3.688 8.338 1.00 1.38 C ATOM 852 CG LEU A 55 -2.380 -4.019 6.881 1.00 1.26 C ATOM 853 CD1 LEU A 55 -3.704 -4.802 6.875 1.00 1.92 C ATOM 854 CD2 LEU A 55 -2.503 -2.742 6.038 1.00 1.53 C ATOM 0 H LEU A 55 0.035 -4.958 7.874 1.00 1.36 H new ATOM 0 HA LEU A 55 -0.500 -2.157 7.981 1.00 1.32 H new ATOM 0 HB2 LEU A 55 -2.076 -4.602 8.928 1.00 1.38 H new ATOM 0 HB3 LEU A 55 -2.744 -2.993 8.735 1.00 1.38 H new ATOM 0 HG LEU A 55 -1.592 -4.627 6.437 1.00 1.26 H new ATOM 0 HD11 LEU A 55 -3.980 -5.042 5.848 1.00 1.92 H new ATOM 0 HD12 LEU A 55 -3.584 -5.724 7.443 1.00 1.92 H new ATOM 0 HD13 LEU A 55 -4.487 -4.195 7.329 1.00 1.92 H new ATOM 0 HD21 LEU A 55 -2.769 -3.006 5.014 1.00 1.53 H new ATOM 0 HD22 LEU A 55 -3.277 -2.100 6.460 1.00 1.53 H new ATOM 0 HD23 LEU A 55 -1.551 -2.212 6.040 1.00 1.53 H new ATOM 866 N LEU A 56 0.210 -3.588 10.835 1.00 1.18 N ATOM 867 CA LEU A 56 0.619 -3.313 12.216 1.00 1.07 C ATOM 868 C LEU A 56 1.793 -2.329 12.242 1.00 1.32 C ATOM 869 O LEU A 56 1.747 -1.354 12.987 1.00 1.39 O ATOM 870 CB LEU A 56 0.944 -4.648 12.922 1.00 1.09 C ATOM 871 CG LEU A 56 1.185 -4.546 14.445 1.00 1.04 C ATOM 872 CD1 LEU A 56 0.864 -5.889 15.115 1.00 1.42 C ATOM 873 CD2 LEU A 56 2.636 -4.177 14.799 1.00 1.39 C ATOM 0 H LEU A 56 0.439 -4.535 10.534 1.00 1.18 H new ATOM 0 HA LEU A 56 -0.195 -2.835 12.762 1.00 1.07 H new ATOM 0 HB2 LEU A 56 0.123 -5.343 12.746 1.00 1.09 H new ATOM 0 HB3 LEU A 56 1.831 -5.079 12.458 1.00 1.09 H new ATOM 0 HG LEU A 56 0.531 -3.752 14.806 1.00 1.04 H new ATOM 0 HD11 LEU A 56 1.036 -5.810 16.188 1.00 1.42 H new ATOM 0 HD12 LEU A 56 -0.179 -6.146 14.933 1.00 1.42 H new ATOM 0 HD13 LEU A 56 1.507 -6.665 14.700 1.00 1.42 H new ATOM 0 HD21 LEU A 56 2.743 -4.120 15.882 1.00 1.39 H new ATOM 0 HD22 LEU A 56 3.311 -4.938 14.407 1.00 1.39 H new ATOM 0 HD23 LEU A 56 2.883 -3.211 14.359 1.00 1.39 H new ATOM 885 N ALA A 57 2.830 -2.552 11.435 1.00 1.06 N ATOM 886 CA ALA A 57 3.986 -1.673 11.309 1.00 1.03 C ATOM 887 C ALA A 57 3.579 -0.280 10.804 1.00 1.19 C ATOM 888 O ALA A 57 3.838 0.713 11.487 1.00 1.40 O ATOM 889 CB ALA A 57 5.003 -2.358 10.395 1.00 1.11 C ATOM 0 H ALA A 57 2.888 -3.374 10.834 1.00 1.06 H new ATOM 0 HA ALA A 57 4.442 -1.505 12.285 1.00 1.03 H new ATOM 0 HB1 ALA A 57 5.880 -1.720 10.284 1.00 1.11 H new ATOM 0 HB2 ALA A 57 5.301 -3.311 10.832 1.00 1.11 H new ATOM 0 HB3 ALA A 57 4.554 -2.532 9.417 1.00 1.11 H new ATOM 895 N LEU A 58 2.855 -0.215 9.679 1.00 1.01 N ATOM 896 CA LEU A 58 2.218 0.998 9.168 1.00 1.08 C ATOM 897 C LEU A 58 1.405 1.721 10.239 1.00 1.42 C ATOM 898 O LEU A 58 1.608 2.919 10.440 1.00 1.57 O ATOM 899 CB LEU A 58 1.319 0.601 7.981 1.00 1.15 C ATOM 900 CG LEU A 58 2.006 0.579 6.605 1.00 1.45 C ATOM 901 CD1 LEU A 58 3.417 -0.028 6.502 1.00 2.21 C ATOM 902 CD2 LEU A 58 1.063 -0.060 5.574 1.00 2.73 C ATOM 0 H LEU A 58 2.694 -1.029 9.086 1.00 1.01 H new ATOM 0 HA LEU A 58 2.992 1.696 8.849 1.00 1.08 H new ATOM 0 HB2 LEU A 58 0.906 -0.388 8.177 1.00 1.15 H new ATOM 0 HB3 LEU A 58 0.479 1.294 7.937 1.00 1.15 H new ATOM 0 HG LEU A 58 2.196 1.632 6.398 1.00 1.45 H new ATOM 0 HD11 LEU A 58 3.764 0.030 5.470 1.00 2.21 H new ATOM 0 HD12 LEU A 58 4.099 0.526 7.146 1.00 2.21 H new ATOM 0 HD13 LEU A 58 3.388 -1.071 6.817 1.00 2.21 H new ATOM 0 HD21 LEU A 58 1.548 -0.076 4.598 1.00 2.73 H new ATOM 0 HD22 LEU A 58 0.827 -1.079 5.879 1.00 2.73 H new ATOM 0 HD23 LEU A 58 0.143 0.522 5.512 1.00 2.73 H new ATOM 914 N LYS A 59 0.503 1.039 10.957 1.00 1.00 N ATOM 915 CA LYS A 59 -0.322 1.738 11.945 1.00 1.03 C ATOM 916 C LYS A 59 0.487 2.210 13.158 1.00 1.15 C ATOM 917 O LYS A 59 0.332 3.357 13.565 1.00 1.12 O ATOM 918 CB LYS A 59 -1.612 0.959 12.252 1.00 1.17 C ATOM 919 CG LYS A 59 -1.595 -0.158 13.307 1.00 1.20 C ATOM 920 CD LYS A 59 -1.582 0.391 14.739 1.00 1.30 C ATOM 921 CE LYS A 59 -2.454 -0.398 15.720 1.00 1.39 C ATOM 922 NZ LYS A 59 -2.900 0.475 16.839 1.00 1.74 N ATOM 0 H LYS A 59 0.330 0.037 10.876 1.00 1.00 H new ATOM 0 HA LYS A 59 -0.671 2.673 11.507 1.00 1.03 H new ATOM 0 HB2 LYS A 59 -2.365 1.685 12.559 1.00 1.17 H new ATOM 0 HB3 LYS A 59 -1.956 0.518 11.317 1.00 1.17 H new ATOM 0 HG2 LYS A 59 -2.470 -0.794 13.173 1.00 1.20 H new ATOM 0 HG3 LYS A 59 -0.717 -0.786 13.153 1.00 1.20 H new ATOM 0 HD2 LYS A 59 -0.555 0.396 15.105 1.00 1.30 H new ATOM 0 HD3 LYS A 59 -1.919 1.427 14.722 1.00 1.30 H new ATOM 0 HE2 LYS A 59 -3.321 -0.804 15.199 1.00 1.39 H new ATOM 0 HE3 LYS A 59 -1.893 -1.246 16.114 1.00 1.39 H new ATOM 0 HZ1 LYS A 59 -3.584 -0.040 17.430 1.00 1.74 H new ATOM 0 HZ2 LYS A 59 -2.079 0.746 17.417 1.00 1.74 H new ATOM 0 HZ3 LYS A 59 -3.350 1.330 16.454 1.00 1.74 H new ATOM 936 N ARG A 60 1.418 1.395 13.666 1.00 1.12 N ATOM 937 CA ARG A 60 2.280 1.789 14.787 1.00 1.21 C ATOM 938 C ARG A 60 3.174 2.985 14.449 1.00 1.42 C ATOM 939 O ARG A 60 3.464 3.771 15.351 1.00 1.41 O ATOM 940 CB ARG A 60 3.162 0.632 15.258 1.00 1.33 C ATOM 941 CG ARG A 60 2.443 -0.421 16.110 1.00 1.61 C ATOM 942 CD ARG A 60 3.453 -1.247 16.924 1.00 1.75 C ATOM 943 NE ARG A 60 4.582 -1.733 16.111 1.00 2.87 N ATOM 944 CZ ARG A 60 5.780 -2.109 16.552 1.00 3.94 C ATOM 945 NH1 ARG A 60 6.088 -2.090 17.829 1.00 3.81 N ATOM 946 NH2 ARG A 60 6.696 -2.536 15.717 1.00 5.76 N ATOM 0 H ARG A 60 1.595 0.453 13.316 1.00 1.12 H new ATOM 0 HA ARG A 60 1.600 2.078 15.589 1.00 1.21 H new ATOM 0 HB2 ARG A 60 3.590 0.141 14.384 1.00 1.33 H new ATOM 0 HB3 ARG A 60 3.993 1.039 15.834 1.00 1.33 H new ATOM 0 HG2 ARG A 60 1.740 0.068 16.784 1.00 1.61 H new ATOM 0 HG3 ARG A 60 1.861 -1.081 15.466 1.00 1.61 H new ATOM 0 HD2 ARG A 60 3.837 -0.638 17.743 1.00 1.75 H new ATOM 0 HD3 ARG A 60 2.941 -2.099 17.372 1.00 1.75 H new ATOM 0 HE ARG A 60 4.429 -1.787 15.104 1.00 2.87 H new ATOM 0 HH11 ARG A 60 5.400 -1.781 18.515 1.00 3.81 H new ATOM 0 HH12 ARG A 60 7.016 -2.385 18.134 1.00 3.81 H new ATOM 0 HH21 ARG A 60 6.494 -2.583 14.718 1.00 5.76 H new ATOM 0 HH22 ARG A 60 7.611 -2.822 16.066 1.00 5.76 H new ATOM 960 N ALA A 61 3.605 3.142 13.193 1.00 1.07 N ATOM 961 CA ALA A 61 4.333 4.339 12.776 1.00 1.07 C ATOM 962 C ALA A 61 3.414 5.572 12.814 1.00 1.17 C ATOM 963 O ALA A 61 3.714 6.565 13.477 1.00 1.34 O ATOM 964 CB ALA A 61 4.934 4.091 11.383 1.00 1.10 C ATOM 0 H ALA A 61 3.462 2.456 12.452 1.00 1.07 H new ATOM 0 HA ALA A 61 5.150 4.546 13.467 1.00 1.07 H new ATOM 0 HB1 ALA A 61 5.480 4.977 11.059 1.00 1.10 H new ATOM 0 HB2 ALA A 61 5.615 3.241 11.426 1.00 1.10 H new ATOM 0 HB3 ALA A 61 4.134 3.879 10.674 1.00 1.10 H new ATOM 970 N TYR A 62 2.248 5.472 12.173 1.00 0.90 N ATOM 971 CA TYR A 62 1.215 6.521 12.106 1.00 0.95 C ATOM 972 C TYR A 62 0.670 6.958 13.480 1.00 1.25 C ATOM 973 O TYR A 62 0.400 8.141 13.674 1.00 1.44 O ATOM 974 CB TYR A 62 0.099 5.993 11.185 1.00 1.00 C ATOM 975 CG TYR A 62 -1.213 6.761 11.163 1.00 1.55 C ATOM 976 CD1 TYR A 62 -1.270 8.092 10.701 1.00 2.59 C ATOM 977 CD2 TYR A 62 -2.403 6.108 11.545 1.00 2.71 C ATOM 978 CE1 TYR A 62 -2.506 8.756 10.584 1.00 2.95 C ATOM 979 CE2 TYR A 62 -3.641 6.773 11.442 1.00 3.21 C ATOM 980 CZ TYR A 62 -3.700 8.090 10.946 1.00 2.74 C ATOM 981 OH TYR A 62 -4.910 8.699 10.819 1.00 3.40 O ATOM 0 H TYR A 62 1.982 4.628 11.665 1.00 0.90 H new ATOM 0 HA TYR A 62 1.661 7.432 11.706 1.00 0.95 H new ATOM 0 HB2 TYR A 62 0.488 5.963 10.167 1.00 1.00 H new ATOM 0 HB3 TYR A 62 -0.118 4.965 11.474 1.00 1.00 H new ATOM 0 HD1 TYR A 62 -0.358 8.606 10.435 1.00 2.59 H new ATOM 0 HD2 TYR A 62 -2.365 5.095 11.918 1.00 2.71 H new ATOM 0 HE1 TYR A 62 -2.542 9.772 10.219 1.00 2.95 H new ATOM 0 HE2 TYR A 62 -4.548 6.271 11.745 1.00 3.21 H new ATOM 0 HH TYR A 62 -4.879 9.337 10.075 1.00 3.40 H new ATOM 991 N GLU A 63 0.582 6.038 14.447 1.00 1.03 N ATOM 992 CA GLU A 63 0.178 6.312 15.834 1.00 1.24 C ATOM 993 C GLU A 63 1.220 7.125 16.618 1.00 1.44 C ATOM 994 O GLU A 63 0.931 7.623 17.705 1.00 1.73 O ATOM 995 CB GLU A 63 -0.004 4.986 16.587 1.00 1.35 C ATOM 996 CG GLU A 63 -1.287 4.213 16.296 1.00 1.57 C ATOM 997 CD GLU A 63 -1.294 2.962 17.162 1.00 2.07 C ATOM 998 OE1 GLU A 63 -0.499 2.035 16.905 1.00 2.25 O ATOM 999 OE2 GLU A 63 -2.136 2.842 18.073 1.00 3.18 O ATOM 0 H GLU A 63 0.795 5.054 14.284 1.00 1.03 H new ATOM 0 HA GLU A 63 -0.745 6.888 15.771 1.00 1.24 H new ATOM 0 HB2 GLU A 63 0.844 4.342 16.354 1.00 1.35 H new ATOM 0 HB3 GLU A 63 0.036 5.192 17.657 1.00 1.35 H new ATOM 0 HG2 GLU A 63 -2.160 4.830 16.512 1.00 1.57 H new ATOM 0 HG3 GLU A 63 -1.339 3.945 15.241 1.00 1.57 H new ATOM 1006 N LYS A 64 2.471 7.161 16.155 1.00 1.19 N ATOM 1007 CA LYS A 64 3.611 7.768 16.857 1.00 1.31 C ATOM 1008 C LYS A 64 4.175 9.000 16.128 1.00 1.18 C ATOM 1009 O LYS A 64 5.042 9.686 16.670 1.00 1.37 O ATOM 1010 CB LYS A 64 4.675 6.675 17.094 1.00 1.84 C ATOM 1011 CG LYS A 64 4.463 5.911 18.418 1.00 3.16 C ATOM 1012 CD LYS A 64 3.335 4.861 18.382 1.00 4.64 C ATOM 1013 CE LYS A 64 2.442 4.829 19.633 1.00 6.35 C ATOM 1014 NZ LYS A 64 1.700 6.098 19.838 1.00 7.72 N ATOM 0 H LYS A 64 2.730 6.757 15.255 1.00 1.19 H new ATOM 0 HA LYS A 64 3.273 8.154 17.819 1.00 1.31 H new ATOM 0 HB2 LYS A 64 4.654 5.968 16.265 1.00 1.84 H new ATOM 0 HB3 LYS A 64 5.664 7.132 17.098 1.00 1.84 H new ATOM 0 HG2 LYS A 64 5.395 5.414 18.688 1.00 3.16 H new ATOM 0 HG3 LYS A 64 4.245 6.631 19.207 1.00 3.16 H new ATOM 0 HD2 LYS A 64 2.708 5.052 17.511 1.00 4.64 H new ATOM 0 HD3 LYS A 64 3.780 3.875 18.245 1.00 4.64 H new ATOM 0 HE2 LYS A 64 1.731 4.007 19.547 1.00 6.35 H new ATOM 0 HE3 LYS A 64 3.058 4.627 20.509 1.00 6.35 H new ATOM 0 HZ1 LYS A 64 0.744 5.888 20.191 1.00 7.72 H new ATOM 0 HZ2 LYS A 64 2.204 6.687 20.532 1.00 7.72 H new ATOM 0 HZ3 LYS A 64 1.631 6.610 18.935 1.00 7.72 H new ATOM 1028 N LEU A 65 3.661 9.330 14.942 1.00 0.98 N ATOM 1029 CA LEU A 65 3.879 10.629 14.304 1.00 1.11 C ATOM 1030 C LEU A 65 3.258 11.762 15.153 1.00 1.55 C ATOM 1031 O LEU A 65 2.213 11.545 15.767 1.00 1.75 O ATOM 1032 CB LEU A 65 3.274 10.584 12.891 1.00 1.15 C ATOM 1033 CG LEU A 65 4.075 9.758 11.865 1.00 1.39 C ATOM 1034 CD1 LEU A 65 3.307 9.744 10.541 1.00 1.70 C ATOM 1035 CD2 LEU A 65 5.477 10.328 11.603 1.00 1.89 C ATOM 0 H LEU A 65 3.077 8.699 14.393 1.00 0.98 H new ATOM 0 HA LEU A 65 4.946 10.837 14.229 1.00 1.11 H new ATOM 0 HB2 LEU A 65 2.266 10.175 12.957 1.00 1.15 H new ATOM 0 HB3 LEU A 65 3.180 11.604 12.520 1.00 1.15 H new ATOM 0 HG LEU A 65 4.196 8.756 12.278 1.00 1.39 H new ATOM 0 HD11 LEU A 65 3.862 9.163 9.805 1.00 1.70 H new ATOM 0 HD12 LEU A 65 2.326 9.294 10.694 1.00 1.70 H new ATOM 0 HD13 LEU A 65 3.185 10.765 10.180 1.00 1.70 H new ATOM 0 HD21 LEU A 65 5.993 9.704 10.873 1.00 1.89 H new ATOM 0 HD22 LEU A 65 5.391 11.343 11.216 1.00 1.89 H new ATOM 0 HD23 LEU A 65 6.044 10.341 12.534 1.00 1.89 H new ATOM 1047 N PRO A 66 3.868 12.967 15.194 1.00 1.47 N ATOM 1048 CA PRO A 66 3.384 14.081 16.006 1.00 1.81 C ATOM 1049 C PRO A 66 2.035 14.613 15.498 1.00 1.91 C ATOM 1050 O PRO A 66 1.705 14.417 14.324 1.00 1.64 O ATOM 1051 CB PRO A 66 4.475 15.159 15.934 1.00 2.09 C ATOM 1052 CG PRO A 66 5.194 14.868 14.621 1.00 2.00 C ATOM 1053 CD PRO A 66 5.093 13.349 14.501 1.00 1.66 C ATOM 0 HA PRO A 66 3.204 13.766 17.034 1.00 1.81 H new ATOM 0 HB2 PRO A 66 4.047 16.161 15.941 1.00 2.09 H new ATOM 0 HB3 PRO A 66 5.155 15.097 16.784 1.00 2.09 H new ATOM 0 HG2 PRO A 66 4.717 15.372 13.780 1.00 2.00 H new ATOM 0 HG3 PRO A 66 6.231 15.202 14.646 1.00 2.00 H new ATOM 0 HD2 PRO A 66 5.061 13.042 13.456 1.00 1.66 H new ATOM 0 HD3 PRO A 66 5.961 12.865 14.949 1.00 1.66 H new ATOM 1061 N PRO A 67 1.279 15.351 16.334 1.00 2.18 N ATOM 1062 CA PRO A 67 -0.045 15.857 15.980 1.00 2.37 C ATOM 1063 C PRO A 67 -0.050 16.878 14.829 1.00 2.48 C ATOM 1064 O PRO A 67 -1.126 17.235 14.359 1.00 2.71 O ATOM 1065 CB PRO A 67 -0.630 16.429 17.277 1.00 2.73 C ATOM 1066 CG PRO A 67 0.603 16.792 18.101 1.00 2.81 C ATOM 1067 CD PRO A 67 1.595 15.698 17.713 1.00 2.48 C ATOM 0 HA PRO A 67 -0.657 15.048 15.581 1.00 2.37 H new ATOM 0 HB2 PRO A 67 -1.254 17.302 17.084 1.00 2.73 H new ATOM 0 HB3 PRO A 67 -1.254 15.698 17.791 1.00 2.73 H new ATOM 0 HG2 PRO A 67 0.978 17.785 17.854 1.00 2.81 H new ATOM 0 HG3 PRO A 67 0.392 16.787 19.170 1.00 2.81 H new ATOM 0 HD2 PRO A 67 2.622 16.051 17.802 1.00 2.48 H new ATOM 0 HD3 PRO A 67 1.498 14.831 18.367 1.00 2.48 H new ATOM 1075 N LYS A 68 1.119 17.309 14.330 1.00 2.32 N ATOM 1076 CA LYS A 68 1.225 18.110 13.096 1.00 2.35 C ATOM 1077 C LYS A 68 1.527 17.261 11.841 1.00 2.17 C ATOM 1078 O LYS A 68 1.202 17.665 10.725 1.00 2.21 O ATOM 1079 CB LYS A 68 2.280 19.222 13.299 1.00 2.63 C ATOM 1080 CG LYS A 68 1.622 20.596 13.516 1.00 2.90 C ATOM 1081 CD LYS A 68 1.026 21.137 12.207 1.00 3.14 C ATOM 1082 CE LYS A 68 0.007 22.254 12.453 1.00 3.35 C ATOM 1083 NZ LYS A 68 -0.845 22.446 11.256 1.00 3.65 N ATOM 0 H LYS A 68 2.019 17.113 14.769 1.00 2.32 H new ATOM 0 HA LYS A 68 0.251 18.561 12.908 1.00 2.35 H new ATOM 0 HB2 LYS A 68 2.906 18.978 14.158 1.00 2.63 H new ATOM 0 HB3 LYS A 68 2.935 19.265 12.429 1.00 2.63 H new ATOM 0 HG2 LYS A 68 0.838 20.512 14.269 1.00 2.90 H new ATOM 0 HG3 LYS A 68 2.360 21.299 13.901 1.00 2.90 H new ATOM 0 HD2 LYS A 68 1.829 21.513 11.573 1.00 3.14 H new ATOM 0 HD3 LYS A 68 0.546 20.323 11.665 1.00 3.14 H new ATOM 0 HE2 LYS A 68 -0.614 22.006 13.314 1.00 3.35 H new ATOM 0 HE3 LYS A 68 0.526 23.183 12.691 1.00 3.35 H new ATOM 0 HZ1 LYS A 68 -1.147 23.440 11.201 1.00 3.65 H new ATOM 0 HZ2 LYS A 68 -0.304 22.201 10.402 1.00 3.65 H new ATOM 0 HZ3 LYS A 68 -1.682 21.833 11.324 1.00 3.65 H new ATOM 1097 N ALA A 69 2.120 16.076 12.014 1.00 1.75 N ATOM 1098 CA ALA A 69 2.331 15.111 10.940 1.00 1.54 C ATOM 1099 C ALA A 69 1.029 14.412 10.513 1.00 1.40 C ATOM 1100 O ALA A 69 0.781 14.306 9.318 1.00 1.42 O ATOM 1101 CB ALA A 69 3.409 14.124 11.382 1.00 1.47 C ATOM 0 H ALA A 69 2.470 15.759 12.918 1.00 1.75 H new ATOM 0 HA ALA A 69 2.671 15.636 10.047 1.00 1.54 H new ATOM 0 HB1 ALA A 69 3.580 13.394 10.591 1.00 1.47 H new ATOM 0 HB2 ALA A 69 4.334 14.663 11.585 1.00 1.47 H new ATOM 0 HB3 ALA A 69 3.083 13.609 12.286 1.00 1.47 H new ATOM 1107 N GLN A 70 0.175 13.993 11.457 1.00 1.39 N ATOM 1108 CA GLN A 70 -1.066 13.243 11.173 1.00 1.44 C ATOM 1109 C GLN A 70 -1.911 13.841 10.028 1.00 1.55 C ATOM 1110 O GLN A 70 -2.398 13.100 9.177 1.00 1.69 O ATOM 1111 CB GLN A 70 -1.884 13.059 12.470 1.00 1.74 C ATOM 1112 CG GLN A 70 -2.361 14.383 13.102 1.00 2.76 C ATOM 1113 CD GLN A 70 -3.116 14.221 14.428 1.00 3.37 C ATOM 1114 OE1 GLN A 70 -3.626 13.166 14.756 1.00 3.07 O ATOM 1115 NE2 GLN A 70 -3.230 15.253 15.237 1.00 4.60 N ATOM 0 H GLN A 70 0.324 14.165 12.451 1.00 1.39 H new ATOM 0 HA GLN A 70 -0.766 12.262 10.806 1.00 1.44 H new ATOM 0 HB2 GLN A 70 -2.753 12.437 12.255 1.00 1.74 H new ATOM 0 HB3 GLN A 70 -1.277 12.519 13.197 1.00 1.74 H new ATOM 0 HG2 GLN A 70 -1.495 15.024 13.268 1.00 2.76 H new ATOM 0 HG3 GLN A 70 -3.007 14.898 12.391 1.00 2.76 H new ATOM 0 HE21 GLN A 70 -2.811 16.148 14.984 1.00 4.60 H new ATOM 0 HE22 GLN A 70 -3.737 15.158 16.117 1.00 4.60 H new ATOM 1124 N GLU A 71 -1.985 15.178 9.953 1.00 1.70 N ATOM 1125 CA GLU A 71 -2.772 15.987 9.008 1.00 1.88 C ATOM 1126 C GLU A 71 -2.658 15.513 7.559 1.00 1.66 C ATOM 1127 O GLU A 71 -3.639 15.497 6.810 1.00 1.83 O ATOM 1128 CB GLU A 71 -2.265 17.444 9.045 1.00 2.19 C ATOM 1129 CG GLU A 71 -2.154 18.000 10.463 1.00 2.43 C ATOM 1130 CD GLU A 71 -1.803 19.485 10.502 1.00 3.18 C ATOM 1131 OE1 GLU A 71 -0.965 19.964 9.703 1.00 3.88 O ATOM 1132 OE2 GLU A 71 -2.289 20.182 11.416 1.00 3.71 O ATOM 0 H GLU A 71 -1.458 15.766 10.598 1.00 1.70 H new ATOM 0 HA GLU A 71 -3.812 15.893 9.321 1.00 1.88 H new ATOM 0 HB2 GLU A 71 -1.289 17.496 8.563 1.00 2.19 H new ATOM 0 HB3 GLU A 71 -2.941 18.073 8.466 1.00 2.19 H new ATOM 0 HG2 GLU A 71 -3.099 17.843 10.983 1.00 2.43 H new ATOM 0 HG3 GLU A 71 -1.394 17.439 11.007 1.00 2.43 H new ATOM 1139 N ARG A 72 -1.437 15.140 7.180 1.00 1.34 N ATOM 1140 CA ARG A 72 -1.075 14.752 5.819 1.00 1.20 C ATOM 1141 C ARG A 72 -0.992 13.237 5.591 1.00 1.31 C ATOM 1142 O ARG A 72 -0.644 12.856 4.479 1.00 1.54 O ATOM 1143 CB ARG A 72 0.211 15.460 5.362 1.00 1.34 C ATOM 1144 CG ARG A 72 1.420 15.170 6.263 1.00 1.76 C ATOM 1145 CD ARG A 72 1.616 16.300 7.280 1.00 1.77 C ATOM 1146 NE ARG A 72 2.265 17.428 6.625 1.00 2.15 N ATOM 1147 CZ ARG A 72 1.952 18.708 6.610 1.00 2.65 C ATOM 1148 NH1 ARG A 72 1.076 19.268 7.427 1.00 3.53 N ATOM 1149 NH2 ARG A 72 2.584 19.414 5.701 1.00 3.15 N ATOM 0 H ARG A 72 -0.651 15.098 7.829 1.00 1.34 H new ATOM 0 HA ARG A 72 -1.902 15.088 5.194 1.00 1.20 H new ATOM 0 HB2 ARG A 72 0.444 15.151 4.343 1.00 1.34 H new ATOM 0 HB3 ARG A 72 0.036 16.535 5.337 1.00 1.34 H new ATOM 0 HG2 ARG A 72 1.273 14.225 6.785 1.00 1.76 H new ATOM 0 HG3 ARG A 72 2.317 15.062 5.654 1.00 1.76 H new ATOM 0 HD2 ARG A 72 0.654 16.607 7.690 1.00 1.77 H new ATOM 0 HD3 ARG A 72 2.222 15.952 8.116 1.00 1.77 H new ATOM 0 HE ARG A 72 3.099 17.187 6.090 1.00 2.15 H new ATOM 0 HH11 ARG A 72 0.594 18.701 8.125 1.00 3.53 H new ATOM 0 HH12 ARG A 72 0.882 20.267 7.359 1.00 3.53 H new ATOM 0 HH21 ARG A 72 3.255 18.962 5.079 1.00 3.15 H new ATOM 0 HH22 ARG A 72 2.404 20.414 5.616 1.00 3.15 H new ATOM 1163 N VAL A 73 -1.275 12.363 6.563 1.00 1.08 N ATOM 1164 CA VAL A 73 -1.016 10.912 6.408 1.00 1.07 C ATOM 1165 C VAL A 73 -2.294 10.130 6.101 1.00 1.29 C ATOM 1166 O VAL A 73 -3.298 10.273 6.793 1.00 1.61 O ATOM 1167 CB VAL A 73 -0.300 10.324 7.641 1.00 1.20 C ATOM 1168 CG1 VAL A 73 -0.039 8.814 7.497 1.00 1.47 C ATOM 1169 CG2 VAL A 73 1.049 11.029 7.843 1.00 2.07 C ATOM 0 H VAL A 73 -1.680 12.624 7.462 1.00 1.08 H new ATOM 0 HA VAL A 73 -0.351 10.807 5.551 1.00 1.07 H new ATOM 0 HB VAL A 73 -0.956 10.482 8.497 1.00 1.20 H new ATOM 0 HG11 VAL A 73 0.467 8.445 8.389 1.00 1.47 H new ATOM 0 HG12 VAL A 73 -0.987 8.291 7.375 1.00 1.47 H new ATOM 0 HG13 VAL A 73 0.589 8.635 6.624 1.00 1.47 H new ATOM 0 HG21 VAL A 73 1.551 10.610 8.715 1.00 2.07 H new ATOM 0 HG22 VAL A 73 1.672 10.883 6.961 1.00 2.07 H new ATOM 0 HG23 VAL A 73 0.883 12.095 7.997 1.00 2.07 H new ATOM 1179 N GLN A 74 -2.239 9.268 5.081 1.00 0.97 N ATOM 1180 CA GLN A 74 -3.305 8.359 4.652 1.00 1.02 C ATOM 1181 C GLN A 74 -2.702 6.975 4.321 1.00 1.10 C ATOM 1182 O GLN A 74 -1.510 6.871 4.046 1.00 1.47 O ATOM 1183 CB GLN A 74 -4.024 8.954 3.417 1.00 1.31 C ATOM 1184 CG GLN A 74 -5.544 9.139 3.589 1.00 1.48 C ATOM 1185 CD GLN A 74 -5.969 10.515 4.109 1.00 2.44 C ATOM 1186 OE1 GLN A 74 -6.667 11.268 3.457 1.00 3.09 O ATOM 1187 NE2 GLN A 74 -5.597 10.933 5.299 1.00 3.63 N ATOM 0 H GLN A 74 -1.404 9.181 4.501 1.00 0.97 H new ATOM 0 HA GLN A 74 -4.033 8.237 5.454 1.00 1.02 H new ATOM 0 HB2 GLN A 74 -3.577 9.920 3.183 1.00 1.31 H new ATOM 0 HB3 GLN A 74 -3.845 8.304 2.560 1.00 1.31 H new ATOM 0 HG2 GLN A 74 -6.028 8.964 2.628 1.00 1.48 H new ATOM 0 HG3 GLN A 74 -5.913 8.377 4.275 1.00 1.48 H new ATOM 0 HE21 GLN A 74 -5.011 10.341 5.887 1.00 3.63 H new ATOM 0 HE22 GLN A 74 -5.894 11.849 5.634 1.00 3.63 H new ATOM 1196 N VAL A 75 -3.521 5.918 4.313 1.00 1.00 N ATOM 1197 CA VAL A 75 -3.091 4.546 3.975 1.00 0.92 C ATOM 1198 C VAL A 75 -4.175 3.869 3.150 1.00 1.12 C ATOM 1199 O VAL A 75 -5.360 3.997 3.464 1.00 1.50 O ATOM 1200 CB VAL A 75 -2.824 3.686 5.232 1.00 1.05 C ATOM 1201 CG1 VAL A 75 -2.326 2.269 4.896 1.00 1.12 C ATOM 1202 CG2 VAL A 75 -1.798 4.347 6.162 1.00 1.22 C ATOM 0 H VAL A 75 -4.513 5.986 4.543 1.00 1.00 H new ATOM 0 HA VAL A 75 -2.159 4.627 3.415 1.00 0.92 H new ATOM 0 HB VAL A 75 -3.789 3.608 5.733 1.00 1.05 H new ATOM 0 HG11 VAL A 75 -2.157 1.715 5.819 1.00 1.12 H new ATOM 0 HG12 VAL A 75 -3.075 1.753 4.295 1.00 1.12 H new ATOM 0 HG13 VAL A 75 -1.393 2.334 4.336 1.00 1.12 H new ATOM 0 HG21 VAL A 75 -1.636 3.714 7.034 1.00 1.22 H new ATOM 0 HG22 VAL A 75 -0.856 4.479 5.630 1.00 1.22 H new ATOM 0 HG23 VAL A 75 -2.172 5.319 6.484 1.00 1.22 H new ATOM 1212 N ILE A 76 -3.762 3.120 2.124 1.00 0.73 N ATOM 1213 CA ILE A 76 -4.653 2.319 1.279 1.00 0.67 C ATOM 1214 C ILE A 76 -4.081 0.904 1.121 1.00 0.84 C ATOM 1215 O ILE A 76 -2.930 0.715 0.717 1.00 1.04 O ATOM 1216 CB ILE A 76 -4.837 3.020 -0.086 1.00 0.66 C ATOM 1217 CG1 ILE A 76 -5.472 4.428 0.011 1.00 0.95 C ATOM 1218 CG2 ILE A 76 -5.647 2.143 -1.054 1.00 0.65 C ATOM 1219 CD1 ILE A 76 -6.961 4.467 0.363 1.00 1.68 C ATOM 0 H ILE A 76 -2.781 3.052 1.852 1.00 0.73 H new ATOM 0 HA ILE A 76 -5.634 2.230 1.746 1.00 0.67 H new ATOM 0 HB ILE A 76 -3.829 3.161 -0.475 1.00 0.66 H new ATOM 0 HG12 ILE A 76 -4.926 5.001 0.761 1.00 0.95 H new ATOM 0 HG13 ILE A 76 -5.331 4.936 -0.943 1.00 0.95 H new ATOM 0 HG21 ILE A 76 -5.761 2.661 -2.006 1.00 0.65 H new ATOM 0 HG22 ILE A 76 -5.125 1.200 -1.214 1.00 0.65 H new ATOM 0 HG23 ILE A 76 -6.631 1.945 -0.629 1.00 0.65 H new ATOM 0 HD11 ILE A 76 -7.298 5.503 0.404 1.00 1.68 H new ATOM 0 HD12 ILE A 76 -7.529 3.930 -0.397 1.00 1.68 H new ATOM 0 HD13 ILE A 76 -7.118 3.996 1.333 1.00 1.68 H new ATOM 1231 N PHE A 77 -4.923 -0.102 1.361 1.00 0.65 N ATOM 1232 CA PHE A 77 -4.647 -1.486 0.992 1.00 0.64 C ATOM 1233 C PHE A 77 -5.336 -1.772 -0.345 1.00 1.57 C ATOM 1234 O PHE A 77 -6.536 -1.556 -0.484 1.00 2.00 O ATOM 1235 CB PHE A 77 -5.150 -2.435 2.090 1.00 0.66 C ATOM 1236 CG PHE A 77 -5.080 -3.901 1.695 1.00 0.90 C ATOM 1237 CD1 PHE A 77 -3.829 -4.529 1.547 1.00 1.70 C ATOM 1238 CD2 PHE A 77 -6.258 -4.623 1.415 1.00 2.58 C ATOM 1239 CE1 PHE A 77 -3.757 -5.871 1.129 1.00 1.74 C ATOM 1240 CE2 PHE A 77 -6.182 -5.961 0.987 1.00 2.64 C ATOM 1241 CZ PHE A 77 -4.932 -6.586 0.843 1.00 1.33 C ATOM 0 H PHE A 77 -5.824 0.025 1.822 1.00 0.65 H new ATOM 0 HA PHE A 77 -3.574 -1.646 0.887 1.00 0.64 H new ATOM 0 HB2 PHE A 77 -4.559 -2.280 2.993 1.00 0.66 H new ATOM 0 HB3 PHE A 77 -6.181 -2.181 2.336 1.00 0.66 H new ATOM 0 HD1 PHE A 77 -2.922 -3.980 1.755 1.00 1.70 H new ATOM 0 HD2 PHE A 77 -7.221 -4.148 1.529 1.00 2.58 H new ATOM 0 HE1 PHE A 77 -2.796 -6.353 1.028 1.00 1.74 H new ATOM 0 HE2 PHE A 77 -7.087 -6.509 0.769 1.00 2.64 H new ATOM 0 HZ PHE A 77 -4.875 -7.613 0.513 1.00 1.33 H new ATOM 1251 N VAL A 78 -4.570 -2.267 -1.316 1.00 0.61 N ATOM 1252 CA VAL A 78 -5.074 -2.746 -2.610 1.00 0.60 C ATOM 1253 C VAL A 78 -4.959 -4.268 -2.628 1.00 0.84 C ATOM 1254 O VAL A 78 -3.885 -4.821 -2.386 1.00 1.06 O ATOM 1255 CB VAL A 78 -4.319 -2.111 -3.803 1.00 0.65 C ATOM 1256 CG1 VAL A 78 -4.788 -2.681 -5.153 1.00 0.92 C ATOM 1257 CG2 VAL A 78 -4.554 -0.593 -3.827 1.00 1.20 C ATOM 0 H VAL A 78 -3.557 -2.350 -1.226 1.00 0.61 H new ATOM 0 HA VAL A 78 -6.116 -2.446 -2.723 1.00 0.60 H new ATOM 0 HB VAL A 78 -3.263 -2.343 -3.666 1.00 0.65 H new ATOM 0 HG11 VAL A 78 -4.231 -2.207 -5.961 1.00 0.92 H new ATOM 0 HG12 VAL A 78 -4.613 -3.757 -5.174 1.00 0.92 H new ATOM 0 HG13 VAL A 78 -5.852 -2.484 -5.281 1.00 0.92 H new ATOM 0 HG21 VAL A 78 -4.019 -0.155 -4.670 1.00 1.20 H new ATOM 0 HG22 VAL A 78 -5.620 -0.391 -3.930 1.00 1.20 H new ATOM 0 HG23 VAL A 78 -4.190 -0.154 -2.898 1.00 1.20 H new ATOM 1267 N SER A 79 -6.073 -4.937 -2.910 1.00 0.63 N ATOM 1268 CA SER A 79 -6.094 -6.383 -3.137 1.00 0.68 C ATOM 1269 C SER A 79 -5.409 -6.763 -4.446 1.00 0.87 C ATOM 1270 O SER A 79 -5.619 -6.080 -5.446 1.00 1.17 O ATOM 1271 CB SER A 79 -7.528 -6.857 -3.270 1.00 1.08 C ATOM 1272 OG SER A 79 -8.215 -6.149 -4.294 1.00 2.71 O ATOM 0 H SER A 79 -6.988 -4.494 -2.988 1.00 0.63 H new ATOM 0 HA SER A 79 -5.578 -6.838 -2.292 1.00 0.68 H new ATOM 0 HB2 SER A 79 -7.541 -7.924 -3.492 1.00 1.08 H new ATOM 0 HB3 SER A 79 -8.047 -6.722 -2.321 1.00 1.08 H new ATOM 0 HG SER A 79 -7.568 -5.802 -4.943 1.00 2.71 H new ATOM 1278 N VAL A 80 -4.693 -7.886 -4.473 1.00 0.80 N ATOM 1279 CA VAL A 80 -3.980 -8.332 -5.687 1.00 0.91 C ATOM 1280 C VAL A 80 -4.869 -9.261 -6.531 1.00 1.40 C ATOM 1281 O VAL A 80 -4.955 -9.088 -7.745 1.00 1.88 O ATOM 1282 CB VAL A 80 -2.611 -8.957 -5.331 1.00 0.78 C ATOM 1283 CG1 VAL A 80 -1.865 -9.525 -6.546 1.00 1.90 C ATOM 1284 CG2 VAL A 80 -1.679 -7.890 -4.720 1.00 2.03 C ATOM 0 H VAL A 80 -4.586 -8.509 -3.673 1.00 0.80 H new ATOM 0 HA VAL A 80 -3.764 -7.462 -6.307 1.00 0.91 H new ATOM 0 HB VAL A 80 -2.839 -9.764 -4.635 1.00 0.78 H new ATOM 0 HG11 VAL A 80 -0.913 -9.947 -6.224 1.00 1.90 H new ATOM 0 HG12 VAL A 80 -2.469 -10.304 -7.012 1.00 1.90 H new ATOM 0 HG13 VAL A 80 -1.683 -8.728 -7.266 1.00 1.90 H new ATOM 0 HG21 VAL A 80 -0.719 -8.343 -4.474 1.00 2.03 H new ATOM 0 HG22 VAL A 80 -1.527 -7.085 -5.439 1.00 2.03 H new ATOM 0 HG23 VAL A 80 -2.132 -7.486 -3.815 1.00 2.03 H new ATOM 1294 N ASP A 81 -5.591 -10.191 -5.892 1.00 0.96 N ATOM 1295 CA ASP A 81 -6.412 -11.198 -6.565 1.00 1.14 C ATOM 1296 C ASP A 81 -7.895 -11.069 -6.185 1.00 1.13 C ATOM 1297 O ASP A 81 -8.334 -11.707 -5.223 1.00 1.32 O ATOM 1298 CB ASP A 81 -5.870 -12.592 -6.237 1.00 1.47 C ATOM 1299 CG ASP A 81 -4.576 -12.840 -6.999 1.00 3.21 C ATOM 1300 OD1 ASP A 81 -4.687 -13.354 -8.136 1.00 3.98 O ATOM 1301 OD2 ASP A 81 -3.500 -12.525 -6.453 1.00 4.62 O ATOM 0 H ASP A 81 -5.619 -10.263 -4.875 1.00 0.96 H new ATOM 0 HA ASP A 81 -6.353 -11.037 -7.641 1.00 1.14 H new ATOM 0 HB2 ASP A 81 -5.693 -12.679 -5.165 1.00 1.47 H new ATOM 0 HB3 ASP A 81 -6.608 -13.350 -6.501 1.00 1.47 H new ATOM 1306 N PRO A 82 -8.711 -10.326 -6.963 1.00 0.97 N ATOM 1307 CA PRO A 82 -10.156 -10.256 -6.751 1.00 1.01 C ATOM 1308 C PRO A 82 -10.876 -11.593 -7.013 1.00 1.22 C ATOM 1309 O PRO A 82 -12.053 -11.724 -6.688 1.00 1.53 O ATOM 1310 CB PRO A 82 -10.647 -9.129 -7.660 1.00 1.39 C ATOM 1311 CG PRO A 82 -9.631 -9.126 -8.802 1.00 1.54 C ATOM 1312 CD PRO A 82 -8.328 -9.497 -8.097 1.00 1.34 C ATOM 0 HA PRO A 82 -10.386 -10.051 -5.705 1.00 1.01 H new ATOM 0 HB2 PRO A 82 -11.658 -9.317 -8.022 1.00 1.39 H new ATOM 0 HB3 PRO A 82 -10.668 -8.172 -7.138 1.00 1.39 H new ATOM 0 HG2 PRO A 82 -9.891 -9.847 -9.577 1.00 1.54 H new ATOM 0 HG3 PRO A 82 -9.567 -8.150 -9.284 1.00 1.54 H new ATOM 0 HD2 PRO A 82 -7.661 -10.037 -8.768 1.00 1.34 H new ATOM 0 HD3 PRO A 82 -7.795 -8.606 -7.767 1.00 1.34 H new ATOM 1320 N GLU A 83 -10.165 -12.613 -7.521 1.00 1.19 N ATOM 1321 CA GLU A 83 -10.586 -14.022 -7.502 1.00 1.58 C ATOM 1322 C GLU A 83 -10.824 -14.555 -6.070 1.00 1.64 C ATOM 1323 O GLU A 83 -11.531 -15.554 -5.897 1.00 2.02 O ATOM 1324 CB GLU A 83 -9.512 -14.867 -8.212 1.00 2.00 C ATOM 1325 CG GLU A 83 -9.456 -14.603 -9.726 1.00 2.43 C ATOM 1326 CD GLU A 83 -8.169 -15.144 -10.349 1.00 2.92 C ATOM 1327 OE1 GLU A 83 -7.874 -16.349 -10.202 1.00 3.11 O ATOM 1328 OE2 GLU A 83 -7.403 -14.338 -10.923 1.00 3.78 O ATOM 0 H GLU A 83 -9.258 -12.476 -7.968 1.00 1.19 H new ATOM 0 HA GLU A 83 -11.541 -14.096 -8.022 1.00 1.58 H new ATOM 0 HB2 GLU A 83 -8.538 -14.652 -7.773 1.00 2.00 H new ATOM 0 HB3 GLU A 83 -9.714 -15.924 -8.039 1.00 2.00 H new ATOM 0 HG2 GLU A 83 -10.316 -15.067 -10.208 1.00 2.43 H new ATOM 0 HG3 GLU A 83 -9.527 -13.531 -9.911 1.00 2.43 H new ATOM 1335 N ARG A 84 -10.289 -13.888 -5.032 1.00 1.26 N ATOM 1336 CA ARG A 84 -10.594 -14.183 -3.626 1.00 1.16 C ATOM 1337 C ARG A 84 -10.571 -12.993 -2.650 1.00 1.36 C ATOM 1338 O ARG A 84 -10.996 -13.190 -1.512 1.00 1.60 O ATOM 1339 CB ARG A 84 -9.712 -15.344 -3.107 1.00 1.29 C ATOM 1340 CG ARG A 84 -10.470 -16.673 -2.958 1.00 1.68 C ATOM 1341 CD ARG A 84 -11.657 -16.576 -1.981 1.00 2.94 C ATOM 1342 NE ARG A 84 -12.679 -17.612 -2.215 1.00 3.55 N ATOM 1343 CZ ARG A 84 -13.533 -17.657 -3.233 1.00 4.42 C ATOM 1344 NH1 ARG A 84 -13.434 -16.883 -4.298 1.00 5.06 N ATOM 1345 NH2 ARG A 84 -14.532 -18.515 -3.201 1.00 5.48 N ATOM 0 H ARG A 84 -9.626 -13.122 -5.150 1.00 1.26 H new ATOM 0 HA ARG A 84 -11.643 -14.479 -3.642 1.00 1.16 H new ATOM 0 HB2 ARG A 84 -8.875 -15.487 -3.791 1.00 1.29 H new ATOM 0 HB3 ARG A 84 -9.290 -15.065 -2.141 1.00 1.29 H new ATOM 0 HG2 ARG A 84 -10.834 -16.990 -3.935 1.00 1.68 H new ATOM 0 HG3 ARG A 84 -9.781 -17.442 -2.610 1.00 1.68 H new ATOM 0 HD2 ARG A 84 -11.288 -16.661 -0.959 1.00 2.94 H new ATOM 0 HD3 ARG A 84 -12.117 -15.592 -2.073 1.00 2.94 H new ATOM 0 HE ARG A 84 -12.737 -18.366 -1.531 1.00 3.55 H new ATOM 0 HH11 ARG A 84 -12.673 -16.208 -4.369 1.00 5.06 H new ATOM 0 HH12 ARG A 84 -14.119 -16.961 -5.050 1.00 5.06 H new ATOM 0 HH21 ARG A 84 -14.645 -19.137 -2.400 1.00 5.48 H new ATOM 0 HH22 ARG A 84 -15.193 -18.558 -3.977 1.00 5.48 H new ATOM 1359 N ASP A 85 -10.166 -11.792 -3.065 1.00 0.98 N ATOM 1360 CA ASP A 85 -10.257 -10.548 -2.282 1.00 1.04 C ATOM 1361 C ASP A 85 -11.490 -9.714 -2.725 1.00 1.21 C ATOM 1362 O ASP A 85 -11.408 -8.986 -3.715 1.00 1.67 O ATOM 1363 CB ASP A 85 -8.965 -9.717 -2.484 1.00 1.44 C ATOM 1364 CG ASP A 85 -7.698 -10.165 -1.744 1.00 1.69 C ATOM 1365 OD1 ASP A 85 -7.777 -11.082 -0.902 1.00 1.88 O ATOM 1366 OD2 ASP A 85 -6.628 -9.561 -1.993 1.00 2.92 O ATOM 0 H ASP A 85 -9.751 -11.648 -3.986 1.00 0.98 H new ATOM 0 HA ASP A 85 -10.370 -10.802 -1.228 1.00 1.04 H new ATOM 0 HB2 ASP A 85 -8.741 -9.702 -3.551 1.00 1.44 H new ATOM 0 HB3 ASP A 85 -9.179 -8.690 -2.188 1.00 1.44 H new ATOM 1371 N PRO A 86 -12.656 -9.813 -2.050 1.00 0.69 N ATOM 1372 CA PRO A 86 -13.792 -8.920 -2.274 1.00 0.81 C ATOM 1373 C PRO A 86 -13.668 -7.645 -1.414 1.00 0.98 C ATOM 1374 O PRO A 86 -13.081 -7.699 -0.328 1.00 0.78 O ATOM 1375 CB PRO A 86 -15.026 -9.741 -1.891 1.00 0.79 C ATOM 1376 CG PRO A 86 -14.496 -10.605 -0.751 1.00 0.72 C ATOM 1377 CD PRO A 86 -13.056 -10.903 -1.171 1.00 0.68 C ATOM 0 HA PRO A 86 -13.847 -8.575 -3.307 1.00 0.81 H new ATOM 0 HB2 PRO A 86 -15.853 -9.108 -1.571 1.00 0.79 H new ATOM 0 HB3 PRO A 86 -15.389 -10.343 -2.724 1.00 0.79 H new ATOM 0 HG2 PRO A 86 -14.536 -10.079 0.203 1.00 0.72 H new ATOM 0 HG3 PRO A 86 -15.078 -11.519 -0.636 1.00 0.72 H new ATOM 0 HD2 PRO A 86 -12.401 -10.962 -0.302 1.00 0.68 H new ATOM 0 HD3 PRO A 86 -12.991 -11.862 -1.685 1.00 0.68 H new ATOM 1385 N PRO A 87 -14.260 -6.511 -1.845 1.00 0.71 N ATOM 1386 CA PRO A 87 -14.030 -5.190 -1.249 1.00 0.87 C ATOM 1387 C PRO A 87 -14.405 -5.091 0.223 1.00 1.09 C ATOM 1388 O PRO A 87 -13.752 -4.362 0.966 1.00 1.08 O ATOM 1389 CB PRO A 87 -14.829 -4.197 -2.094 1.00 1.06 C ATOM 1390 CG PRO A 87 -15.796 -5.047 -2.916 1.00 0.95 C ATOM 1391 CD PRO A 87 -15.072 -6.381 -3.049 1.00 0.76 C ATOM 0 HA PRO A 87 -12.961 -4.975 -1.259 1.00 0.87 H new ATOM 0 HB2 PRO A 87 -15.367 -3.489 -1.464 1.00 1.06 H new ATOM 0 HB3 PRO A 87 -14.173 -3.614 -2.740 1.00 1.06 H new ATOM 0 HG2 PRO A 87 -16.757 -5.160 -2.414 1.00 0.95 H new ATOM 0 HG3 PRO A 87 -15.995 -4.600 -3.890 1.00 0.95 H new ATOM 0 HD2 PRO A 87 -15.781 -7.205 -3.134 1.00 0.76 H new ATOM 0 HD3 PRO A 87 -14.451 -6.402 -3.944 1.00 0.76 H new ATOM 1399 N GLU A 88 -15.415 -5.842 0.663 1.00 0.74 N ATOM 1400 CA GLU A 88 -15.765 -5.940 2.079 1.00 0.74 C ATOM 1401 C GLU A 88 -14.610 -6.528 2.901 1.00 0.94 C ATOM 1402 O GLU A 88 -14.228 -5.956 3.916 1.00 1.18 O ATOM 1403 CB GLU A 88 -16.993 -6.851 2.240 1.00 0.93 C ATOM 1404 CG GLU A 88 -18.261 -6.387 1.504 1.00 1.53 C ATOM 1405 CD GLU A 88 -19.001 -7.596 0.928 1.00 3.03 C ATOM 1406 OE1 GLU A 88 -19.277 -8.524 1.714 1.00 3.48 O ATOM 1407 OE2 GLU A 88 -19.197 -7.601 -0.305 1.00 4.27 O ATOM 0 H GLU A 88 -16.011 -6.398 0.050 1.00 0.74 H new ATOM 0 HA GLU A 88 -15.979 -4.935 2.442 1.00 0.74 H new ATOM 0 HB2 GLU A 88 -16.733 -7.849 1.886 1.00 0.93 H new ATOM 0 HB3 GLU A 88 -17.222 -6.939 3.302 1.00 0.93 H new ATOM 0 HG2 GLU A 88 -18.912 -5.844 2.190 1.00 1.53 H new ATOM 0 HG3 GLU A 88 -17.995 -5.697 0.703 1.00 1.53 H new ATOM 1414 N VAL A 89 -14.054 -7.663 2.475 1.00 0.57 N ATOM 1415 CA VAL A 89 -13.032 -8.416 3.227 1.00 0.59 C ATOM 1416 C VAL A 89 -11.702 -7.663 3.216 1.00 0.95 C ATOM 1417 O VAL A 89 -10.993 -7.659 4.225 1.00 0.83 O ATOM 1418 CB VAL A 89 -12.853 -9.851 2.680 1.00 0.61 C ATOM 1419 CG1 VAL A 89 -11.741 -10.637 3.397 1.00 0.78 C ATOM 1420 CG2 VAL A 89 -14.156 -10.656 2.838 1.00 0.91 C ATOM 0 H VAL A 89 -14.300 -8.097 1.585 1.00 0.57 H new ATOM 0 HA VAL A 89 -13.379 -8.505 4.257 1.00 0.59 H new ATOM 0 HB VAL A 89 -12.581 -9.731 1.631 1.00 0.61 H new ATOM 0 HG11 VAL A 89 -11.666 -11.636 2.967 1.00 0.78 H new ATOM 0 HG12 VAL A 89 -10.791 -10.117 3.275 1.00 0.78 H new ATOM 0 HG13 VAL A 89 -11.977 -10.716 4.458 1.00 0.78 H new ATOM 0 HG21 VAL A 89 -14.011 -11.663 2.448 1.00 0.91 H new ATOM 0 HG22 VAL A 89 -14.424 -10.711 3.893 1.00 0.91 H new ATOM 0 HG23 VAL A 89 -14.957 -10.164 2.285 1.00 0.91 H new ATOM 1430 N ALA A 90 -11.395 -6.980 2.104 1.00 0.78 N ATOM 1431 CA ALA A 90 -10.275 -6.053 2.000 1.00 0.94 C ATOM 1432 C ALA A 90 -10.342 -4.964 3.089 1.00 1.01 C ATOM 1433 O ALA A 90 -9.361 -4.761 3.805 1.00 1.02 O ATOM 1434 CB ALA A 90 -10.276 -5.481 0.570 1.00 1.19 C ATOM 0 H ALA A 90 -11.932 -7.063 1.240 1.00 0.78 H new ATOM 0 HA ALA A 90 -9.330 -6.567 2.175 1.00 0.94 H new ATOM 0 HB1 ALA A 90 -9.448 -4.781 0.457 1.00 1.19 H new ATOM 0 HB2 ALA A 90 -10.164 -6.294 -0.147 1.00 1.19 H new ATOM 0 HB3 ALA A 90 -11.217 -4.962 0.386 1.00 1.19 H new ATOM 1440 N ASP A 91 -11.489 -4.296 3.264 1.00 0.77 N ATOM 1441 CA ASP A 91 -11.632 -3.245 4.281 1.00 0.71 C ATOM 1442 C ASP A 91 -11.646 -3.811 5.707 1.00 0.99 C ATOM 1443 O ASP A 91 -10.940 -3.290 6.567 1.00 1.00 O ATOM 1444 CB ASP A 91 -12.871 -2.391 4.005 1.00 0.77 C ATOM 1445 CG ASP A 91 -12.902 -1.147 4.900 1.00 0.90 C ATOM 1446 OD1 ASP A 91 -12.137 -0.193 4.622 1.00 1.47 O ATOM 1447 OD2 ASP A 91 -13.700 -1.145 5.866 1.00 1.92 O ATOM 0 H ASP A 91 -12.332 -4.464 2.715 1.00 0.77 H new ATOM 0 HA ASP A 91 -10.753 -2.604 4.212 1.00 0.71 H new ATOM 0 HB2 ASP A 91 -12.881 -2.088 2.958 1.00 0.77 H new ATOM 0 HB3 ASP A 91 -13.769 -2.985 4.173 1.00 0.77 H new ATOM 1452 N ARG A 92 -12.353 -4.924 5.955 1.00 0.67 N ATOM 1453 CA ARG A 92 -12.340 -5.614 7.258 1.00 0.74 C ATOM 1454 C ARG A 92 -10.905 -5.857 7.737 1.00 1.15 C ATOM 1455 O ARG A 92 -10.585 -5.576 8.890 1.00 1.42 O ATOM 1456 CB ARG A 92 -13.054 -6.971 7.156 1.00 0.93 C ATOM 1457 CG ARG A 92 -14.527 -6.871 6.745 1.00 1.16 C ATOM 1458 CD ARG A 92 -15.546 -7.058 7.870 1.00 1.35 C ATOM 1459 NE ARG A 92 -15.600 -5.884 8.765 1.00 2.48 N ATOM 1460 CZ ARG A 92 -16.495 -5.685 9.728 1.00 3.54 C ATOM 1461 NH1 ARG A 92 -17.429 -6.578 10.007 1.00 3.56 N ATOM 1462 NH2 ARG A 92 -16.463 -4.567 10.423 1.00 5.10 N ATOM 0 H ARG A 92 -12.950 -5.372 5.260 1.00 0.67 H new ATOM 0 HA ARG A 92 -12.858 -4.972 7.971 1.00 0.74 H new ATOM 0 HB2 ARG A 92 -12.527 -7.594 6.433 1.00 0.93 H new ATOM 0 HB3 ARG A 92 -12.990 -7.477 8.119 1.00 0.93 H new ATOM 0 HG2 ARG A 92 -14.692 -5.895 6.289 1.00 1.16 H new ATOM 0 HG3 ARG A 92 -14.722 -7.619 5.976 1.00 1.16 H new ATOM 0 HD2 ARG A 92 -16.533 -7.233 7.441 1.00 1.35 H new ATOM 0 HD3 ARG A 92 -15.289 -7.945 8.449 1.00 1.35 H new ATOM 0 HE ARG A 92 -14.890 -5.164 8.633 1.00 2.48 H new ATOM 0 HH11 ARG A 92 -17.477 -7.448 9.477 1.00 3.56 H new ATOM 0 HH12 ARG A 92 -18.102 -6.397 10.752 1.00 3.56 H new ATOM 0 HH21 ARG A 92 -15.755 -3.861 10.221 1.00 5.10 H new ATOM 0 HH22 ARG A 92 -17.146 -4.407 11.163 1.00 5.10 H new ATOM 1476 N TYR A 93 -10.049 -6.340 6.835 1.00 0.72 N ATOM 1477 CA TYR A 93 -8.618 -6.515 7.100 1.00 0.82 C ATOM 1478 C TYR A 93 -7.892 -5.209 7.476 1.00 1.15 C ATOM 1479 O TYR A 93 -7.181 -5.179 8.482 1.00 1.28 O ATOM 1480 CB TYR A 93 -7.933 -7.178 5.892 1.00 1.05 C ATOM 1481 CG TYR A 93 -7.268 -8.489 6.241 1.00 1.22 C ATOM 1482 CD1 TYR A 93 -6.178 -8.502 7.134 1.00 1.61 C ATOM 1483 CD2 TYR A 93 -7.762 -9.696 5.708 1.00 2.58 C ATOM 1484 CE1 TYR A 93 -5.546 -9.721 7.456 1.00 1.80 C ATOM 1485 CE2 TYR A 93 -7.144 -10.917 6.038 1.00 3.15 C ATOM 1486 CZ TYR A 93 -6.025 -10.931 6.898 1.00 2.32 C ATOM 1487 OH TYR A 93 -5.431 -12.118 7.195 1.00 3.03 O ATOM 0 H TYR A 93 -10.329 -6.622 5.896 1.00 0.72 H new ATOM 0 HA TYR A 93 -8.546 -7.164 7.973 1.00 0.82 H new ATOM 0 HB2 TYR A 93 -8.672 -7.348 5.109 1.00 1.05 H new ATOM 0 HB3 TYR A 93 -7.188 -6.496 5.483 1.00 1.05 H new ATOM 0 HD1 TYR A 93 -5.827 -7.579 7.572 1.00 1.61 H new ATOM 0 HD2 TYR A 93 -8.615 -9.684 5.046 1.00 2.58 H new ATOM 0 HE1 TYR A 93 -4.699 -9.732 8.126 1.00 1.80 H new ATOM 0 HE2 TYR A 93 -7.526 -11.843 5.633 1.00 3.15 H new ATOM 0 HH TYR A 93 -6.020 -12.854 6.928 1.00 3.03 H new ATOM 1497 N ALA A 94 -8.051 -4.141 6.690 1.00 0.84 N ATOM 1498 CA ALA A 94 -7.420 -2.840 6.940 1.00 0.92 C ATOM 1499 C ALA A 94 -7.848 -2.241 8.295 1.00 1.02 C ATOM 1500 O ALA A 94 -7.006 -1.870 9.123 1.00 1.02 O ATOM 1501 CB ALA A 94 -7.760 -1.925 5.753 1.00 1.15 C ATOM 0 H ALA A 94 -8.630 -4.155 5.850 1.00 0.84 H new ATOM 0 HA ALA A 94 -6.338 -2.953 7.015 1.00 0.92 H new ATOM 0 HB1 ALA A 94 -7.305 -0.946 5.906 1.00 1.15 H new ATOM 0 HB2 ALA A 94 -7.374 -2.364 4.833 1.00 1.15 H new ATOM 0 HB3 ALA A 94 -8.842 -1.815 5.677 1.00 1.15 H new ATOM 1507 N LYS A 95 -9.161 -2.229 8.556 1.00 0.81 N ATOM 1508 CA LYS A 95 -9.745 -1.742 9.805 1.00 0.90 C ATOM 1509 C LYS A 95 -9.311 -2.563 11.029 1.00 1.03 C ATOM 1510 O LYS A 95 -9.177 -1.975 12.103 1.00 1.26 O ATOM 1511 CB LYS A 95 -11.280 -1.744 9.732 1.00 1.14 C ATOM 1512 CG LYS A 95 -11.936 -0.938 8.602 1.00 1.58 C ATOM 1513 CD LYS A 95 -11.712 0.568 8.688 1.00 1.20 C ATOM 1514 CE LYS A 95 -12.578 1.219 7.607 1.00 1.24 C ATOM 1515 NZ LYS A 95 -12.232 2.642 7.426 1.00 2.07 N ATOM 0 H LYS A 95 -9.857 -2.564 7.891 1.00 0.81 H new ATOM 0 HA LYS A 95 -9.374 -0.725 9.928 1.00 0.90 H new ATOM 0 HB2 LYS A 95 -11.611 -2.779 9.644 1.00 1.14 H new ATOM 0 HB3 LYS A 95 -11.663 -1.367 10.680 1.00 1.14 H new ATOM 0 HG2 LYS A 95 -11.552 -1.296 7.647 1.00 1.58 H new ATOM 0 HG3 LYS A 95 -13.008 -1.134 8.608 1.00 1.58 H new ATOM 0 HD2 LYS A 95 -11.984 0.941 9.675 1.00 1.20 H new ATOM 0 HD3 LYS A 95 -10.660 0.809 8.535 1.00 1.20 H new ATOM 0 HE2 LYS A 95 -12.446 0.688 6.664 1.00 1.24 H new ATOM 0 HE3 LYS A 95 -13.630 1.130 7.879 1.00 1.24 H new ATOM 0 HZ1 LYS A 95 -13.007 3.128 6.931 1.00 2.07 H new ATOM 0 HZ2 LYS A 95 -12.084 3.084 8.356 1.00 2.07 H new ATOM 0 HZ3 LYS A 95 -11.361 2.719 6.864 1.00 2.07 H new ATOM 1529 N ALA A 96 -9.078 -3.880 10.886 1.00 0.79 N ATOM 1530 CA ALA A 96 -8.696 -4.758 11.998 1.00 0.90 C ATOM 1531 C ALA A 96 -7.327 -4.410 12.597 1.00 1.01 C ATOM 1532 O ALA A 96 -7.062 -4.754 13.746 1.00 1.32 O ATOM 1533 CB ALA A 96 -8.716 -6.212 11.516 1.00 0.97 C ATOM 0 H ALA A 96 -9.151 -4.364 9.991 1.00 0.79 H new ATOM 0 HA ALA A 96 -9.422 -4.613 12.798 1.00 0.90 H new ATOM 0 HB1 ALA A 96 -8.433 -6.871 12.337 1.00 0.97 H new ATOM 0 HB2 ALA A 96 -9.719 -6.468 11.174 1.00 0.97 H new ATOM 0 HB3 ALA A 96 -8.010 -6.333 10.694 1.00 0.97 H new ATOM 1539 N PHE A 97 -6.490 -3.702 11.832 1.00 0.83 N ATOM 1540 CA PHE A 97 -5.271 -3.066 12.325 1.00 0.85 C ATOM 1541 C PHE A 97 -5.505 -1.624 12.713 1.00 1.87 C ATOM 1542 O PHE A 97 -5.015 -1.188 13.755 1.00 2.21 O ATOM 1543 CB PHE A 97 -4.175 -3.191 11.267 1.00 0.89 C ATOM 1544 CG PHE A 97 -3.669 -4.602 11.330 1.00 1.05 C ATOM 1545 CD1 PHE A 97 -4.324 -5.606 10.602 1.00 2.47 C ATOM 1546 CD2 PHE A 97 -2.755 -4.929 12.342 1.00 2.13 C ATOM 1547 CE1 PHE A 97 -4.110 -6.952 10.929 1.00 2.61 C ATOM 1548 CE2 PHE A 97 -2.522 -6.280 12.652 1.00 2.11 C ATOM 1549 CZ PHE A 97 -3.213 -7.287 11.958 1.00 1.54 C ATOM 0 H PHE A 97 -6.646 -3.554 10.835 1.00 0.83 H new ATOM 0 HA PHE A 97 -4.951 -3.579 13.232 1.00 0.85 H new ATOM 0 HB2 PHE A 97 -4.568 -2.965 10.276 1.00 0.89 H new ATOM 0 HB3 PHE A 97 -3.369 -2.483 11.460 1.00 0.89 H new ATOM 0 HD1 PHE A 97 -4.990 -5.343 9.793 1.00 2.47 H new ATOM 0 HD2 PHE A 97 -2.235 -4.149 12.879 1.00 2.13 H new ATOM 0 HE1 PHE A 97 -4.633 -7.730 10.392 1.00 2.61 H new ATOM 0 HE2 PHE A 97 -1.813 -6.543 13.423 1.00 2.11 H new ATOM 0 HZ PHE A 97 -3.054 -8.324 12.216 1.00 1.54 H new ATOM 1559 N HIS A 98 -6.238 -0.869 11.892 1.00 0.89 N ATOM 1560 CA HIS A 98 -6.461 0.537 12.184 1.00 0.91 C ATOM 1561 C HIS A 98 -7.701 1.132 11.482 1.00 1.32 C ATOM 1562 O HIS A 98 -7.796 1.054 10.257 1.00 1.43 O ATOM 1563 CB HIS A 98 -5.166 1.291 11.841 1.00 1.01 C ATOM 1564 CG HIS A 98 -4.876 2.361 12.856 1.00 1.37 C ATOM 1565 ND1 HIS A 98 -4.744 3.708 12.625 1.00 2.04 N ATOM 1566 CD2 HIS A 98 -4.695 2.160 14.198 1.00 2.29 C ATOM 1567 CE1 HIS A 98 -4.521 4.304 13.811 1.00 2.91 C ATOM 1568 NE2 HIS A 98 -4.475 3.395 14.797 1.00 3.08 N ATOM 0 H HIS A 98 -6.678 -1.206 11.036 1.00 0.89 H new ATOM 0 HA HIS A 98 -6.693 0.648 13.243 1.00 0.91 H new ATOM 0 HB2 HIS A 98 -4.333 0.589 11.800 1.00 1.01 H new ATOM 0 HB3 HIS A 98 -5.254 1.739 10.851 1.00 1.01 H new ATOM 0 HD2 HIS A 98 -4.719 1.206 14.704 1.00 2.29 H new ATOM 0 HE1 HIS A 98 -4.396 5.368 13.950 1.00 2.91 H new ATOM 0 HE2 HIS A 98 -4.311 3.574 15.788 1.00 3.08 H new ATOM 1577 N PRO A 99 -8.638 1.771 12.216 1.00 1.10 N ATOM 1578 CA PRO A 99 -9.917 2.216 11.656 1.00 1.38 C ATOM 1579 C PRO A 99 -9.783 3.379 10.663 1.00 1.59 C ATOM 1580 O PRO A 99 -10.659 3.559 9.818 1.00 1.65 O ATOM 1581 CB PRO A 99 -10.779 2.595 12.865 1.00 1.69 C ATOM 1582 CG PRO A 99 -9.754 3.003 13.920 1.00 1.63 C ATOM 1583 CD PRO A 99 -8.592 2.053 13.644 1.00 1.22 C ATOM 0 HA PRO A 99 -10.368 1.421 11.062 1.00 1.38 H new ATOM 0 HB2 PRO A 99 -11.461 3.412 12.631 1.00 1.69 H new ATOM 0 HB3 PRO A 99 -11.389 1.757 13.201 1.00 1.69 H new ATOM 0 HG2 PRO A 99 -9.458 4.047 13.814 1.00 1.63 H new ATOM 0 HG3 PRO A 99 -10.144 2.883 14.931 1.00 1.63 H new ATOM 0 HD2 PRO A 99 -7.641 2.508 13.922 1.00 1.22 H new ATOM 0 HD3 PRO A 99 -8.690 1.137 14.226 1.00 1.22 H new ATOM 1591 N SER A 100 -8.681 4.135 10.721 1.00 1.50 N ATOM 1592 CA SER A 100 -8.358 5.179 9.737 1.00 1.72 C ATOM 1593 C SER A 100 -7.953 4.633 8.350 1.00 1.73 C ATOM 1594 O SER A 100 -7.741 5.415 7.426 1.00 2.07 O ATOM 1595 CB SER A 100 -7.246 6.062 10.325 1.00 1.93 C ATOM 1596 OG SER A 100 -7.218 7.340 9.722 1.00 2.36 O ATOM 0 H SER A 100 -7.982 4.040 11.457 1.00 1.50 H new ATOM 0 HA SER A 100 -9.264 5.757 9.555 1.00 1.72 H new ATOM 0 HB2 SER A 100 -7.397 6.170 11.399 1.00 1.93 H new ATOM 0 HB3 SER A 100 -6.282 5.573 10.186 1.00 1.93 H new ATOM 0 HG SER A 100 -6.451 7.846 10.062 1.00 2.36 H new ATOM 1602 N PHE A 101 -7.838 3.308 8.163 1.00 1.24 N ATOM 1603 CA PHE A 101 -7.362 2.724 6.902 1.00 1.11 C ATOM 1604 C PHE A 101 -8.540 2.301 6.012 1.00 1.99 C ATOM 1605 O PHE A 101 -9.680 2.222 6.472 1.00 2.45 O ATOM 1606 CB PHE A 101 -6.449 1.522 7.194 1.00 1.02 C ATOM 1607 CG PHE A 101 -5.135 1.767 7.924 1.00 1.52 C ATOM 1608 CD1 PHE A 101 -4.682 3.058 8.277 1.00 3.22 C ATOM 1609 CD2 PHE A 101 -4.321 0.653 8.197 1.00 2.00 C ATOM 1610 CE1 PHE A 101 -3.426 3.224 8.883 1.00 3.51 C ATOM 1611 CE2 PHE A 101 -3.054 0.823 8.778 1.00 2.24 C ATOM 1612 CZ PHE A 101 -2.603 2.111 9.108 1.00 2.50 C ATOM 0 H PHE A 101 -8.071 2.618 8.877 1.00 1.24 H new ATOM 0 HA PHE A 101 -6.791 3.481 6.364 1.00 1.11 H new ATOM 0 HB2 PHE A 101 -7.024 0.804 7.778 1.00 1.02 H new ATOM 0 HB3 PHE A 101 -6.215 1.044 6.242 1.00 1.02 H new ATOM 0 HD1 PHE A 101 -5.303 3.919 8.080 1.00 3.22 H new ATOM 0 HD2 PHE A 101 -4.673 -0.340 7.958 1.00 2.00 H new ATOM 0 HE1 PHE A 101 -3.094 4.209 9.176 1.00 3.51 H new ATOM 0 HE2 PHE A 101 -2.428 -0.035 8.971 1.00 2.24 H new ATOM 0 HZ PHE A 101 -1.620 2.245 9.536 1.00 2.50 H new ATOM 1622 N LEU A 102 -8.264 2.013 4.737 1.00 0.81 N ATOM 1623 CA LEU A 102 -9.273 1.595 3.745 1.00 0.73 C ATOM 1624 C LEU A 102 -8.759 0.429 2.884 1.00 0.90 C ATOM 1625 O LEU A 102 -7.601 0.440 2.462 1.00 1.16 O ATOM 1626 CB LEU A 102 -9.644 2.845 2.923 1.00 0.91 C ATOM 1627 CG LEU A 102 -10.520 2.657 1.666 1.00 0.94 C ATOM 1628 CD1 LEU A 102 -11.884 2.014 1.960 1.00 1.19 C ATOM 1629 CD2 LEU A 102 -10.764 4.034 1.025 1.00 1.85 C ATOM 0 H LEU A 102 -7.320 2.063 4.354 1.00 0.81 H new ATOM 0 HA LEU A 102 -10.169 1.208 4.230 1.00 0.73 H new ATOM 0 HB2 LEU A 102 -10.159 3.540 3.587 1.00 0.91 H new ATOM 0 HB3 LEU A 102 -8.717 3.328 2.614 1.00 0.91 H new ATOM 0 HG LEU A 102 -9.980 1.982 1.002 1.00 0.94 H new ATOM 0 HD11 LEU A 102 -12.446 1.912 1.032 1.00 1.19 H new ATOM 0 HD12 LEU A 102 -11.734 1.029 2.403 1.00 1.19 H new ATOM 0 HD13 LEU A 102 -12.441 2.643 2.654 1.00 1.19 H new ATOM 0 HD21 LEU A 102 -11.382 3.917 0.135 1.00 1.85 H new ATOM 0 HD22 LEU A 102 -11.274 4.682 1.738 1.00 1.85 H new ATOM 0 HD23 LEU A 102 -9.809 4.480 0.747 1.00 1.85 H new ATOM 1641 N GLY A 103 -9.630 -0.553 2.617 1.00 0.58 N ATOM 1642 CA GLY A 103 -9.368 -1.684 1.718 1.00 0.54 C ATOM 1643 C GLY A 103 -10.131 -1.577 0.399 1.00 0.67 C ATOM 1644 O GLY A 103 -11.351 -1.392 0.385 1.00 0.76 O ATOM 0 H GLY A 103 -10.561 -0.583 3.032 1.00 0.58 H new ATOM 0 HA2 GLY A 103 -8.299 -1.739 1.511 1.00 0.54 H new ATOM 0 HA3 GLY A 103 -9.644 -2.612 2.218 1.00 0.54 H new ATOM 1648 N LEU A 104 -9.397 -1.699 -0.710 1.00 0.55 N ATOM 1649 CA LEU A 104 -9.895 -1.569 -2.082 1.00 0.58 C ATOM 1650 C LEU A 104 -9.764 -2.891 -2.855 1.00 1.08 C ATOM 1651 O LEU A 104 -8.679 -3.467 -2.961 1.00 1.31 O ATOM 1652 CB LEU A 104 -9.131 -0.431 -2.787 1.00 0.60 C ATOM 1653 CG LEU A 104 -9.254 0.958 -2.120 1.00 0.82 C ATOM 1654 CD1 LEU A 104 -8.494 2.003 -2.949 1.00 0.89 C ATOM 1655 CD2 LEU A 104 -10.710 1.422 -1.960 1.00 1.23 C ATOM 0 H LEU A 104 -8.398 -1.899 -0.675 1.00 0.55 H new ATOM 0 HA LEU A 104 -10.957 -1.326 -2.054 1.00 0.58 H new ATOM 0 HB2 LEU A 104 -8.076 -0.700 -2.837 1.00 0.60 H new ATOM 0 HB3 LEU A 104 -9.490 -0.356 -3.814 1.00 0.60 H new ATOM 0 HG LEU A 104 -8.825 0.861 -1.123 1.00 0.82 H new ATOM 0 HD11 LEU A 104 -8.584 2.980 -2.474 1.00 0.89 H new ATOM 0 HD12 LEU A 104 -7.442 1.725 -3.009 1.00 0.89 H new ATOM 0 HD13 LEU A 104 -8.916 2.047 -3.953 1.00 0.89 H new ATOM 0 HD21 LEU A 104 -10.729 2.403 -1.486 1.00 1.23 H new ATOM 0 HD22 LEU A 104 -11.182 1.484 -2.941 1.00 1.23 H new ATOM 0 HD23 LEU A 104 -11.253 0.709 -1.340 1.00 1.23 H new ATOM 1667 N SER A 105 -10.883 -3.360 -3.403 1.00 0.63 N ATOM 1668 CA SER A 105 -10.991 -4.485 -4.329 1.00 0.69 C ATOM 1669 C SER A 105 -12.107 -4.251 -5.333 1.00 0.98 C ATOM 1670 O SER A 105 -13.090 -3.583 -5.019 1.00 1.30 O ATOM 1671 CB SER A 105 -11.356 -5.782 -3.613 1.00 0.92 C ATOM 1672 OG SER A 105 -10.382 -6.149 -2.687 1.00 2.27 O ATOM 0 H SER A 105 -11.791 -2.941 -3.201 1.00 0.63 H new ATOM 0 HA SER A 105 -10.015 -4.565 -4.808 1.00 0.69 H new ATOM 0 HB2 SER A 105 -12.313 -5.661 -3.106 1.00 0.92 H new ATOM 0 HB3 SER A 105 -11.481 -6.580 -4.345 1.00 0.92 H new ATOM 0 HG SER A 105 -10.648 -6.983 -2.246 1.00 2.27 H new ATOM 1678 N GLY A 106 -12.016 -4.896 -6.495 1.00 0.73 N ATOM 1679 CA GLY A 106 -13.068 -4.844 -7.500 1.00 0.80 C ATOM 1680 C GLY A 106 -12.723 -5.557 -8.787 1.00 0.80 C ATOM 1681 O GLY A 106 -11.930 -6.499 -8.788 1.00 0.89 O ATOM 0 H GLY A 106 -11.213 -5.466 -6.762 1.00 0.73 H new ATOM 0 HA2 GLY A 106 -13.975 -5.283 -7.085 1.00 0.80 H new ATOM 0 HA3 GLY A 106 -13.292 -3.801 -7.723 1.00 0.80 H new ATOM 1685 N SER A 107 -13.333 -5.108 -9.879 1.00 0.74 N ATOM 1686 CA SER A 107 -13.104 -5.705 -11.204 1.00 0.76 C ATOM 1687 C SER A 107 -11.604 -5.765 -11.570 1.00 0.88 C ATOM 1688 O SER A 107 -10.864 -4.795 -11.333 1.00 0.97 O ATOM 1689 CB SER A 107 -13.909 -4.978 -12.285 1.00 0.96 C ATOM 1690 OG SER A 107 -15.266 -5.372 -12.214 1.00 2.59 O ATOM 0 H SER A 107 -13.993 -4.330 -9.879 1.00 0.74 H new ATOM 0 HA SER A 107 -13.458 -6.735 -11.152 1.00 0.76 H new ATOM 0 HB2 SER A 107 -13.826 -3.900 -12.151 1.00 0.96 H new ATOM 0 HB3 SER A 107 -13.504 -5.209 -13.270 1.00 0.96 H new ATOM 0 HG SER A 107 -15.779 -4.904 -12.906 1.00 2.59 H new ATOM 1696 N PRO A 108 -11.120 -6.891 -12.139 1.00 0.81 N ATOM 1697 CA PRO A 108 -9.693 -7.143 -12.328 1.00 1.02 C ATOM 1698 C PRO A 108 -9.032 -6.146 -13.286 1.00 1.25 C ATOM 1699 O PRO A 108 -7.831 -5.929 -13.186 1.00 1.13 O ATOM 1700 CB PRO A 108 -9.581 -8.588 -12.822 1.00 1.18 C ATOM 1701 CG PRO A 108 -10.941 -8.863 -13.459 1.00 1.08 C ATOM 1702 CD PRO A 108 -11.895 -8.032 -12.604 1.00 0.89 C ATOM 0 HA PRO A 108 -9.153 -7.005 -11.391 1.00 1.02 H new ATOM 0 HB2 PRO A 108 -8.771 -8.702 -13.543 1.00 1.18 H new ATOM 0 HB3 PRO A 108 -9.377 -9.276 -12.002 1.00 1.18 H new ATOM 0 HG2 PRO A 108 -10.966 -8.557 -14.505 1.00 1.08 H new ATOM 0 HG3 PRO A 108 -11.193 -9.923 -13.431 1.00 1.08 H new ATOM 0 HD2 PRO A 108 -12.758 -7.708 -13.185 1.00 0.89 H new ATOM 0 HD3 PRO A 108 -12.276 -8.614 -11.765 1.00 0.89 H new ATOM 1710 N GLU A 109 -9.807 -5.477 -14.146 1.00 0.90 N ATOM 1711 CA GLU A 109 -9.357 -4.368 -14.992 1.00 0.93 C ATOM 1712 C GLU A 109 -8.896 -3.180 -14.133 1.00 1.12 C ATOM 1713 O GLU A 109 -7.792 -2.666 -14.316 1.00 1.32 O ATOM 1714 CB GLU A 109 -10.498 -3.901 -15.922 1.00 1.14 C ATOM 1715 CG GLU A 109 -11.009 -4.948 -16.924 1.00 1.20 C ATOM 1716 CD GLU A 109 -11.662 -6.165 -16.264 1.00 2.02 C ATOM 1717 OE1 GLU A 109 -12.333 -5.980 -15.220 1.00 3.04 O ATOM 1718 OE2 GLU A 109 -11.392 -7.286 -16.737 1.00 2.76 O ATOM 0 H GLU A 109 -10.794 -5.699 -14.276 1.00 0.90 H new ATOM 0 HA GLU A 109 -8.520 -4.726 -15.591 1.00 0.93 H new ATOM 0 HB2 GLU A 109 -11.336 -3.576 -15.305 1.00 1.14 H new ATOM 0 HB3 GLU A 109 -10.155 -3.029 -16.479 1.00 1.14 H new ATOM 0 HG2 GLU A 109 -11.731 -4.477 -17.592 1.00 1.20 H new ATOM 0 HG3 GLU A 109 -10.176 -5.284 -17.541 1.00 1.20 H new ATOM 1725 N ALA A 110 -9.718 -2.785 -13.151 1.00 0.78 N ATOM 1726 CA ALA A 110 -9.442 -1.703 -12.204 1.00 0.75 C ATOM 1727 C ALA A 110 -8.305 -2.081 -11.247 1.00 0.88 C ATOM 1728 O ALA A 110 -7.392 -1.288 -11.045 1.00 0.93 O ATOM 1729 CB ALA A 110 -10.734 -1.353 -11.451 1.00 0.79 C ATOM 0 H ALA A 110 -10.623 -3.227 -12.991 1.00 0.78 H new ATOM 0 HA ALA A 110 -9.106 -0.821 -12.749 1.00 0.75 H new ATOM 0 HB1 ALA A 110 -10.536 -0.548 -10.744 1.00 0.79 H new ATOM 0 HB2 ALA A 110 -11.494 -1.032 -12.163 1.00 0.79 H new ATOM 0 HB3 ALA A 110 -11.090 -2.231 -10.911 1.00 0.79 H new ATOM 1735 N VAL A 111 -8.290 -3.319 -10.734 1.00 0.74 N ATOM 1736 CA VAL A 111 -7.121 -3.807 -9.974 1.00 0.76 C ATOM 1737 C VAL A 111 -5.842 -3.727 -10.829 1.00 1.16 C ATOM 1738 O VAL A 111 -4.786 -3.310 -10.348 1.00 1.07 O ATOM 1739 CB VAL A 111 -7.351 -5.239 -9.431 1.00 0.73 C ATOM 1740 CG1 VAL A 111 -6.082 -5.852 -8.819 1.00 1.04 C ATOM 1741 CG2 VAL A 111 -8.468 -5.232 -8.371 1.00 1.21 C ATOM 0 H VAL A 111 -9.052 -3.990 -10.825 1.00 0.74 H new ATOM 0 HA VAL A 111 -6.989 -3.155 -9.110 1.00 0.76 H new ATOM 0 HB VAL A 111 -7.640 -5.853 -10.284 1.00 0.73 H new ATOM 0 HG11 VAL A 111 -6.302 -6.856 -8.455 1.00 1.04 H new ATOM 0 HG12 VAL A 111 -5.301 -5.904 -9.577 1.00 1.04 H new ATOM 0 HG13 VAL A 111 -5.742 -5.232 -7.990 1.00 1.04 H new ATOM 0 HG21 VAL A 111 -8.621 -6.244 -7.997 1.00 1.21 H new ATOM 0 HG22 VAL A 111 -8.183 -4.579 -7.546 1.00 1.21 H new ATOM 0 HG23 VAL A 111 -9.392 -4.868 -8.819 1.00 1.21 H new ATOM 1751 N ARG A 112 -5.928 -4.084 -12.119 1.00 0.81 N ATOM 1752 CA ARG A 112 -4.790 -4.064 -13.041 1.00 0.82 C ATOM 1753 C ARG A 112 -4.344 -2.649 -13.444 1.00 1.10 C ATOM 1754 O ARG A 112 -3.147 -2.463 -13.679 1.00 1.20 O ATOM 1755 CB ARG A 112 -5.075 -4.971 -14.244 1.00 0.83 C ATOM 1756 CG ARG A 112 -3.793 -5.186 -15.053 1.00 1.40 C ATOM 1757 CD ARG A 112 -3.858 -6.430 -15.933 1.00 1.85 C ATOM 1758 NE ARG A 112 -2.553 -6.620 -16.587 1.00 2.80 N ATOM 1759 CZ ARG A 112 -1.546 -7.378 -16.182 1.00 4.12 C ATOM 1760 NH1 ARG A 112 -1.677 -8.309 -15.255 1.00 4.95 N ATOM 1761 NH2 ARG A 112 -0.363 -7.172 -16.720 1.00 5.30 N ATOM 0 H ARG A 112 -6.797 -4.397 -12.552 1.00 0.81 H new ATOM 0 HA ARG A 112 -3.929 -4.467 -12.507 1.00 0.82 H new ATOM 0 HB2 ARG A 112 -5.465 -5.930 -13.903 1.00 0.83 H new ATOM 0 HB3 ARG A 112 -5.842 -4.522 -14.875 1.00 0.83 H new ATOM 0 HG2 ARG A 112 -3.611 -4.312 -15.678 1.00 1.40 H new ATOM 0 HG3 ARG A 112 -2.947 -5.271 -14.371 1.00 1.40 H new ATOM 0 HD2 ARG A 112 -4.109 -7.304 -15.332 1.00 1.85 H new ATOM 0 HD3 ARG A 112 -4.643 -6.322 -16.682 1.00 1.85 H new ATOM 0 HE ARG A 112 -2.407 -6.106 -17.456 1.00 2.80 H new ATOM 0 HH11 ARG A 112 -2.584 -8.469 -14.818 1.00 4.95 H new ATOM 0 HH12 ARG A 112 -0.871 -8.868 -14.976 1.00 4.95 H new ATOM 0 HH21 ARG A 112 -0.243 -6.446 -17.426 1.00 5.30 H new ATOM 0 HH22 ARG A 112 0.434 -7.738 -16.431 1.00 5.30 H new ATOM 1775 N GLU A 113 -5.246 -1.665 -13.472 1.00 0.82 N ATOM 1776 CA GLU A 113 -4.976 -0.237 -13.648 1.00 0.94 C ATOM 1777 C GLU A 113 -3.885 0.279 -12.690 1.00 1.12 C ATOM 1778 O GLU A 113 -2.789 0.657 -13.125 1.00 1.11 O ATOM 1779 CB GLU A 113 -6.331 0.472 -13.431 1.00 1.23 C ATOM 1780 CG GLU A 113 -6.679 1.523 -14.477 1.00 1.99 C ATOM 1781 CD GLU A 113 -6.331 2.959 -14.086 1.00 3.77 C ATOM 1782 OE1 GLU A 113 -6.425 3.298 -12.882 1.00 5.32 O ATOM 1783 OE2 GLU A 113 -6.035 3.734 -15.015 1.00 4.21 O ATOM 0 H GLU A 113 -6.242 -1.855 -13.366 1.00 0.82 H new ATOM 0 HA GLU A 113 -4.578 -0.033 -14.642 1.00 0.94 H new ATOM 0 HB2 GLU A 113 -7.120 -0.280 -13.416 1.00 1.23 H new ATOM 0 HB3 GLU A 113 -6.324 0.946 -12.449 1.00 1.23 H new ATOM 0 HG2 GLU A 113 -6.160 1.278 -15.404 1.00 1.99 H new ATOM 0 HG3 GLU A 113 -7.747 1.467 -14.686 1.00 1.99 H new ATOM 1790 N ALA A 114 -4.124 0.186 -11.375 1.00 0.79 N ATOM 1791 CA ALA A 114 -3.178 0.672 -10.372 1.00 0.83 C ATOM 1792 C ALA A 114 -1.897 -0.169 -10.353 1.00 0.95 C ATOM 1793 O ALA A 114 -0.793 0.371 -10.286 1.00 1.06 O ATOM 1794 CB ALA A 114 -3.889 0.664 -9.019 1.00 1.10 C ATOM 0 H ALA A 114 -4.971 -0.225 -10.983 1.00 0.79 H new ATOM 0 HA ALA A 114 -2.862 1.687 -10.614 1.00 0.83 H new ATOM 0 HB1 ALA A 114 -3.207 1.022 -8.248 1.00 1.10 H new ATOM 0 HB2 ALA A 114 -4.762 1.315 -9.063 1.00 1.10 H new ATOM 0 HB3 ALA A 114 -4.205 -0.351 -8.780 1.00 1.10 H new ATOM 1800 N ALA A 115 -2.041 -1.495 -10.455 1.00 0.72 N ATOM 1801 CA ALA A 115 -0.926 -2.428 -10.395 1.00 0.69 C ATOM 1802 C ALA A 115 0.100 -2.159 -11.500 1.00 0.83 C ATOM 1803 O ALA A 115 1.284 -1.996 -11.206 1.00 0.89 O ATOM 1804 CB ALA A 115 -1.479 -3.853 -10.486 1.00 0.83 C ATOM 0 H ALA A 115 -2.946 -1.948 -10.583 1.00 0.72 H new ATOM 0 HA ALA A 115 -0.400 -2.297 -9.449 1.00 0.69 H new ATOM 0 HB1 ALA A 115 -0.656 -4.566 -10.443 1.00 0.83 H new ATOM 0 HB2 ALA A 115 -2.159 -4.033 -9.654 1.00 0.83 H new ATOM 0 HB3 ALA A 115 -2.016 -3.976 -11.427 1.00 0.83 H new ATOM 1810 N GLN A 116 -0.336 -2.073 -12.762 1.00 0.62 N ATOM 1811 CA GLN A 116 0.574 -1.822 -13.880 1.00 0.69 C ATOM 1812 C GLN A 116 1.280 -0.477 -13.751 1.00 1.11 C ATOM 1813 O GLN A 116 2.472 -0.416 -14.033 1.00 1.24 O ATOM 1814 CB GLN A 116 -0.169 -1.871 -15.223 1.00 0.78 C ATOM 1815 CG GLN A 116 -0.536 -3.304 -15.636 1.00 1.21 C ATOM 1816 CD GLN A 116 -1.111 -3.417 -17.052 1.00 1.95 C ATOM 1817 OE1 GLN A 116 -1.097 -4.489 -17.645 1.00 2.26 O ATOM 1818 NE2 GLN A 116 -1.624 -2.367 -17.661 1.00 3.10 N ATOM 0 H GLN A 116 -1.314 -2.174 -13.032 1.00 0.62 H new ATOM 0 HA GLN A 116 1.323 -2.613 -13.850 1.00 0.69 H new ATOM 0 HB2 GLN A 116 -1.077 -1.271 -15.155 1.00 0.78 H new ATOM 0 HB3 GLN A 116 0.453 -1.421 -15.996 1.00 0.78 H new ATOM 0 HG2 GLN A 116 0.353 -3.931 -15.565 1.00 1.21 H new ATOM 0 HG3 GLN A 116 -1.263 -3.701 -14.927 1.00 1.21 H new ATOM 0 HE21 GLN A 116 -1.647 -1.464 -17.188 1.00 3.10 H new ATOM 0 HE22 GLN A 116 -1.998 -2.458 -18.606 1.00 3.10 H new ATOM 1827 N THR A 117 0.566 0.561 -13.305 1.00 0.63 N ATOM 1828 CA THR A 117 1.075 1.939 -13.212 1.00 0.71 C ATOM 1829 C THR A 117 2.188 2.056 -12.170 1.00 1.00 C ATOM 1830 O THR A 117 3.196 2.720 -12.395 1.00 0.97 O ATOM 1831 CB THR A 117 -0.106 2.872 -12.903 1.00 0.83 C ATOM 1832 OG1 THR A 117 -1.056 2.712 -13.934 1.00 1.14 O ATOM 1833 CG2 THR A 117 0.289 4.349 -12.862 1.00 1.08 C ATOM 0 H THR A 117 -0.400 0.469 -12.992 1.00 0.63 H new ATOM 0 HA THR A 117 1.523 2.232 -14.162 1.00 0.71 H new ATOM 0 HB THR A 117 -0.491 2.605 -11.919 1.00 0.83 H new ATOM 0 HG1 THR A 117 -1.684 1.999 -13.693 1.00 1.14 H new ATOM 0 HG21 THR A 117 -0.590 4.955 -12.639 1.00 1.08 H new ATOM 0 HG22 THR A 117 1.041 4.503 -12.089 1.00 1.08 H new ATOM 0 HG23 THR A 117 0.697 4.643 -13.829 1.00 1.08 H new ATOM 1841 N PHE A 118 1.995 1.406 -11.023 1.00 0.64 N ATOM 1842 CA PHE A 118 2.970 1.297 -9.936 1.00 0.71 C ATOM 1843 C PHE A 118 4.112 0.292 -10.209 1.00 1.72 C ATOM 1844 O PHE A 118 5.129 0.336 -9.519 1.00 2.09 O ATOM 1845 CB PHE A 118 2.206 1.051 -8.622 1.00 0.81 C ATOM 1846 CG PHE A 118 1.565 2.311 -8.041 1.00 0.97 C ATOM 1847 CD1 PHE A 118 0.679 3.114 -8.791 1.00 2.19 C ATOM 1848 CD2 PHE A 118 1.899 2.715 -6.736 1.00 1.97 C ATOM 1849 CE1 PHE A 118 0.202 4.328 -8.271 1.00 2.14 C ATOM 1850 CE2 PHE A 118 1.383 3.906 -6.194 1.00 2.11 C ATOM 1851 CZ PHE A 118 0.549 4.723 -6.972 1.00 1.29 C ATOM 0 H PHE A 118 1.121 0.922 -10.816 1.00 0.64 H new ATOM 0 HA PHE A 118 3.512 2.239 -9.852 1.00 0.71 H new ATOM 0 HB2 PHE A 118 1.430 0.306 -8.797 1.00 0.81 H new ATOM 0 HB3 PHE A 118 2.891 0.630 -7.886 1.00 0.81 H new ATOM 0 HD1 PHE A 118 0.365 2.792 -9.773 1.00 2.19 H new ATOM 0 HD2 PHE A 118 2.561 2.102 -6.142 1.00 1.97 H new ATOM 0 HE1 PHE A 118 -0.434 4.959 -8.874 1.00 2.14 H new ATOM 0 HE2 PHE A 118 1.628 4.191 -5.182 1.00 2.11 H new ATOM 0 HZ PHE A 118 0.176 5.654 -6.571 1.00 1.29 H new ATOM 1861 N GLY A 119 3.954 -0.616 -11.187 1.00 0.70 N ATOM 1862 CA GLY A 119 4.938 -1.654 -11.548 1.00 0.73 C ATOM 1863 C GLY A 119 4.730 -3.004 -10.851 1.00 0.80 C ATOM 1864 O GLY A 119 5.616 -3.855 -10.878 1.00 0.88 O ATOM 0 H GLY A 119 3.115 -0.650 -11.765 1.00 0.70 H new ATOM 0 HA2 GLY A 119 4.904 -1.808 -12.626 1.00 0.73 H new ATOM 0 HA3 GLY A 119 5.936 -1.287 -11.310 1.00 0.73 H new ATOM 1868 N VAL A 120 3.566 -3.211 -10.242 1.00 0.64 N ATOM 1869 CA VAL A 120 3.157 -4.449 -9.558 1.00 0.63 C ATOM 1870 C VAL A 120 2.733 -5.504 -10.581 1.00 0.77 C ATOM 1871 O VAL A 120 1.946 -5.228 -11.491 1.00 0.97 O ATOM 1872 CB VAL A 120 2.002 -4.175 -8.571 1.00 0.73 C ATOM 1873 CG1 VAL A 120 1.349 -5.433 -7.967 1.00 0.89 C ATOM 1874 CG2 VAL A 120 2.506 -3.293 -7.427 1.00 1.25 C ATOM 0 H VAL A 120 2.844 -2.491 -10.206 1.00 0.64 H new ATOM 0 HA VAL A 120 4.011 -4.824 -8.994 1.00 0.63 H new ATOM 0 HB VAL A 120 1.230 -3.682 -9.162 1.00 0.73 H new ATOM 0 HG11 VAL A 120 0.550 -5.137 -7.287 1.00 0.89 H new ATOM 0 HG12 VAL A 120 0.936 -6.048 -8.767 1.00 0.89 H new ATOM 0 HG13 VAL A 120 2.098 -6.004 -7.419 1.00 0.89 H new ATOM 0 HG21 VAL A 120 1.690 -3.100 -6.730 1.00 1.25 H new ATOM 0 HG22 VAL A 120 3.316 -3.802 -6.905 1.00 1.25 H new ATOM 0 HG23 VAL A 120 2.871 -2.348 -7.830 1.00 1.25 H new ATOM 1884 N PHE A 121 3.227 -6.732 -10.393 1.00 0.66 N ATOM 1885 CA PHE A 121 2.874 -7.894 -11.203 1.00 0.71 C ATOM 1886 C PHE A 121 2.459 -9.085 -10.332 1.00 1.59 C ATOM 1887 O PHE A 121 2.989 -9.321 -9.246 1.00 1.60 O ATOM 1888 CB PHE A 121 4.034 -8.237 -12.153 1.00 0.77 C ATOM 1889 CG PHE A 121 5.362 -8.536 -11.480 1.00 0.80 C ATOM 1890 CD1 PHE A 121 6.252 -7.486 -11.183 1.00 1.74 C ATOM 1891 CD2 PHE A 121 5.713 -9.862 -11.157 1.00 2.19 C ATOM 1892 CE1 PHE A 121 7.484 -7.762 -10.563 1.00 1.68 C ATOM 1893 CE2 PHE A 121 6.946 -10.138 -10.541 1.00 2.09 C ATOM 1894 CZ PHE A 121 7.833 -9.087 -10.245 1.00 1.03 C ATOM 0 H PHE A 121 3.898 -6.947 -9.656 1.00 0.66 H new ATOM 0 HA PHE A 121 2.003 -7.649 -11.810 1.00 0.71 H new ATOM 0 HB2 PHE A 121 3.747 -9.101 -12.752 1.00 0.77 H new ATOM 0 HB3 PHE A 121 4.175 -7.404 -12.842 1.00 0.77 H new ATOM 0 HD1 PHE A 121 5.989 -6.468 -11.431 1.00 1.74 H new ATOM 0 HD2 PHE A 121 5.032 -10.669 -11.384 1.00 2.19 H new ATOM 0 HE1 PHE A 121 8.163 -6.955 -10.331 1.00 1.68 H new ATOM 0 HE2 PHE A 121 7.212 -11.155 -10.295 1.00 2.09 H new ATOM 0 HZ PHE A 121 8.782 -9.297 -9.774 1.00 1.03 H new ATOM 1904 N TYR A 122 1.478 -9.836 -10.823 1.00 0.69 N ATOM 1905 CA TYR A 122 0.993 -11.067 -10.205 1.00 0.68 C ATOM 1906 C TYR A 122 0.620 -12.104 -11.272 1.00 1.06 C ATOM 1907 O TYR A 122 0.177 -11.740 -12.367 1.00 1.14 O ATOM 1908 CB TYR A 122 -0.144 -10.763 -9.219 1.00 0.80 C ATOM 1909 CG TYR A 122 -1.451 -10.295 -9.834 1.00 0.93 C ATOM 1910 CD1 TYR A 122 -1.561 -9.006 -10.401 1.00 1.76 C ATOM 1911 CD2 TYR A 122 -2.581 -11.136 -9.786 1.00 2.09 C ATOM 1912 CE1 TYR A 122 -2.791 -8.569 -10.930 1.00 1.88 C ATOM 1913 CE2 TYR A 122 -3.813 -10.701 -10.300 1.00 2.30 C ATOM 1914 CZ TYR A 122 -3.920 -9.417 -10.877 1.00 1.57 C ATOM 1915 OH TYR A 122 -5.114 -8.987 -11.363 1.00 2.00 O ATOM 0 H TYR A 122 0.985 -9.600 -11.684 1.00 0.69 H new ATOM 0 HA TYR A 122 1.795 -11.516 -9.619 1.00 0.68 H new ATOM 0 HB2 TYR A 122 -0.342 -11.662 -8.635 1.00 0.80 H new ATOM 0 HB3 TYR A 122 0.201 -9.999 -8.522 1.00 0.80 H new ATOM 0 HD1 TYR A 122 -0.700 -8.354 -10.429 1.00 1.76 H new ATOM 0 HD2 TYR A 122 -2.499 -12.121 -9.351 1.00 2.09 H new ATOM 0 HE1 TYR A 122 -2.871 -7.588 -11.375 1.00 1.88 H new ATOM 0 HE2 TYR A 122 -4.677 -11.347 -10.254 1.00 2.30 H new ATOM 0 HH TYR A 122 -5.786 -9.692 -11.251 1.00 2.00 H new ATOM 1925 N GLN A 123 0.851 -13.383 -10.986 1.00 0.74 N ATOM 1926 CA GLN A 123 0.486 -14.514 -11.842 1.00 0.88 C ATOM 1927 C GLN A 123 0.024 -15.668 -10.946 1.00 1.07 C ATOM 1928 O GLN A 123 -0.004 -15.521 -9.729 1.00 1.36 O ATOM 1929 CB GLN A 123 1.662 -14.910 -12.766 1.00 1.14 C ATOM 1930 CG GLN A 123 2.059 -13.781 -13.735 1.00 2.16 C ATOM 1931 CD GLN A 123 3.025 -14.206 -14.840 1.00 2.65 C ATOM 1932 OE1 GLN A 123 2.756 -14.055 -16.018 1.00 3.33 O ATOM 1933 NE2 GLN A 123 4.187 -14.728 -14.512 1.00 3.09 N ATOM 0 H GLN A 123 1.313 -13.673 -10.124 1.00 0.74 H new ATOM 0 HA GLN A 123 -0.334 -14.239 -12.505 1.00 0.88 H new ATOM 0 HB2 GLN A 123 2.524 -15.180 -12.156 1.00 1.14 H new ATOM 0 HB3 GLN A 123 1.387 -15.796 -13.339 1.00 1.14 H new ATOM 0 HG2 GLN A 123 1.156 -13.379 -14.194 1.00 2.16 H new ATOM 0 HG3 GLN A 123 2.514 -12.972 -13.164 1.00 2.16 H new ATOM 0 HE21 GLN A 123 4.427 -14.861 -13.530 1.00 3.09 H new ATOM 0 HE22 GLN A 123 4.848 -15.000 -15.240 1.00 3.09 H new ATOM 1942 N LYS A 124 -0.341 -16.813 -11.526 1.00 1.16 N ATOM 1943 CA LYS A 124 -0.626 -18.032 -10.765 1.00 1.34 C ATOM 1944 C LYS A 124 -0.081 -19.277 -11.483 1.00 1.65 C ATOM 1945 O LYS A 124 -0.074 -19.356 -12.713 1.00 1.99 O ATOM 1946 CB LYS A 124 -2.115 -18.116 -10.347 1.00 1.50 C ATOM 1947 CG LYS A 124 -3.155 -17.544 -11.332 1.00 1.62 C ATOM 1948 CD LYS A 124 -4.595 -17.666 -10.794 1.00 1.88 C ATOM 1949 CE LYS A 124 -4.897 -16.800 -9.561 1.00 2.71 C ATOM 1950 NZ LYS A 124 -5.046 -15.367 -9.900 1.00 3.51 N ATOM 0 H LYS A 124 -0.447 -16.922 -12.535 1.00 1.16 H new ATOM 0 HA LYS A 124 -0.083 -17.990 -9.821 1.00 1.34 H new ATOM 0 HB2 LYS A 124 -2.358 -19.164 -10.169 1.00 1.50 H new ATOM 0 HB3 LYS A 124 -2.229 -17.597 -9.395 1.00 1.50 H new ATOM 0 HG2 LYS A 124 -2.930 -16.496 -11.528 1.00 1.62 H new ATOM 0 HG3 LYS A 124 -3.079 -18.069 -12.284 1.00 1.62 H new ATOM 0 HD2 LYS A 124 -5.289 -17.396 -11.590 1.00 1.88 H new ATOM 0 HD3 LYS A 124 -4.787 -18.709 -10.544 1.00 1.88 H new ATOM 0 HE2 LYS A 124 -5.812 -17.155 -9.086 1.00 2.71 H new ATOM 0 HE3 LYS A 124 -4.094 -16.917 -8.833 1.00 2.71 H new ATOM 0 HZ1 LYS A 124 -5.265 -14.827 -9.038 1.00 3.51 H new ATOM 0 HZ2 LYS A 124 -4.159 -15.014 -10.313 1.00 3.51 H new ATOM 0 HZ3 LYS A 124 -5.818 -15.251 -10.587 1.00 3.51 H new ATOM 2120 N VAL A 135 -0.411 -18.878 -6.163 1.00 1.55 N ATOM 2121 CA VAL A 135 -0.446 -17.507 -6.708 1.00 1.30 C ATOM 2122 C VAL A 135 0.836 -16.750 -6.347 1.00 1.48 C ATOM 2123 O VAL A 135 1.285 -16.769 -5.203 1.00 1.53 O ATOM 2124 CB VAL A 135 -1.727 -16.749 -6.276 1.00 1.48 C ATOM 2125 CG1 VAL A 135 -1.832 -16.507 -4.762 1.00 2.38 C ATOM 2126 CG2 VAL A 135 -1.895 -15.434 -7.049 1.00 1.84 C ATOM 0 HA VAL A 135 -0.488 -17.574 -7.795 1.00 1.30 H new ATOM 0 HB VAL A 135 -2.550 -17.416 -6.533 1.00 1.48 H new ATOM 0 HG11 VAL A 135 -2.756 -15.972 -4.542 1.00 2.38 H new ATOM 0 HG12 VAL A 135 -1.834 -17.464 -4.240 1.00 2.38 H new ATOM 0 HG13 VAL A 135 -0.981 -15.914 -4.428 1.00 2.38 H new ATOM 0 HG21 VAL A 135 -2.804 -14.931 -6.719 1.00 1.84 H new ATOM 0 HG22 VAL A 135 -1.036 -14.790 -6.862 1.00 1.84 H new ATOM 0 HG23 VAL A 135 -1.965 -15.646 -8.116 1.00 1.84 H new ATOM 2136 N ASP A 136 1.426 -16.111 -7.354 1.00 0.96 N ATOM 2137 CA ASP A 136 2.714 -15.426 -7.329 1.00 1.01 C ATOM 2138 C ASP A 136 2.481 -13.903 -7.238 1.00 1.03 C ATOM 2139 O ASP A 136 2.247 -13.241 -8.245 1.00 1.28 O ATOM 2140 CB ASP A 136 3.479 -15.780 -8.620 1.00 1.31 C ATOM 2141 CG ASP A 136 3.609 -17.287 -8.904 1.00 2.72 C ATOM 2142 OD1 ASP A 136 4.562 -17.901 -8.377 1.00 3.52 O ATOM 2143 OD2 ASP A 136 2.791 -17.812 -9.700 1.00 3.82 O ATOM 0 H ASP A 136 0.985 -16.055 -8.272 1.00 0.96 H new ATOM 0 HA ASP A 136 3.299 -15.739 -6.464 1.00 1.01 H new ATOM 0 HB2 ASP A 136 2.976 -15.308 -9.464 1.00 1.31 H new ATOM 0 HB3 ASP A 136 4.478 -15.348 -8.563 1.00 1.31 H new ATOM 2148 N HIS A 137 2.512 -13.327 -6.032 1.00 0.84 N ATOM 2149 CA HIS A 137 2.200 -11.905 -5.800 1.00 1.00 C ATOM 2150 C HIS A 137 3.433 -10.999 -5.537 1.00 1.07 C ATOM 2151 O HIS A 137 4.277 -11.300 -4.679 1.00 1.16 O ATOM 2152 CB HIS A 137 1.132 -11.796 -4.688 1.00 1.47 C ATOM 2153 CG HIS A 137 1.486 -12.337 -3.315 1.00 2.02 C ATOM 2154 ND1 HIS A 137 2.738 -12.471 -2.763 1.00 3.14 N ATOM 2155 CD2 HIS A 137 0.594 -12.722 -2.350 1.00 2.29 C ATOM 2156 CE1 HIS A 137 2.600 -12.914 -1.504 1.00 3.50 C ATOM 2157 NE2 HIS A 137 1.303 -13.077 -1.194 1.00 2.86 N ATOM 0 H HIS A 137 2.755 -13.834 -5.181 1.00 0.84 H new ATOM 0 HA HIS A 137 1.798 -11.509 -6.733 1.00 1.00 H new ATOM 0 HB2 HIS A 137 0.870 -10.744 -4.577 1.00 1.47 H new ATOM 0 HB3 HIS A 137 0.236 -12.313 -5.032 1.00 1.47 H new ATOM 0 HD1 HIS A 137 3.621 -12.268 -3.231 1.00 3.14 H new ATOM 0 HD2 HIS A 137 -0.480 -12.748 -2.461 1.00 2.29 H new ATOM 0 HE1 HIS A 137 3.421 -13.113 -0.831 1.00 3.50 H new ATOM 2166 N THR A 138 3.491 -9.822 -6.193 1.00 0.84 N ATOM 2167 CA THR A 138 4.424 -8.732 -5.840 1.00 0.88 C ATOM 2168 C THR A 138 3.921 -8.011 -4.592 1.00 1.36 C ATOM 2169 O THR A 138 3.372 -6.914 -4.644 1.00 2.07 O ATOM 2170 CB THR A 138 4.682 -7.779 -7.020 1.00 0.95 C ATOM 2171 OG1 THR A 138 5.251 -8.530 -8.055 1.00 1.53 O ATOM 2172 CG2 THR A 138 5.678 -6.654 -6.718 1.00 1.08 C ATOM 0 H THR A 138 2.889 -9.600 -6.986 1.00 0.84 H new ATOM 0 HA THR A 138 5.397 -9.166 -5.609 1.00 0.88 H new ATOM 0 HB THR A 138 3.722 -7.323 -7.263 1.00 0.95 H new ATOM 0 HG1 THR A 138 4.544 -9.001 -8.544 1.00 1.53 H new ATOM 0 HG21 THR A 138 5.801 -6.030 -7.603 1.00 1.08 H new ATOM 0 HG22 THR A 138 5.302 -6.046 -5.895 1.00 1.08 H new ATOM 0 HG23 THR A 138 6.640 -7.085 -6.441 1.00 1.08 H new ATOM 2180 N ALA A 139 4.111 -8.652 -3.438 1.00 0.94 N ATOM 2181 CA ALA A 139 3.850 -8.067 -2.120 1.00 0.96 C ATOM 2182 C ALA A 139 4.826 -6.904 -1.842 1.00 0.91 C ATOM 2183 O ALA A 139 5.940 -7.126 -1.353 1.00 1.23 O ATOM 2184 CB ALA A 139 3.940 -9.178 -1.059 1.00 1.28 C ATOM 0 H ALA A 139 4.457 -9.610 -3.391 1.00 0.94 H new ATOM 0 HA ALA A 139 2.847 -7.642 -2.086 1.00 0.96 H new ATOM 0 HB1 ALA A 139 3.748 -8.756 -0.073 1.00 1.28 H new ATOM 0 HB2 ALA A 139 3.199 -9.948 -1.275 1.00 1.28 H new ATOM 0 HB3 ALA A 139 4.937 -9.618 -1.077 1.00 1.28 H new ATOM 2190 N THR A 140 4.464 -5.666 -2.198 1.00 0.91 N ATOM 2191 CA THR A 140 5.314 -4.461 -2.072 1.00 0.86 C ATOM 2192 C THR A 140 4.479 -3.256 -1.644 1.00 0.95 C ATOM 2193 O THR A 140 3.257 -3.241 -1.813 1.00 1.23 O ATOM 2194 CB THR A 140 6.106 -4.251 -3.374 1.00 0.88 C ATOM 2195 OG1 THR A 140 7.118 -5.229 -3.355 1.00 1.32 O ATOM 2196 CG2 THR A 140 6.860 -2.931 -3.551 1.00 0.87 C ATOM 0 H THR A 140 3.546 -5.462 -2.594 1.00 0.91 H new ATOM 0 HA THR A 140 6.051 -4.596 -1.280 1.00 0.86 H new ATOM 0 HB THR A 140 5.361 -4.284 -4.169 1.00 0.88 H new ATOM 0 HG1 THR A 140 7.663 -5.151 -4.165 1.00 1.32 H new ATOM 0 HG21 THR A 140 7.369 -2.929 -4.515 1.00 0.87 H new ATOM 0 HG22 THR A 140 6.155 -2.101 -3.512 1.00 0.87 H new ATOM 0 HG23 THR A 140 7.594 -2.821 -2.753 1.00 0.87 H new ATOM 2204 N THR A 141 5.142 -2.264 -1.044 1.00 0.69 N ATOM 2205 CA THR A 141 4.555 -0.997 -0.595 1.00 0.65 C ATOM 2206 C THR A 141 5.174 0.135 -1.407 1.00 0.85 C ATOM 2207 O THR A 141 6.355 0.095 -1.750 1.00 0.94 O ATOM 2208 CB THR A 141 4.788 -0.738 0.900 1.00 0.78 C ATOM 2209 OG1 THR A 141 4.817 -1.926 1.654 1.00 1.15 O ATOM 2210 CG2 THR A 141 3.733 0.189 1.504 1.00 1.20 C ATOM 0 H THR A 141 6.142 -2.323 -0.850 1.00 0.69 H new ATOM 0 HA THR A 141 3.477 -1.050 -0.747 1.00 0.65 H new ATOM 0 HB THR A 141 5.764 -0.255 0.951 1.00 0.78 H new ATOM 0 HG1 THR A 141 4.969 -1.711 2.598 1.00 1.15 H new ATOM 0 HG21 THR A 141 3.944 0.339 2.563 1.00 1.20 H new ATOM 0 HG22 THR A 141 3.755 1.150 0.989 1.00 1.20 H new ATOM 0 HG23 THR A 141 2.746 -0.260 1.391 1.00 1.20 H new ATOM 2218 N PHE A 142 4.383 1.160 -1.692 1.00 0.57 N ATOM 2219 CA PHE A 142 4.747 2.272 -2.562 1.00 0.55 C ATOM 2220 C PHE A 142 4.402 3.590 -1.874 1.00 1.78 C ATOM 2221 O PHE A 142 3.270 3.770 -1.419 1.00 2.12 O ATOM 2222 CB PHE A 142 3.983 2.141 -3.887 1.00 0.55 C ATOM 2223 CG PHE A 142 4.278 0.865 -4.653 1.00 0.68 C ATOM 2224 CD1 PHE A 142 3.647 -0.341 -4.293 1.00 2.23 C ATOM 2225 CD2 PHE A 142 5.185 0.884 -5.727 1.00 1.90 C ATOM 2226 CE1 PHE A 142 3.967 -1.534 -4.962 1.00 2.15 C ATOM 2227 CE2 PHE A 142 5.504 -0.309 -6.395 1.00 1.88 C ATOM 2228 CZ PHE A 142 4.908 -1.518 -6.005 1.00 0.79 C ATOM 0 H PHE A 142 3.440 1.244 -1.312 1.00 0.57 H new ATOM 0 HA PHE A 142 5.818 2.255 -2.765 1.00 0.55 H new ATOM 0 HB2 PHE A 142 2.913 2.190 -3.683 1.00 0.55 H new ATOM 0 HB3 PHE A 142 4.226 2.995 -4.519 1.00 0.55 H new ATOM 0 HD1 PHE A 142 2.914 -0.349 -3.500 1.00 2.23 H new ATOM 0 HD2 PHE A 142 5.636 1.815 -6.038 1.00 1.90 H new ATOM 0 HE1 PHE A 142 3.491 -2.460 -4.676 1.00 2.15 H new ATOM 0 HE2 PHE A 142 6.210 -0.296 -7.212 1.00 1.88 H new ATOM 0 HZ PHE A 142 5.173 -2.437 -6.507 1.00 0.79 H new ATOM 2238 N VAL A 143 5.358 4.513 -1.823 1.00 0.52 N ATOM 2239 CA VAL A 143 5.178 5.838 -1.220 1.00 0.50 C ATOM 2240 C VAL A 143 4.942 6.861 -2.320 1.00 0.76 C ATOM 2241 O VAL A 143 5.851 7.204 -3.084 1.00 0.95 O ATOM 2242 CB VAL A 143 6.386 6.249 -0.353 1.00 0.55 C ATOM 2243 CG1 VAL A 143 6.232 7.672 0.205 1.00 0.77 C ATOM 2244 CG2 VAL A 143 6.530 5.269 0.818 1.00 0.90 C ATOM 0 H VAL A 143 6.293 4.364 -2.203 1.00 0.52 H new ATOM 0 HA VAL A 143 4.312 5.797 -0.559 1.00 0.50 H new ATOM 0 HB VAL A 143 7.272 6.226 -0.987 1.00 0.55 H new ATOM 0 HG11 VAL A 143 7.104 7.922 0.810 1.00 0.77 H new ATOM 0 HG12 VAL A 143 6.148 8.379 -0.620 1.00 0.77 H new ATOM 0 HG13 VAL A 143 5.335 7.726 0.822 1.00 0.77 H new ATOM 0 HG21 VAL A 143 7.383 5.558 1.432 1.00 0.90 H new ATOM 0 HG22 VAL A 143 5.624 5.290 1.424 1.00 0.90 H new ATOM 0 HG23 VAL A 143 6.685 4.261 0.432 1.00 0.90 H new ATOM 2254 N VAL A 144 3.715 7.383 -2.334 1.00 0.50 N ATOM 2255 CA VAL A 144 3.363 8.593 -3.082 1.00 0.53 C ATOM 2256 C VAL A 144 3.080 9.742 -2.122 1.00 1.00 C ATOM 2257 O VAL A 144 2.355 9.600 -1.136 1.00 0.94 O ATOM 2258 CB VAL A 144 2.181 8.436 -4.071 1.00 0.68 C ATOM 2259 CG1 VAL A 144 2.466 7.385 -5.144 1.00 2.01 C ATOM 2260 CG2 VAL A 144 0.839 8.125 -3.399 1.00 2.04 C ATOM 0 H VAL A 144 2.931 6.976 -1.823 1.00 0.50 H new ATOM 0 HA VAL A 144 4.235 8.806 -3.700 1.00 0.53 H new ATOM 0 HB VAL A 144 2.089 9.417 -4.537 1.00 0.68 H new ATOM 0 HG11 VAL A 144 1.610 7.309 -5.815 1.00 2.01 H new ATOM 0 HG12 VAL A 144 3.349 7.676 -5.713 1.00 2.01 H new ATOM 0 HG13 VAL A 144 2.642 6.420 -4.670 1.00 2.01 H new ATOM 0 HG21 VAL A 144 0.064 8.030 -4.160 1.00 2.04 H new ATOM 0 HG22 VAL A 144 0.918 7.190 -2.844 1.00 2.04 H new ATOM 0 HG23 VAL A 144 0.579 8.933 -2.715 1.00 2.04 H new ATOM 2270 N LYS A 145 3.639 10.897 -2.452 1.00 0.79 N ATOM 2271 CA LYS A 145 3.243 12.204 -1.931 1.00 0.90 C ATOM 2272 C LYS A 145 2.560 12.934 -3.095 1.00 1.03 C ATOM 2273 O LYS A 145 3.040 12.797 -4.220 1.00 1.23 O ATOM 2274 CB LYS A 145 4.528 12.936 -1.498 1.00 0.93 C ATOM 2275 CG LYS A 145 4.284 14.229 -0.694 1.00 1.18 C ATOM 2276 CD LYS A 145 5.444 15.240 -0.843 1.00 1.83 C ATOM 2277 CE LYS A 145 6.067 15.720 0.475 1.00 2.24 C ATOM 2278 NZ LYS A 145 5.084 16.323 1.407 1.00 1.73 N ATOM 0 H LYS A 145 4.411 10.955 -3.116 1.00 0.79 H new ATOM 0 HA LYS A 145 2.568 12.146 -1.077 1.00 0.90 H new ATOM 0 HB2 LYS A 145 5.133 12.257 -0.897 1.00 0.93 H new ATOM 0 HB3 LYS A 145 5.110 13.180 -2.387 1.00 0.93 H new ATOM 0 HG2 LYS A 145 3.356 14.692 -1.028 1.00 1.18 H new ATOM 0 HG3 LYS A 145 4.155 13.980 0.359 1.00 1.18 H new ATOM 0 HD2 LYS A 145 6.226 14.784 -1.451 1.00 1.83 H new ATOM 0 HD3 LYS A 145 5.079 16.109 -1.391 1.00 1.83 H new ATOM 0 HE2 LYS A 145 6.553 14.877 0.967 1.00 2.24 H new ATOM 0 HE3 LYS A 145 6.844 16.452 0.255 1.00 2.24 H new ATOM 0 HZ1 LYS A 145 5.578 16.944 2.079 1.00 1.73 H new ATOM 0 HZ2 LYS A 145 4.390 16.879 0.868 1.00 1.73 H new ATOM 0 HZ3 LYS A 145 4.593 15.569 1.929 1.00 1.73 H new ATOM 2292 N GLU A 146 1.492 13.704 -2.882 1.00 1.15 N ATOM 2293 CA GLU A 146 1.124 14.812 -3.795 1.00 1.31 C ATOM 2294 C GLU A 146 0.455 14.359 -5.115 1.00 1.49 C ATOM 2295 O GLU A 146 0.030 15.188 -5.917 1.00 2.01 O ATOM 2296 CB GLU A 146 2.384 15.630 -4.112 1.00 1.39 C ATOM 2297 CG GLU A 146 2.182 17.121 -4.384 1.00 1.56 C ATOM 2298 CD GLU A 146 3.508 17.692 -4.871 1.00 1.74 C ATOM 2299 OE1 GLU A 146 4.567 17.139 -4.496 1.00 2.38 O ATOM 2300 OE2 GLU A 146 3.531 18.623 -5.694 1.00 2.70 O ATOM 0 H GLU A 146 0.861 13.589 -2.089 1.00 1.15 H new ATOM 0 HA GLU A 146 0.375 15.409 -3.274 1.00 1.31 H new ATOM 0 HB2 GLU A 146 3.076 15.527 -3.276 1.00 1.39 H new ATOM 0 HB3 GLU A 146 2.867 15.187 -4.983 1.00 1.39 H new ATOM 0 HG2 GLU A 146 1.404 17.270 -5.133 1.00 1.56 H new ATOM 0 HG3 GLU A 146 1.855 17.633 -3.479 1.00 1.56 H new ATOM 2307 N GLY A 147 0.410 13.044 -5.384 1.00 1.02 N ATOM 2308 CA GLY A 147 0.128 12.469 -6.707 1.00 1.00 C ATOM 2309 C GLY A 147 1.381 12.045 -7.487 1.00 1.01 C ATOM 2310 O GLY A 147 1.315 11.919 -8.707 1.00 1.20 O ATOM 0 H GLY A 147 0.573 12.335 -4.669 1.00 1.02 H new ATOM 0 HA2 GLY A 147 -0.521 11.602 -6.583 1.00 1.00 H new ATOM 0 HA3 GLY A 147 -0.425 13.199 -7.298 1.00 1.00 H new ATOM 2314 N ARG A 148 2.540 11.820 -6.840 1.00 0.84 N ATOM 2315 CA ARG A 148 3.790 11.384 -7.488 1.00 0.85 C ATOM 2316 C ARG A 148 4.577 10.343 -6.680 1.00 1.10 C ATOM 2317 O ARG A 148 4.646 10.425 -5.455 1.00 1.32 O ATOM 2318 CB ARG A 148 4.686 12.581 -7.863 1.00 1.07 C ATOM 2319 CG ARG A 148 4.736 13.757 -6.880 1.00 1.56 C ATOM 2320 CD ARG A 148 5.836 14.712 -7.355 1.00 1.68 C ATOM 2321 NE ARG A 148 5.824 16.024 -6.687 1.00 2.35 N ATOM 2322 CZ ARG A 148 6.408 17.144 -7.096 1.00 2.70 C ATOM 2323 NH1 ARG A 148 7.222 17.188 -8.130 1.00 3.07 N ATOM 2324 NH2 ARG A 148 6.181 18.261 -6.454 1.00 3.33 N ATOM 0 H ARG A 148 2.635 11.939 -5.831 1.00 0.84 H new ATOM 0 HA ARG A 148 3.478 10.884 -8.405 1.00 0.85 H new ATOM 0 HB2 ARG A 148 5.702 12.212 -7.999 1.00 1.07 H new ATOM 0 HB3 ARG A 148 4.353 12.962 -8.828 1.00 1.07 H new ATOM 0 HG2 ARG A 148 3.774 14.268 -6.845 1.00 1.56 H new ATOM 0 HG3 ARG A 148 4.946 13.403 -5.870 1.00 1.56 H new ATOM 0 HD2 ARG A 148 6.806 14.242 -7.191 1.00 1.68 H new ATOM 0 HD3 ARG A 148 5.732 14.863 -8.430 1.00 1.68 H new ATOM 0 HE ARG A 148 5.308 16.079 -5.809 1.00 2.35 H new ATOM 0 HH11 ARG A 148 7.427 16.337 -8.654 1.00 3.07 H new ATOM 0 HH12 ARG A 148 7.647 18.073 -8.407 1.00 3.07 H new ATOM 0 HH21 ARG A 148 5.559 18.267 -5.645 1.00 3.33 H new ATOM 0 HH22 ARG A 148 6.626 19.126 -6.762 1.00 3.33 H new ATOM 2338 N LEU A 149 5.206 9.370 -7.357 1.00 0.68 N ATOM 2339 CA LEU A 149 5.894 8.237 -6.713 1.00 0.56 C ATOM 2340 C LEU A 149 7.287 8.716 -6.297 1.00 0.93 C ATOM 2341 O LEU A 149 7.964 9.338 -7.115 1.00 1.26 O ATOM 2342 CB LEU A 149 5.950 7.030 -7.687 1.00 0.60 C ATOM 2343 CG LEU A 149 5.834 5.574 -7.156 1.00 0.76 C ATOM 2344 CD1 LEU A 149 6.135 5.366 -5.666 1.00 1.80 C ATOM 2345 CD2 LEU A 149 4.454 4.968 -7.439 1.00 2.32 C ATOM 0 H LEU A 149 5.253 9.346 -8.376 1.00 0.68 H new ATOM 0 HA LEU A 149 5.358 7.897 -5.827 1.00 0.56 H new ATOM 0 HB2 LEU A 149 5.152 7.170 -8.416 1.00 0.60 H new ATOM 0 HB3 LEU A 149 6.893 7.099 -8.229 1.00 0.60 H new ATOM 0 HG LEU A 149 6.621 5.066 -7.713 1.00 0.76 H new ATOM 0 HD11 LEU A 149 6.021 4.311 -5.416 1.00 1.80 H new ATOM 0 HD12 LEU A 149 7.157 5.681 -5.454 1.00 1.80 H new ATOM 0 HD13 LEU A 149 5.442 5.958 -5.069 1.00 1.80 H new ATOM 0 HD21 LEU A 149 4.417 3.950 -7.051 1.00 2.32 H new ATOM 0 HD22 LEU A 149 3.686 5.570 -6.953 1.00 2.32 H new ATOM 0 HD23 LEU A 149 4.277 4.953 -8.514 1.00 2.32 H new ATOM 2357 N VAL A 150 7.704 8.440 -5.056 1.00 0.70 N ATOM 2358 CA VAL A 150 9.014 8.864 -4.513 1.00 0.91 C ATOM 2359 C VAL A 150 9.856 7.717 -3.925 1.00 1.27 C ATOM 2360 O VAL A 150 11.084 7.732 -4.062 1.00 1.64 O ATOM 2361 CB VAL A 150 8.858 10.016 -3.480 1.00 1.08 C ATOM 2362 CG1 VAL A 150 8.393 11.314 -4.167 1.00 1.59 C ATOM 2363 CG2 VAL A 150 7.884 9.708 -2.329 1.00 1.41 C ATOM 0 H VAL A 150 7.142 7.912 -4.389 1.00 0.70 H new ATOM 0 HA VAL A 150 9.570 9.233 -5.375 1.00 0.91 H new ATOM 0 HB VAL A 150 9.852 10.133 -3.048 1.00 1.08 H new ATOM 0 HG11 VAL A 150 8.292 12.104 -3.422 1.00 1.59 H new ATOM 0 HG12 VAL A 150 9.127 11.613 -4.915 1.00 1.59 H new ATOM 0 HG13 VAL A 150 7.431 11.145 -4.650 1.00 1.59 H new ATOM 0 HG21 VAL A 150 7.835 10.563 -1.655 1.00 1.41 H new ATOM 0 HG22 VAL A 150 6.892 9.508 -2.735 1.00 1.41 H new ATOM 0 HG23 VAL A 150 8.234 8.834 -1.780 1.00 1.41 H new ATOM 2373 N LEU A 151 9.237 6.689 -3.325 1.00 0.74 N ATOM 2374 CA LEU A 151 9.935 5.669 -2.528 1.00 0.75 C ATOM 2375 C LEU A 151 9.199 4.323 -2.538 1.00 1.15 C ATOM 2376 O LEU A 151 7.975 4.288 -2.683 1.00 1.26 O ATOM 2377 CB LEU A 151 10.111 6.218 -1.091 1.00 0.74 C ATOM 2378 CG LEU A 151 11.584 6.483 -0.733 1.00 0.90 C ATOM 2379 CD1 LEU A 151 11.733 7.611 0.283 1.00 0.95 C ATOM 2380 CD2 LEU A 151 12.220 5.205 -0.183 1.00 0.94 C ATOM 0 H LEU A 151 8.229 6.541 -3.380 1.00 0.74 H new ATOM 0 HA LEU A 151 10.912 5.471 -2.969 1.00 0.75 H new ATOM 0 HB2 LEU A 151 9.544 7.143 -0.988 1.00 0.74 H new ATOM 0 HB3 LEU A 151 9.691 5.506 -0.380 1.00 0.74 H new ATOM 0 HG LEU A 151 12.095 6.791 -1.645 1.00 0.90 H new ATOM 0 HD11 LEU A 151 12.789 7.763 0.506 1.00 0.95 H new ATOM 0 HD12 LEU A 151 11.313 8.529 -0.128 1.00 0.95 H new ATOM 0 HD13 LEU A 151 11.203 7.348 1.199 1.00 0.95 H new ATOM 0 HD21 LEU A 151 13.263 5.397 0.069 1.00 0.94 H new ATOM 0 HD22 LEU A 151 11.683 4.887 0.711 1.00 0.94 H new ATOM 0 HD23 LEU A 151 12.168 4.419 -0.937 1.00 0.94 H new ATOM 2392 N LEU A 152 9.934 3.224 -2.370 1.00 0.90 N ATOM 2393 CA LEU A 152 9.379 1.877 -2.238 1.00 0.99 C ATOM 2394 C LEU A 152 9.681 1.313 -0.847 1.00 1.52 C ATOM 2395 O LEU A 152 10.712 1.602 -0.237 1.00 1.67 O ATOM 2396 CB LEU A 152 9.938 0.949 -3.336 1.00 1.23 C ATOM 2397 CG LEU A 152 9.814 1.457 -4.782 1.00 1.17 C ATOM 2398 CD1 LEU A 152 10.496 0.460 -5.730 1.00 1.66 C ATOM 2399 CD2 LEU A 152 8.349 1.639 -5.192 1.00 1.07 C ATOM 0 H LEU A 152 10.953 3.246 -2.321 1.00 0.90 H new ATOM 0 HA LEU A 152 8.297 1.934 -2.361 1.00 0.99 H new ATOM 0 HB2 LEU A 152 10.992 0.766 -3.126 1.00 1.23 H new ATOM 0 HB3 LEU A 152 9.428 -0.012 -3.265 1.00 1.23 H new ATOM 0 HG LEU A 152 10.302 2.430 -4.845 1.00 1.17 H new ATOM 0 HD11 LEU A 152 10.410 0.817 -6.756 1.00 1.66 H new ATOM 0 HD12 LEU A 152 11.549 0.368 -5.465 1.00 1.66 H new ATOM 0 HD13 LEU A 152 10.013 -0.513 -5.643 1.00 1.66 H new ATOM 0 HD21 LEU A 152 8.301 1.999 -6.220 1.00 1.07 H new ATOM 0 HD22 LEU A 152 7.829 0.684 -5.117 1.00 1.07 H new ATOM 0 HD23 LEU A 152 7.874 2.364 -4.531 1.00 1.07 H new ATOM 2411 N TYR A 153 8.769 0.469 -0.386 1.00 1.14 N ATOM 2412 CA TYR A 153 8.827 -0.275 0.863 1.00 1.35 C ATOM 2413 C TYR A 153 8.428 -1.743 0.648 1.00 1.69 C ATOM 2414 O TYR A 153 8.001 -2.171 -0.423 1.00 1.58 O ATOM 2415 CB TYR A 153 7.979 0.441 1.929 1.00 1.30 C ATOM 2416 CG TYR A 153 8.836 1.206 2.898 1.00 1.29 C ATOM 2417 CD1 TYR A 153 9.315 2.482 2.552 1.00 1.63 C ATOM 2418 CD2 TYR A 153 9.229 0.595 4.103 1.00 2.56 C ATOM 2419 CE1 TYR A 153 10.206 3.151 3.406 1.00 1.77 C ATOM 2420 CE2 TYR A 153 10.136 1.249 4.949 1.00 2.71 C ATOM 2421 CZ TYR A 153 10.621 2.528 4.605 1.00 1.67 C ATOM 2422 OH TYR A 153 11.490 3.141 5.437 1.00 2.16 O ATOM 0 H TYR A 153 7.915 0.274 -0.908 1.00 1.14 H new ATOM 0 HA TYR A 153 9.853 -0.300 1.232 1.00 1.35 H new ATOM 0 HB2 TYR A 153 7.282 1.123 1.442 1.00 1.30 H new ATOM 0 HB3 TYR A 153 7.381 -0.292 2.471 1.00 1.30 H new ATOM 0 HD1 TYR A 153 8.998 2.947 1.630 1.00 1.63 H new ATOM 0 HD2 TYR A 153 8.834 -0.373 4.375 1.00 2.56 H new ATOM 0 HE1 TYR A 153 10.572 4.134 3.149 1.00 1.77 H new ATOM 0 HE2 TYR A 153 10.463 0.774 5.862 1.00 2.71 H new ATOM 0 HH TYR A 153 12.056 3.756 4.924 1.00 2.16 H new ATOM 2432 N SER A 154 8.622 -2.576 1.658 1.00 2.29 N ATOM 2433 CA SER A 154 8.500 -4.036 1.585 1.00 2.04 C ATOM 2434 C SER A 154 8.346 -4.549 3.026 1.00 2.08 C ATOM 2435 O SER A 154 8.733 -3.799 3.926 1.00 2.16 O ATOM 2436 CB SER A 154 9.756 -4.659 0.920 1.00 1.90 C ATOM 2437 OG SER A 154 10.274 -3.910 -0.180 1.00 2.17 O ATOM 0 H SER A 154 8.879 -2.248 2.589 1.00 2.29 H new ATOM 0 HA SER A 154 7.640 -4.318 0.978 1.00 2.04 H new ATOM 0 HB2 SER A 154 10.537 -4.763 1.673 1.00 1.90 H new ATOM 0 HB3 SER A 154 9.509 -5.663 0.576 1.00 1.90 H new ATOM 0 HG SER A 154 10.703 -4.519 -0.817 1.00 2.17 H new ATOM 2443 N PRO A 155 7.844 -5.771 3.280 1.00 1.77 N ATOM 2444 CA PRO A 155 7.835 -6.328 4.634 1.00 1.76 C ATOM 2445 C PRO A 155 9.263 -6.375 5.204 1.00 1.56 C ATOM 2446 O PRO A 155 9.480 -5.944 6.333 1.00 1.61 O ATOM 2447 CB PRO A 155 7.174 -7.705 4.499 1.00 1.89 C ATOM 2448 CG PRO A 155 7.385 -8.082 3.033 1.00 1.66 C ATOM 2449 CD PRO A 155 7.315 -6.734 2.323 1.00 1.81 C ATOM 0 HA PRO A 155 7.277 -5.720 5.346 1.00 1.76 H new ATOM 0 HB2 PRO A 155 7.633 -8.434 5.167 1.00 1.89 H new ATOM 0 HB3 PRO A 155 6.114 -7.664 4.751 1.00 1.89 H new ATOM 0 HG2 PRO A 155 8.346 -8.572 2.876 1.00 1.66 H new ATOM 0 HG3 PRO A 155 6.616 -8.767 2.677 1.00 1.66 H new ATOM 0 HD2 PRO A 155 7.903 -6.741 1.405 1.00 1.81 H new ATOM 0 HD3 PRO A 155 6.290 -6.489 2.043 1.00 1.81 H new ATOM 2457 N ASP A 156 10.231 -6.776 4.368 1.00 1.10 N ATOM 2458 CA ASP A 156 11.694 -6.754 4.543 1.00 1.00 C ATOM 2459 C ASP A 156 12.309 -5.332 4.612 1.00 1.16 C ATOM 2460 O ASP A 156 13.269 -4.985 3.926 1.00 2.22 O ATOM 2461 CB ASP A 156 12.258 -7.599 3.380 1.00 1.34 C ATOM 2462 CG ASP A 156 13.782 -7.760 3.402 1.00 1.71 C ATOM 2463 OD1 ASP A 156 14.280 -8.232 4.447 1.00 3.17 O ATOM 2464 OD2 ASP A 156 14.408 -7.413 2.373 1.00 2.28 O ATOM 0 H ASP A 156 9.985 -7.164 3.457 1.00 1.10 H new ATOM 0 HA ASP A 156 11.965 -7.170 5.513 1.00 1.00 H new ATOM 0 HB2 ASP A 156 11.799 -8.587 3.408 1.00 1.34 H new ATOM 0 HB3 ASP A 156 11.966 -7.138 2.436 1.00 1.34 H new ATOM 2469 N LYS A 157 11.689 -4.474 5.422 1.00 1.48 N ATOM 2470 CA LYS A 157 12.042 -3.096 5.790 1.00 1.49 C ATOM 2471 C LYS A 157 10.932 -2.437 6.623 1.00 1.82 C ATOM 2472 O LYS A 157 11.236 -1.879 7.669 1.00 1.99 O ATOM 2473 CB LYS A 157 12.509 -2.224 4.597 1.00 1.52 C ATOM 2474 CG LYS A 157 11.564 -2.219 3.382 1.00 2.60 C ATOM 2475 CD LYS A 157 12.260 -1.911 2.053 1.00 3.12 C ATOM 2476 CE LYS A 157 13.120 -3.110 1.627 1.00 3.19 C ATOM 2477 NZ LYS A 157 13.217 -3.237 0.155 1.00 4.44 N ATOM 0 H LYS A 157 10.829 -4.757 5.891 1.00 1.48 H new ATOM 0 HA LYS A 157 12.923 -3.168 6.427 1.00 1.49 H new ATOM 0 HB2 LYS A 157 12.635 -1.198 4.944 1.00 1.52 H new ATOM 0 HB3 LYS A 157 13.489 -2.573 4.274 1.00 1.52 H new ATOM 0 HG2 LYS A 157 11.078 -3.192 3.309 1.00 2.60 H new ATOM 0 HG3 LYS A 157 10.779 -1.482 3.549 1.00 2.60 H new ATOM 0 HD2 LYS A 157 11.518 -1.693 1.285 1.00 3.12 H new ATOM 0 HD3 LYS A 157 12.883 -1.023 2.155 1.00 3.12 H new ATOM 0 HE2 LYS A 157 14.120 -3.004 2.047 1.00 3.19 H new ATOM 0 HE3 LYS A 157 12.695 -4.024 2.041 1.00 3.19 H new ATOM 0 HZ1 LYS A 157 13.912 -3.972 -0.085 1.00 4.44 H new ATOM 0 HZ2 LYS A 157 12.288 -3.499 -0.233 1.00 4.44 H new ATOM 0 HZ3 LYS A 157 13.519 -2.329 -0.253 1.00 4.44 H new ATOM 2491 N ALA A 158 9.653 -2.572 6.244 1.00 1.39 N ATOM 2492 CA ALA A 158 8.502 -2.026 6.985 1.00 1.50 C ATOM 2493 C ALA A 158 8.438 -2.518 8.443 1.00 1.71 C ATOM 2494 O ALA A 158 8.163 -1.720 9.340 1.00 1.78 O ATOM 2495 CB ALA A 158 7.211 -2.375 6.229 1.00 1.62 C ATOM 0 H ALA A 158 9.382 -3.073 5.398 1.00 1.39 H new ATOM 0 HA ALA A 158 8.621 -0.944 7.042 1.00 1.50 H new ATOM 0 HB1 ALA A 158 6.353 -1.975 6.770 1.00 1.62 H new ATOM 0 HB2 ALA A 158 7.245 -1.940 5.230 1.00 1.62 H new ATOM 0 HB3 ALA A 158 7.117 -3.458 6.150 1.00 1.62 H new ATOM 2501 N GLU A 159 8.760 -3.797 8.669 1.00 1.39 N ATOM 2502 CA GLU A 159 8.888 -4.424 9.993 1.00 1.39 C ATOM 2503 C GLU A 159 9.693 -3.575 11.000 1.00 1.61 C ATOM 2504 O GLU A 159 9.307 -3.459 12.167 1.00 1.72 O ATOM 2505 CB GLU A 159 9.530 -5.809 9.780 1.00 1.28 C ATOM 2506 CG GLU A 159 8.508 -6.831 9.266 1.00 1.73 C ATOM 2507 CD GLU A 159 7.568 -7.288 10.376 1.00 2.52 C ATOM 2508 OE1 GLU A 159 7.975 -8.196 11.128 1.00 3.43 O ATOM 2509 OE2 GLU A 159 6.446 -6.733 10.448 1.00 3.33 O ATOM 0 H GLU A 159 8.946 -4.449 7.907 1.00 1.39 H new ATOM 0 HA GLU A 159 7.899 -4.514 10.442 1.00 1.39 H new ATOM 0 HB2 GLU A 159 10.351 -5.725 9.068 1.00 1.28 H new ATOM 0 HB3 GLU A 159 9.957 -6.161 10.719 1.00 1.28 H new ATOM 0 HG2 GLU A 159 7.928 -6.391 8.455 1.00 1.73 H new ATOM 0 HG3 GLU A 159 9.031 -7.693 8.852 1.00 1.73 H new ATOM 2516 N ALA A 160 10.741 -2.873 10.545 1.00 1.35 N ATOM 2517 CA ALA A 160 11.466 -1.855 11.319 1.00 1.30 C ATOM 2518 C ALA A 160 10.643 -0.552 11.479 1.00 1.42 C ATOM 2519 O ALA A 160 10.995 0.520 10.972 1.00 1.42 O ATOM 2520 CB ALA A 160 12.850 -1.647 10.690 1.00 1.31 C ATOM 0 H ALA A 160 11.117 -3.001 9.605 1.00 1.35 H new ATOM 0 HA ALA A 160 11.616 -2.203 12.341 1.00 1.30 H new ATOM 0 HB1 ALA A 160 13.397 -0.893 11.256 1.00 1.31 H new ATOM 0 HB2 ALA A 160 13.403 -2.586 10.708 1.00 1.31 H new ATOM 0 HB3 ALA A 160 12.735 -1.313 9.659 1.00 1.31 H new ATOM 2526 N THR A 161 9.524 -0.655 12.209 1.00 1.24 N ATOM 2527 CA THR A 161 8.507 0.395 12.440 1.00 1.25 C ATOM 2528 C THR A 161 9.107 1.735 12.868 1.00 1.54 C ATOM 2529 O THR A 161 8.711 2.789 12.375 1.00 1.74 O ATOM 2530 CB THR A 161 7.549 -0.076 13.534 1.00 1.43 C ATOM 2531 OG1 THR A 161 6.919 -1.275 13.139 1.00 1.49 O ATOM 2532 CG2 THR A 161 6.463 0.950 13.853 1.00 1.69 C ATOM 0 H THR A 161 9.285 -1.524 12.686 1.00 1.24 H new ATOM 0 HA THR A 161 7.995 0.555 11.491 1.00 1.25 H new ATOM 0 HB THR A 161 8.153 -0.224 14.429 1.00 1.43 H new ATOM 0 HG1 THR A 161 6.976 -1.369 12.165 1.00 1.49 H new ATOM 0 HG21 THR A 161 5.813 0.560 14.637 1.00 1.69 H new ATOM 0 HG22 THR A 161 6.926 1.876 14.193 1.00 1.69 H new ATOM 0 HG23 THR A 161 5.874 1.147 12.957 1.00 1.69 H new ATOM 2540 N ASP A 162 10.080 1.695 13.770 1.00 1.66 N ATOM 2541 CA ASP A 162 10.804 2.869 14.259 1.00 1.87 C ATOM 2542 C ASP A 162 11.553 3.593 13.128 1.00 1.89 C ATOM 2543 O ASP A 162 11.407 4.804 12.970 1.00 2.05 O ATOM 2544 CB ASP A 162 11.728 2.430 15.408 1.00 1.99 C ATOM 2545 CG ASP A 162 12.720 1.335 15.005 1.00 2.70 C ATOM 2546 OD1 ASP A 162 12.271 0.224 14.642 1.00 3.87 O ATOM 2547 OD2 ASP A 162 13.936 1.618 15.003 1.00 3.74 O ATOM 0 H ASP A 162 10.398 0.824 14.195 1.00 1.66 H new ATOM 0 HA ASP A 162 10.097 3.604 14.644 1.00 1.87 H new ATOM 0 HB2 ASP A 162 12.282 3.296 15.771 1.00 1.99 H new ATOM 0 HB3 ASP A 162 11.119 2.071 16.238 1.00 1.99 H new ATOM 2552 N ARG A 163 12.249 2.863 12.245 1.00 1.74 N ATOM 2553 CA ARG A 163 12.784 3.432 11.013 1.00 1.77 C ATOM 2554 C ARG A 163 11.694 3.879 10.024 1.00 1.77 C ATOM 2555 O ARG A 163 11.906 4.889 9.361 1.00 1.89 O ATOM 2556 CB ARG A 163 13.747 2.437 10.366 1.00 1.78 C ATOM 2557 CG ARG A 163 15.164 2.483 10.938 1.00 1.88 C ATOM 2558 CD ARG A 163 15.295 2.250 12.440 1.00 2.79 C ATOM 2559 NE ARG A 163 16.720 2.107 12.800 1.00 2.86 N ATOM 2560 CZ ARG A 163 17.226 1.330 13.757 1.00 4.02 C ATOM 2561 NH1 ARG A 163 16.480 0.701 14.635 1.00 5.43 N ATOM 2562 NH2 ARG A 163 18.531 1.170 13.839 1.00 4.26 N ATOM 0 H ARG A 163 12.452 1.871 12.368 1.00 1.74 H new ATOM 0 HA ARG A 163 13.323 4.341 11.281 1.00 1.77 H new ATOM 0 HB2 ARG A 163 13.349 1.430 10.488 1.00 1.78 H new ATOM 0 HB3 ARG A 163 13.792 2.634 9.295 1.00 1.78 H new ATOM 0 HG2 ARG A 163 15.766 1.735 10.422 1.00 1.88 H new ATOM 0 HG3 ARG A 163 15.596 3.456 10.704 1.00 1.88 H new ATOM 0 HD2 ARG A 163 14.854 3.083 12.987 1.00 2.79 H new ATOM 0 HD3 ARG A 163 14.746 1.354 12.728 1.00 2.79 H new ATOM 0 HE ARG A 163 17.386 2.660 12.260 1.00 2.86 H new ATOM 0 HH11 ARG A 163 15.465 0.796 14.603 1.00 5.43 H new ATOM 0 HH12 ARG A 163 16.915 0.117 15.349 1.00 5.43 H new ATOM 0 HH21 ARG A 163 19.145 1.639 13.173 1.00 4.26 H new ATOM 0 HH22 ARG A 163 18.927 0.577 14.568 1.00 4.26 H new ATOM 2576 N VAL A 164 10.534 3.213 9.942 1.00 1.63 N ATOM 2577 CA VAL A 164 9.407 3.715 9.115 1.00 1.55 C ATOM 2578 C VAL A 164 8.971 5.129 9.557 1.00 1.59 C ATOM 2579 O VAL A 164 8.782 5.988 8.702 1.00 1.61 O ATOM 2580 CB VAL A 164 8.198 2.742 9.071 1.00 1.50 C ATOM 2581 CG1 VAL A 164 7.000 3.305 8.285 1.00 1.44 C ATOM 2582 CG2 VAL A 164 8.594 1.410 8.422 1.00 1.64 C ATOM 0 H VAL A 164 10.344 2.336 10.428 1.00 1.63 H new ATOM 0 HA VAL A 164 9.786 3.776 8.095 1.00 1.55 H new ATOM 0 HB VAL A 164 7.901 2.600 10.110 1.00 1.50 H new ATOM 0 HG11 VAL A 164 6.187 2.579 8.291 1.00 1.44 H new ATOM 0 HG12 VAL A 164 6.662 4.231 8.750 1.00 1.44 H new ATOM 0 HG13 VAL A 164 7.301 3.505 7.257 1.00 1.44 H new ATOM 0 HG21 VAL A 164 7.731 0.744 8.402 1.00 1.64 H new ATOM 0 HG22 VAL A 164 8.937 1.590 7.403 1.00 1.64 H new ATOM 0 HG23 VAL A 164 9.395 0.948 8.999 1.00 1.64 H new ATOM 2592 N VAL A 165 8.892 5.403 10.870 1.00 1.47 N ATOM 2593 CA VAL A 165 8.575 6.762 11.384 1.00 1.41 C ATOM 2594 C VAL A 165 9.571 7.830 10.892 1.00 1.50 C ATOM 2595 O VAL A 165 9.171 8.948 10.578 1.00 1.60 O ATOM 2596 CB VAL A 165 8.527 6.798 12.934 1.00 1.45 C ATOM 2597 CG1 VAL A 165 8.332 8.210 13.520 1.00 1.47 C ATOM 2598 CG2 VAL A 165 7.380 5.928 13.461 1.00 1.67 C ATOM 0 H VAL A 165 9.042 4.707 11.601 1.00 1.47 H new ATOM 0 HA VAL A 165 7.588 6.997 10.986 1.00 1.41 H new ATOM 0 HB VAL A 165 9.500 6.423 13.251 1.00 1.45 H new ATOM 0 HG11 VAL A 165 8.309 8.152 14.608 1.00 1.47 H new ATOM 0 HG12 VAL A 165 9.157 8.850 13.208 1.00 1.47 H new ATOM 0 HG13 VAL A 165 7.392 8.627 13.159 1.00 1.47 H new ATOM 0 HG21 VAL A 165 7.364 5.967 14.550 1.00 1.67 H new ATOM 0 HG22 VAL A 165 6.433 6.300 13.071 1.00 1.67 H new ATOM 0 HG23 VAL A 165 7.527 4.898 13.137 1.00 1.67 H new ATOM 2608 N ALA A 166 10.864 7.500 10.812 1.00 1.41 N ATOM 2609 CA ALA A 166 11.910 8.404 10.319 1.00 1.41 C ATOM 2610 C ALA A 166 11.801 8.673 8.807 1.00 1.49 C ATOM 2611 O ALA A 166 11.996 9.813 8.392 1.00 1.55 O ATOM 2612 CB ALA A 166 13.256 7.767 10.691 1.00 1.44 C ATOM 0 H ALA A 166 11.219 6.585 11.091 1.00 1.41 H new ATOM 0 HA ALA A 166 11.803 9.385 10.782 1.00 1.41 H new ATOM 0 HB1 ALA A 166 14.069 8.405 10.344 1.00 1.44 H new ATOM 0 HB2 ALA A 166 13.319 7.656 11.773 1.00 1.44 H new ATOM 0 HB3 ALA A 166 13.337 6.787 10.220 1.00 1.44 H new ATOM 2618 N ASP A 167 11.405 7.678 8.010 1.00 1.48 N ATOM 2619 CA ASP A 167 11.109 7.834 6.577 1.00 1.55 C ATOM 2620 C ASP A 167 9.908 8.778 6.372 1.00 1.79 C ATOM 2621 O ASP A 167 9.991 9.745 5.617 1.00 1.80 O ATOM 2622 CB ASP A 167 10.865 6.438 5.963 1.00 1.74 C ATOM 2623 CG ASP A 167 11.515 6.247 4.585 1.00 1.69 C ATOM 2624 OD1 ASP A 167 11.063 6.886 3.613 1.00 2.35 O ATOM 2625 OD2 ASP A 167 12.430 5.389 4.491 1.00 2.35 O ATOM 0 H ASP A 167 11.278 6.723 8.345 1.00 1.48 H new ATOM 0 HA ASP A 167 11.956 8.292 6.067 1.00 1.55 H new ATOM 0 HB2 ASP A 167 11.249 5.679 6.644 1.00 1.74 H new ATOM 0 HB3 ASP A 167 9.791 6.273 5.874 1.00 1.74 H new ATOM 2630 N LEU A 168 8.832 8.580 7.149 1.00 1.58 N ATOM 2631 CA LEU A 168 7.649 9.457 7.156 1.00 1.65 C ATOM 2632 C LEU A 168 7.960 10.897 7.568 1.00 1.77 C ATOM 2633 O LEU A 168 7.212 11.796 7.193 1.00 2.00 O ATOM 2634 CB LEU A 168 6.551 8.906 8.088 1.00 1.78 C ATOM 2635 CG LEU A 168 5.467 8.028 7.438 1.00 1.88 C ATOM 2636 CD1 LEU A 168 4.657 8.793 6.378 1.00 2.10 C ATOM 2637 CD2 LEU A 168 6.043 6.734 6.860 1.00 2.65 C ATOM 0 H LEU A 168 8.757 7.797 7.798 1.00 1.58 H new ATOM 0 HA LEU A 168 7.299 9.471 6.124 1.00 1.65 H new ATOM 0 HB2 LEU A 168 7.033 8.325 8.874 1.00 1.78 H new ATOM 0 HB3 LEU A 168 6.060 9.751 8.571 1.00 1.78 H new ATOM 0 HG LEU A 168 4.780 7.752 8.238 1.00 1.88 H new ATOM 0 HD11 LEU A 168 3.905 8.132 5.948 1.00 2.10 H new ATOM 0 HD12 LEU A 168 4.166 9.648 6.843 1.00 2.10 H new ATOM 0 HD13 LEU A 168 5.326 9.142 5.591 1.00 2.10 H new ATOM 0 HD21 LEU A 168 5.241 6.147 6.412 1.00 2.65 H new ATOM 0 HD22 LEU A 168 6.786 6.974 6.099 1.00 2.65 H new ATOM 0 HD23 LEU A 168 6.513 6.157 7.657 1.00 2.65 H new ATOM 2649 N GLN A 169 9.015 11.121 8.348 1.00 1.36 N ATOM 2650 CA GLN A 169 9.428 12.453 8.788 1.00 1.35 C ATOM 2651 C GLN A 169 10.038 13.289 7.655 1.00 1.48 C ATOM 2652 O GLN A 169 9.919 14.510 7.685 1.00 1.56 O ATOM 2653 CB GLN A 169 10.372 12.308 9.999 1.00 1.33 C ATOM 2654 CG GLN A 169 9.635 12.386 11.353 1.00 1.56 C ATOM 2655 CD GLN A 169 10.420 13.166 12.408 1.00 1.90 C ATOM 2656 OE1 GLN A 169 10.047 14.258 12.797 1.00 2.57 O ATOM 2657 NE2 GLN A 169 11.523 12.660 12.923 1.00 2.34 N ATOM 0 H GLN A 169 9.615 10.374 8.697 1.00 1.36 H new ATOM 0 HA GLN A 169 8.545 13.012 9.097 1.00 1.35 H new ATOM 0 HB2 GLN A 169 10.896 11.355 9.932 1.00 1.33 H new ATOM 0 HB3 GLN A 169 11.129 13.091 9.958 1.00 1.33 H new ATOM 0 HG2 GLN A 169 8.663 12.858 11.206 1.00 1.56 H new ATOM 0 HG3 GLN A 169 9.447 11.376 11.718 1.00 1.56 H new ATOM 0 HE21 GLN A 169 11.858 11.747 12.615 1.00 2.34 H new ATOM 0 HE22 GLN A 169 12.042 13.181 13.630 1.00 2.34 H new ATOM 2666 N ALA A 170 10.647 12.666 6.641 1.00 1.27 N ATOM 2667 CA ALA A 170 11.030 13.345 5.398 1.00 1.37 C ATOM 2668 C ALA A 170 9.861 13.654 4.441 1.00 1.68 C ATOM 2669 O ALA A 170 10.018 14.479 3.543 1.00 1.89 O ATOM 2670 CB ALA A 170 12.075 12.477 4.698 1.00 1.36 C ATOM 0 H ALA A 170 10.889 11.675 6.659 1.00 1.27 H new ATOM 0 HA ALA A 170 11.425 14.324 5.671 1.00 1.37 H new ATOM 0 HB1 ALA A 170 12.381 12.955 3.768 1.00 1.36 H new ATOM 0 HB2 ALA A 170 12.942 12.357 5.347 1.00 1.36 H new ATOM 0 HB3 ALA A 170 11.648 11.498 4.479 1.00 1.36 H new ATOM 2676 N LEU A 171 8.732 12.947 4.569 1.00 1.61 N ATOM 2677 CA LEU A 171 7.658 12.923 3.562 1.00 1.76 C ATOM 2678 C LEU A 171 6.505 13.901 3.863 1.00 1.92 C ATOM 2679 O LEU A 171 5.609 14.049 3.027 1.00 2.12 O ATOM 2680 CB LEU A 171 7.161 11.470 3.419 1.00 1.97 C ATOM 2681 CG LEU A 171 8.217 10.475 2.885 1.00 1.89 C ATOM 2682 CD1 LEU A 171 7.744 9.036 3.139 1.00 2.36 C ATOM 2683 CD2 LEU A 171 8.471 10.682 1.385 1.00 2.08 C ATOM 0 H LEU A 171 8.534 12.367 5.384 1.00 1.61 H new ATOM 0 HA LEU A 171 8.068 13.274 2.615 1.00 1.76 H new ATOM 0 HB2 LEU A 171 6.813 11.122 4.392 1.00 1.97 H new ATOM 0 HB3 LEU A 171 6.300 11.459 2.750 1.00 1.97 H new ATOM 0 HG LEU A 171 9.153 10.655 3.414 1.00 1.89 H new ATOM 0 HD11 LEU A 171 8.490 8.336 2.762 1.00 2.36 H new ATOM 0 HD12 LEU A 171 7.609 8.881 4.209 1.00 2.36 H new ATOM 0 HD13 LEU A 171 6.797 8.868 2.626 1.00 2.36 H new ATOM 0 HD21 LEU A 171 9.218 9.967 1.040 1.00 2.08 H new ATOM 0 HD22 LEU A 171 7.543 10.530 0.834 1.00 2.08 H new ATOM 0 HD23 LEU A 171 8.833 11.696 1.214 1.00 2.08 H new ATOM 2695 N LEU A 172 6.533 14.547 5.033 1.00 1.55 N ATOM 2696 CA LEU A 172 5.535 15.515 5.526 1.00 1.53 C ATOM 2697 C LEU A 172 5.291 16.726 4.603 1.00 1.70 C ATOM 2698 O LEU A 172 4.181 17.296 4.704 1.00 2.17 O ATOM 2699 CB LEU A 172 5.947 15.963 6.948 1.00 1.68 C ATOM 2700 CG LEU A 172 6.133 14.853 7.995 1.00 1.82 C ATOM 2701 CD1 LEU A 172 6.317 15.486 9.374 1.00 2.44 C ATOM 2702 CD2 LEU A 172 4.943 13.894 8.063 1.00 2.20 C ATOM 2703 OXT LEU A 172 6.149 17.061 3.764 1.00 2.28 O ATOM 0 H LEU A 172 7.291 14.405 5.701 1.00 1.55 H new ATOM 0 HA LEU A 172 4.573 15.002 5.542 1.00 1.53 H new ATOM 0 HB2 LEU A 172 6.881 16.519 6.872 1.00 1.68 H new ATOM 0 HB3 LEU A 172 5.192 16.657 7.318 1.00 1.68 H new ATOM 0 HG LEU A 172 7.010 14.279 7.696 1.00 1.82 H new ATOM 0 HD11 LEU A 172 6.449 14.702 10.120 1.00 2.44 H new ATOM 0 HD12 LEU A 172 7.197 16.130 9.364 1.00 2.44 H new ATOM 0 HD13 LEU A 172 5.437 16.078 9.623 1.00 2.44 H new ATOM 0 HD21 LEU A 172 5.132 13.132 8.819 1.00 2.20 H new ATOM 0 HD22 LEU A 172 4.042 14.450 8.325 1.00 2.20 H new ATOM 0 HD23 LEU A 172 4.805 13.416 7.093 1.00 2.20 H new