USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1017 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 102 THR OG1 : rot -68:sc= 0.529 USER MOD Set 1.2: A 111 ASN :FLIP amide:sc= 0.266 F(o=0.00025,f=0.79) USER MOD Set 2.1: A 100 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 81 THR OG1 : rot 167:sc= 1.08 USER MOD Set 3.2: A 93 THR OG1 : rot -170:sc= -0.069 USER MOD Set 4.1: A 73 THR OG1 : rot 140:sc= 0 USER MOD Set 4.2: A 75 THR OG1 : rot 180:sc= 0 USER MOD Set 4.3: A 96 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0823) USER MOD Set 5.1: A 47 HIS : no HE2:sc= 0.586 K(o=1.1,f=-4.2!) USER MOD Set 5.2: A 64 THR OG1 : rot 180:sc= 0.539 USER MOD Set 6.1: A 49 LYS NZ :NH3+ -111:sc= 0.132 (180deg=0) USER MOD Set 6.2: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 6.3: A 60 GLN : amide:sc= 0.123 X(o=0.26,f=0.15) USER MOD Set 7.1: A 30 GLN : amide:sc= 1.71 K(o=2.7,f=-3.4!) USER MOD Set 7.2: A 33 LYS NZ :NH3+ -160:sc= 1.04 (180deg=0) USER MOD Set 8.1: A 19 MET CE :methyl 180:sc= -0.319 (180deg=-0.319) USER MOD Set 8.2: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 32:sc= 0.0024 USER MOD Single : A 4 SER OG : rot 35:sc= 0.273 USER MOD Single : A 6 LYS NZ :NH3+ -116:sc= -0.101 (180deg=-1.12) USER MOD Single : A 7 TYR OH : rot -176:sc= 1 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= 0.471 X(o=0.47,f=-0.02) USER MOD Single : A 11 SER OG : rot 39:sc= 0.388 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 14 ASN : amide:sc= 0.676 K(o=0.68,f=-0.34) USER MOD Single : A 20 LYS NZ :NH3+ -174:sc=-0.00141 (180deg=-0.0512) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0.216 K(o=0.22,f=-3.1!) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -172:sc= 0.437 (180deg=0.403) USER MOD Single : A 61 ASN : amide:sc= 0.827 K(o=0.83,f=0) USER MOD Single : A 69 CYS SG : rot -130:sc= -0.121 USER MOD Single : A 78 LYS NZ :NH3+ -161:sc= 0.768 (180deg=0.559) USER MOD Single : A 80 LYS NZ :NH3+ -135:sc= 0.503 (180deg=-0.00132) USER MOD Single : A 84 GLN : amide:sc= -0.0307 K(o=-0.031,f=-1) USER MOD Single : A 89 ASN : amide:sc= 0.106 X(o=0.11,f=-0.083) USER MOD Single : A 90 LYS NZ :NH3+ 161:sc= 0.041 (180deg=0.00577) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 99 LYS NZ :NH3+ -163:sc= -0.0304 (180deg=-0.28) USER MOD Single : A 105 ASN : amide:sc= 0.115 X(o=0.12,f=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 167:sc=-0.00798 (180deg=-0.152) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 146 N SER A 2 2.941 -16.125 -0.746 1.00 23.44 N ATOM 147 CA SER A 2 2.299 -15.329 0.290 1.00 34.33 C ATOM 148 C SER A 2 2.862 -13.902 0.282 1.00 60.43 C ATOM 149 O SER A 2 4.059 -13.717 0.054 1.00 70.02 O ATOM 150 CB SER A 2 2.531 -16.002 1.655 1.00 73.21 C ATOM 151 OG SER A 2 1.758 -17.179 1.756 1.00 2.05 O ATOM 0 HA SER A 2 1.227 -15.269 0.100 1.00 34.33 H new ATOM 0 HB2 SER A 2 3.588 -16.241 1.776 1.00 73.21 H new ATOM 0 HB3 SER A 2 2.266 -15.314 2.458 1.00 73.21 H new ATOM 0 HG SER A 2 1.659 -17.583 0.868 1.00 2.05 H new ATOM 157 N PHE A 3 1.988 -12.925 0.570 1.00 23.45 N ATOM 158 CA PHE A 3 2.340 -11.510 0.733 1.00 2.14 C ATOM 159 C PHE A 3 3.281 -11.239 1.927 1.00 52.53 C ATOM 160 O PHE A 3 3.936 -10.199 1.930 1.00 51.21 O ATOM 161 CB PHE A 3 1.060 -10.669 0.904 1.00 34.04 C ATOM 162 CG PHE A 3 0.143 -10.511 -0.299 1.00 74.30 C ATOM 163 CD1 PHE A 3 0.170 -9.324 -1.064 1.00 13.25 C ATOM 164 CD2 PHE A 3 -0.719 -11.558 -0.693 1.00 40.41 C ATOM 165 CE1 PHE A 3 -0.714 -9.163 -2.125 1.00 52.23 C ATOM 166 CE2 PHE A 3 -1.592 -11.378 -1.756 1.00 22.04 C ATOM 167 CZ PHE A 3 -1.606 -10.175 -2.449 1.00 64.41 C ATOM 0 H PHE A 3 0.992 -13.104 0.699 1.00 23.45 H new ATOM 0 HA PHE A 3 2.879 -11.226 -0.171 1.00 2.14 H new ATOM 0 HB2 PHE A 3 0.477 -11.109 1.713 1.00 34.04 H new ATOM 0 HB3 PHE A 3 1.357 -9.672 1.231 1.00 34.04 H new ATOM 0 HD1 PHE A 3 0.876 -8.543 -0.825 1.00 13.25 H new ATOM 0 HD2 PHE A 3 -0.699 -12.500 -0.166 1.00 40.41 H new ATOM 0 HE1 PHE A 3 -0.706 -8.248 -2.698 1.00 52.23 H new ATOM 0 HE2 PHE A 3 -2.262 -12.175 -2.045 1.00 22.04 H new ATOM 0 HZ PHE A 3 -2.318 -10.026 -3.247 1.00 64.41 H new ATOM 177 N SER A 4 3.320 -12.170 2.900 1.00 22.24 N ATOM 178 CA SER A 4 4.134 -12.157 4.115 1.00 22.20 C ATOM 179 C SER A 4 5.632 -11.870 3.863 1.00 22.44 C ATOM 180 O SER A 4 6.327 -12.710 3.290 1.00 34.43 O ATOM 181 CB SER A 4 3.882 -13.470 4.888 1.00 73.43 C ATOM 182 OG SER A 4 4.326 -14.612 4.181 1.00 61.14 O ATOM 0 H SER A 4 2.740 -13.007 2.847 1.00 22.24 H new ATOM 0 HA SER A 4 3.822 -11.314 4.732 1.00 22.20 H new ATOM 0 HB2 SER A 4 4.390 -13.423 5.851 1.00 73.43 H new ATOM 0 HB3 SER A 4 2.816 -13.567 5.094 1.00 73.43 H new ATOM 0 HG SER A 4 5.138 -14.391 3.679 1.00 61.14 H new ATOM 188 N GLY A 5 6.089 -10.682 4.290 1.00 55.21 N ATOM 189 CA GLY A 5 7.466 -10.238 4.103 1.00 62.30 C ATOM 190 C GLY A 5 7.559 -8.713 4.238 1.00 12.11 C ATOM 191 O GLY A 5 6.550 -8.010 4.282 1.00 5.45 O ATOM 0 H GLY A 5 5.504 -10.003 4.777 1.00 55.21 H new ATOM 0 HA2 GLY A 5 8.112 -10.715 4.840 1.00 62.30 H new ATOM 0 HA3 GLY A 5 7.824 -10.545 3.120 1.00 62.30 H new ATOM 195 N LYS A 6 8.807 -8.218 4.283 1.00 62.03 N ATOM 196 CA LYS A 6 9.153 -6.800 4.375 1.00 45.11 C ATOM 197 C LYS A 6 9.752 -6.333 3.040 1.00 1.54 C ATOM 198 O LYS A 6 10.491 -7.089 2.410 1.00 41.23 O ATOM 199 CB LYS A 6 10.133 -6.610 5.550 1.00 53.32 C ATOM 200 CG LYS A 6 10.360 -5.139 5.951 1.00 72.05 C ATOM 201 CD LYS A 6 11.394 -4.952 7.077 1.00 60.24 C ATOM 202 CE LYS A 6 11.051 -5.633 8.414 1.00 31.03 C ATOM 203 NZ LYS A 6 9.800 -5.117 8.995 1.00 25.41 N1+ ATOM 0 H LYS A 6 9.629 -8.821 4.255 1.00 62.03 H new ATOM 0 HA LYS A 6 8.269 -6.192 4.566 1.00 45.11 H new ATOM 0 HB2 LYS A 6 9.757 -7.157 6.415 1.00 53.32 H new ATOM 0 HB3 LYS A 6 11.092 -7.055 5.284 1.00 53.32 H new ATOM 0 HG2 LYS A 6 10.687 -4.580 5.074 1.00 72.05 H new ATOM 0 HG3 LYS A 6 9.410 -4.708 6.268 1.00 72.05 H new ATOM 0 HD2 LYS A 6 12.355 -5.334 6.731 1.00 60.24 H new ATOM 0 HD3 LYS A 6 11.521 -3.884 7.256 1.00 60.24 H new ATOM 0 HE2 LYS A 6 10.962 -6.708 8.260 1.00 31.03 H new ATOM 0 HE3 LYS A 6 11.868 -5.479 9.119 1.00 31.03 H new ATOM 0 HZ1 LYS A 6 10.006 -4.644 9.898 1.00 25.41 H new ATOM 0 HZ2 LYS A 6 9.367 -4.437 8.338 1.00 25.41 H new ATOM 0 HZ3 LYS A 6 9.143 -5.906 9.160 1.00 25.41 H new ATOM 217 N TYR A 7 9.409 -5.098 2.642 1.00 52.01 N ATOM 218 CA TYR A 7 9.730 -4.492 1.349 1.00 55.21 C ATOM 219 C TYR A 7 10.202 -3.038 1.551 1.00 73.55 C ATOM 220 O TYR A 7 9.954 -2.457 2.606 1.00 72.24 O ATOM 221 CB TYR A 7 8.477 -4.543 0.437 1.00 63.20 C ATOM 222 CG TYR A 7 7.790 -5.899 0.334 1.00 53.41 C ATOM 223 CD1 TYR A 7 8.214 -6.832 -0.633 1.00 60.51 C ATOM 224 CD2 TYR A 7 6.750 -6.243 1.223 1.00 23.35 C ATOM 225 CE1 TYR A 7 7.647 -8.119 -0.678 1.00 40.33 C ATOM 226 CE2 TYR A 7 6.166 -7.525 1.166 1.00 34.11 C ATOM 227 CZ TYR A 7 6.627 -8.468 0.226 1.00 61.45 C ATOM 228 OH TYR A 7 6.084 -9.718 0.177 1.00 53.42 O ATOM 0 H TYR A 7 8.876 -4.470 3.243 1.00 52.01 H new ATOM 0 HA TYR A 7 10.537 -5.047 0.872 1.00 55.21 H new ATOM 0 HB2 TYR A 7 7.753 -3.816 0.805 1.00 63.20 H new ATOM 0 HB3 TYR A 7 8.766 -4.226 -0.565 1.00 63.20 H new ATOM 0 HD1 TYR A 7 8.979 -6.558 -1.344 1.00 60.51 H new ATOM 0 HD2 TYR A 7 6.401 -5.523 1.948 1.00 23.35 H new ATOM 0 HE1 TYR A 7 7.994 -8.838 -1.405 1.00 40.33 H new ATOM 0 HE2 TYR A 7 5.365 -7.784 1.843 1.00 34.11 H new ATOM 0 HH TYR A 7 5.350 -9.781 0.823 1.00 53.42 H new ATOM 238 N GLN A 8 10.865 -2.463 0.538 1.00 1.02 N ATOM 239 CA GLN A 8 11.278 -1.057 0.532 1.00 62.04 C ATOM 240 C GLN A 8 11.017 -0.443 -0.845 1.00 10.20 C ATOM 241 O GLN A 8 11.225 -1.111 -1.859 1.00 44.43 O ATOM 242 CB GLN A 8 12.757 -0.935 0.967 1.00 2.50 C ATOM 243 CG GLN A 8 13.287 0.514 1.036 1.00 63.23 C ATOM 244 CD GLN A 8 14.747 0.574 1.474 1.00 52.24 C ATOM 245 OE1 GLN A 8 15.050 0.454 2.659 1.00 55.13 O ATOM 246 NE2 GLN A 8 15.659 0.772 0.520 1.00 2.00 N ATOM 0 H GLN A 8 11.131 -2.968 -0.307 1.00 1.02 H new ATOM 0 HA GLN A 8 10.686 -0.494 1.254 1.00 62.04 H new ATOM 0 HB2 GLN A 8 12.874 -1.398 1.947 1.00 2.50 H new ATOM 0 HB3 GLN A 8 13.375 -1.502 0.271 1.00 2.50 H new ATOM 0 HG2 GLN A 8 13.183 0.984 0.058 1.00 63.23 H new ATOM 0 HG3 GLN A 8 12.677 1.089 1.732 1.00 63.23 H new ATOM 0 HE21 GLN A 8 15.367 0.867 -0.453 1.00 2.00 H new ATOM 0 HE22 GLN A 8 16.648 0.829 0.764 1.00 2.00 H new ATOM 255 N LEU A 9 10.598 0.835 -0.829 1.00 0.12 N ATOM 256 CA LEU A 9 10.321 1.719 -1.958 1.00 63.33 C ATOM 257 C LEU A 9 11.483 1.763 -2.961 1.00 42.21 C ATOM 258 O LEU A 9 12.581 2.198 -2.606 1.00 34.12 O ATOM 259 CB LEU A 9 10.009 3.132 -1.407 1.00 4.51 C ATOM 260 CG LEU A 9 9.518 4.166 -2.446 1.00 14.33 C ATOM 261 CD1 LEU A 9 8.090 3.857 -2.931 1.00 40.25 C ATOM 262 CD2 LEU A 9 9.633 5.602 -1.903 1.00 73.22 C ATOM 0 H LEU A 9 10.432 1.311 0.058 1.00 0.12 H new ATOM 0 HA LEU A 9 9.462 1.332 -2.506 1.00 63.33 H new ATOM 0 HB2 LEU A 9 9.251 3.039 -0.629 1.00 4.51 H new ATOM 0 HB3 LEU A 9 10.908 3.522 -0.931 1.00 4.51 H new ATOM 0 HG LEU A 9 10.173 4.089 -3.314 1.00 14.33 H new ATOM 0 HD11 LEU A 9 7.783 4.607 -3.660 1.00 40.25 H new ATOM 0 HD12 LEU A 9 8.069 2.871 -3.394 1.00 40.25 H new ATOM 0 HD13 LEU A 9 7.406 3.874 -2.083 1.00 40.25 H new ATOM 0 HD21 LEU A 9 9.280 6.305 -2.657 1.00 73.22 H new ATOM 0 HD22 LEU A 9 9.026 5.700 -1.003 1.00 73.22 H new ATOM 0 HD23 LEU A 9 10.674 5.818 -1.664 1.00 73.22 H new ATOM 274 N GLN A 10 11.191 1.326 -4.190 1.00 32.14 N ATOM 275 CA GLN A 10 12.099 1.377 -5.329 1.00 23.51 C ATOM 276 C GLN A 10 11.847 2.640 -6.161 1.00 33.04 C ATOM 277 O GLN A 10 12.810 3.281 -6.575 1.00 11.12 O ATOM 278 CB GLN A 10 11.894 0.121 -6.208 1.00 41.22 C ATOM 279 CG GLN A 10 12.149 -1.221 -5.497 1.00 70.53 C ATOM 280 CD GLN A 10 13.561 -1.339 -4.922 1.00 21.25 C ATOM 281 OE1 GLN A 10 14.539 -1.334 -5.665 1.00 54.04 O ATOM 282 NE2 GLN A 10 13.673 -1.463 -3.597 1.00 41.31 N ATOM 0 H GLN A 10 10.287 0.915 -4.422 1.00 32.14 H new ATOM 0 HA GLN A 10 13.125 1.403 -4.962 1.00 23.51 H new ATOM 0 HB2 GLN A 10 10.872 0.125 -6.588 1.00 41.22 H new ATOM 0 HB3 GLN A 10 12.556 0.189 -7.072 1.00 41.22 H new ATOM 0 HG2 GLN A 10 11.424 -1.342 -4.692 1.00 70.53 H new ATOM 0 HG3 GLN A 10 11.981 -2.036 -6.201 1.00 70.53 H new ATOM 0 HE21 GLN A 10 12.837 -1.463 -3.012 1.00 41.31 H new ATOM 0 HE22 GLN A 10 14.594 -1.558 -3.170 1.00 41.31 H new ATOM 291 N SER A 11 10.564 2.952 -6.405 1.00 22.42 N ATOM 292 CA SER A 11 10.124 3.991 -7.333 1.00 54.22 C ATOM 293 C SER A 11 8.650 4.344 -7.093 1.00 43.15 C ATOM 294 O SER A 11 7.909 3.540 -6.526 1.00 65.41 O ATOM 295 CB SER A 11 10.345 3.507 -8.787 1.00 55.50 C ATOM 296 OG SER A 11 11.635 3.854 -9.242 1.00 21.52 O ATOM 0 H SER A 11 9.789 2.473 -5.947 1.00 22.42 H new ATOM 0 HA SER A 11 10.711 4.894 -7.165 1.00 54.22 H new ATOM 0 HB2 SER A 11 10.215 2.426 -8.838 1.00 55.50 H new ATOM 0 HB3 SER A 11 9.593 3.950 -9.440 1.00 55.50 H new ATOM 0 HG SER A 11 12.281 3.737 -8.514 1.00 21.52 H new ATOM 302 N GLN A 12 8.246 5.532 -7.569 1.00 52.11 N ATOM 303 CA GLN A 12 6.868 6.018 -7.515 1.00 10.15 C ATOM 304 C GLN A 12 6.636 7.129 -8.552 1.00 32.44 C ATOM 305 O GLN A 12 7.554 7.898 -8.843 1.00 14.54 O ATOM 306 CB GLN A 12 6.480 6.431 -6.072 1.00 74.31 C ATOM 307 CG GLN A 12 7.401 7.487 -5.419 1.00 73.50 C ATOM 308 CD GLN A 12 7.074 7.748 -3.945 1.00 72.40 C ATOM 309 OE1 GLN A 12 6.130 7.190 -3.388 1.00 42.42 O ATOM 310 NE2 GLN A 12 7.863 8.613 -3.302 1.00 0.03 N ATOM 0 H GLN A 12 8.886 6.192 -8.011 1.00 52.11 H new ATOM 0 HA GLN A 12 6.197 5.203 -7.787 1.00 10.15 H new ATOM 0 HB2 GLN A 12 5.461 6.818 -6.084 1.00 74.31 H new ATOM 0 HB3 GLN A 12 6.475 5.539 -5.445 1.00 74.31 H new ATOM 0 HG2 GLN A 12 8.436 7.157 -5.501 1.00 73.50 H new ATOM 0 HG3 GLN A 12 7.320 8.422 -5.973 1.00 73.50 H new ATOM 0 HE21 GLN A 12 8.638 9.059 -3.793 1.00 0.03 H new ATOM 0 HE22 GLN A 12 7.691 8.828 -2.320 1.00 0.03 H new ATOM 319 N GLU A 13 5.401 7.180 -9.078 1.00 45.34 N ATOM 320 CA GLU A 13 4.926 8.141 -10.076 1.00 24.53 C ATOM 321 C GLU A 13 3.788 8.959 -9.456 1.00 22.40 C ATOM 322 O GLU A 13 2.945 8.380 -8.772 1.00 5.02 O ATOM 323 CB GLU A 13 4.386 7.349 -11.292 1.00 33.31 C ATOM 324 CG GLU A 13 4.019 8.170 -12.541 1.00 43.25 C ATOM 325 CD GLU A 13 5.247 8.768 -13.219 1.00 23.35 C ATOM 326 OE1 GLU A 13 5.930 7.998 -13.927 1.00 25.34 O ATOM 327 OE2 GLU A 13 5.484 9.975 -13.002 1.00 32.21 O1- ATOM 0 H GLU A 13 4.675 6.518 -8.803 1.00 45.34 H new ATOM 0 HA GLU A 13 5.730 8.806 -10.391 1.00 24.53 H new ATOM 0 HB2 GLU A 13 5.135 6.611 -11.578 1.00 33.31 H new ATOM 0 HB3 GLU A 13 3.501 6.798 -10.974 1.00 33.31 H new ATOM 0 HG2 GLU A 13 3.489 7.533 -13.249 1.00 43.25 H new ATOM 0 HG3 GLU A 13 3.336 8.971 -12.259 1.00 43.25 H new ATOM 334 N ASN A 14 3.762 10.274 -9.743 1.00 13.20 N ATOM 335 CA ASN A 14 2.735 11.242 -9.309 1.00 14.42 C ATOM 336 C ASN A 14 2.583 11.314 -7.774 1.00 73.35 C ATOM 337 O ASN A 14 1.463 11.455 -7.277 1.00 12.12 O ATOM 338 CB ASN A 14 1.379 10.971 -10.022 1.00 70.55 C ATOM 339 CG ASN A 14 1.422 11.151 -11.542 1.00 40.33 C ATOM 340 OD1 ASN A 14 2.083 12.051 -12.050 1.00 23.25 O ATOM 341 ND2 ASN A 14 0.689 10.309 -12.273 1.00 12.33 N ATOM 0 H ASN A 14 4.489 10.711 -10.309 1.00 13.20 H new ATOM 0 HA ASN A 14 3.081 12.230 -9.614 1.00 14.42 H new ATOM 0 HB2 ASN A 14 1.060 9.953 -9.797 1.00 70.55 H new ATOM 0 HB3 ASN A 14 0.624 11.640 -9.609 1.00 70.55 H new ATOM 0 HD21 ASN A 14 0.666 10.402 -13.288 1.00 12.33 H new ATOM 0 HD22 ASN A 14 0.152 9.572 -11.816 1.00 12.33 H new ATOM 348 N PHE A 15 3.714 11.218 -7.048 1.00 42.24 N ATOM 349 CA PHE A 15 3.761 11.296 -5.589 1.00 12.22 C ATOM 350 C PHE A 15 3.234 12.624 -5.035 1.00 44.34 C ATOM 351 O PHE A 15 2.360 12.597 -4.176 1.00 11.34 O ATOM 352 CB PHE A 15 5.171 10.946 -5.054 1.00 35.14 C ATOM 353 CG PHE A 15 5.368 11.174 -3.560 1.00 0.45 C ATOM 354 CD1 PHE A 15 4.930 10.207 -2.631 1.00 63.43 C ATOM 355 CD2 PHE A 15 5.788 12.432 -3.080 1.00 61.51 C ATOM 356 CE1 PHE A 15 5.003 10.463 -1.269 1.00 31.02 C ATOM 357 CE2 PHE A 15 5.808 12.684 -1.716 1.00 10.43 C ATOM 358 CZ PHE A 15 5.443 11.698 -0.813 1.00 3.43 C ATOM 0 H PHE A 15 4.631 11.082 -7.473 1.00 42.24 H new ATOM 0 HA PHE A 15 3.072 10.539 -5.214 1.00 12.22 H new ATOM 0 HB2 PHE A 15 5.378 9.899 -5.277 1.00 35.14 H new ATOM 0 HB3 PHE A 15 5.907 11.539 -5.597 1.00 35.14 H new ATOM 0 HD1 PHE A 15 4.536 9.264 -2.981 1.00 63.43 H new ATOM 0 HD2 PHE A 15 6.094 13.200 -3.775 1.00 61.51 H new ATOM 0 HE1 PHE A 15 4.717 9.699 -0.562 1.00 31.02 H new ATOM 0 HE2 PHE A 15 6.110 13.656 -1.355 1.00 10.43 H new ATOM 0 HZ PHE A 15 5.501 11.891 0.248 1.00 3.43 H new ATOM 368 N GLU A 16 3.770 13.745 -5.545 1.00 1.55 N ATOM 369 CA GLU A 16 3.425 15.091 -5.090 1.00 11.22 C ATOM 370 C GLU A 16 1.972 15.483 -5.405 1.00 51.52 C ATOM 371 O GLU A 16 1.382 16.214 -4.614 1.00 62.13 O ATOM 372 CB GLU A 16 4.419 16.119 -5.662 1.00 73.44 C ATOM 373 CG GLU A 16 5.886 15.826 -5.291 1.00 44.03 C ATOM 374 CD GLU A 16 6.827 16.933 -5.758 1.00 73.15 C ATOM 375 OE1 GLU A 16 7.609 16.664 -6.694 1.00 1.33 O ATOM 376 OE2 GLU A 16 6.758 18.030 -5.161 1.00 53.41 O1- ATOM 0 H GLU A 16 4.463 13.736 -6.294 1.00 1.55 H new ATOM 0 HA GLU A 16 3.503 15.089 -4.003 1.00 11.22 H new ATOM 0 HB2 GLU A 16 4.324 16.140 -6.748 1.00 73.44 H new ATOM 0 HB3 GLU A 16 4.152 17.112 -5.300 1.00 73.44 H new ATOM 0 HG2 GLU A 16 5.970 15.711 -4.210 1.00 44.03 H new ATOM 0 HG3 GLU A 16 6.190 14.879 -5.737 1.00 44.03 H new ATOM 383 N ALA A 17 1.414 14.955 -6.510 1.00 1.05 N ATOM 384 CA ALA A 17 0.006 15.099 -6.876 1.00 12.24 C ATOM 385 C ALA A 17 -0.933 14.361 -5.911 1.00 4.04 C ATOM 386 O ALA A 17 -1.957 14.926 -5.530 1.00 65.25 O ATOM 387 CB ALA A 17 -0.203 14.608 -8.317 1.00 32.13 C ATOM 0 H ALA A 17 1.947 14.405 -7.184 1.00 1.05 H new ATOM 0 HA ALA A 17 -0.248 16.157 -6.807 1.00 12.24 H new ATOM 0 HB1 ALA A 17 -1.253 14.716 -8.589 1.00 32.13 H new ATOM 0 HB2 ALA A 17 0.411 15.200 -8.996 1.00 32.13 H new ATOM 0 HB3 ALA A 17 0.085 13.559 -8.389 1.00 32.13 H new ATOM 393 N PHE A 18 -0.559 13.130 -5.523 1.00 52.01 N ATOM 394 CA PHE A 18 -1.325 12.276 -4.618 1.00 64.21 C ATOM 395 C PHE A 18 -1.226 12.700 -3.149 1.00 44.51 C ATOM 396 O PHE A 18 -2.252 12.730 -2.476 1.00 52.34 O ATOM 397 CB PHE A 18 -0.922 10.809 -4.836 1.00 12.02 C ATOM 398 CG PHE A 18 -1.679 9.796 -3.991 1.00 33.13 C ATOM 399 CD1 PHE A 18 -1.137 9.329 -2.774 1.00 2.05 C ATOM 400 CD2 PHE A 18 -2.996 9.430 -4.339 1.00 22.11 C ATOM 401 CE1 PHE A 18 -1.872 8.462 -1.976 1.00 10.12 C ATOM 402 CE2 PHE A 18 -3.714 8.564 -3.526 1.00 65.33 C ATOM 403 CZ PHE A 18 -3.151 8.076 -2.353 1.00 10.15 C ATOM 0 H PHE A 18 0.307 12.696 -5.842 1.00 52.01 H new ATOM 0 HA PHE A 18 -2.381 12.392 -4.863 1.00 64.21 H new ATOM 0 HB2 PHE A 18 -1.067 10.562 -5.888 1.00 12.02 H new ATOM 0 HB3 PHE A 18 0.143 10.707 -4.629 1.00 12.02 H new ATOM 0 HD1 PHE A 18 -0.152 9.646 -2.464 1.00 2.05 H new ATOM 0 HD2 PHE A 18 -3.446 9.824 -5.238 1.00 22.11 H new ATOM 0 HE1 PHE A 18 -1.446 8.086 -1.057 1.00 10.12 H new ATOM 0 HE2 PHE A 18 -4.714 8.268 -3.806 1.00 65.33 H new ATOM 0 HZ PHE A 18 -3.711 7.393 -1.732 1.00 10.15 H new ATOM 413 N MET A 19 -0.009 13.040 -2.692 1.00 62.31 N ATOM 414 CA MET A 19 0.266 13.505 -1.334 1.00 51.31 C ATOM 415 C MET A 19 -0.359 14.888 -1.040 1.00 14.44 C ATOM 416 O MET A 19 -0.709 15.158 0.107 1.00 65.41 O ATOM 417 CB MET A 19 1.785 13.457 -1.058 1.00 62.30 C ATOM 418 CG MET A 19 2.119 13.157 0.417 1.00 22.14 C ATOM 419 SD MET A 19 2.415 11.424 0.905 1.00 35.13 S ATOM 420 CE MET A 19 1.399 10.441 -0.231 1.00 52.42 C ATOM 0 H MET A 19 0.827 12.996 -3.275 1.00 62.31 H new ATOM 0 HA MET A 19 -0.221 12.825 -0.635 1.00 51.31 H new ATOM 0 HB2 MET A 19 2.240 12.695 -1.690 1.00 62.30 H new ATOM 0 HB3 MET A 19 2.230 14.411 -1.339 1.00 62.30 H new ATOM 0 HG2 MET A 19 3.007 13.732 0.680 1.00 22.14 H new ATOM 0 HG3 MET A 19 1.300 13.538 1.027 1.00 22.14 H new ATOM 0 HE1 MET A 19 1.520 9.382 -0.004 1.00 52.42 H new ATOM 0 HE2 MET A 19 0.351 10.719 -0.116 1.00 52.42 H new ATOM 0 HE3 MET A 19 1.714 10.630 -1.257 1.00 52.42 H new ATOM 430 N LYS A 20 -0.549 15.705 -2.091 1.00 1.35 N ATOM 431 CA LYS A 20 -1.329 16.941 -2.066 1.00 40.15 C ATOM 432 C LYS A 20 -2.846 16.669 -2.038 1.00 62.15 C ATOM 433 O LYS A 20 -3.549 17.328 -1.272 1.00 53.14 O ATOM 434 CB LYS A 20 -0.893 17.810 -3.267 1.00 35.11 C ATOM 435 CG LYS A 20 -1.666 19.125 -3.499 1.00 52.34 C ATOM 436 CD LYS A 20 -2.587 19.104 -4.737 1.00 1.33 C ATOM 437 CE LYS A 20 -1.857 19.025 -6.092 1.00 34.32 C ATOM 438 NZ LYS A 20 -0.955 20.170 -6.308 1.00 60.21 N1+ ATOM 0 H LYS A 20 -0.148 15.511 -3.008 1.00 1.35 H new ATOM 0 HA LYS A 20 -1.129 17.487 -1.144 1.00 40.15 H new ATOM 0 HB2 LYS A 20 0.162 18.055 -3.142 1.00 35.11 H new ATOM 0 HB3 LYS A 20 -0.975 17.205 -4.170 1.00 35.11 H new ATOM 0 HG2 LYS A 20 -2.267 19.341 -2.616 1.00 52.34 H new ATOM 0 HG3 LYS A 20 -0.951 19.941 -3.605 1.00 52.34 H new ATOM 0 HD2 LYS A 20 -3.261 18.252 -4.655 1.00 1.33 H new ATOM 0 HD3 LYS A 20 -3.205 20.002 -4.726 1.00 1.33 H new ATOM 0 HE2 LYS A 20 -1.284 18.099 -6.140 1.00 34.32 H new ATOM 0 HE3 LYS A 20 -2.592 18.987 -6.896 1.00 34.32 H new ATOM 0 HZ1 LYS A 20 -0.564 20.127 -7.271 1.00 60.21 H new ATOM 0 HZ2 LYS A 20 -1.485 21.057 -6.188 1.00 60.21 H new ATOM 0 HZ3 LYS A 20 -0.178 20.135 -5.617 1.00 60.21 H new ATOM 452 N ALA A 21 -3.317 15.709 -2.856 1.00 12.13 N ATOM 453 CA ALA A 21 -4.733 15.348 -3.002 1.00 12.14 C ATOM 454 C ALA A 21 -5.372 14.741 -1.741 1.00 25.12 C ATOM 455 O ALA A 21 -6.544 15.017 -1.488 1.00 2.15 O ATOM 456 CB ALA A 21 -4.912 14.406 -4.203 1.00 42.34 C ATOM 0 H ALA A 21 -2.703 15.150 -3.448 1.00 12.13 H new ATOM 0 HA ALA A 21 -5.265 16.284 -3.171 1.00 12.14 H new ATOM 0 HB1 ALA A 21 -5.965 14.143 -4.305 1.00 42.34 H new ATOM 0 HB2 ALA A 21 -4.573 14.905 -5.111 1.00 42.34 H new ATOM 0 HB3 ALA A 21 -4.325 13.501 -4.046 1.00 42.34 H new ATOM 462 N ILE A 22 -4.602 13.957 -0.963 1.00 75.12 N ATOM 463 CA ILE A 22 -5.040 13.408 0.325 1.00 35.51 C ATOM 464 C ILE A 22 -5.130 14.464 1.449 1.00 73.45 C ATOM 465 O ILE A 22 -5.898 14.249 2.384 1.00 23.31 O ATOM 466 CB ILE A 22 -4.132 12.245 0.819 1.00 70.33 C ATOM 467 CG1 ILE A 22 -2.655 12.661 1.010 1.00 10.22 C ATOM 468 CG2 ILE A 22 -4.278 11.011 -0.093 1.00 12.01 C ATOM 469 CD1 ILE A 22 -1.779 11.625 1.711 1.00 1.15 C ATOM 0 H ILE A 22 -3.652 13.687 -1.217 1.00 75.12 H new ATOM 0 HA ILE A 22 -6.042 13.031 0.122 1.00 35.51 H new ATOM 0 HB ILE A 22 -4.483 11.972 1.814 1.00 70.33 H new ATOM 0 HG12 ILE A 22 -2.225 12.877 0.032 1.00 10.22 H new ATOM 0 HG13 ILE A 22 -2.625 13.588 1.583 1.00 10.22 H new ATOM 0 HG21 ILE A 22 -3.634 10.211 0.272 1.00 12.01 H new ATOM 0 HG22 ILE A 22 -5.315 10.674 -0.086 1.00 12.01 H new ATOM 0 HG23 ILE A 22 -3.989 11.274 -1.110 1.00 12.01 H new ATOM 0 HD11 ILE A 22 -0.762 12.008 1.798 1.00 1.15 H new ATOM 0 HD12 ILE A 22 -2.178 11.424 2.705 1.00 1.15 H new ATOM 0 HD13 ILE A 22 -1.771 10.703 1.130 1.00 1.15 H new ATOM 481 N GLY A 23 -4.388 15.579 1.325 1.00 70.33 N ATOM 482 CA GLY A 23 -4.429 16.692 2.271 1.00 22.51 C ATOM 483 C GLY A 23 -3.277 16.657 3.288 1.00 33.33 C ATOM 484 O GLY A 23 -3.410 17.284 4.338 1.00 32.51 O ATOM 0 H GLY A 23 -3.738 15.727 0.553 1.00 70.33 H new ATOM 0 HA2 GLY A 23 -4.392 17.632 1.720 1.00 22.51 H new ATOM 0 HA3 GLY A 23 -5.379 16.673 2.805 1.00 22.51 H new ATOM 488 N LEU A 24 -2.157 15.969 2.997 1.00 51.21 N ATOM 489 CA LEU A 24 -0.911 16.079 3.773 1.00 40.21 C ATOM 490 C LEU A 24 -0.262 17.460 3.509 1.00 64.14 C ATOM 491 O LEU A 24 -0.303 17.920 2.364 1.00 12.25 O ATOM 492 CB LEU A 24 0.063 14.935 3.372 1.00 21.34 C ATOM 493 CG LEU A 24 0.294 13.884 4.479 1.00 34.32 C ATOM 494 CD1 LEU A 24 -0.991 13.116 4.834 1.00 54.24 C ATOM 495 CD2 LEU A 24 1.465 12.939 4.138 1.00 73.21 C ATOM 0 H LEU A 24 -2.092 15.319 2.214 1.00 51.21 H new ATOM 0 HA LEU A 24 -1.132 15.988 4.836 1.00 40.21 H new ATOM 0 HB2 LEU A 24 -0.328 14.434 2.487 1.00 21.34 H new ATOM 0 HB3 LEU A 24 1.023 15.371 3.094 1.00 21.34 H new ATOM 0 HG LEU A 24 0.581 14.431 5.377 1.00 34.32 H new ATOM 0 HD11 LEU A 24 -0.776 12.389 5.617 1.00 54.24 H new ATOM 0 HD12 LEU A 24 -1.748 13.817 5.187 1.00 54.24 H new ATOM 0 HD13 LEU A 24 -1.361 12.598 3.949 1.00 54.24 H new ATOM 0 HD21 LEU A 24 1.594 12.215 4.942 1.00 73.21 H new ATOM 0 HD22 LEU A 24 1.249 12.413 3.208 1.00 73.21 H new ATOM 0 HD23 LEU A 24 2.380 13.520 4.023 1.00 73.21 H new ATOM 507 N PRO A 25 0.330 18.096 4.551 1.00 71.41 N ATOM 508 CA PRO A 25 1.013 19.394 4.396 1.00 32.11 C ATOM 509 C PRO A 25 2.245 19.287 3.486 1.00 31.01 C ATOM 510 O PRO A 25 2.945 18.275 3.538 1.00 43.43 O ATOM 511 CB PRO A 25 1.394 19.780 5.834 1.00 31.20 C ATOM 512 CG PRO A 25 1.553 18.454 6.555 1.00 71.02 C ATOM 513 CD PRO A 25 0.472 17.589 5.918 1.00 65.43 C ATOM 0 HA PRO A 25 0.383 20.143 3.916 1.00 32.11 H new ATOM 0 HB2 PRO A 25 2.318 20.358 5.858 1.00 31.20 H new ATOM 0 HB3 PRO A 25 0.622 20.394 6.298 1.00 31.20 H new ATOM 0 HG2 PRO A 25 2.547 18.031 6.409 1.00 71.02 H new ATOM 0 HG3 PRO A 25 1.406 18.558 7.630 1.00 71.02 H new ATOM 0 HD2 PRO A 25 0.757 16.537 5.920 1.00 65.43 H new ATOM 0 HD3 PRO A 25 -0.467 17.666 6.466 1.00 65.43 H new ATOM 521 N GLU A 26 2.467 20.327 2.666 1.00 4.45 N ATOM 522 CA GLU A 26 3.526 20.397 1.653 1.00 4.32 C ATOM 523 C GLU A 26 4.956 20.203 2.199 1.00 42.12 C ATOM 524 O GLU A 26 5.810 19.718 1.463 1.00 64.11 O ATOM 525 CB GLU A 26 3.340 21.687 0.828 1.00 30.35 C ATOM 526 CG GLU A 26 4.272 21.816 -0.392 1.00 51.21 C ATOM 527 CD GLU A 26 3.931 23.053 -1.221 1.00 74.13 C ATOM 528 OE1 GLU A 26 4.284 24.160 -0.761 1.00 53.40 O ATOM 529 OE2 GLU A 26 3.314 22.871 -2.294 1.00 73.13 O1- ATOM 0 H GLU A 26 1.893 21.170 2.693 1.00 4.45 H new ATOM 0 HA GLU A 26 3.416 19.537 0.992 1.00 4.32 H new ATOM 0 HB2 GLU A 26 2.307 21.736 0.484 1.00 30.35 H new ATOM 0 HB3 GLU A 26 3.499 22.545 1.481 1.00 30.35 H new ATOM 0 HG2 GLU A 26 5.308 21.874 -0.057 1.00 51.21 H new ATOM 0 HG3 GLU A 26 4.187 20.924 -1.013 1.00 51.21 H new ATOM 536 N GLU A 27 5.169 20.497 3.493 1.00 23.43 N ATOM 537 CA GLU A 27 6.389 20.193 4.242 1.00 42.32 C ATOM 538 C GLU A 27 6.711 18.683 4.254 1.00 60.41 C ATOM 539 O GLU A 27 7.835 18.306 3.930 1.00 20.41 O ATOM 540 CB GLU A 27 6.226 20.759 5.673 1.00 44.32 C ATOM 541 CG GLU A 27 7.499 20.755 6.542 1.00 65.14 C ATOM 542 CD GLU A 27 8.547 21.740 6.025 1.00 54.33 C ATOM 543 OE1 GLU A 27 8.402 22.940 6.347 1.00 1.32 O ATOM 544 OE2 GLU A 27 9.466 21.279 5.314 1.00 2.33 O1- ATOM 0 H GLU A 27 4.467 20.970 4.062 1.00 23.43 H new ATOM 0 HA GLU A 27 7.241 20.665 3.752 1.00 42.32 H new ATOM 0 HB2 GLU A 27 5.862 21.784 5.599 1.00 44.32 H new ATOM 0 HB3 GLU A 27 5.456 20.183 6.186 1.00 44.32 H new ATOM 0 HG2 GLU A 27 7.238 21.009 7.569 1.00 65.14 H new ATOM 0 HG3 GLU A 27 7.923 19.751 6.560 1.00 65.14 H new ATOM 551 N LEU A 28 5.702 17.851 4.574 1.00 0.12 N ATOM 552 CA LEU A 28 5.787 16.386 4.566 1.00 12.23 C ATOM 553 C LEU A 28 5.747 15.772 3.155 1.00 43.24 C ATOM 554 O LEU A 28 6.138 14.612 3.021 1.00 61.10 O ATOM 555 CB LEU A 28 4.669 15.789 5.452 1.00 51.32 C ATOM 556 CG LEU A 28 4.787 16.124 6.957 1.00 2.11 C ATOM 557 CD1 LEU A 28 3.559 15.601 7.732 1.00 52.22 C ATOM 558 CD2 LEU A 28 6.116 15.635 7.575 1.00 72.24 C ATOM 0 H LEU A 28 4.782 18.193 4.852 1.00 0.12 H new ATOM 0 HA LEU A 28 6.764 16.128 4.975 1.00 12.23 H new ATOM 0 HB2 LEU A 28 3.706 16.148 5.089 1.00 51.32 H new ATOM 0 HB3 LEU A 28 4.671 14.705 5.334 1.00 51.32 H new ATOM 0 HG LEU A 28 4.802 17.210 7.046 1.00 2.11 H new ATOM 0 HD11 LEU A 28 3.663 15.848 8.789 1.00 52.22 H new ATOM 0 HD12 LEU A 28 2.655 16.066 7.338 1.00 52.22 H new ATOM 0 HD13 LEU A 28 3.490 14.519 7.617 1.00 52.22 H new ATOM 0 HD21 LEU A 28 6.144 15.897 8.633 1.00 72.24 H new ATOM 0 HD22 LEU A 28 6.191 14.553 7.468 1.00 72.24 H new ATOM 0 HD23 LEU A 28 6.952 16.109 7.061 1.00 72.24 H new ATOM 570 N ILE A 29 5.329 16.538 2.129 1.00 60.55 N ATOM 571 CA ILE A 29 5.456 16.142 0.723 1.00 71.25 C ATOM 572 C ILE A 29 6.926 16.283 0.272 1.00 13.24 C ATOM 573 O ILE A 29 7.494 15.311 -0.223 1.00 22.23 O ATOM 574 CB ILE A 29 4.544 16.964 -0.243 1.00 2.25 C ATOM 575 CG1 ILE A 29 3.059 16.899 0.186 1.00 22.34 C ATOM 576 CG2 ILE A 29 4.703 16.531 -1.720 1.00 52.45 C ATOM 577 CD1 ILE A 29 2.103 17.726 -0.684 1.00 11.22 C ATOM 0 H ILE A 29 4.893 17.451 2.258 1.00 60.55 H new ATOM 0 HA ILE A 29 5.127 15.104 0.666 1.00 71.25 H new ATOM 0 HB ILE A 29 4.878 17.999 -0.171 1.00 2.25 H new ATOM 0 HG12 ILE A 29 2.735 15.858 0.169 1.00 22.34 H new ATOM 0 HG13 ILE A 29 2.978 17.241 1.218 1.00 22.34 H new ATOM 0 HG21 ILE A 29 4.047 17.134 -2.348 1.00 52.45 H new ATOM 0 HG22 ILE A 29 5.737 16.675 -2.032 1.00 52.45 H new ATOM 0 HG23 ILE A 29 4.436 15.479 -1.821 1.00 52.45 H new ATOM 0 HD11 ILE A 29 1.085 17.620 -0.309 1.00 11.22 H new ATOM 0 HD12 ILE A 29 2.395 18.776 -0.649 1.00 11.22 H new ATOM 0 HD13 ILE A 29 2.149 17.371 -1.714 1.00 11.22 H new ATOM 589 N GLN A 30 7.524 17.469 0.486 1.00 32.25 N ATOM 590 CA GLN A 30 8.905 17.775 0.100 1.00 61.21 C ATOM 591 C GLN A 30 9.972 16.993 0.887 1.00 51.51 C ATOM 592 O GLN A 30 11.042 16.738 0.334 1.00 1.33 O ATOM 593 CB GLN A 30 9.157 19.300 0.183 1.00 10.35 C ATOM 594 CG GLN A 30 8.312 20.192 -0.760 1.00 51.13 C ATOM 595 CD GLN A 30 8.208 19.678 -2.197 1.00 55.11 C ATOM 596 OE1 GLN A 30 9.221 19.488 -2.863 1.00 12.32 O ATOM 597 NE2 GLN A 30 6.985 19.451 -2.678 1.00 72.51 N ATOM 0 H GLN A 30 7.050 18.251 0.939 1.00 32.25 H new ATOM 0 HA GLN A 30 9.012 17.440 -0.932 1.00 61.21 H new ATOM 0 HB2 GLN A 30 8.976 19.620 1.209 1.00 10.35 H new ATOM 0 HB3 GLN A 30 10.211 19.484 -0.027 1.00 10.35 H new ATOM 0 HG2 GLN A 30 7.307 20.285 -0.347 1.00 51.13 H new ATOM 0 HG3 GLN A 30 8.744 21.193 -0.776 1.00 51.13 H new ATOM 0 HE21 GLN A 30 6.167 19.621 -2.093 1.00 72.51 H new ATOM 0 HE22 GLN A 30 6.868 19.107 -3.631 1.00 72.51 H new ATOM 606 N LYS A 31 9.661 16.599 2.132 1.00 43.00 N ATOM 607 CA LYS A 31 10.500 15.720 2.945 1.00 3.12 C ATOM 608 C LYS A 31 10.286 14.239 2.589 1.00 74.44 C ATOM 609 O LYS A 31 11.273 13.525 2.422 1.00 12.13 O ATOM 610 CB LYS A 31 10.223 15.974 4.442 1.00 33.32 C ATOM 611 CG LYS A 31 10.745 17.339 4.932 1.00 45.12 C ATOM 612 CD LYS A 31 10.241 17.728 6.332 1.00 12.15 C ATOM 613 CE LYS A 31 10.761 16.825 7.459 1.00 65.13 C ATOM 614 NZ LYS A 31 10.291 17.296 8.772 1.00 3.44 N1+ ATOM 0 H LYS A 31 8.805 16.890 2.605 1.00 43.00 H new ATOM 0 HA LYS A 31 11.544 15.950 2.732 1.00 3.12 H new ATOM 0 HB2 LYS A 31 9.149 15.917 4.621 1.00 33.32 H new ATOM 0 HB3 LYS A 31 10.687 15.182 5.030 1.00 33.32 H new ATOM 0 HG2 LYS A 31 11.835 17.319 4.940 1.00 45.12 H new ATOM 0 HG3 LYS A 31 10.446 18.109 4.221 1.00 45.12 H new ATOM 0 HD2 LYS A 31 10.536 18.757 6.540 1.00 12.15 H new ATOM 0 HD3 LYS A 31 9.151 17.702 6.334 1.00 12.15 H new ATOM 0 HE2 LYS A 31 10.425 15.801 7.294 1.00 65.13 H new ATOM 0 HE3 LYS A 31 11.851 16.809 7.443 1.00 65.13 H new ATOM 0 HZ1 LYS A 31 10.656 16.669 9.517 1.00 3.44 H new ATOM 0 HZ2 LYS A 31 10.633 18.264 8.936 1.00 3.44 H new ATOM 0 HZ3 LYS A 31 9.251 17.288 8.792 1.00 3.44 H new ATOM 628 N GLY A 32 9.013 13.814 2.487 1.00 50.40 N ATOM 629 CA GLY A 32 8.608 12.413 2.364 1.00 15.11 C ATOM 630 C GLY A 32 8.874 11.797 0.982 1.00 24.21 C ATOM 631 O GLY A 32 8.945 10.571 0.891 1.00 34.34 O ATOM 0 H GLY A 32 8.222 14.457 2.489 1.00 50.40 H new ATOM 0 HA2 GLY A 32 9.135 11.827 3.117 1.00 15.11 H new ATOM 0 HA3 GLY A 32 7.544 12.334 2.585 1.00 15.11 H new ATOM 635 N LYS A 33 9.035 12.616 -0.075 1.00 12.04 N ATOM 636 CA LYS A 33 9.334 12.166 -1.443 1.00 4.24 C ATOM 637 C LYS A 33 10.717 11.500 -1.585 1.00 31.01 C ATOM 638 O LYS A 33 10.877 10.630 -2.439 1.00 75.03 O ATOM 639 CB LYS A 33 9.194 13.357 -2.424 1.00 50.23 C ATOM 640 CG LYS A 33 10.271 14.454 -2.312 1.00 63.12 C ATOM 641 CD LYS A 33 10.022 15.629 -3.268 1.00 33.54 C ATOM 642 CE LYS A 33 11.195 16.619 -3.290 1.00 3.24 C ATOM 643 NZ LYS A 33 10.965 17.697 -4.265 1.00 40.25 N1+ ATOM 0 H LYS A 33 8.959 13.630 0.003 1.00 12.04 H new ATOM 0 HA LYS A 33 8.607 11.392 -1.690 1.00 4.24 H new ATOM 0 HB2 LYS A 33 9.205 12.967 -3.442 1.00 50.23 H new ATOM 0 HB3 LYS A 33 8.218 13.817 -2.269 1.00 50.23 H new ATOM 0 HG2 LYS A 33 10.301 14.825 -1.287 1.00 63.12 H new ATOM 0 HG3 LYS A 33 11.249 14.020 -2.523 1.00 63.12 H new ATOM 0 HD2 LYS A 33 9.853 15.246 -4.275 1.00 33.54 H new ATOM 0 HD3 LYS A 33 9.113 16.152 -2.969 1.00 33.54 H new ATOM 0 HE2 LYS A 33 11.332 17.047 -2.297 1.00 3.24 H new ATOM 0 HE3 LYS A 33 12.115 16.091 -3.539 1.00 3.24 H new ATOM 0 HZ1 LYS A 33 11.872 18.143 -4.509 1.00 40.25 H new ATOM 0 HZ2 LYS A 33 10.531 17.302 -5.124 1.00 40.25 H new ATOM 0 HZ3 LYS A 33 10.329 18.409 -3.852 1.00 40.25 H new ATOM 657 N ASP A 34 11.680 11.954 -0.766 1.00 62.15 N ATOM 658 CA ASP A 34 13.107 11.637 -0.866 1.00 21.33 C ATOM 659 C ASP A 34 13.480 10.393 -0.030 1.00 71.54 C ATOM 660 O ASP A 34 14.525 9.791 -0.279 1.00 72.31 O ATOM 661 CB ASP A 34 13.914 12.881 -0.405 1.00 41.55 C ATOM 662 CG ASP A 34 15.309 13.045 -1.022 1.00 64.03 C ATOM 663 OD1 ASP A 34 15.756 12.144 -1.765 1.00 3.04 O ATOM 664 OD2 ASP A 34 15.913 14.101 -0.733 1.00 22.15 O1- ATOM 0 H ASP A 34 11.473 12.577 0.015 1.00 62.15 H new ATOM 0 HA ASP A 34 13.350 11.395 -1.901 1.00 21.33 H new ATOM 0 HB2 ASP A 34 13.330 13.773 -0.633 1.00 41.55 H new ATOM 0 HB3 ASP A 34 14.021 12.839 0.679 1.00 41.55 H new ATOM 669 N ILE A 35 12.630 10.029 0.946 1.00 31.14 N ATOM 670 CA ILE A 35 12.848 8.944 1.903 1.00 55.24 C ATOM 671 C ILE A 35 12.798 7.559 1.227 1.00 62.22 C ATOM 672 O ILE A 35 11.964 7.336 0.348 1.00 12.45 O ATOM 673 CB ILE A 35 11.764 8.979 3.026 1.00 1.50 C ATOM 674 CG1 ILE A 35 11.696 10.353 3.727 1.00 2.13 C ATOM 675 CG2 ILE A 35 11.870 7.851 4.077 1.00 34.10 C ATOM 676 CD1 ILE A 35 12.936 10.747 4.544 1.00 60.03 C ATOM 0 H ILE A 35 11.739 10.505 1.091 1.00 31.14 H new ATOM 0 HA ILE A 35 13.841 9.096 2.326 1.00 55.24 H new ATOM 0 HB ILE A 35 10.833 8.801 2.489 1.00 1.50 H new ATOM 0 HG12 ILE A 35 11.524 11.118 2.970 1.00 2.13 H new ATOM 0 HG13 ILE A 35 10.830 10.360 4.389 1.00 2.13 H new ATOM 0 HG21 ILE A 35 11.074 7.963 4.813 1.00 34.10 H new ATOM 0 HG22 ILE A 35 11.774 6.884 3.584 1.00 34.10 H new ATOM 0 HG23 ILE A 35 12.837 7.909 4.577 1.00 34.10 H new ATOM 0 HD11 ILE A 35 12.780 11.728 4.992 1.00 60.03 H new ATOM 0 HD12 ILE A 35 13.102 10.011 5.331 1.00 60.03 H new ATOM 0 HD13 ILE A 35 13.807 10.781 3.890 1.00 60.03 H new ATOM 688 N LYS A 36 13.667 6.649 1.700 1.00 74.41 N ATOM 689 CA LYS A 36 13.685 5.224 1.360 1.00 33.25 C ATOM 690 C LYS A 36 12.568 4.497 2.143 1.00 45.41 C ATOM 691 O LYS A 36 12.865 3.724 3.055 1.00 40.12 O ATOM 692 CB LYS A 36 15.085 4.646 1.688 1.00 5.55 C ATOM 693 CG LYS A 36 16.292 5.376 1.070 1.00 63.32 C ATOM 694 CD LYS A 36 16.323 5.394 -0.465 1.00 41.44 C ATOM 695 CE LYS A 36 17.613 6.039 -0.997 1.00 21.10 C ATOM 696 NZ LYS A 36 17.641 6.064 -2.469 1.00 52.24 N1+ ATOM 0 H LYS A 36 14.405 6.902 2.357 1.00 74.41 H new ATOM 0 HA LYS A 36 13.496 5.079 0.296 1.00 33.25 H new ATOM 0 HB2 LYS A 36 15.207 4.642 2.771 1.00 5.55 H new ATOM 0 HB3 LYS A 36 15.110 3.607 1.360 1.00 5.55 H new ATOM 0 HG2 LYS A 36 16.299 6.405 1.431 1.00 63.32 H new ATOM 0 HG3 LYS A 36 17.206 4.905 1.431 1.00 63.32 H new ATOM 0 HD2 LYS A 36 16.242 4.375 -0.843 1.00 41.44 H new ATOM 0 HD3 LYS A 36 15.459 5.943 -0.841 1.00 41.44 H new ATOM 0 HE2 LYS A 36 17.696 7.056 -0.614 1.00 21.10 H new ATOM 0 HE3 LYS A 36 18.476 5.487 -0.626 1.00 21.10 H new ATOM 0 HZ1 LYS A 36 18.525 6.506 -2.792 1.00 52.24 H new ATOM 0 HZ2 LYS A 36 17.586 5.092 -2.834 1.00 52.24 H new ATOM 0 HZ3 LYS A 36 16.831 6.612 -2.822 1.00 52.24 H new ATOM 710 N GLY A 37 11.301 4.813 1.811 1.00 23.34 N ATOM 711 CA GLY A 37 10.096 4.401 2.537 1.00 45.33 C ATOM 712 C GLY A 37 9.977 2.875 2.595 1.00 41.21 C ATOM 713 O GLY A 37 10.254 2.195 1.612 1.00 4.23 O ATOM 0 H GLY A 37 11.086 5.386 0.995 1.00 23.34 H new ATOM 0 HA2 GLY A 37 10.123 4.805 3.549 1.00 45.33 H new ATOM 0 HA3 GLY A 37 9.215 4.819 2.050 1.00 45.33 H new ATOM 717 N VAL A 38 9.571 2.348 3.755 1.00 63.12 N ATOM 718 CA VAL A 38 9.533 0.913 4.026 1.00 63.14 C ATOM 719 C VAL A 38 8.070 0.455 4.117 1.00 60.44 C ATOM 720 O VAL A 38 7.229 1.183 4.639 1.00 44.23 O ATOM 721 CB VAL A 38 10.267 0.584 5.359 1.00 70.34 C ATOM 722 CG1 VAL A 38 10.202 -0.901 5.782 1.00 54.02 C ATOM 723 CG2 VAL A 38 11.743 1.026 5.295 1.00 31.32 C ATOM 0 H VAL A 38 9.256 2.917 4.541 1.00 63.12 H new ATOM 0 HA VAL A 38 10.038 0.388 3.215 1.00 63.14 H new ATOM 0 HB VAL A 38 9.727 1.148 6.119 1.00 70.34 H new ATOM 0 HG11 VAL A 38 10.740 -1.036 6.721 1.00 54.02 H new ATOM 0 HG12 VAL A 38 9.161 -1.196 5.914 1.00 54.02 H new ATOM 0 HG13 VAL A 38 10.659 -1.520 5.010 1.00 54.02 H new ATOM 0 HG21 VAL A 38 12.236 0.786 6.237 1.00 31.32 H new ATOM 0 HG22 VAL A 38 12.244 0.504 4.480 1.00 31.32 H new ATOM 0 HG23 VAL A 38 11.794 2.101 5.122 1.00 31.32 H new ATOM 733 N SER A 39 7.813 -0.762 3.620 1.00 2.42 N ATOM 734 CA SER A 39 6.538 -1.453 3.742 1.00 44.24 C ATOM 735 C SER A 39 6.772 -2.820 4.402 1.00 54.13 C ATOM 736 O SER A 39 7.859 -3.386 4.314 1.00 2.40 O ATOM 737 CB SER A 39 5.886 -1.552 2.346 1.00 2.01 C ATOM 738 OG SER A 39 4.612 -2.166 2.389 1.00 13.42 O ATOM 0 H SER A 39 8.511 -1.302 3.109 1.00 2.42 H new ATOM 0 HA SER A 39 5.845 -0.905 4.380 1.00 44.24 H new ATOM 0 HB2 SER A 39 5.791 -0.553 1.921 1.00 2.01 H new ATOM 0 HB3 SER A 39 6.538 -2.120 1.683 1.00 2.01 H new ATOM 0 HG SER A 39 4.237 -2.205 1.484 1.00 13.42 H new ATOM 744 N GLU A 40 5.727 -3.332 5.054 1.00 10.33 N ATOM 745 CA GLU A 40 5.670 -4.673 5.617 1.00 32.53 C ATOM 746 C GLU A 40 4.243 -5.154 5.353 1.00 52.00 C ATOM 747 O GLU A 40 3.307 -4.361 5.444 1.00 5.23 O ATOM 748 CB GLU A 40 6.038 -4.621 7.123 1.00 74.12 C ATOM 749 CG GLU A 40 6.779 -5.854 7.679 1.00 23.34 C ATOM 750 CD GLU A 40 5.977 -7.154 7.732 1.00 35.54 C ATOM 751 OE1 GLU A 40 6.595 -8.206 7.464 1.00 3.21 O ATOM 752 OE2 GLU A 40 4.776 -7.077 8.070 1.00 73.21 O1- ATOM 0 H GLU A 40 4.869 -2.802 5.208 1.00 10.33 H new ATOM 0 HA GLU A 40 6.382 -5.367 5.171 1.00 32.53 H new ATOM 0 HB2 GLU A 40 6.657 -3.741 7.295 1.00 74.12 H new ATOM 0 HB3 GLU A 40 5.121 -4.483 7.696 1.00 74.12 H new ATOM 0 HG2 GLU A 40 7.667 -6.024 7.070 1.00 23.34 H new ATOM 0 HG3 GLU A 40 7.123 -5.622 8.687 1.00 23.34 H new ATOM 759 N ILE A 41 4.102 -6.437 5.011 1.00 61.23 N ATOM 760 CA ILE A 41 2.800 -7.064 4.833 1.00 42.43 C ATOM 761 C ILE A 41 2.842 -8.403 5.574 1.00 63.52 C ATOM 762 O ILE A 41 3.856 -9.098 5.521 1.00 75.40 O ATOM 763 CB ILE A 41 2.440 -7.333 3.342 1.00 2.44 C ATOM 764 CG1 ILE A 41 2.741 -6.126 2.422 1.00 52.20 C ATOM 765 CG2 ILE A 41 0.962 -7.763 3.199 1.00 14.43 C ATOM 766 CD1 ILE A 41 2.590 -6.433 0.926 1.00 12.11 C ATOM 0 H ILE A 41 4.889 -7.066 4.851 1.00 61.23 H new ATOM 0 HA ILE A 41 2.040 -6.385 5.220 1.00 42.43 H new ATOM 0 HB ILE A 41 3.082 -8.150 3.015 1.00 2.44 H new ATOM 0 HG12 ILE A 41 2.072 -5.306 2.684 1.00 52.20 H new ATOM 0 HG13 ILE A 41 3.758 -5.781 2.612 1.00 52.20 H new ATOM 0 HG21 ILE A 41 0.736 -7.945 2.148 1.00 14.43 H new ATOM 0 HG22 ILE A 41 0.792 -8.676 3.770 1.00 14.43 H new ATOM 0 HG23 ILE A 41 0.315 -6.972 3.578 1.00 14.43 H new ATOM 0 HD11 ILE A 41 2.817 -5.538 0.346 1.00 12.11 H new ATOM 0 HD12 ILE A 41 3.278 -7.231 0.647 1.00 12.11 H new ATOM 0 HD13 ILE A 41 1.567 -6.748 0.721 1.00 12.11 H new ATOM 778 N VAL A 42 1.734 -8.726 6.249 1.00 61.12 N ATOM 779 CA VAL A 42 1.513 -9.990 6.937 1.00 35.52 C ATOM 780 C VAL A 42 0.270 -10.636 6.303 1.00 4.05 C ATOM 781 O VAL A 42 -0.704 -9.933 6.032 1.00 65.04 O ATOM 782 CB VAL A 42 1.216 -9.767 8.448 1.00 31.23 C ATOM 783 CG1 VAL A 42 1.039 -11.083 9.227 1.00 33.13 C ATOM 784 CG2 VAL A 42 2.294 -8.909 9.135 1.00 72.01 C ATOM 0 H VAL A 42 0.942 -8.088 6.331 1.00 61.12 H new ATOM 0 HA VAL A 42 2.404 -10.612 6.846 1.00 35.52 H new ATOM 0 HB VAL A 42 0.268 -9.229 8.471 1.00 31.23 H new ATOM 0 HG11 VAL A 42 0.834 -10.861 10.274 1.00 33.13 H new ATOM 0 HG12 VAL A 42 0.206 -11.646 8.806 1.00 33.13 H new ATOM 0 HG13 VAL A 42 1.951 -11.675 9.153 1.00 33.13 H new ATOM 0 HG21 VAL A 42 2.042 -8.782 10.188 1.00 72.01 H new ATOM 0 HG22 VAL A 42 3.261 -9.404 9.051 1.00 72.01 H new ATOM 0 HG23 VAL A 42 2.343 -7.932 8.653 1.00 72.01 H new ATOM 794 N GLN A 43 0.323 -11.961 6.107 1.00 74.40 N ATOM 795 CA GLN A 43 -0.811 -12.767 5.666 1.00 30.22 C ATOM 796 C GLN A 43 -1.042 -13.863 6.712 1.00 35.33 C ATOM 797 O GLN A 43 -0.206 -14.754 6.857 1.00 41.12 O ATOM 798 CB GLN A 43 -0.538 -13.318 4.253 1.00 42.11 C ATOM 799 CG GLN A 43 -1.692 -14.184 3.701 1.00 34.04 C ATOM 800 CD GLN A 43 -1.540 -14.517 2.217 1.00 1.32 C ATOM 801 OE1 GLN A 43 -0.493 -14.287 1.618 1.00 41.31 O ATOM 802 NE2 GLN A 43 -2.593 -15.069 1.613 1.00 12.51 N ATOM 0 H GLN A 43 1.172 -12.507 6.255 1.00 74.40 H new ATOM 0 HA GLN A 43 -1.724 -12.176 5.589 1.00 30.22 H new ATOM 0 HB2 GLN A 43 -0.362 -12.484 3.573 1.00 42.11 H new ATOM 0 HB3 GLN A 43 0.376 -13.912 4.273 1.00 42.11 H new ATOM 0 HG2 GLN A 43 -1.746 -15.112 4.271 1.00 34.04 H new ATOM 0 HG3 GLN A 43 -2.636 -13.660 3.854 1.00 34.04 H new ATOM 0 HE21 GLN A 43 -3.448 -15.247 2.140 1.00 12.51 H new ATOM 0 HE22 GLN A 43 -2.543 -15.313 0.624 1.00 12.51 H new ATOM 811 N ASN A 44 -2.176 -13.752 7.421 1.00 25.45 N ATOM 812 CA ASN A 44 -2.630 -14.658 8.475 1.00 44.42 C ATOM 813 C ASN A 44 -3.981 -15.250 8.041 1.00 53.04 C ATOM 814 O ASN A 44 -5.015 -14.932 8.630 1.00 61.10 O ATOM 815 CB ASN A 44 -2.732 -13.877 9.811 1.00 64.41 C ATOM 816 CG ASN A 44 -1.388 -13.476 10.426 1.00 15.53 C ATOM 817 OD1 ASN A 44 -0.353 -14.080 10.156 1.00 22.31 O ATOM 818 ND2 ASN A 44 -1.401 -12.454 11.286 1.00 74.22 N ATOM 0 H ASN A 44 -2.831 -12.987 7.263 1.00 25.45 H new ATOM 0 HA ASN A 44 -1.927 -15.476 8.632 1.00 44.42 H new ATOM 0 HB2 ASN A 44 -3.322 -12.976 9.644 1.00 64.41 H new ATOM 0 HB3 ASN A 44 -3.277 -14.487 10.531 1.00 64.41 H new ATOM 0 HD21 ASN A 44 -0.536 -12.157 11.738 1.00 74.22 H new ATOM 0 HD22 ASN A 44 -2.276 -11.971 11.491 1.00 74.22 H new ATOM 825 N GLY A 45 -3.941 -16.096 6.997 1.00 55.11 N ATOM 826 CA GLY A 45 -5.123 -16.739 6.422 1.00 22.41 C ATOM 827 C GLY A 45 -5.938 -15.700 5.644 1.00 72.11 C ATOM 828 O GLY A 45 -5.423 -15.080 4.713 1.00 3.32 O ATOM 0 H GLY A 45 -3.073 -16.352 6.527 1.00 55.11 H new ATOM 0 HA2 GLY A 45 -4.823 -17.552 5.761 1.00 22.41 H new ATOM 0 HA3 GLY A 45 -5.732 -17.179 7.212 1.00 22.41 H new ATOM 832 N LYS A 46 -7.213 -15.534 6.029 1.00 5.11 N ATOM 833 CA LYS A 46 -8.107 -14.499 5.502 1.00 20.40 C ATOM 834 C LYS A 46 -7.726 -13.091 5.987 1.00 71.33 C ATOM 835 O LYS A 46 -7.927 -12.133 5.243 1.00 41.04 O ATOM 836 CB LYS A 46 -9.567 -14.815 5.891 1.00 51.11 C ATOM 837 CG LYS A 46 -10.118 -16.170 5.405 1.00 71.21 C ATOM 838 CD LYS A 46 -10.133 -16.361 3.877 1.00 71.33 C ATOM 839 CE LYS A 46 -8.895 -17.083 3.321 1.00 20.20 C ATOM 840 NZ LYS A 46 -8.980 -17.239 1.860 1.00 73.11 N1+ ATOM 0 H LYS A 46 -7.657 -16.128 6.729 1.00 5.11 H new ATOM 0 HA LYS A 46 -8.004 -14.505 4.417 1.00 20.40 H new ATOM 0 HB2 LYS A 46 -9.648 -14.781 6.977 1.00 51.11 H new ATOM 0 HB3 LYS A 46 -10.206 -14.024 5.499 1.00 51.11 H new ATOM 0 HG2 LYS A 46 -9.522 -16.967 5.849 1.00 71.21 H new ATOM 0 HG3 LYS A 46 -11.135 -16.286 5.780 1.00 71.21 H new ATOM 0 HD2 LYS A 46 -11.024 -16.926 3.601 1.00 71.33 H new ATOM 0 HD3 LYS A 46 -10.215 -15.384 3.401 1.00 71.33 H new ATOM 0 HE2 LYS A 46 -7.997 -16.521 3.577 1.00 20.20 H new ATOM 0 HE3 LYS A 46 -8.802 -18.063 3.789 1.00 20.20 H new ATOM 0 HZ1 LYS A 46 -8.131 -17.729 1.513 1.00 73.11 H new ATOM 0 HZ2 LYS A 46 -9.824 -17.796 1.619 1.00 73.11 H new ATOM 0 HZ3 LYS A 46 -9.045 -16.302 1.414 1.00 73.11 H new ATOM 854 N HIS A 47 -7.183 -12.991 7.216 1.00 31.14 N ATOM 855 CA HIS A 47 -6.691 -11.740 7.777 1.00 24.30 C ATOM 856 C HIS A 47 -5.375 -11.326 7.103 1.00 32.21 C ATOM 857 O HIS A 47 -4.514 -12.167 6.846 1.00 44.23 O ATOM 858 CB HIS A 47 -6.538 -11.859 9.308 1.00 54.34 C ATOM 859 CG HIS A 47 -6.362 -10.533 10.012 1.00 0.32 C ATOM 860 ND1 HIS A 47 -7.383 -9.604 10.112 1.00 54.25 N ATOM 861 CD2 HIS A 47 -5.282 -9.960 10.645 1.00 21.51 C ATOM 862 CE1 HIS A 47 -6.895 -8.545 10.761 1.00 22.13 C ATOM 863 NE2 HIS A 47 -5.625 -8.691 11.119 1.00 23.21 N ATOM 0 H HIS A 47 -7.078 -13.788 7.843 1.00 31.14 H new ATOM 0 HA HIS A 47 -7.420 -10.954 7.579 1.00 24.30 H new ATOM 0 HB2 HIS A 47 -7.417 -12.360 9.713 1.00 54.34 H new ATOM 0 HB3 HIS A 47 -5.679 -12.493 9.529 1.00 54.34 H new ATOM 0 HD1 HIS A 47 -8.333 -9.709 9.756 1.00 54.25 H new ATOM 0 HD2 HIS A 47 -4.313 -10.423 10.758 1.00 21.51 H new ATOM 0 HE1 HIS A 47 -7.475 -7.659 10.973 1.00 22.13 H new ATOM 871 N PHE A 48 -5.256 -10.021 6.856 1.00 74.42 N ATOM 872 CA PHE A 48 -4.058 -9.353 6.379 1.00 52.41 C ATOM 873 C PHE A 48 -3.714 -8.208 7.329 1.00 65.41 C ATOM 874 O PHE A 48 -4.605 -7.613 7.939 1.00 43.24 O ATOM 875 CB PHE A 48 -4.299 -8.787 4.967 1.00 3.43 C ATOM 876 CG PHE A 48 -4.187 -9.785 3.832 1.00 54.13 C ATOM 877 CD1 PHE A 48 -5.307 -10.541 3.432 1.00 12.33 C ATOM 878 CD2 PHE A 48 -2.928 -10.066 3.264 1.00 73.22 C ATOM 879 CE1 PHE A 48 -5.179 -11.490 2.427 1.00 31.21 C ATOM 880 CE2 PHE A 48 -2.820 -11.019 2.262 1.00 75.23 C ATOM 881 CZ PHE A 48 -3.942 -11.720 1.837 1.00 72.20 C ATOM 0 H PHE A 48 -6.034 -9.375 6.992 1.00 74.42 H new ATOM 0 HA PHE A 48 -3.236 -10.068 6.342 1.00 52.41 H new ATOM 0 HB2 PHE A 48 -5.294 -8.342 4.939 1.00 3.43 H new ATOM 0 HB3 PHE A 48 -3.585 -7.983 4.791 1.00 3.43 H new ATOM 0 HD1 PHE A 48 -6.264 -10.382 3.907 1.00 12.33 H new ATOM 0 HD2 PHE A 48 -2.049 -9.541 3.608 1.00 73.22 H new ATOM 0 HE1 PHE A 48 -6.043 -12.051 2.103 1.00 31.21 H new ATOM 0 HE2 PHE A 48 -1.859 -11.217 1.810 1.00 75.23 H new ATOM 0 HZ PHE A 48 -3.852 -12.448 1.044 1.00 72.20 H new ATOM 891 N LYS A 49 -2.423 -7.874 7.361 1.00 64.51 N ATOM 892 CA LYS A 49 -1.967 -6.600 7.885 1.00 74.12 C ATOM 893 C LYS A 49 -1.038 -5.968 6.851 1.00 23.12 C ATOM 894 O LYS A 49 -0.300 -6.682 6.176 1.00 32.45 O ATOM 895 CB LYS A 49 -1.230 -6.781 9.225 1.00 31.13 C ATOM 896 CG LYS A 49 -1.359 -5.517 10.087 1.00 65.33 C ATOM 897 CD LYS A 49 -0.189 -5.237 11.035 1.00 22.54 C ATOM 898 CE LYS A 49 0.118 -6.357 12.034 1.00 0.54 C ATOM 899 NZ LYS A 49 1.174 -5.932 12.966 1.00 11.34 N1+ ATOM 0 H LYS A 49 -1.674 -8.479 7.025 1.00 64.51 H new ATOM 0 HA LYS A 49 -2.825 -5.954 8.072 1.00 74.12 H new ATOM 0 HB2 LYS A 49 -1.642 -7.636 9.760 1.00 31.13 H new ATOM 0 HB3 LYS A 49 -0.177 -6.997 9.041 1.00 31.13 H new ATOM 0 HG2 LYS A 49 -1.480 -4.659 9.425 1.00 65.33 H new ATOM 0 HG3 LYS A 49 -2.271 -5.594 10.678 1.00 65.33 H new ATOM 0 HD2 LYS A 49 0.704 -5.047 10.439 1.00 22.54 H new ATOM 0 HD3 LYS A 49 -0.402 -4.324 11.590 1.00 22.54 H new ATOM 0 HE2 LYS A 49 -0.784 -6.617 12.589 1.00 0.54 H new ATOM 0 HE3 LYS A 49 0.433 -7.254 11.500 1.00 0.54 H new ATOM 0 HZ1 LYS A 49 2.041 -6.476 12.780 1.00 11.34 H new ATOM 0 HZ2 LYS A 49 1.366 -4.918 12.834 1.00 11.34 H new ATOM 0 HZ3 LYS A 49 0.863 -6.101 13.944 1.00 11.34 H new ATOM 913 N PHE A 50 -1.060 -4.634 6.802 1.00 3.40 N ATOM 914 CA PHE A 50 -0.033 -3.813 6.181 1.00 12.22 C ATOM 915 C PHE A 50 0.572 -2.906 7.253 1.00 40.53 C ATOM 916 O PHE A 50 -0.125 -2.509 8.185 1.00 2.33 O ATOM 917 CB PHE A 50 -0.629 -2.980 5.024 1.00 4.42 C ATOM 918 CG PHE A 50 -0.771 -3.713 3.701 1.00 74.03 C ATOM 919 CD1 PHE A 50 -1.692 -4.774 3.563 1.00 50.23 C ATOM 920 CD2 PHE A 50 0.065 -3.387 2.613 1.00 61.21 C ATOM 921 CE1 PHE A 50 -1.782 -5.467 2.364 1.00 41.23 C ATOM 922 CE2 PHE A 50 -0.052 -4.083 1.416 1.00 2.54 C ATOM 923 CZ PHE A 50 -0.968 -5.120 1.295 1.00 33.23 C ATOM 0 H PHE A 50 -1.818 -4.085 7.207 1.00 3.40 H new ATOM 0 HA PHE A 50 0.745 -4.447 5.757 1.00 12.22 H new ATOM 0 HB2 PHE A 50 -1.612 -2.619 5.327 1.00 4.42 H new ATOM 0 HB3 PHE A 50 -0.001 -2.103 4.869 1.00 4.42 H new ATOM 0 HD1 PHE A 50 -2.328 -5.047 4.392 1.00 50.23 H new ATOM 0 HD2 PHE A 50 0.795 -2.597 2.710 1.00 61.21 H new ATOM 0 HE1 PHE A 50 -2.487 -6.278 2.263 1.00 41.23 H new ATOM 0 HE2 PHE A 50 0.572 -3.816 0.576 1.00 2.54 H new ATOM 0 HZ PHE A 50 -1.047 -5.660 0.363 1.00 33.23 H new ATOM 933 N THR A 51 1.851 -2.574 7.063 1.00 53.41 N ATOM 934 CA THR A 51 2.547 -1.476 7.719 1.00 52.03 C ATOM 935 C THR A 51 3.223 -0.665 6.607 1.00 73.11 C ATOM 936 O THR A 51 3.794 -1.268 5.700 1.00 24.43 O ATOM 937 CB THR A 51 3.660 -1.957 8.686 1.00 20.44 C ATOM 938 OG1 THR A 51 3.136 -2.904 9.593 1.00 61.14 O ATOM 939 CG2 THR A 51 4.301 -0.828 9.514 1.00 52.31 C ATOM 0 H THR A 51 2.452 -3.088 6.419 1.00 53.41 H new ATOM 0 HA THR A 51 1.825 -0.908 8.305 1.00 52.03 H new ATOM 0 HB THR A 51 4.432 -2.385 8.047 1.00 20.44 H new ATOM 0 HG1 THR A 51 3.845 -3.204 10.199 1.00 61.14 H new ATOM 0 HG21 THR A 51 5.069 -1.245 10.165 1.00 52.31 H new ATOM 0 HG22 THR A 51 4.752 -0.096 8.844 1.00 52.31 H new ATOM 0 HG23 THR A 51 3.536 -0.342 10.120 1.00 52.31 H new ATOM 947 N ILE A 52 3.139 0.671 6.669 1.00 25.40 N ATOM 948 CA ILE A 52 3.772 1.556 5.694 1.00 53.13 C ATOM 949 C ILE A 52 4.398 2.719 6.479 1.00 32.23 C ATOM 950 O ILE A 52 3.675 3.534 7.051 1.00 61.24 O ATOM 951 CB ILE A 52 2.778 2.102 4.621 1.00 31.34 C ATOM 952 CG1 ILE A 52 2.016 0.972 3.884 1.00 71.24 C ATOM 953 CG2 ILE A 52 3.482 3.022 3.596 1.00 40.02 C ATOM 954 CD1 ILE A 52 0.881 1.468 2.974 1.00 52.10 C ATOM 0 H ILE A 52 2.628 1.165 7.400 1.00 25.40 H new ATOM 0 HA ILE A 52 4.520 0.990 5.139 1.00 53.13 H new ATOM 0 HB ILE A 52 2.046 2.693 5.171 1.00 31.34 H new ATOM 0 HG12 ILE A 52 2.725 0.402 3.284 1.00 71.24 H new ATOM 0 HG13 ILE A 52 1.601 0.287 4.623 1.00 71.24 H new ATOM 0 HG21 ILE A 52 2.754 3.380 2.868 1.00 40.02 H new ATOM 0 HG22 ILE A 52 3.925 3.873 4.114 1.00 40.02 H new ATOM 0 HG23 ILE A 52 4.264 2.463 3.082 1.00 40.02 H new ATOM 0 HD11 ILE A 52 0.399 0.615 2.496 1.00 52.10 H new ATOM 0 HD12 ILE A 52 0.148 2.012 3.570 1.00 52.10 H new ATOM 0 HD13 ILE A 52 1.290 2.129 2.210 1.00 52.10 H new ATOM 966 N THR A 53 5.737 2.745 6.510 1.00 2.25 N ATOM 967 CA THR A 53 6.545 3.720 7.236 1.00 34.41 C ATOM 968 C THR A 53 7.166 4.724 6.251 1.00 12.24 C ATOM 969 O THR A 53 7.666 4.322 5.199 1.00 50.34 O ATOM 970 CB THR A 53 7.696 3.007 7.996 1.00 3.33 C ATOM 971 OG1 THR A 53 7.133 2.108 8.931 1.00 41.31 O ATOM 972 CG2 THR A 53 8.665 3.931 8.756 1.00 74.21 C ATOM 0 H THR A 53 6.303 2.060 6.010 1.00 2.25 H new ATOM 0 HA THR A 53 5.899 4.238 7.945 1.00 34.41 H new ATOM 0 HB THR A 53 8.288 2.515 7.224 1.00 3.33 H new ATOM 0 HG1 THR A 53 7.850 1.650 9.417 1.00 41.31 H new ATOM 0 HG21 THR A 53 9.429 3.330 9.250 1.00 74.21 H new ATOM 0 HG22 THR A 53 9.140 4.616 8.054 1.00 74.21 H new ATOM 0 HG23 THR A 53 8.113 4.502 9.503 1.00 74.21 H new ATOM 980 N ALA A 54 7.142 6.010 6.636 1.00 42.32 N ATOM 981 CA ALA A 54 7.751 7.120 5.906 1.00 33.40 C ATOM 982 C ALA A 54 8.681 7.922 6.837 1.00 4.42 C ATOM 983 O ALA A 54 9.096 7.406 7.875 1.00 71.34 O ATOM 984 CB ALA A 54 6.642 7.966 5.253 1.00 22.53 C ATOM 0 H ALA A 54 6.681 6.310 7.495 1.00 42.32 H new ATOM 0 HA ALA A 54 8.384 6.752 5.099 1.00 33.40 H new ATOM 0 HB1 ALA A 54 7.091 8.796 4.707 1.00 22.53 H new ATOM 0 HB2 ALA A 54 6.069 7.346 4.564 1.00 22.53 H new ATOM 0 HB3 ALA A 54 5.980 8.356 6.026 1.00 22.53 H new ATOM 990 N GLY A 55 9.040 9.149 6.414 1.00 31.11 N ATOM 991 CA GLY A 55 10.101 9.984 6.990 1.00 55.23 C ATOM 992 C GLY A 55 9.937 10.370 8.468 1.00 64.53 C ATOM 993 O GLY A 55 10.934 10.738 9.089 1.00 72.42 O ATOM 0 H GLY A 55 8.575 9.601 5.627 1.00 31.11 H new ATOM 0 HA2 GLY A 55 11.049 9.458 6.877 1.00 55.23 H new ATOM 0 HA3 GLY A 55 10.172 10.900 6.403 1.00 55.23 H new ATOM 997 N SER A 56 8.717 10.294 9.027 1.00 20.05 N ATOM 998 CA SER A 56 8.422 10.628 10.424 1.00 64.53 C ATOM 999 C SER A 56 7.066 10.066 10.897 1.00 74.02 C ATOM 1000 O SER A 56 6.507 10.605 11.853 1.00 44.30 O ATOM 1001 CB SER A 56 8.567 12.156 10.657 1.00 55.44 C ATOM 1002 OG SER A 56 7.541 12.894 10.020 1.00 64.35 O ATOM 0 H SER A 56 7.894 9.992 8.506 1.00 20.05 H new ATOM 0 HA SER A 56 9.162 10.132 11.052 1.00 64.53 H new ATOM 0 HB2 SER A 56 8.549 12.362 11.727 1.00 55.44 H new ATOM 0 HB3 SER A 56 9.536 12.488 10.284 1.00 55.44 H new ATOM 0 HG SER A 56 7.669 13.850 10.194 1.00 64.35 H new ATOM 1008 N LYS A 57 6.546 9.013 10.242 1.00 63.33 N ATOM 1009 CA LYS A 57 5.223 8.452 10.533 1.00 55.45 C ATOM 1010 C LYS A 57 5.150 6.967 10.155 1.00 41.21 C ATOM 1011 O LYS A 57 5.919 6.507 9.310 1.00 52.43 O ATOM 1012 CB LYS A 57 4.124 9.300 9.837 1.00 2.22 C ATOM 1013 CG LYS A 57 4.133 9.270 8.290 1.00 75.24 C ATOM 1014 CD LYS A 57 3.070 8.358 7.642 1.00 51.34 C ATOM 1015 CE LYS A 57 1.725 9.055 7.361 1.00 72.22 C ATOM 1016 NZ LYS A 57 1.026 9.472 8.588 1.00 60.33 N1+ ATOM 0 H LYS A 57 7.038 8.527 9.492 1.00 63.33 H new ATOM 0 HA LYS A 57 5.046 8.499 11.608 1.00 55.45 H new ATOM 0 HB2 LYS A 57 3.150 8.954 10.183 1.00 2.22 H new ATOM 0 HB3 LYS A 57 4.229 10.335 10.163 1.00 2.22 H new ATOM 0 HG2 LYS A 57 3.989 10.286 7.922 1.00 75.24 H new ATOM 0 HG3 LYS A 57 5.118 8.946 7.955 1.00 75.24 H new ATOM 0 HD2 LYS A 57 3.466 7.967 6.705 1.00 51.34 H new ATOM 0 HD3 LYS A 57 2.894 7.503 8.295 1.00 51.34 H new ATOM 0 HE2 LYS A 57 1.899 9.929 6.734 1.00 72.22 H new ATOM 0 HE3 LYS A 57 1.083 8.380 6.795 1.00 72.22 H new ATOM 0 HZ1 LYS A 57 0.073 9.810 8.347 1.00 60.33 H new ATOM 0 HZ2 LYS A 57 0.952 8.663 9.238 1.00 60.33 H new ATOM 0 HZ3 LYS A 57 1.559 10.238 9.048 1.00 60.33 H new ATOM 1030 N VAL A 58 4.197 6.264 10.788 1.00 55.31 N ATOM 1031 CA VAL A 58 3.878 4.862 10.535 1.00 42.03 C ATOM 1032 C VAL A 58 2.351 4.729 10.409 1.00 54.23 C ATOM 1033 O VAL A 58 1.621 5.189 11.287 1.00 21.21 O ATOM 1034 CB VAL A 58 4.359 3.930 11.690 1.00 0.10 C ATOM 1035 CG1 VAL A 58 3.969 2.449 11.494 1.00 44.04 C ATOM 1036 CG2 VAL A 58 5.881 4.027 11.908 1.00 42.14 C ATOM 0 H VAL A 58 3.611 6.676 11.514 1.00 55.31 H new ATOM 0 HA VAL A 58 4.390 4.558 9.622 1.00 42.03 H new ATOM 0 HB VAL A 58 3.838 4.295 12.575 1.00 0.10 H new ATOM 0 HG11 VAL A 58 4.337 1.862 12.335 1.00 44.04 H new ATOM 0 HG12 VAL A 58 2.884 2.363 11.438 1.00 44.04 H new ATOM 0 HG13 VAL A 58 4.411 2.076 10.570 1.00 44.04 H new ATOM 0 HG21 VAL A 58 6.175 3.363 12.721 1.00 42.14 H new ATOM 0 HG22 VAL A 58 6.399 3.734 10.995 1.00 42.14 H new ATOM 0 HG23 VAL A 58 6.147 5.053 12.163 1.00 42.14 H new ATOM 1046 N ILE A 59 1.917 4.072 9.327 1.00 41.03 N ATOM 1047 CA ILE A 59 0.535 3.674 9.059 1.00 34.25 C ATOM 1048 C ILE A 59 0.451 2.152 9.286 1.00 14.03 C ATOM 1049 O ILE A 59 1.416 1.453 8.974 1.00 51.40 O ATOM 1050 CB ILE A 59 0.177 3.934 7.559 1.00 23.52 C ATOM 1051 CG1 ILE A 59 0.392 5.408 7.135 1.00 33.02 C ATOM 1052 CG2 ILE A 59 -1.241 3.477 7.142 1.00 24.12 C ATOM 1053 CD1 ILE A 59 0.934 5.538 5.705 1.00 72.32 C ATOM 0 H ILE A 59 2.553 3.791 8.580 1.00 41.03 H new ATOM 0 HA ILE A 59 -0.142 4.236 9.702 1.00 34.25 H new ATOM 0 HB ILE A 59 0.885 3.302 7.023 1.00 23.52 H new ATOM 0 HG12 ILE A 59 -0.553 5.946 7.212 1.00 33.02 H new ATOM 0 HG13 ILE A 59 1.086 5.884 7.827 1.00 33.02 H new ATOM 0 HG21 ILE A 59 -1.399 3.698 6.086 1.00 24.12 H new ATOM 0 HG22 ILE A 59 -1.341 2.404 7.307 1.00 24.12 H new ATOM 0 HG23 ILE A 59 -1.984 4.007 7.738 1.00 24.12 H new ATOM 0 HD11 ILE A 59 1.066 6.592 5.460 1.00 72.32 H new ATOM 0 HD12 ILE A 59 1.893 5.026 5.632 1.00 72.32 H new ATOM 0 HD13 ILE A 59 0.228 5.089 5.006 1.00 72.32 H new ATOM 1065 N GLN A 60 -0.703 1.662 9.767 1.00 35.51 N ATOM 1066 CA GLN A 60 -1.052 0.237 9.748 1.00 42.05 C ATOM 1067 C GLN A 60 -2.512 0.042 9.326 1.00 42.53 C ATOM 1068 O GLN A 60 -3.370 0.824 9.733 1.00 43.10 O ATOM 1069 CB GLN A 60 -0.772 -0.451 11.103 1.00 21.23 C ATOM 1070 CG GLN A 60 0.712 -0.794 11.340 1.00 52.05 C ATOM 1071 CD GLN A 60 0.920 -1.748 12.520 1.00 73.31 C ATOM 1072 OE1 GLN A 60 1.592 -2.770 12.390 1.00 23.35 O ATOM 1073 NE2 GLN A 60 0.347 -1.425 13.681 1.00 13.55 N ATOM 0 H GLN A 60 -1.424 2.251 10.183 1.00 35.51 H new ATOM 0 HA GLN A 60 -0.410 -0.243 9.009 1.00 42.05 H new ATOM 0 HB2 GLN A 60 -1.116 0.200 11.907 1.00 21.23 H new ATOM 0 HB3 GLN A 60 -1.359 -1.367 11.161 1.00 21.23 H new ATOM 0 HG2 GLN A 60 1.125 -1.245 10.437 1.00 52.05 H new ATOM 0 HG3 GLN A 60 1.268 0.126 11.520 1.00 52.05 H new ATOM 0 HE21 GLN A 60 -0.204 -0.570 13.757 1.00 13.55 H new ATOM 0 HE22 GLN A 60 0.461 -2.033 14.492 1.00 13.55 H new ATOM 1082 N ASN A 61 -2.760 -1.013 8.530 1.00 23.42 N ATOM 1083 CA ASN A 61 -4.090 -1.415 8.060 1.00 41.34 C ATOM 1084 C ASN A 61 -4.295 -2.904 8.366 1.00 52.20 C ATOM 1085 O ASN A 61 -3.926 -3.745 7.547 1.00 25.44 O ATOM 1086 CB ASN A 61 -4.254 -1.162 6.534 1.00 25.31 C ATOM 1087 CG ASN A 61 -4.273 0.291 6.048 1.00 33.31 C ATOM 1088 OD1 ASN A 61 -4.225 0.534 4.845 1.00 52.35 O ATOM 1089 ND2 ASN A 61 -4.368 1.262 6.952 1.00 11.11 N ATOM 0 H ASN A 61 -2.018 -1.624 8.189 1.00 23.42 H new ATOM 0 HA ASN A 61 -4.839 -0.816 8.577 1.00 41.34 H new ATOM 0 HB2 ASN A 61 -3.442 -1.676 6.020 1.00 25.31 H new ATOM 0 HB3 ASN A 61 -5.183 -1.634 6.214 1.00 25.31 H new ATOM 0 HD21 ASN A 61 -4.403 2.236 6.652 1.00 11.11 H new ATOM 0 HD22 ASN A 61 -4.406 1.032 7.945 1.00 11.11 H new ATOM 1096 N GLU A 62 -4.936 -3.197 9.510 1.00 40.14 N ATOM 1097 CA GLU A 62 -5.575 -4.488 9.776 1.00 21.24 C ATOM 1098 C GLU A 62 -6.867 -4.589 8.942 1.00 44.03 C ATOM 1099 O GLU A 62 -7.682 -3.665 8.983 1.00 14.33 O ATOM 1100 CB GLU A 62 -5.928 -4.640 11.281 1.00 43.32 C ATOM 1101 CG GLU A 62 -4.861 -5.304 12.181 1.00 34.42 C ATOM 1102 CD GLU A 62 -3.663 -4.445 12.599 1.00 31.11 C ATOM 1103 OE1 GLU A 62 -2.823 -5.002 13.342 1.00 31.44 O ATOM 1104 OE2 GLU A 62 -3.579 -3.272 12.176 1.00 11.32 O1- ATOM 0 H GLU A 62 -5.024 -2.535 10.281 1.00 40.14 H new ATOM 0 HA GLU A 62 -4.879 -5.282 9.504 1.00 21.24 H new ATOM 0 HB2 GLU A 62 -6.142 -3.649 11.682 1.00 43.32 H new ATOM 0 HB3 GLU A 62 -6.847 -5.221 11.358 1.00 43.32 H new ATOM 0 HG2 GLU A 62 -5.355 -5.657 13.086 1.00 34.42 H new ATOM 0 HG3 GLU A 62 -4.481 -6.183 11.661 1.00 34.42 H new ATOM 1111 N PHE A 63 -7.051 -5.723 8.248 1.00 33.11 N ATOM 1112 CA PHE A 63 -8.291 -6.053 7.545 1.00 33.44 C ATOM 1113 C PHE A 63 -8.377 -7.556 7.269 1.00 12.32 C ATOM 1114 O PHE A 63 -7.372 -8.254 7.339 1.00 41.43 O ATOM 1115 CB PHE A 63 -8.464 -5.212 6.255 1.00 71.24 C ATOM 1116 CG PHE A 63 -7.457 -5.449 5.143 1.00 63.13 C ATOM 1117 CD1 PHE A 63 -6.289 -4.662 5.069 1.00 51.23 C ATOM 1118 CD2 PHE A 63 -7.608 -6.538 4.257 1.00 40.24 C ATOM 1119 CE1 PHE A 63 -5.346 -4.913 4.083 1.00 20.42 C ATOM 1120 CE2 PHE A 63 -6.649 -6.776 3.285 1.00 73.04 C ATOM 1121 CZ PHE A 63 -5.529 -5.960 3.189 1.00 52.40 C ATOM 0 H PHE A 63 -6.332 -6.442 8.161 1.00 33.11 H new ATOM 0 HA PHE A 63 -9.124 -5.791 8.197 1.00 33.44 H new ATOM 0 HB2 PHE A 63 -9.461 -5.402 5.857 1.00 71.24 H new ATOM 0 HB3 PHE A 63 -8.426 -4.158 6.529 1.00 71.24 H new ATOM 0 HD1 PHE A 63 -6.129 -3.864 5.779 1.00 51.23 H new ATOM 0 HD2 PHE A 63 -8.469 -7.185 4.337 1.00 40.24 H new ATOM 0 HE1 PHE A 63 -4.466 -4.292 4.010 1.00 20.42 H new ATOM 0 HE2 PHE A 63 -6.773 -7.600 2.598 1.00 73.04 H new ATOM 0 HZ PHE A 63 -4.797 -6.141 2.416 1.00 52.40 H new ATOM 1131 N THR A 64 -9.583 -8.016 6.915 1.00 34.14 N ATOM 1132 CA THR A 64 -9.855 -9.389 6.505 1.00 3.13 C ATOM 1133 C THR A 64 -10.637 -9.355 5.184 1.00 74.33 C ATOM 1134 O THR A 64 -11.586 -8.578 5.067 1.00 14.33 O ATOM 1135 CB THR A 64 -10.693 -10.137 7.573 1.00 62.34 C ATOM 1136 OG1 THR A 64 -10.029 -10.116 8.822 1.00 32.13 O ATOM 1137 CG2 THR A 64 -10.978 -11.609 7.245 1.00 71.51 C ATOM 0 H THR A 64 -10.414 -7.425 6.907 1.00 34.14 H new ATOM 0 HA THR A 64 -8.909 -9.916 6.385 1.00 3.13 H new ATOM 0 HB THR A 64 -11.644 -9.605 7.596 1.00 62.34 H new ATOM 0 HG1 THR A 64 -10.569 -10.590 9.488 1.00 32.13 H new ATOM 0 HG21 THR A 64 -11.569 -12.052 8.046 1.00 71.51 H new ATOM 0 HG22 THR A 64 -11.531 -11.672 6.308 1.00 71.51 H new ATOM 0 HG23 THR A 64 -10.036 -12.149 7.147 1.00 71.51 H new ATOM 1145 N VAL A 65 -10.215 -10.175 4.205 1.00 1.44 N ATOM 1146 CA VAL A 65 -10.831 -10.220 2.877 1.00 54.10 C ATOM 1147 C VAL A 65 -12.237 -10.855 2.915 1.00 54.34 C ATOM 1148 O VAL A 65 -12.440 -11.867 3.588 1.00 74.41 O ATOM 1149 CB VAL A 65 -9.951 -10.958 1.829 1.00 62.42 C ATOM 1150 CG1 VAL A 65 -8.638 -10.197 1.584 1.00 54.54 C ATOM 1151 CG2 VAL A 65 -9.687 -12.452 2.112 1.00 44.43 C ATOM 0 H VAL A 65 -9.436 -10.824 4.318 1.00 1.44 H new ATOM 0 HA VAL A 65 -10.923 -9.180 2.564 1.00 54.10 H new ATOM 0 HB VAL A 65 -10.550 -10.960 0.918 1.00 62.42 H new ATOM 0 HG11 VAL A 65 -8.039 -10.732 0.847 1.00 54.54 H new ATOM 0 HG12 VAL A 65 -8.861 -9.197 1.213 1.00 54.54 H new ATOM 0 HG13 VAL A 65 -8.082 -10.121 2.518 1.00 54.54 H new ATOM 0 HG21 VAL A 65 -9.064 -12.868 1.320 1.00 44.43 H new ATOM 0 HG22 VAL A 65 -9.175 -12.556 3.069 1.00 44.43 H new ATOM 0 HG23 VAL A 65 -10.635 -12.989 2.147 1.00 44.43 H new ATOM 1161 N GLY A 66 -13.178 -10.211 2.211 1.00 74.31 N ATOM 1162 CA GLY A 66 -14.597 -10.566 2.189 1.00 2.14 C ATOM 1163 C GLY A 66 -15.365 -10.048 3.421 1.00 14.12 C ATOM 1164 O GLY A 66 -16.529 -10.414 3.581 1.00 1.40 O ATOM 0 H GLY A 66 -12.962 -9.405 1.625 1.00 74.31 H new ATOM 0 HA2 GLY A 66 -15.054 -10.161 1.286 1.00 2.14 H new ATOM 0 HA3 GLY A 66 -14.694 -11.650 2.136 1.00 2.14 H new ATOM 1168 N GLU A 67 -14.738 -9.225 4.283 1.00 62.22 N ATOM 1169 CA GLU A 67 -15.315 -8.672 5.512 1.00 2.33 C ATOM 1170 C GLU A 67 -15.038 -7.162 5.585 1.00 4.41 C ATOM 1171 O GLU A 67 -13.998 -6.714 5.101 1.00 32.14 O ATOM 1172 CB GLU A 67 -14.696 -9.378 6.738 1.00 31.54 C ATOM 1173 CG GLU A 67 -14.888 -10.911 6.763 1.00 14.13 C ATOM 1174 CD GLU A 67 -14.272 -11.599 7.983 1.00 5.44 C ATOM 1175 OE1 GLU A 67 -13.885 -10.889 8.938 1.00 65.44 O ATOM 1176 OE2 GLU A 67 -14.175 -12.846 7.930 1.00 14.02 O1- ATOM 0 H GLU A 67 -13.777 -8.918 4.131 1.00 62.22 H new ATOM 0 HA GLU A 67 -16.393 -8.836 5.509 1.00 2.33 H new ATOM 0 HB2 GLU A 67 -13.629 -9.158 6.767 1.00 31.54 H new ATOM 0 HB3 GLU A 67 -15.133 -8.956 7.643 1.00 31.54 H new ATOM 0 HG2 GLU A 67 -15.955 -11.133 6.734 1.00 14.13 H new ATOM 0 HG3 GLU A 67 -14.450 -11.336 5.860 1.00 14.13 H new ATOM 1183 N GLU A 68 -15.961 -6.406 6.209 1.00 71.35 N ATOM 1184 CA GLU A 68 -15.825 -4.958 6.394 1.00 12.25 C ATOM 1185 C GLU A 68 -14.904 -4.638 7.582 1.00 3.41 C ATOM 1186 O GLU A 68 -15.120 -5.158 8.678 1.00 31.22 O ATOM 1187 CB GLU A 68 -17.214 -4.301 6.538 1.00 12.34 C ATOM 1188 CG GLU A 68 -17.146 -2.761 6.585 1.00 14.12 C ATOM 1189 CD GLU A 68 -18.530 -2.125 6.643 1.00 40.53 C ATOM 1190 OE1 GLU A 68 -19.116 -1.940 5.554 1.00 12.21 O ATOM 1191 OE2 GLU A 68 -18.970 -1.823 7.773 1.00 55.12 O1- ATOM 0 H GLU A 68 -16.823 -6.788 6.598 1.00 71.35 H new ATOM 0 HA GLU A 68 -15.354 -4.534 5.507 1.00 12.25 H new ATOM 0 HB2 GLU A 68 -17.844 -4.607 5.702 1.00 12.34 H new ATOM 0 HB3 GLU A 68 -17.691 -4.667 7.447 1.00 12.34 H new ATOM 0 HG2 GLU A 68 -16.569 -2.451 7.456 1.00 14.12 H new ATOM 0 HG3 GLU A 68 -16.617 -2.395 5.705 1.00 14.12 H new ATOM 1198 N CYS A 69 -13.891 -3.796 7.324 1.00 35.11 N ATOM 1199 CA CYS A 69 -12.816 -3.448 8.255 1.00 24.14 C ATOM 1200 C CYS A 69 -12.443 -1.968 8.069 1.00 1.24 C ATOM 1201 O CYS A 69 -12.531 -1.454 6.953 1.00 23.03 O ATOM 1202 CB CYS A 69 -11.568 -4.320 8.004 1.00 31.21 C ATOM 1203 SG CYS A 69 -11.887 -6.062 8.415 1.00 73.13 S ATOM 0 H CYS A 69 -13.798 -3.323 6.425 1.00 35.11 H new ATOM 0 HA CYS A 69 -13.167 -3.625 9.272 1.00 24.14 H new ATOM 0 HB2 CYS A 69 -11.269 -4.239 6.959 1.00 31.21 H new ATOM 0 HB3 CYS A 69 -10.736 -3.949 8.603 1.00 31.21 H new ATOM 0 HG CYS A 69 -10.939 -6.507 9.185 1.00 73.13 H new ATOM 1209 N GLU A 70 -11.998 -1.312 9.157 1.00 32.42 N ATOM 1210 CA GLU A 70 -11.526 0.074 9.120 1.00 52.30 C ATOM 1211 C GLU A 70 -10.075 0.169 8.623 1.00 74.34 C ATOM 1212 O GLU A 70 -9.161 -0.265 9.326 1.00 25.25 O ATOM 1213 CB GLU A 70 -11.683 0.755 10.493 1.00 50.13 C ATOM 1214 CG GLU A 70 -13.151 1.032 10.858 1.00 14.35 C ATOM 1215 CD GLU A 70 -13.339 1.727 12.209 1.00 23.31 C ATOM 1216 OE1 GLU A 70 -14.451 1.569 12.757 1.00 55.42 O ATOM 1217 OE2 GLU A 70 -12.389 2.399 12.670 1.00 61.02 O1- ATOM 0 H GLU A 70 -11.958 -1.734 10.085 1.00 32.42 H new ATOM 0 HA GLU A 70 -12.153 0.607 8.405 1.00 52.30 H new ATOM 0 HB2 GLU A 70 -11.236 0.123 11.260 1.00 50.13 H new ATOM 0 HB3 GLU A 70 -11.130 1.694 10.493 1.00 50.13 H new ATOM 0 HG2 GLU A 70 -13.598 1.649 10.079 1.00 14.35 H new ATOM 0 HG3 GLU A 70 -13.696 0.088 10.868 1.00 14.35 H new ATOM 1224 N LEU A 71 -9.904 0.783 7.442 1.00 24.32 N ATOM 1225 CA LEU A 71 -8.610 1.154 6.876 1.00 60.35 C ATOM 1226 C LEU A 71 -8.255 2.565 7.358 1.00 15.41 C ATOM 1227 O LEU A 71 -9.020 3.500 7.110 1.00 44.21 O ATOM 1228 CB LEU A 71 -8.670 1.109 5.327 1.00 65.33 C ATOM 1229 CG LEU A 71 -8.216 -0.234 4.720 1.00 22.45 C ATOM 1230 CD1 LEU A 71 -9.094 -1.426 5.144 1.00 60.14 C ATOM 1231 CD2 LEU A 71 -8.112 -0.135 3.191 1.00 4.32 C ATOM 0 H LEU A 71 -10.688 1.040 6.842 1.00 24.32 H new ATOM 0 HA LEU A 71 -7.845 0.450 7.204 1.00 60.35 H new ATOM 0 HB2 LEU A 71 -9.692 1.313 5.007 1.00 65.33 H new ATOM 0 HB3 LEU A 71 -8.045 1.907 4.926 1.00 65.33 H new ATOM 0 HG LEU A 71 -7.225 -0.435 5.126 1.00 22.45 H new ATOM 0 HD11 LEU A 71 -8.718 -2.338 4.681 1.00 60.14 H new ATOM 0 HD12 LEU A 71 -9.065 -1.531 6.229 1.00 60.14 H new ATOM 0 HD13 LEU A 71 -10.121 -1.253 4.823 1.00 60.14 H new ATOM 0 HD21 LEU A 71 -7.790 -1.094 2.785 1.00 4.32 H new ATOM 0 HD22 LEU A 71 -9.086 0.126 2.776 1.00 4.32 H new ATOM 0 HD23 LEU A 71 -7.386 0.633 2.925 1.00 4.32 H new ATOM 1243 N GLU A 72 -7.078 2.689 7.994 1.00 40.11 N ATOM 1244 CA GLU A 72 -6.467 3.970 8.332 1.00 5.22 C ATOM 1245 C GLU A 72 -5.824 4.588 7.078 1.00 54.31 C ATOM 1246 O GLU A 72 -5.043 3.927 6.395 1.00 55.05 O ATOM 1247 CB GLU A 72 -5.442 3.784 9.472 1.00 30.20 C ATOM 1248 CG GLU A 72 -4.779 5.099 9.940 1.00 61.31 C ATOM 1249 CD GLU A 72 -3.688 4.883 10.987 1.00 64.43 C ATOM 1250 OE1 GLU A 72 -2.614 5.502 10.818 1.00 32.23 O ATOM 1251 OE2 GLU A 72 -3.940 4.111 11.937 1.00 12.31 O1- ATOM 0 H GLU A 72 -6.522 1.886 8.289 1.00 40.11 H new ATOM 0 HA GLU A 72 -7.233 4.659 8.688 1.00 5.22 H new ATOM 0 HB2 GLU A 72 -5.940 3.317 10.322 1.00 30.20 H new ATOM 0 HB3 GLU A 72 -4.665 3.095 9.140 1.00 30.20 H new ATOM 0 HG2 GLU A 72 -4.350 5.609 9.078 1.00 61.31 H new ATOM 0 HG3 GLU A 72 -5.544 5.757 10.352 1.00 61.31 H new ATOM 1258 N THR A 73 -6.145 5.858 6.815 1.00 14.12 N ATOM 1259 CA THR A 73 -5.588 6.634 5.712 1.00 13.34 C ATOM 1260 C THR A 73 -4.339 7.413 6.178 1.00 65.20 C ATOM 1261 O THR A 73 -4.108 7.549 7.379 1.00 23.23 O ATOM 1262 CB THR A 73 -6.664 7.592 5.127 1.00 62.31 C ATOM 1263 OG1 THR A 73 -6.808 8.810 5.834 1.00 65.12 O ATOM 1264 CG2 THR A 73 -8.041 6.916 4.972 1.00 60.04 C ATOM 0 H THR A 73 -6.814 6.383 7.377 1.00 14.12 H new ATOM 0 HA THR A 73 -5.281 5.950 4.921 1.00 13.34 H new ATOM 0 HB THR A 73 -6.278 7.840 4.138 1.00 62.31 H new ATOM 0 HG1 THR A 73 -6.933 9.545 5.198 1.00 65.12 H new ATOM 0 HG21 THR A 73 -8.753 7.631 4.560 1.00 60.04 H new ATOM 0 HG22 THR A 73 -7.954 6.062 4.300 1.00 60.04 H new ATOM 0 HG23 THR A 73 -8.391 6.576 5.947 1.00 60.04 H new ATOM 1272 N MET A 74 -3.549 7.904 5.209 1.00 72.21 N ATOM 1273 CA MET A 74 -2.280 8.615 5.422 1.00 42.23 C ATOM 1274 C MET A 74 -2.370 9.887 6.292 1.00 45.20 C ATOM 1275 O MET A 74 -1.405 10.186 6.997 1.00 11.12 O ATOM 1276 CB MET A 74 -1.667 8.929 4.046 1.00 54.15 C ATOM 1277 CG MET A 74 -1.038 7.712 3.360 1.00 21.54 C ATOM 1278 SD MET A 74 -0.530 8.023 1.652 1.00 51.13 S ATOM 1279 CE MET A 74 0.815 6.819 1.490 1.00 13.43 C ATOM 0 H MET A 74 -3.786 7.813 4.221 1.00 72.21 H new ATOM 0 HA MET A 74 -1.641 7.950 6.003 1.00 42.23 H new ATOM 0 HB2 MET A 74 -2.441 9.340 3.398 1.00 54.15 H new ATOM 0 HB3 MET A 74 -0.907 9.701 4.164 1.00 54.15 H new ATOM 0 HG2 MET A 74 -0.170 7.390 3.935 1.00 21.54 H new ATOM 0 HG3 MET A 74 -1.752 6.889 3.373 1.00 21.54 H new ATOM 0 HE1 MET A 74 1.240 6.881 0.488 1.00 13.43 H new ATOM 0 HE2 MET A 74 1.589 7.037 2.226 1.00 13.43 H new ATOM 0 HE3 MET A 74 0.426 5.815 1.658 1.00 13.43 H new ATOM 1289 N THR A 75 -3.517 10.587 6.261 1.00 42.35 N ATOM 1290 CA THR A 75 -3.824 11.741 7.117 1.00 12.24 C ATOM 1291 C THR A 75 -4.225 11.369 8.565 1.00 50.13 C ATOM 1292 O THR A 75 -4.346 12.276 9.387 1.00 10.31 O ATOM 1293 CB THR A 75 -4.988 12.577 6.521 1.00 54.03 C ATOM 1294 OG1 THR A 75 -6.201 11.845 6.462 1.00 22.32 O ATOM 1295 CG2 THR A 75 -4.688 13.154 5.134 1.00 32.15 C ATOM 0 H THR A 75 -4.277 10.357 5.620 1.00 42.35 H new ATOM 0 HA THR A 75 -2.894 12.308 7.153 1.00 12.24 H new ATOM 0 HB THR A 75 -5.099 13.411 7.214 1.00 54.03 H new ATOM 0 HG1 THR A 75 -6.906 12.410 6.082 1.00 22.32 H new ATOM 0 HG21 THR A 75 -5.548 13.725 4.784 1.00 32.15 H new ATOM 0 HG22 THR A 75 -3.818 13.807 5.192 1.00 32.15 H new ATOM 0 HG23 THR A 75 -4.485 12.340 4.438 1.00 32.15 H new ATOM 1303 N GLY A 76 -4.428 10.074 8.862 1.00 72.11 N ATOM 1304 CA GLY A 76 -4.845 9.596 10.180 1.00 42.54 C ATOM 1305 C GLY A 76 -6.374 9.541 10.322 1.00 52.34 C ATOM 1306 O GLY A 76 -6.860 9.428 11.445 1.00 50.44 O ATOM 0 H GLY A 76 -4.304 9.325 8.181 1.00 72.11 H new ATOM 0 HA2 GLY A 76 -4.430 8.603 10.352 1.00 42.54 H new ATOM 0 HA3 GLY A 76 -4.434 10.251 10.949 1.00 42.54 H new ATOM 1310 N GLU A 77 -7.128 9.600 9.207 1.00 21.31 N ATOM 1311 CA GLU A 77 -8.562 9.294 9.159 1.00 22.12 C ATOM 1312 C GLU A 77 -8.775 7.770 9.123 1.00 21.20 C ATOM 1313 O GLU A 77 -7.856 7.042 8.756 1.00 41.31 O ATOM 1314 CB GLU A 77 -9.191 9.981 7.916 1.00 15.43 C ATOM 1315 CG GLU A 77 -10.144 11.143 8.252 1.00 15.44 C ATOM 1316 CD GLU A 77 -11.378 10.686 9.029 1.00 51.14 C ATOM 1317 OE1 GLU A 77 -12.217 9.999 8.406 1.00 5.31 O ATOM 1318 OE2 GLU A 77 -11.447 11.013 10.233 1.00 25.15 O1- ATOM 0 H GLU A 77 -6.745 9.867 8.300 1.00 21.31 H new ATOM 0 HA GLU A 77 -9.053 9.678 10.053 1.00 22.12 H new ATOM 0 HB2 GLU A 77 -8.391 10.355 7.278 1.00 15.43 H new ATOM 0 HB3 GLU A 77 -9.736 9.234 7.339 1.00 15.43 H new ATOM 0 HG2 GLU A 77 -9.608 11.890 8.837 1.00 15.44 H new ATOM 0 HG3 GLU A 77 -10.460 11.627 7.328 1.00 15.44 H new ATOM 1325 N LYS A 78 -9.986 7.319 9.485 1.00 55.25 N ATOM 1326 CA LYS A 78 -10.380 5.909 9.430 1.00 3.40 C ATOM 1327 C LYS A 78 -11.751 5.791 8.759 1.00 71.00 C ATOM 1328 O LYS A 78 -12.646 6.574 9.077 1.00 4.24 O ATOM 1329 CB LYS A 78 -10.436 5.305 10.848 1.00 55.15 C ATOM 1330 CG LYS A 78 -9.087 5.276 11.591 1.00 73.24 C ATOM 1331 CD LYS A 78 -9.155 4.420 12.864 1.00 1.34 C ATOM 1332 CE LYS A 78 -8.993 2.917 12.581 1.00 24.13 C ATOM 1333 NZ LYS A 78 -9.642 2.100 13.619 1.00 73.22 N1+ ATOM 0 H LYS A 78 -10.725 7.933 9.828 1.00 55.25 H new ATOM 0 HA LYS A 78 -9.640 5.357 8.851 1.00 3.40 H new ATOM 0 HB2 LYS A 78 -11.150 5.875 11.443 1.00 55.15 H new ATOM 0 HB3 LYS A 78 -10.819 4.287 10.779 1.00 55.15 H new ATOM 0 HG2 LYS A 78 -8.316 4.882 10.929 1.00 73.24 H new ATOM 0 HG3 LYS A 78 -8.794 6.293 11.852 1.00 73.24 H new ATOM 0 HD2 LYS A 78 -8.375 4.741 13.554 1.00 1.34 H new ATOM 0 HD3 LYS A 78 -10.110 4.591 13.361 1.00 1.34 H new ATOM 0 HE2 LYS A 78 -9.424 2.680 11.608 1.00 24.13 H new ATOM 0 HE3 LYS A 78 -7.933 2.667 12.530 1.00 24.13 H new ATOM 0 HZ1 LYS A 78 -9.258 1.134 13.591 1.00 73.22 H new ATOM 0 HZ2 LYS A 78 -9.460 2.518 14.554 1.00 73.22 H new ATOM 0 HZ3 LYS A 78 -10.667 2.070 13.447 1.00 73.22 H new ATOM 1347 N VAL A 79 -11.899 4.792 7.874 1.00 1.35 N ATOM 1348 CA VAL A 79 -13.147 4.509 7.164 1.00 52.00 C ATOM 1349 C VAL A 79 -13.334 3.000 6.938 1.00 21.12 C ATOM 1350 O VAL A 79 -12.386 2.299 6.583 1.00 51.44 O ATOM 1351 CB VAL A 79 -13.238 5.232 5.788 1.00 52.22 C ATOM 1352 CG1 VAL A 79 -13.451 6.747 5.941 1.00 21.11 C ATOM 1353 CG2 VAL A 79 -12.068 4.939 4.828 1.00 11.12 C ATOM 0 H VAL A 79 -11.142 4.152 7.632 1.00 1.35 H new ATOM 0 HA VAL A 79 -13.940 4.891 7.807 1.00 52.00 H new ATOM 0 HB VAL A 79 -14.122 4.801 5.318 1.00 52.22 H new ATOM 0 HG11 VAL A 79 -13.508 7.208 4.955 1.00 21.11 H new ATOM 0 HG12 VAL A 79 -14.379 6.931 6.482 1.00 21.11 H new ATOM 0 HG13 VAL A 79 -12.617 7.178 6.495 1.00 21.11 H new ATOM 0 HG21 VAL A 79 -12.216 5.485 3.896 1.00 11.12 H new ATOM 0 HG22 VAL A 79 -11.132 5.255 5.288 1.00 11.12 H new ATOM 0 HG23 VAL A 79 -12.027 3.870 4.620 1.00 11.12 H new ATOM 1363 N LYS A 80 -14.583 2.552 7.143 1.00 53.10 N ATOM 1364 CA LYS A 80 -15.049 1.179 6.959 1.00 4.31 C ATOM 1365 C LYS A 80 -15.162 0.824 5.468 1.00 51.25 C ATOM 1366 O LYS A 80 -15.713 1.614 4.700 1.00 64.23 O ATOM 1367 CB LYS A 80 -16.417 1.033 7.654 1.00 10.51 C ATOM 1368 CG LYS A 80 -16.354 1.175 9.184 1.00 11.33 C ATOM 1369 CD LYS A 80 -17.740 1.109 9.841 1.00 15.03 C ATOM 1370 CE LYS A 80 -17.708 1.284 11.366 1.00 54.32 C ATOM 1371 NZ LYS A 80 -17.028 0.163 12.038 1.00 45.32 N1+ ATOM 0 H LYS A 80 -15.328 3.173 7.457 1.00 53.10 H new ATOM 0 HA LYS A 80 -14.328 0.490 7.400 1.00 4.31 H new ATOM 0 HB2 LYS A 80 -17.098 1.785 7.256 1.00 10.51 H new ATOM 0 HB3 LYS A 80 -16.838 0.059 7.406 1.00 10.51 H new ATOM 0 HG2 LYS A 80 -15.724 0.385 9.593 1.00 11.33 H new ATOM 0 HG3 LYS A 80 -15.880 2.123 9.438 1.00 11.33 H new ATOM 0 HD2 LYS A 80 -18.375 1.882 9.408 1.00 15.03 H new ATOM 0 HD3 LYS A 80 -18.200 0.150 9.604 1.00 15.03 H new ATOM 0 HE2 LYS A 80 -17.200 2.216 11.613 1.00 54.32 H new ATOM 0 HE3 LYS A 80 -18.728 1.367 11.742 1.00 54.32 H new ATOM 0 HZ1 LYS A 80 -17.586 -0.138 12.862 1.00 45.32 H new ATOM 0 HZ2 LYS A 80 -16.933 -0.633 11.375 1.00 45.32 H new ATOM 0 HZ3 LYS A 80 -16.084 0.467 12.352 1.00 45.32 H new ATOM 1385 N THR A 81 -14.654 -0.362 5.095 1.00 62.20 N ATOM 1386 CA THR A 81 -14.636 -0.849 3.716 1.00 53.21 C ATOM 1387 C THR A 81 -14.316 -2.357 3.662 1.00 74.41 C ATOM 1388 O THR A 81 -13.614 -2.866 4.535 1.00 1.11 O ATOM 1389 CB THR A 81 -13.606 -0.068 2.848 1.00 31.43 C ATOM 1390 OG1 THR A 81 -13.627 -0.525 1.508 1.00 61.52 O ATOM 1391 CG2 THR A 81 -12.146 -0.162 3.341 1.00 11.41 C ATOM 0 H THR A 81 -14.239 -1.016 5.758 1.00 62.20 H new ATOM 0 HA THR A 81 -15.633 -0.683 3.308 1.00 53.21 H new ATOM 0 HB THR A 81 -13.922 0.972 2.930 1.00 31.43 H new ATOM 0 HG1 THR A 81 -13.141 0.108 0.939 1.00 61.52 H new ATOM 0 HG21 THR A 81 -11.500 0.412 2.676 1.00 11.41 H new ATOM 0 HG22 THR A 81 -12.077 0.241 4.351 1.00 11.41 H new ATOM 0 HG23 THR A 81 -11.829 -1.205 3.344 1.00 11.41 H new ATOM 1399 N VAL A 82 -14.826 -3.029 2.617 1.00 54.21 N ATOM 1400 CA VAL A 82 -14.580 -4.443 2.344 1.00 2.52 C ATOM 1401 C VAL A 82 -13.470 -4.572 1.284 1.00 71.31 C ATOM 1402 O VAL A 82 -13.629 -4.070 0.170 1.00 45.34 O ATOM 1403 CB VAL A 82 -15.861 -5.145 1.804 1.00 3.10 C ATOM 1404 CG1 VAL A 82 -15.640 -6.633 1.458 1.00 13.34 C ATOM 1405 CG2 VAL A 82 -17.039 -5.029 2.786 1.00 41.33 C ATOM 0 H VAL A 82 -15.434 -2.589 1.926 1.00 54.21 H new ATOM 0 HA VAL A 82 -14.282 -4.920 3.278 1.00 2.52 H new ATOM 0 HB VAL A 82 -16.103 -4.615 0.883 1.00 3.10 H new ATOM 0 HG11 VAL A 82 -16.571 -7.063 1.088 1.00 13.34 H new ATOM 0 HG12 VAL A 82 -14.871 -6.718 0.691 1.00 13.34 H new ATOM 0 HG13 VAL A 82 -15.322 -7.171 2.351 1.00 13.34 H new ATOM 0 HG21 VAL A 82 -17.911 -5.532 2.369 1.00 41.33 H new ATOM 0 HG22 VAL A 82 -16.770 -5.495 3.734 1.00 41.33 H new ATOM 0 HG23 VAL A 82 -17.272 -3.977 2.952 1.00 41.33 H new ATOM 1415 N VAL A 83 -12.390 -5.282 1.646 1.00 50.33 N ATOM 1416 CA VAL A 83 -11.320 -5.670 0.725 1.00 1.45 C ATOM 1417 C VAL A 83 -11.662 -7.044 0.115 1.00 42.54 C ATOM 1418 O VAL A 83 -12.255 -7.876 0.799 1.00 75.24 O ATOM 1419 CB VAL A 83 -9.947 -5.793 1.453 1.00 14.31 C ATOM 1420 CG1 VAL A 83 -8.770 -6.075 0.489 1.00 11.14 C ATOM 1421 CG2 VAL A 83 -9.640 -4.551 2.315 1.00 54.42 C ATOM 0 H VAL A 83 -12.237 -5.605 2.601 1.00 50.33 H new ATOM 0 HA VAL A 83 -11.241 -4.899 -0.041 1.00 1.45 H new ATOM 0 HB VAL A 83 -10.044 -6.659 2.108 1.00 14.31 H new ATOM 0 HG11 VAL A 83 -7.843 -6.149 1.058 1.00 11.14 H new ATOM 0 HG12 VAL A 83 -8.948 -7.012 -0.038 1.00 11.14 H new ATOM 0 HG13 VAL A 83 -8.688 -5.262 -0.233 1.00 11.14 H new ATOM 0 HG21 VAL A 83 -8.675 -4.678 2.805 1.00 54.42 H new ATOM 0 HG22 VAL A 83 -9.611 -3.665 1.680 1.00 54.42 H new ATOM 0 HG23 VAL A 83 -10.417 -4.431 3.070 1.00 54.42 H new ATOM 1431 N GLN A 84 -11.272 -7.262 -1.151 1.00 2.21 N ATOM 1432 CA GLN A 84 -11.397 -8.543 -1.850 1.00 63.42 C ATOM 1433 C GLN A 84 -10.024 -8.973 -2.380 1.00 34.52 C ATOM 1434 O GLN A 84 -9.179 -8.113 -2.626 1.00 4.42 O ATOM 1435 CB GLN A 84 -12.399 -8.395 -3.021 1.00 11.40 C ATOM 1436 CG GLN A 84 -13.844 -8.010 -2.629 1.00 5.34 C ATOM 1437 CD GLN A 84 -14.580 -9.031 -1.751 1.00 72.33 C ATOM 1438 OE1 GLN A 84 -14.107 -10.139 -1.505 1.00 52.13 O ATOM 1439 NE2 GLN A 84 -15.775 -8.659 -1.289 1.00 15.21 N ATOM 0 H GLN A 84 -10.852 -6.533 -1.727 1.00 2.21 H new ATOM 0 HA GLN A 84 -11.765 -9.303 -1.161 1.00 63.42 H new ATOM 0 HB2 GLN A 84 -12.016 -7.640 -3.708 1.00 11.40 H new ATOM 0 HB3 GLN A 84 -12.430 -9.337 -3.568 1.00 11.40 H new ATOM 0 HG2 GLN A 84 -13.818 -7.055 -2.103 1.00 5.34 H new ATOM 0 HG3 GLN A 84 -14.421 -7.856 -3.541 1.00 5.34 H new ATOM 0 HE21 GLN A 84 -16.141 -7.733 -1.510 1.00 15.21 H new ATOM 0 HE22 GLN A 84 -16.322 -9.301 -0.715 1.00 15.21 H new ATOM 1448 N LEU A 85 -9.845 -10.291 -2.571 1.00 73.01 N ATOM 1449 CA LEU A 85 -8.650 -10.881 -3.173 1.00 3.11 C ATOM 1450 C LEU A 85 -9.054 -11.705 -4.400 1.00 44.15 C ATOM 1451 O LEU A 85 -9.885 -12.605 -4.291 1.00 14.14 O ATOM 1452 CB LEU A 85 -7.865 -11.696 -2.119 1.00 74.15 C ATOM 1453 CG LEU A 85 -6.552 -12.359 -2.624 1.00 63.33 C ATOM 1454 CD1 LEU A 85 -5.393 -12.223 -1.616 1.00 45.24 C ATOM 1455 CD2 LEU A 85 -6.762 -13.838 -3.013 1.00 63.34 C ATOM 0 H LEU A 85 -10.544 -10.985 -2.304 1.00 73.01 H new ATOM 0 HA LEU A 85 -7.973 -10.100 -3.518 1.00 3.11 H new ATOM 0 HB2 LEU A 85 -7.621 -11.038 -1.285 1.00 74.15 H new ATOM 0 HB3 LEU A 85 -8.518 -12.476 -1.729 1.00 74.15 H new ATOM 0 HG LEU A 85 -6.269 -11.810 -3.522 1.00 63.33 H new ATOM 0 HD11 LEU A 85 -4.502 -12.703 -2.020 1.00 45.24 H new ATOM 0 HD12 LEU A 85 -5.187 -11.167 -1.438 1.00 45.24 H new ATOM 0 HD13 LEU A 85 -5.670 -12.702 -0.677 1.00 45.24 H new ATOM 0 HD21 LEU A 85 -5.819 -14.260 -3.360 1.00 63.34 H new ATOM 0 HD22 LEU A 85 -7.112 -14.396 -2.145 1.00 63.34 H new ATOM 0 HD23 LEU A 85 -7.503 -13.903 -3.809 1.00 63.34 H new ATOM 1467 N GLU A 86 -8.415 -11.380 -5.533 1.00 34.23 N ATOM 1468 CA GLU A 86 -8.529 -12.078 -6.810 1.00 41.11 C ATOM 1469 C GLU A 86 -7.461 -13.183 -6.875 1.00 1.21 C ATOM 1470 O GLU A 86 -6.422 -13.072 -6.220 1.00 11.02 O ATOM 1471 CB GLU A 86 -8.333 -11.066 -7.969 1.00 33.43 C ATOM 1472 CG GLU A 86 -9.035 -9.695 -7.815 1.00 24.04 C ATOM 1473 CD GLU A 86 -10.535 -9.770 -7.514 1.00 60.22 C ATOM 1474 OE1 GLU A 86 -11.215 -10.599 -8.158 1.00 65.14 O ATOM 1475 OE2 GLU A 86 -10.974 -8.992 -6.638 1.00 55.51 O1- ATOM 0 H GLU A 86 -7.777 -10.586 -5.580 1.00 34.23 H new ATOM 0 HA GLU A 86 -9.516 -12.531 -6.904 1.00 41.11 H new ATOM 0 HB2 GLU A 86 -7.264 -10.890 -8.091 1.00 33.43 H new ATOM 0 HB3 GLU A 86 -8.687 -11.529 -8.890 1.00 33.43 H new ATOM 0 HG2 GLU A 86 -8.546 -9.140 -7.014 1.00 24.04 H new ATOM 0 HG3 GLU A 86 -8.891 -9.124 -8.732 1.00 24.04 H new ATOM 1482 N GLY A 87 -7.715 -14.211 -7.701 1.00 21.24 N ATOM 1483 CA GLY A 87 -6.853 -15.392 -7.867 1.00 74.23 C ATOM 1484 C GLY A 87 -5.512 -15.120 -8.579 1.00 62.21 C ATOM 1485 O GLY A 87 -4.767 -16.068 -8.820 1.00 1.23 O ATOM 0 H GLY A 87 -8.549 -14.244 -8.288 1.00 21.24 H new ATOM 0 HA2 GLY A 87 -6.647 -15.815 -6.884 1.00 74.23 H new ATOM 0 HA3 GLY A 87 -7.401 -16.148 -8.430 1.00 74.23 H new ATOM 1489 N ASP A 88 -5.210 -13.853 -8.914 1.00 51.20 N ATOM 1490 CA ASP A 88 -4.029 -13.397 -9.654 1.00 31.33 C ATOM 1491 C ASP A 88 -3.021 -12.656 -8.751 1.00 53.45 C ATOM 1492 O ASP A 88 -2.259 -11.833 -9.260 1.00 63.51 O ATOM 1493 CB ASP A 88 -4.417 -12.527 -10.879 1.00 70.11 C ATOM 1494 CG ASP A 88 -5.501 -13.121 -11.785 1.00 60.23 C ATOM 1495 OD1 ASP A 88 -6.244 -12.307 -12.374 1.00 61.01 O ATOM 1496 OD2 ASP A 88 -5.512 -14.361 -11.949 1.00 44.22 O1- ATOM 0 H ASP A 88 -5.822 -13.078 -8.659 1.00 51.20 H new ATOM 0 HA ASP A 88 -3.534 -14.295 -10.024 1.00 31.33 H new ATOM 0 HB2 ASP A 88 -4.758 -11.555 -10.521 1.00 70.11 H new ATOM 0 HB3 ASP A 88 -3.523 -12.351 -11.477 1.00 70.11 H new ATOM 1501 N ASN A 89 -3.001 -12.977 -7.441 1.00 44.15 N ATOM 1502 CA ASN A 89 -2.102 -12.420 -6.411 1.00 32.45 C ATOM 1503 C ASN A 89 -2.460 -10.964 -6.027 1.00 53.43 C ATOM 1504 O ASN A 89 -1.561 -10.202 -5.665 1.00 3.32 O ATOM 1505 CB ASN A 89 -0.587 -12.496 -6.790 1.00 21.54 C ATOM 1506 CG ASN A 89 -0.073 -13.756 -7.492 1.00 25.31 C ATOM 1507 OD1 ASN A 89 -0.627 -14.843 -7.355 1.00 53.32 O ATOM 1508 ND2 ASN A 89 1.009 -13.604 -8.260 1.00 2.41 N ATOM 0 H ASN A 89 -3.645 -13.667 -7.054 1.00 44.15 H new ATOM 0 HA ASN A 89 -2.263 -13.063 -5.546 1.00 32.45 H new ATOM 0 HB2 ASN A 89 -0.362 -11.644 -7.431 1.00 21.54 H new ATOM 0 HB3 ASN A 89 -0.009 -12.367 -5.875 1.00 21.54 H new ATOM 0 HD21 ASN A 89 1.400 -14.406 -8.755 1.00 2.41 H new ATOM 0 HD22 ASN A 89 1.445 -12.686 -8.352 1.00 2.41 H new ATOM 1515 N LYS A 90 -3.744 -10.576 -6.171 1.00 32.00 N ATOM 1516 CA LYS A 90 -4.165 -9.171 -6.203 1.00 75.42 C ATOM 1517 C LYS A 90 -5.258 -8.863 -5.178 1.00 54.10 C ATOM 1518 O LYS A 90 -6.344 -9.424 -5.278 1.00 42.13 O ATOM 1519 CB LYS A 90 -4.612 -8.815 -7.640 1.00 23.24 C ATOM 1520 CG LYS A 90 -3.406 -8.699 -8.582 1.00 64.21 C ATOM 1521 CD LYS A 90 -3.722 -8.634 -10.080 1.00 11.12 C ATOM 1522 CE LYS A 90 -4.109 -7.234 -10.573 1.00 74.24 C ATOM 1523 NZ LYS A 90 -3.878 -7.119 -12.022 1.00 4.04 N1+ ATOM 0 H LYS A 90 -4.516 -11.235 -6.268 1.00 32.00 H new ATOM 0 HA LYS A 90 -3.316 -8.548 -5.922 1.00 75.42 H new ATOM 0 HB2 LYS A 90 -5.295 -9.579 -8.011 1.00 23.24 H new ATOM 0 HB3 LYS A 90 -5.162 -7.874 -7.630 1.00 23.24 H new ATOM 0 HG2 LYS A 90 -2.844 -7.805 -8.311 1.00 64.21 H new ATOM 0 HG3 LYS A 90 -2.751 -9.552 -8.407 1.00 64.21 H new ATOM 0 HD2 LYS A 90 -2.853 -8.978 -10.640 1.00 11.12 H new ATOM 0 HD3 LYS A 90 -4.537 -9.324 -10.300 1.00 11.12 H new ATOM 0 HE2 LYS A 90 -5.158 -7.039 -10.349 1.00 74.24 H new ATOM 0 HE3 LYS A 90 -3.525 -6.481 -10.044 1.00 74.24 H new ATOM 0 HZ1 LYS A 90 -4.424 -6.318 -12.398 1.00 4.04 H new ATOM 0 HZ2 LYS A 90 -2.866 -6.962 -12.201 1.00 4.04 H new ATOM 0 HZ3 LYS A 90 -4.181 -7.996 -12.492 1.00 4.04 H new ATOM 1537 N LEU A 91 -4.961 -7.926 -4.263 1.00 63.34 N ATOM 1538 CA LEU A 91 -5.922 -7.305 -3.346 1.00 44.30 C ATOM 1539 C LEU A 91 -6.507 -6.039 -3.995 1.00 43.45 C ATOM 1540 O LEU A 91 -5.763 -5.300 -4.640 1.00 4.52 O ATOM 1541 CB LEU A 91 -5.210 -6.928 -2.026 1.00 2.44 C ATOM 1542 CG LEU A 91 -4.832 -8.114 -1.111 1.00 15.32 C ATOM 1543 CD1 LEU A 91 -3.761 -7.720 -0.073 1.00 0.34 C ATOM 1544 CD2 LEU A 91 -6.070 -8.718 -0.423 1.00 64.04 C ATOM 0 H LEU A 91 -4.013 -7.570 -4.140 1.00 63.34 H new ATOM 0 HA LEU A 91 -6.727 -8.009 -3.134 1.00 44.30 H new ATOM 0 HB2 LEU A 91 -4.302 -6.375 -2.268 1.00 2.44 H new ATOM 0 HB3 LEU A 91 -5.855 -6.251 -1.466 1.00 2.44 H new ATOM 0 HG LEU A 91 -4.401 -8.882 -1.753 1.00 15.32 H new ATOM 0 HD11 LEU A 91 -3.524 -8.582 0.550 1.00 0.34 H new ATOM 0 HD12 LEU A 91 -2.860 -7.386 -0.588 1.00 0.34 H new ATOM 0 HD13 LEU A 91 -4.141 -6.913 0.554 1.00 0.34 H new ATOM 0 HD21 LEU A 91 -5.764 -9.549 0.212 1.00 64.04 H new ATOM 0 HD22 LEU A 91 -6.556 -7.956 0.186 1.00 64.04 H new ATOM 0 HD23 LEU A 91 -6.768 -9.077 -1.180 1.00 64.04 H new ATOM 1556 N VAL A 92 -7.813 -5.804 -3.790 1.00 1.53 N ATOM 1557 CA VAL A 92 -8.554 -4.657 -4.325 1.00 34.04 C ATOM 1558 C VAL A 92 -9.469 -4.080 -3.223 1.00 1.21 C ATOM 1559 O VAL A 92 -10.145 -4.848 -2.540 1.00 60.13 O ATOM 1560 CB VAL A 92 -9.438 -5.060 -5.545 1.00 62.55 C ATOM 1561 CG1 VAL A 92 -10.270 -3.892 -6.121 1.00 20.11 C ATOM 1562 CG2 VAL A 92 -8.608 -5.696 -6.679 1.00 51.23 C ATOM 0 H VAL A 92 -8.397 -6.426 -3.231 1.00 1.53 H new ATOM 0 HA VAL A 92 -7.826 -3.915 -4.654 1.00 34.04 H new ATOM 0 HB VAL A 92 -10.133 -5.798 -5.145 1.00 62.55 H new ATOM 0 HG11 VAL A 92 -10.859 -4.247 -6.966 1.00 20.11 H new ATOM 0 HG12 VAL A 92 -10.937 -3.506 -5.350 1.00 20.11 H new ATOM 0 HG13 VAL A 92 -9.601 -3.098 -6.453 1.00 20.11 H new ATOM 0 HG21 VAL A 92 -9.266 -5.960 -7.507 1.00 51.23 H new ATOM 0 HG22 VAL A 92 -7.858 -4.984 -7.024 1.00 51.23 H new ATOM 0 HG23 VAL A 92 -8.113 -6.593 -6.308 1.00 51.23 H new ATOM 1572 N THR A 93 -9.489 -2.741 -3.089 1.00 62.12 N ATOM 1573 CA THR A 93 -10.277 -2.007 -2.088 1.00 15.25 C ATOM 1574 C THR A 93 -10.459 -0.523 -2.493 1.00 24.45 C ATOM 1575 O THR A 93 -9.861 -0.076 -3.471 1.00 31.45 O ATOM 1576 CB THR A 93 -9.635 -2.132 -0.670 1.00 54.24 C ATOM 1577 OG1 THR A 93 -10.454 -1.569 0.339 1.00 74.54 O ATOM 1578 CG2 THR A 93 -8.247 -1.485 -0.522 1.00 53.44 C ATOM 0 H THR A 93 -8.942 -2.126 -3.691 1.00 62.12 H new ATOM 0 HA THR A 93 -11.268 -2.459 -2.047 1.00 15.25 H new ATOM 0 HB THR A 93 -9.530 -3.210 -0.551 1.00 54.24 H new ATOM 0 HG1 THR A 93 -9.953 -1.525 1.180 1.00 74.54 H new ATOM 0 HG21 THR A 93 -7.887 -1.625 0.497 1.00 53.44 H new ATOM 0 HG22 THR A 93 -7.552 -1.951 -1.220 1.00 53.44 H new ATOM 0 HG23 THR A 93 -8.318 -0.419 -0.738 1.00 53.44 H new ATOM 1586 N THR A 94 -11.300 0.208 -1.742 1.00 1.14 N ATOM 1587 CA THR A 94 -11.533 1.652 -1.854 1.00 54.14 C ATOM 1588 C THR A 94 -11.646 2.244 -0.432 1.00 52.11 C ATOM 1589 O THR A 94 -12.207 1.597 0.449 1.00 1.32 O ATOM 1590 CB THR A 94 -12.858 1.967 -2.608 1.00 44.02 C ATOM 1591 OG1 THR A 94 -13.971 1.317 -2.017 1.00 73.45 O ATOM 1592 CG2 THR A 94 -12.844 1.604 -4.101 1.00 1.00 C ATOM 0 H THR A 94 -11.862 -0.216 -1.004 1.00 1.14 H new ATOM 0 HA THR A 94 -10.702 2.085 -2.411 1.00 54.14 H new ATOM 0 HB THR A 94 -12.949 3.050 -2.523 1.00 44.02 H new ATOM 0 HG1 THR A 94 -14.784 1.540 -2.517 1.00 73.45 H new ATOM 0 HG21 THR A 94 -13.806 1.857 -4.546 1.00 1.00 H new ATOM 0 HG22 THR A 94 -12.054 2.162 -4.604 1.00 1.00 H new ATOM 0 HG23 THR A 94 -12.662 0.535 -4.214 1.00 1.00 H new ATOM 1600 N PHE A 95 -11.130 3.467 -0.227 1.00 44.12 N ATOM 1601 CA PHE A 95 -11.182 4.178 1.055 1.00 32.54 C ATOM 1602 C PHE A 95 -11.093 5.692 0.809 1.00 11.00 C ATOM 1603 O PHE A 95 -10.087 6.154 0.286 1.00 2.23 O ATOM 1604 CB PHE A 95 -10.110 3.632 2.040 1.00 13.41 C ATOM 1605 CG PHE A 95 -8.648 3.706 1.619 1.00 33.31 C ATOM 1606 CD1 PHE A 95 -8.078 2.679 0.838 1.00 3.42 C ATOM 1607 CD2 PHE A 95 -7.881 4.859 1.890 1.00 22.23 C ATOM 1608 CE1 PHE A 95 -6.759 2.780 0.413 1.00 43.40 C ATOM 1609 CE2 PHE A 95 -6.566 4.944 1.453 1.00 44.41 C ATOM 1610 CZ PHE A 95 -6.007 3.906 0.721 1.00 64.14 C ATOM 0 H PHE A 95 -10.658 3.995 -0.961 1.00 44.12 H new ATOM 0 HA PHE A 95 -12.139 3.995 1.544 1.00 32.54 H new ATOM 0 HB2 PHE A 95 -10.214 4.173 2.980 1.00 13.41 H new ATOM 0 HB3 PHE A 95 -10.346 2.588 2.245 1.00 13.41 H new ATOM 0 HD1 PHE A 95 -8.667 1.814 0.570 1.00 3.42 H new ATOM 0 HD2 PHE A 95 -8.319 5.679 2.440 1.00 22.23 H new ATOM 0 HE1 PHE A 95 -6.316 1.979 -0.160 1.00 43.40 H new ATOM 0 HE2 PHE A 95 -5.977 5.820 1.683 1.00 44.41 H new ATOM 0 HZ PHE A 95 -4.982 3.974 0.389 1.00 64.14 H new ATOM 1620 N LYS A 96 -12.151 6.447 1.157 1.00 41.51 N ATOM 1621 CA LYS A 96 -12.296 7.894 0.900 1.00 2.14 C ATOM 1622 C LYS A 96 -12.171 8.272 -0.598 1.00 73.30 C ATOM 1623 O LYS A 96 -11.541 9.280 -0.926 1.00 44.31 O ATOM 1624 CB LYS A 96 -11.326 8.735 1.776 1.00 54.30 C ATOM 1625 CG LYS A 96 -11.532 8.610 3.295 1.00 52.21 C ATOM 1626 CD LYS A 96 -11.108 9.875 4.071 1.00 65.24 C ATOM 1627 CE LYS A 96 -9.641 10.300 3.873 1.00 44.02 C ATOM 1628 NZ LYS A 96 -9.387 11.635 4.437 1.00 40.12 N1+ ATOM 0 H LYS A 96 -12.958 6.054 1.642 1.00 41.51 H new ATOM 0 HA LYS A 96 -13.317 8.142 1.191 1.00 2.14 H new ATOM 0 HB2 LYS A 96 -10.303 8.441 1.540 1.00 54.30 H new ATOM 0 HB3 LYS A 96 -11.429 9.784 1.498 1.00 54.30 H new ATOM 0 HG2 LYS A 96 -12.583 8.403 3.497 1.00 52.21 H new ATOM 0 HG3 LYS A 96 -10.962 7.757 3.664 1.00 52.21 H new ATOM 0 HD2 LYS A 96 -11.753 10.700 3.770 1.00 65.24 H new ATOM 0 HD3 LYS A 96 -11.281 9.706 5.134 1.00 65.24 H new ATOM 0 HE2 LYS A 96 -8.983 9.572 4.347 1.00 44.02 H new ATOM 0 HE3 LYS A 96 -9.402 10.301 2.810 1.00 44.02 H new ATOM 0 HZ1 LYS A 96 -8.483 11.999 4.074 1.00 40.12 H new ATOM 0 HZ2 LYS A 96 -10.155 12.280 4.162 1.00 40.12 H new ATOM 0 HZ3 LYS A 96 -9.343 11.571 5.474 1.00 40.12 H new ATOM 1642 N ASN A 97 -12.726 7.425 -1.486 1.00 34.43 N ATOM 1643 CA ASN A 97 -12.602 7.487 -2.952 1.00 42.31 C ATOM 1644 C ASN A 97 -11.188 7.144 -3.486 1.00 20.05 C ATOM 1645 O ASN A 97 -10.997 7.159 -4.703 1.00 24.34 O ATOM 1646 CB ASN A 97 -13.112 8.846 -3.515 1.00 63.24 C ATOM 1647 CG ASN A 97 -13.610 8.798 -4.967 1.00 72.01 C ATOM 1648 OD1 ASN A 97 -14.245 7.834 -5.391 1.00 41.54 O ATOM 1649 ND2 ASN A 97 -13.330 9.852 -5.736 1.00 21.54 N ATOM 0 H ASN A 97 -13.302 6.640 -1.183 1.00 34.43 H new ATOM 0 HA ASN A 97 -13.251 6.696 -3.327 1.00 42.31 H new ATOM 0 HB2 ASN A 97 -13.922 9.205 -2.880 1.00 63.24 H new ATOM 0 HB3 ASN A 97 -12.306 9.577 -3.447 1.00 63.24 H new ATOM 0 HD21 ASN A 97 -13.645 9.874 -6.706 1.00 21.54 H new ATOM 0 HD22 ASN A 97 -12.801 10.636 -5.354 1.00 21.54 H new ATOM 1656 N ILE A 98 -10.234 6.798 -2.602 1.00 51.10 N ATOM 1657 CA ILE A 98 -8.918 6.282 -2.973 1.00 11.54 C ATOM 1658 C ILE A 98 -9.074 4.775 -3.251 1.00 44.12 C ATOM 1659 O ILE A 98 -8.936 3.952 -2.346 1.00 21.33 O ATOM 1660 CB ILE A 98 -7.817 6.502 -1.884 1.00 12.20 C ATOM 1661 CG1 ILE A 98 -7.714 7.981 -1.442 1.00 4.40 C ATOM 1662 CG2 ILE A 98 -6.431 5.983 -2.326 1.00 73.41 C ATOM 1663 CD1 ILE A 98 -7.113 8.180 -0.044 1.00 25.24 C ATOM 0 H ILE A 98 -10.366 6.873 -1.593 1.00 51.10 H new ATOM 0 HA ILE A 98 -8.579 6.834 -3.850 1.00 11.54 H new ATOM 0 HB ILE A 98 -8.137 5.911 -1.026 1.00 12.20 H new ATOM 0 HG12 ILE A 98 -7.107 8.524 -2.167 1.00 4.40 H new ATOM 0 HG13 ILE A 98 -8.709 8.425 -1.464 1.00 4.40 H new ATOM 0 HG21 ILE A 98 -5.706 6.161 -1.532 1.00 73.41 H new ATOM 0 HG22 ILE A 98 -6.491 4.914 -2.529 1.00 73.41 H new ATOM 0 HG23 ILE A 98 -6.117 6.507 -3.229 1.00 73.41 H new ATOM 0 HD11 ILE A 98 -7.077 9.244 0.188 1.00 25.24 H new ATOM 0 HD12 ILE A 98 -7.731 7.669 0.694 1.00 25.24 H new ATOM 0 HD13 ILE A 98 -6.104 7.769 -0.020 1.00 25.24 H new ATOM 1675 N LYS A 99 -9.370 4.465 -4.522 1.00 23.23 N ATOM 1676 CA LYS A 99 -9.275 3.139 -5.130 1.00 5.21 C ATOM 1677 C LYS A 99 -7.835 2.630 -4.987 1.00 52.23 C ATOM 1678 O LYS A 99 -6.907 3.412 -5.169 1.00 5.11 O ATOM 1679 CB LYS A 99 -9.698 3.284 -6.610 1.00 24.03 C ATOM 1680 CG LYS A 99 -9.665 2.032 -7.506 1.00 41.04 C ATOM 1681 CD LYS A 99 -10.922 1.154 -7.392 1.00 15.11 C ATOM 1682 CE LYS A 99 -11.041 0.121 -8.525 1.00 4.42 C ATOM 1683 NZ LYS A 99 -11.217 0.761 -9.844 1.00 61.23 N1+ ATOM 0 H LYS A 99 -9.698 5.170 -5.182 1.00 23.23 H new ATOM 0 HA LYS A 99 -9.926 2.413 -4.644 1.00 5.21 H new ATOM 0 HB2 LYS A 99 -10.714 3.679 -6.628 1.00 24.03 H new ATOM 0 HB3 LYS A 99 -9.055 4.037 -7.067 1.00 24.03 H new ATOM 0 HG2 LYS A 99 -9.543 2.342 -8.544 1.00 41.04 H new ATOM 0 HG3 LYS A 99 -8.791 1.434 -7.247 1.00 41.04 H new ATOM 0 HD2 LYS A 99 -10.909 0.634 -6.434 1.00 15.11 H new ATOM 0 HD3 LYS A 99 -11.805 1.792 -7.396 1.00 15.11 H new ATOM 0 HE2 LYS A 99 -10.147 -0.503 -8.542 1.00 4.42 H new ATOM 0 HE3 LYS A 99 -11.886 -0.538 -8.327 1.00 4.42 H new ATOM 0 HZ1 LYS A 99 -11.576 0.061 -10.524 1.00 61.23 H new ATOM 0 HZ2 LYS A 99 -11.896 1.544 -9.762 1.00 61.23 H new ATOM 0 HZ3 LYS A 99 -10.303 1.129 -10.176 1.00 61.23 H new ATOM 1697 N SER A 100 -7.681 1.359 -4.620 1.00 12.14 N ATOM 1698 CA SER A 100 -6.399 0.754 -4.296 1.00 4.03 C ATOM 1699 C SER A 100 -6.370 -0.658 -4.869 1.00 14.30 C ATOM 1700 O SER A 100 -7.285 -1.439 -4.619 1.00 34.33 O ATOM 1701 CB SER A 100 -6.208 0.792 -2.767 1.00 31.31 C ATOM 1702 OG SER A 100 -5.109 0.019 -2.325 1.00 30.12 O ATOM 0 H SER A 100 -8.464 0.710 -4.539 1.00 12.14 H new ATOM 0 HA SER A 100 -5.567 1.301 -4.739 1.00 4.03 H new ATOM 0 HB2 SER A 100 -6.068 1.825 -2.450 1.00 31.31 H new ATOM 0 HB3 SER A 100 -7.116 0.431 -2.284 1.00 31.31 H new ATOM 0 HG SER A 100 -5.036 0.082 -1.350 1.00 30.12 H new ATOM 1708 N VAL A 101 -5.287 -0.948 -5.598 1.00 15.43 N ATOM 1709 CA VAL A 101 -4.936 -2.269 -6.090 1.00 41.42 C ATOM 1710 C VAL A 101 -3.494 -2.531 -5.634 1.00 73.31 C ATOM 1711 O VAL A 101 -2.623 -1.698 -5.885 1.00 50.41 O ATOM 1712 CB VAL A 101 -4.999 -2.351 -7.642 1.00 74.23 C ATOM 1713 CG1 VAL A 101 -4.531 -3.708 -8.209 1.00 15.41 C ATOM 1714 CG2 VAL A 101 -6.414 -2.034 -8.164 1.00 33.25 C ATOM 0 H VAL A 101 -4.609 -0.235 -5.868 1.00 15.43 H new ATOM 0 HA VAL A 101 -5.641 -3.004 -5.702 1.00 41.42 H new ATOM 0 HB VAL A 101 -4.299 -1.595 -7.997 1.00 74.23 H new ATOM 0 HG11 VAL A 101 -4.602 -3.692 -9.297 1.00 15.41 H new ATOM 0 HG12 VAL A 101 -3.497 -3.888 -7.916 1.00 15.41 H new ATOM 0 HG13 VAL A 101 -5.163 -4.504 -7.816 1.00 15.41 H new ATOM 0 HG21 VAL A 101 -6.424 -2.100 -9.252 1.00 33.25 H new ATOM 0 HG22 VAL A 101 -7.123 -2.751 -7.751 1.00 33.25 H new ATOM 0 HG23 VAL A 101 -6.697 -1.027 -7.859 1.00 33.25 H new ATOM 1724 N THR A 102 -3.274 -3.680 -4.982 1.00 24.33 N ATOM 1725 CA THR A 102 -1.949 -4.161 -4.595 1.00 33.12 C ATOM 1726 C THR A 102 -1.727 -5.521 -5.266 1.00 23.12 C ATOM 1727 O THR A 102 -2.560 -6.406 -5.087 1.00 43.43 O ATOM 1728 CB THR A 102 -1.815 -4.382 -3.065 1.00 41.33 C ATOM 1729 OG1 THR A 102 -2.221 -3.223 -2.366 1.00 45.21 O ATOM 1730 CG2 THR A 102 -0.378 -4.725 -2.629 1.00 31.04 C ATOM 0 H THR A 102 -4.027 -4.310 -4.706 1.00 24.33 H new ATOM 0 HA THR A 102 -1.223 -3.407 -4.900 1.00 33.12 H new ATOM 0 HB THR A 102 -2.456 -5.230 -2.826 1.00 41.33 H new ATOM 0 HG1 THR A 102 -1.577 -2.502 -2.526 1.00 45.21 H new ATOM 0 HG21 THR A 102 -0.350 -4.868 -1.549 1.00 31.04 H new ATOM 0 HG22 THR A 102 -0.056 -5.641 -3.125 1.00 31.04 H new ATOM 0 HG23 THR A 102 0.290 -3.909 -2.905 1.00 31.04 H new ATOM 1738 N GLU A 103 -0.621 -5.660 -6.011 1.00 42.30 N ATOM 1739 CA GLU A 103 -0.258 -6.879 -6.724 1.00 44.25 C ATOM 1740 C GLU A 103 1.114 -7.372 -6.252 1.00 51.33 C ATOM 1741 O GLU A 103 2.107 -6.659 -6.403 1.00 41.11 O ATOM 1742 CB GLU A 103 -0.305 -6.621 -8.247 1.00 1.24 C ATOM 1743 CG GLU A 103 0.062 -7.866 -9.087 1.00 23.53 C ATOM 1744 CD GLU A 103 -0.192 -7.732 -10.592 1.00 32.14 C ATOM 1745 OE1 GLU A 103 -0.922 -6.800 -10.999 1.00 13.35 O ATOM 1746 OE2 GLU A 103 0.324 -8.610 -11.319 1.00 63.03 O1- ATOM 0 H GLU A 103 0.057 -4.908 -6.133 1.00 42.30 H new ATOM 0 HA GLU A 103 -0.974 -7.671 -6.505 1.00 44.25 H new ATOM 0 HB2 GLU A 103 -1.306 -6.287 -8.522 1.00 1.24 H new ATOM 0 HB3 GLU A 103 0.380 -5.810 -8.493 1.00 1.24 H new ATOM 0 HG2 GLU A 103 1.117 -8.092 -8.931 1.00 23.53 H new ATOM 0 HG3 GLU A 103 -0.506 -8.718 -8.713 1.00 23.53 H new ATOM 1753 N LEU A 104 1.136 -8.609 -5.734 1.00 12.24 N ATOM 1754 CA LEU A 104 2.347 -9.373 -5.452 1.00 3.33 C ATOM 1755 C LEU A 104 2.819 -10.065 -6.741 1.00 4.31 C ATOM 1756 O LEU A 104 2.041 -10.791 -7.358 1.00 24.51 O ATOM 1757 CB LEU A 104 2.032 -10.372 -4.311 1.00 50.23 C ATOM 1758 CG LEU A 104 3.099 -11.452 -4.014 1.00 42.43 C ATOM 1759 CD1 LEU A 104 4.353 -10.863 -3.345 1.00 52.40 C ATOM 1760 CD2 LEU A 104 2.487 -12.572 -3.161 1.00 40.33 C ATOM 0 H LEU A 104 0.283 -9.115 -5.495 1.00 12.24 H new ATOM 0 HA LEU A 104 3.163 -8.731 -5.120 1.00 3.33 H new ATOM 0 HB2 LEU A 104 1.863 -9.802 -3.398 1.00 50.23 H new ATOM 0 HB3 LEU A 104 1.096 -10.876 -4.550 1.00 50.23 H new ATOM 0 HG LEU A 104 3.425 -11.871 -4.966 1.00 42.43 H new ATOM 0 HD11 LEU A 104 5.073 -11.659 -3.156 1.00 52.40 H new ATOM 0 HD12 LEU A 104 4.800 -10.118 -4.003 1.00 52.40 H new ATOM 0 HD13 LEU A 104 4.075 -10.394 -2.401 1.00 52.40 H new ATOM 0 HD21 LEU A 104 3.244 -13.329 -2.956 1.00 40.33 H new ATOM 0 HD22 LEU A 104 2.125 -12.157 -2.220 1.00 40.33 H new ATOM 0 HD23 LEU A 104 1.656 -13.027 -3.700 1.00 40.33 H new ATOM 1772 N ASN A 105 4.097 -9.863 -7.094 1.00 14.25 N ATOM 1773 CA ASN A 105 4.793 -10.569 -8.173 1.00 22.34 C ATOM 1774 C ASN A 105 6.090 -11.130 -7.580 1.00 31.52 C ATOM 1775 O ASN A 105 7.149 -10.528 -7.751 1.00 42.33 O ATOM 1776 CB ASN A 105 5.078 -9.612 -9.366 1.00 62.45 C ATOM 1777 CG ASN A 105 3.889 -9.185 -10.237 1.00 34.21 C ATOM 1778 OD1 ASN A 105 4.016 -8.233 -11.002 1.00 21.24 O ATOM 1779 ND2 ASN A 105 2.748 -9.873 -10.169 1.00 62.21 N ATOM 0 H ASN A 105 4.691 -9.182 -6.620 1.00 14.25 H new ATOM 0 HA ASN A 105 4.179 -11.378 -8.568 1.00 22.34 H new ATOM 0 HB2 ASN A 105 5.544 -8.710 -8.969 1.00 62.45 H new ATOM 0 HB3 ASN A 105 5.813 -10.092 -10.013 1.00 62.45 H new ATOM 0 HD21 ASN A 105 1.959 -9.612 -10.760 1.00 62.21 H new ATOM 0 HD22 ASN A 105 2.665 -10.661 -9.526 1.00 62.21 H new ATOM 1786 N GLY A 106 5.979 -12.277 -6.884 1.00 23.14 N ATOM 1787 CA GLY A 106 7.106 -13.001 -6.294 1.00 31.34 C ATOM 1788 C GLY A 106 7.702 -12.209 -5.125 1.00 2.33 C ATOM 1789 O GLY A 106 7.166 -12.244 -4.020 1.00 44.23 O ATOM 0 H GLY A 106 5.081 -12.731 -6.716 1.00 23.14 H new ATOM 0 HA2 GLY A 106 6.775 -13.980 -5.946 1.00 31.34 H new ATOM 0 HA3 GLY A 106 7.871 -13.174 -7.051 1.00 31.34 H new ATOM 1793 N ASP A 107 8.823 -11.523 -5.393 1.00 52.25 N ATOM 1794 CA ASP A 107 9.579 -10.702 -4.439 1.00 15.31 C ATOM 1795 C ASP A 107 9.214 -9.203 -4.533 1.00 53.11 C ATOM 1796 O ASP A 107 9.737 -8.417 -3.743 1.00 64.54 O ATOM 1797 CB ASP A 107 11.115 -10.864 -4.593 1.00 73.33 C ATOM 1798 CG ASP A 107 11.648 -12.293 -4.794 1.00 71.23 C ATOM 1799 OD1 ASP A 107 10.939 -13.262 -4.443 1.00 43.31 O ATOM 1800 OD2 ASP A 107 12.812 -12.384 -5.239 1.00 42.41 O1- ATOM 0 H ASP A 107 9.245 -11.526 -6.322 1.00 52.25 H new ATOM 0 HA ASP A 107 9.289 -11.074 -3.456 1.00 15.31 H new ATOM 0 HB2 ASP A 107 11.436 -10.260 -5.441 1.00 73.33 H new ATOM 0 HB3 ASP A 107 11.591 -10.446 -3.706 1.00 73.33 H new ATOM 1805 N ILE A 108 8.362 -8.819 -5.497 1.00 11.24 N ATOM 1806 CA ILE A 108 8.000 -7.431 -5.788 1.00 74.42 C ATOM 1807 C ILE A 108 6.561 -7.173 -5.296 1.00 20.20 C ATOM 1808 O ILE A 108 5.710 -8.053 -5.426 1.00 10.32 O ATOM 1809 CB ILE A 108 8.013 -7.153 -7.327 1.00 32.54 C ATOM 1810 CG1 ILE A 108 9.232 -7.758 -8.067 1.00 52.31 C ATOM 1811 CG2 ILE A 108 7.866 -5.653 -7.670 1.00 72.23 C ATOM 1812 CD1 ILE A 108 10.604 -7.322 -7.538 1.00 15.22 C ATOM 0 H ILE A 108 7.895 -9.488 -6.110 1.00 11.24 H new ATOM 0 HA ILE A 108 8.724 -6.786 -5.290 1.00 74.42 H new ATOM 0 HB ILE A 108 7.129 -7.673 -7.695 1.00 32.54 H new ATOM 0 HG12 ILE A 108 9.168 -8.845 -8.010 1.00 52.31 H new ATOM 0 HG13 ILE A 108 9.166 -7.490 -9.121 1.00 52.31 H new ATOM 0 HG21 ILE A 108 7.882 -5.524 -8.752 1.00 72.23 H new ATOM 0 HG22 ILE A 108 6.921 -5.280 -7.274 1.00 72.23 H new ATOM 0 HG23 ILE A 108 8.691 -5.096 -7.226 1.00 72.23 H new ATOM 0 HD11 ILE A 108 11.389 -7.801 -8.124 1.00 15.22 H new ATOM 0 HD12 ILE A 108 10.699 -6.239 -7.621 1.00 15.22 H new ATOM 0 HD13 ILE A 108 10.701 -7.615 -6.493 1.00 15.22 H new ATOM 1824 N ILE A 109 6.314 -5.958 -4.784 1.00 41.02 N ATOM 1825 CA ILE A 109 4.984 -5.443 -4.472 1.00 74.12 C ATOM 1826 C ILE A 109 4.760 -4.173 -5.303 1.00 72.34 C ATOM 1827 O ILE A 109 5.359 -3.134 -5.020 1.00 74.32 O ATOM 1828 CB ILE A 109 4.819 -5.098 -2.960 1.00 0.14 C ATOM 1829 CG1 ILE A 109 4.937 -6.348 -2.068 1.00 55.55 C ATOM 1830 CG2 ILE A 109 3.531 -4.313 -2.616 1.00 35.50 C ATOM 1831 CD1 ILE A 109 3.788 -7.356 -2.185 1.00 62.41 C ATOM 0 H ILE A 109 7.058 -5.293 -4.572 1.00 41.02 H new ATOM 0 HA ILE A 109 4.253 -6.216 -4.710 1.00 74.12 H new ATOM 0 HB ILE A 109 5.650 -4.426 -2.745 1.00 0.14 H new ATOM 0 HG12 ILE A 109 5.870 -6.858 -2.309 1.00 55.55 H new ATOM 0 HG13 ILE A 109 5.009 -6.026 -1.029 1.00 55.55 H new ATOM 0 HG21 ILE A 109 3.500 -4.117 -1.544 1.00 35.50 H new ATOM 0 HG22 ILE A 109 3.525 -3.367 -3.158 1.00 35.50 H new ATOM 0 HG23 ILE A 109 2.659 -4.901 -2.903 1.00 35.50 H new ATOM 0 HD11 ILE A 109 3.972 -8.196 -1.515 1.00 62.41 H new ATOM 0 HD12 ILE A 109 2.850 -6.872 -1.912 1.00 62.41 H new ATOM 0 HD13 ILE A 109 3.724 -7.717 -3.211 1.00 62.41 H new ATOM 1843 N THR A 110 3.874 -4.285 -6.300 1.00 52.21 N ATOM 1844 CA THR A 110 3.336 -3.149 -7.040 1.00 55.31 C ATOM 1845 C THR A 110 2.063 -2.665 -6.329 1.00 60.14 C ATOM 1846 O THR A 110 1.240 -3.488 -5.931 1.00 33.00 O ATOM 1847 CB THR A 110 2.958 -3.559 -8.489 1.00 23.34 C ATOM 1848 OG1 THR A 110 4.121 -4.012 -9.156 1.00 43.22 O ATOM 1849 CG2 THR A 110 2.339 -2.435 -9.343 1.00 74.24 C ATOM 0 H THR A 110 3.508 -5.183 -6.616 1.00 52.21 H new ATOM 0 HA THR A 110 4.093 -2.366 -7.080 1.00 55.31 H new ATOM 0 HB THR A 110 2.196 -4.332 -8.383 1.00 23.34 H new ATOM 0 HG1 THR A 110 3.891 -4.275 -10.072 1.00 43.22 H new ATOM 0 HG21 THR A 110 2.109 -2.818 -10.337 1.00 74.24 H new ATOM 0 HG22 THR A 110 1.423 -2.081 -8.870 1.00 74.24 H new ATOM 0 HG23 THR A 110 3.046 -1.610 -9.427 1.00 74.24 H new ATOM 1857 N ASN A 111 1.920 -1.340 -6.207 1.00 41.41 N ATOM 1858 CA ASN A 111 0.719 -0.658 -5.730 1.00 23.41 C ATOM 1859 C ASN A 111 0.320 0.370 -6.791 1.00 62.20 C ATOM 1860 O ASN A 111 1.169 1.093 -7.309 1.00 20.43 O ATOM 1861 CB ASN A 111 1.013 0.019 -4.370 1.00 72.21 C ATOM 1862 CG ASN A 111 0.749 -0.880 -3.165 1.00 71.22 C ATOM 1863 OD1 ASN A 111 -0.476 -0.834 -2.642 1.00 2.22 O flip ATOM 1864 ND2 ASN A 111 1.640 -1.583 -2.700 1.00 23.45 N flip ATOM 0 H ASN A 111 2.669 -0.691 -6.448 1.00 41.41 H new ATOM 0 HA ASN A 111 -0.101 -1.359 -5.576 1.00 23.41 H new ATOM 0 HB2 ASN A 111 2.055 0.339 -4.352 1.00 72.21 H new ATOM 0 HB3 ASN A 111 0.402 0.917 -4.282 1.00 72.21 H new ATOM 0 HD21 ASN A 111 2.564 -1.588 -3.132 1.00 23.45 H new ATOM 0 HD22 ASN A 111 1.457 -2.163 -1.881 1.00 23.45 H new ATOM 1871 N THR A 112 -0.989 0.434 -7.054 1.00 33.00 N ATOM 1872 CA THR A 112 -1.616 1.467 -7.869 1.00 72.14 C ATOM 1873 C THR A 112 -2.806 1.997 -7.064 1.00 63.23 C ATOM 1874 O THR A 112 -3.726 1.231 -6.770 1.00 44.44 O ATOM 1875 CB THR A 112 -2.136 0.919 -9.224 1.00 60.33 C ATOM 1876 OG1 THR A 112 -1.046 0.441 -9.987 1.00 13.12 O ATOM 1877 CG2 THR A 112 -2.893 1.949 -10.087 1.00 12.21 C ATOM 0 H THR A 112 -1.654 -0.251 -6.695 1.00 33.00 H new ATOM 0 HA THR A 112 -0.881 2.239 -8.097 1.00 72.14 H new ATOM 0 HB THR A 112 -2.845 0.133 -8.964 1.00 60.33 H new ATOM 0 HG1 THR A 112 -1.373 0.093 -10.843 1.00 13.12 H new ATOM 0 HG21 THR A 112 -3.219 1.477 -11.014 1.00 12.21 H new ATOM 0 HG22 THR A 112 -3.763 2.313 -9.540 1.00 12.21 H new ATOM 0 HG23 THR A 112 -2.233 2.785 -10.318 1.00 12.21 H new ATOM 1885 N MET A 113 -2.751 3.288 -6.718 1.00 11.55 N ATOM 1886 CA MET A 113 -3.808 3.994 -5.996 1.00 52.41 C ATOM 1887 C MET A 113 -4.382 5.061 -6.940 1.00 43.21 C ATOM 1888 O MET A 113 -3.610 5.725 -7.624 1.00 62.25 O ATOM 1889 CB MET A 113 -3.279 4.618 -4.676 1.00 24.04 C ATOM 1890 CG MET A 113 -2.144 3.854 -3.961 1.00 35.13 C ATOM 1891 SD MET A 113 -2.533 2.188 -3.353 1.00 42.04 S ATOM 1892 CE MET A 113 -3.117 2.609 -1.689 1.00 12.50 C ATOM 0 H MET A 113 -1.951 3.882 -6.938 1.00 11.55 H new ATOM 0 HA MET A 113 -4.592 3.297 -5.702 1.00 52.41 H new ATOM 0 HB2 MET A 113 -2.928 5.627 -4.892 1.00 24.04 H new ATOM 0 HB3 MET A 113 -4.116 4.713 -3.984 1.00 24.04 H new ATOM 0 HG2 MET A 113 -1.302 3.776 -4.648 1.00 35.13 H new ATOM 0 HG3 MET A 113 -1.811 4.455 -3.115 1.00 35.13 H new ATOM 0 HE1 MET A 113 -3.403 1.698 -1.162 1.00 12.50 H new ATOM 0 HE2 MET A 113 -2.320 3.111 -1.140 1.00 12.50 H new ATOM 0 HE3 MET A 113 -3.980 3.271 -1.763 1.00 12.50 H new ATOM 1902 N THR A 114 -5.711 5.211 -6.981 1.00 70.23 N ATOM 1903 CA THR A 114 -6.383 6.168 -7.860 1.00 53.04 C ATOM 1904 C THR A 114 -7.458 6.929 -7.069 1.00 72.10 C ATOM 1905 O THR A 114 -8.396 6.313 -6.571 1.00 25.44 O ATOM 1906 CB THR A 114 -7.032 5.477 -9.092 1.00 25.24 C ATOM 1907 OG1 THR A 114 -6.036 4.795 -9.829 1.00 22.51 O ATOM 1908 CG2 THR A 114 -7.747 6.438 -10.059 1.00 60.41 C ATOM 0 H THR A 114 -6.351 4.668 -6.402 1.00 70.23 H new ATOM 0 HA THR A 114 -5.628 6.861 -8.231 1.00 53.04 H new ATOM 0 HB THR A 114 -7.786 4.804 -8.683 1.00 25.24 H new ATOM 0 HG1 THR A 114 -6.445 4.358 -10.605 1.00 22.51 H new ATOM 0 HG21 THR A 114 -8.170 5.871 -10.888 1.00 60.41 H new ATOM 0 HG22 THR A 114 -8.546 6.959 -9.530 1.00 60.41 H new ATOM 0 HG23 THR A 114 -7.032 7.165 -10.444 1.00 60.41 H new ATOM 1916 N LEU A 115 -7.305 8.257 -6.982 1.00 21.03 N ATOM 1917 CA LEU A 115 -8.268 9.159 -6.354 1.00 55.34 C ATOM 1918 C LEU A 115 -8.702 10.145 -7.443 1.00 64.34 C ATOM 1919 O LEU A 115 -7.969 11.093 -7.730 1.00 21.52 O ATOM 1920 CB LEU A 115 -7.607 9.846 -5.131 1.00 4.13 C ATOM 1921 CG LEU A 115 -8.582 10.413 -4.066 1.00 53.13 C ATOM 1922 CD1 LEU A 115 -7.806 11.142 -2.950 1.00 44.32 C ATOM 1923 CD2 LEU A 115 -9.700 11.312 -4.623 1.00 53.31 C ATOM 0 H LEU A 115 -6.489 8.741 -7.356 1.00 21.03 H new ATOM 0 HA LEU A 115 -9.148 8.644 -5.968 1.00 55.34 H new ATOM 0 HB2 LEU A 115 -6.948 9.126 -4.646 1.00 4.13 H new ATOM 0 HB3 LEU A 115 -6.979 10.661 -5.491 1.00 4.13 H new ATOM 0 HG LEU A 115 -9.093 9.542 -3.656 1.00 53.13 H new ATOM 0 HD11 LEU A 115 -8.508 11.532 -2.213 1.00 44.32 H new ATOM 0 HD12 LEU A 115 -7.123 10.444 -2.466 1.00 44.32 H new ATOM 0 HD13 LEU A 115 -7.237 11.966 -3.381 1.00 44.32 H new ATOM 0 HD21 LEU A 115 -10.329 11.660 -3.804 1.00 53.31 H new ATOM 0 HD22 LEU A 115 -9.258 12.170 -5.130 1.00 53.31 H new ATOM 0 HD23 LEU A 115 -10.305 10.744 -5.330 1.00 53.31 H new ATOM 1935 N GLY A 116 -9.874 9.891 -8.050 1.00 62.11 N ATOM 1936 CA GLY A 116 -10.392 10.679 -9.171 1.00 74.52 C ATOM 1937 C GLY A 116 -9.488 10.479 -10.395 1.00 34.22 C ATOM 1938 O GLY A 116 -9.276 9.346 -10.827 1.00 60.22 O ATOM 0 H GLY A 116 -10.489 9.127 -7.771 1.00 62.11 H new ATOM 0 HA2 GLY A 116 -11.412 10.373 -9.404 1.00 74.52 H new ATOM 0 HA3 GLY A 116 -10.430 11.734 -8.901 1.00 74.52 H new ATOM 1942 N ASP A 117 -8.963 11.590 -10.938 1.00 65.24 N ATOM 1943 CA ASP A 117 -8.014 11.604 -12.056 1.00 12.31 C ATOM 1944 C ASP A 117 -6.557 11.345 -11.598 1.00 24.33 C ATOM 1945 O ASP A 117 -5.736 10.976 -12.438 1.00 32.21 O ATOM 1946 CB ASP A 117 -8.124 12.944 -12.829 1.00 10.40 C ATOM 1947 CG ASP A 117 -7.447 12.961 -14.208 1.00 51.24 C ATOM 1948 OD1 ASP A 117 -6.998 14.061 -14.596 1.00 31.25 O ATOM 1949 OD2 ASP A 117 -7.477 11.914 -14.890 1.00 64.20 O1- ATOM 0 H ASP A 117 -9.195 12.524 -10.601 1.00 65.24 H new ATOM 0 HA ASP A 117 -8.279 10.784 -12.723 1.00 12.31 H new ATOM 0 HB2 ASP A 117 -9.179 13.186 -12.957 1.00 10.40 H new ATOM 0 HB3 ASP A 117 -7.688 13.734 -12.218 1.00 10.40 H new ATOM 1954 N ILE A 118 -6.241 11.535 -10.300 1.00 63.44 N ATOM 1955 CA ILE A 118 -4.889 11.363 -9.762 1.00 63.52 C ATOM 1956 C ILE A 118 -4.558 9.863 -9.615 1.00 62.02 C ATOM 1957 O ILE A 118 -4.959 9.243 -8.630 1.00 3.24 O ATOM 1958 CB ILE A 118 -4.673 12.070 -8.385 1.00 51.20 C ATOM 1959 CG1 ILE A 118 -5.007 13.582 -8.441 1.00 61.42 C ATOM 1960 CG2 ILE A 118 -3.224 11.895 -7.876 1.00 22.15 C ATOM 1961 CD1 ILE A 118 -6.447 13.924 -8.034 1.00 63.33 C ATOM 0 H ILE A 118 -6.926 11.814 -9.597 1.00 63.44 H new ATOM 0 HA ILE A 118 -4.218 11.836 -10.479 1.00 63.52 H new ATOM 0 HB ILE A 118 -5.361 11.586 -7.692 1.00 51.20 H new ATOM 0 HG12 ILE A 118 -4.319 14.119 -7.787 1.00 61.42 H new ATOM 0 HG13 ILE A 118 -4.832 13.944 -9.454 1.00 61.42 H new ATOM 0 HG21 ILE A 118 -3.112 12.400 -6.917 1.00 22.15 H new ATOM 0 HG22 ILE A 118 -3.006 10.834 -7.755 1.00 22.15 H new ATOM 0 HG23 ILE A 118 -2.530 12.328 -8.597 1.00 22.15 H new ATOM 0 HD11 ILE A 118 -6.598 15.001 -8.101 1.00 63.33 H new ATOM 0 HD12 ILE A 118 -7.144 13.418 -8.702 1.00 63.33 H new ATOM 0 HD13 ILE A 118 -6.623 13.596 -7.010 1.00 63.33 H new ATOM 1973 N VAL A 119 -3.823 9.329 -10.603 1.00 14.52 N ATOM 1974 CA VAL A 119 -3.293 7.968 -10.593 1.00 40.30 C ATOM 1975 C VAL A 119 -1.877 8.007 -9.992 1.00 12.04 C ATOM 1976 O VAL A 119 -0.944 8.480 -10.638 1.00 43.32 O ATOM 1977 CB VAL A 119 -3.228 7.357 -12.022 1.00 35.24 C ATOM 1978 CG1 VAL A 119 -2.574 5.957 -12.065 1.00 3.10 C ATOM 1979 CG2 VAL A 119 -4.628 7.281 -12.660 1.00 31.10 C ATOM 0 H VAL A 119 -3.579 9.848 -11.447 1.00 14.52 H new ATOM 0 HA VAL A 119 -3.958 7.341 -9.999 1.00 40.30 H new ATOM 0 HB VAL A 119 -2.594 8.033 -12.595 1.00 35.24 H new ATOM 0 HG11 VAL A 119 -2.562 5.592 -13.092 1.00 3.10 H new ATOM 0 HG12 VAL A 119 -1.552 6.021 -11.691 1.00 3.10 H new ATOM 0 HG13 VAL A 119 -3.146 5.269 -11.442 1.00 3.10 H new ATOM 0 HG21 VAL A 119 -4.550 6.850 -13.658 1.00 31.10 H new ATOM 0 HG22 VAL A 119 -5.275 6.656 -12.044 1.00 31.10 H new ATOM 0 HG23 VAL A 119 -5.051 8.283 -12.730 1.00 31.10 H new ATOM 1989 N PHE A 120 -1.764 7.501 -8.758 1.00 54.22 N ATOM 1990 CA PHE A 120 -0.518 7.290 -8.032 1.00 3.10 C ATOM 1991 C PHE A 120 -0.017 5.870 -8.315 1.00 33.01 C ATOM 1992 O PHE A 120 -0.801 4.923 -8.239 1.00 5.04 O ATOM 1993 CB PHE A 120 -0.811 7.487 -6.532 1.00 54.44 C ATOM 1994 CG PHE A 120 0.342 7.328 -5.551 1.00 55.23 C ATOM 1995 CD1 PHE A 120 0.130 6.682 -4.315 1.00 15.15 C ATOM 1996 CD2 PHE A 120 1.584 7.958 -5.776 1.00 34.05 C ATOM 1997 CE1 PHE A 120 1.143 6.622 -3.368 1.00 72.25 C ATOM 1998 CE2 PHE A 120 2.598 7.861 -4.832 1.00 11.14 C ATOM 1999 CZ PHE A 120 2.374 7.206 -3.629 1.00 21.32 C ATOM 0 H PHE A 120 -2.581 7.216 -8.218 1.00 54.22 H new ATOM 0 HA PHE A 120 0.254 7.993 -8.344 1.00 3.10 H new ATOM 0 HB2 PHE A 120 -1.225 8.487 -6.401 1.00 54.44 H new ATOM 0 HB3 PHE A 120 -1.590 6.780 -6.248 1.00 54.44 H new ATOM 0 HD1 PHE A 120 -0.828 6.231 -4.104 1.00 15.15 H new ATOM 0 HD2 PHE A 120 1.747 8.518 -6.685 1.00 34.05 H new ATOM 0 HE1 PHE A 120 0.973 6.120 -2.427 1.00 72.25 H new ATOM 0 HE2 PHE A 120 3.565 8.297 -5.035 1.00 11.14 H new ATOM 0 HZ PHE A 120 3.162 7.151 -2.892 1.00 21.32 H new ATOM 2009 N LYS A 121 1.281 5.747 -8.612 1.00 52.41 N ATOM 2010 CA LYS A 121 1.938 4.465 -8.851 1.00 73.41 C ATOM 2011 C LYS A 121 3.071 4.335 -7.825 1.00 64.01 C ATOM 2012 O LYS A 121 3.703 5.329 -7.471 1.00 13.03 O ATOM 2013 CB LYS A 121 2.435 4.427 -10.313 1.00 1.55 C ATOM 2014 CG LYS A 121 2.333 3.071 -11.030 1.00 70.32 C ATOM 2015 CD LYS A 121 3.472 2.098 -10.691 1.00 62.43 C ATOM 2016 CE LYS A 121 3.543 0.883 -11.626 1.00 24.15 C ATOM 2017 NZ LYS A 121 3.912 1.269 -13.002 1.00 62.52 N1+ ATOM 0 H LYS A 121 1.909 6.547 -8.693 1.00 52.41 H new ATOM 0 HA LYS A 121 1.265 3.617 -8.725 1.00 73.41 H new ATOM 0 HB2 LYS A 121 1.869 5.161 -10.886 1.00 1.55 H new ATOM 0 HB3 LYS A 121 3.477 4.745 -10.329 1.00 1.55 H new ATOM 0 HG2 LYS A 121 1.382 2.605 -10.771 1.00 70.32 H new ATOM 0 HG3 LYS A 121 2.322 3.241 -12.107 1.00 70.32 H new ATOM 0 HD2 LYS A 121 4.420 2.634 -10.733 1.00 62.43 H new ATOM 0 HD3 LYS A 121 3.348 1.750 -9.666 1.00 62.43 H new ATOM 0 HE2 LYS A 121 4.272 0.170 -11.241 1.00 24.15 H new ATOM 0 HE3 LYS A 121 2.578 0.377 -11.637 1.00 24.15 H new ATOM 0 HZ1 LYS A 121 4.164 0.419 -13.545 1.00 62.52 H new ATOM 0 HZ2 LYS A 121 3.107 1.745 -13.457 1.00 62.52 H new ATOM 0 HZ3 LYS A 121 4.726 1.916 -12.975 1.00 62.52 H new ATOM 2031 N ARG A 122 3.270 3.106 -7.348 1.00 1.23 N ATOM 2032 CA ARG A 122 4.180 2.732 -6.272 1.00 45.20 C ATOM 2033 C ARG A 122 4.784 1.372 -6.627 1.00 21.25 C ATOM 2034 O ARG A 122 4.064 0.472 -7.060 1.00 54.25 O ATOM 2035 CB ARG A 122 3.359 2.625 -4.970 1.00 32.24 C ATOM 2036 CG ARG A 122 3.279 3.903 -4.128 1.00 3.01 C ATOM 2037 CD ARG A 122 4.450 4.072 -3.145 1.00 11.54 C ATOM 2038 NE ARG A 122 4.468 3.012 -2.119 1.00 34.20 N ATOM 2039 CZ ARG A 122 3.630 2.882 -1.075 1.00 63.42 C ATOM 2040 NH1 ARG A 122 2.692 3.803 -0.808 1.00 43.43 N1+ ATOM 2041 NH2 ARG A 122 3.734 1.804 -0.288 1.00 34.12 N ATOM 0 H ARG A 122 2.770 2.301 -7.726 1.00 1.23 H new ATOM 0 HA ARG A 122 4.976 3.465 -6.140 1.00 45.20 H new ATOM 0 HB2 ARG A 122 2.345 2.316 -5.226 1.00 32.24 H new ATOM 0 HB3 ARG A 122 3.788 1.833 -4.356 1.00 32.24 H new ATOM 0 HG2 ARG A 122 3.249 4.765 -4.794 1.00 3.01 H new ATOM 0 HG3 ARG A 122 2.344 3.900 -3.568 1.00 3.01 H new ATOM 0 HD2 ARG A 122 5.390 4.059 -3.696 1.00 11.54 H new ATOM 0 HD3 ARG A 122 4.378 5.045 -2.659 1.00 11.54 H new ATOM 0 HE ARG A 122 5.194 2.301 -2.211 1.00 34.20 H new ATOM 0 HH11 ARG A 122 2.602 4.626 -1.403 1.00 43.43 H new ATOM 0 HH12 ARG A 122 2.069 3.680 -0.010 1.00 43.43 H new ATOM 0 HH21 ARG A 122 4.441 1.096 -0.484 1.00 34.12 H new ATOM 0 HH22 ARG A 122 3.106 1.691 0.508 1.00 34.12 H new ATOM 2055 N ILE A 123 6.098 1.243 -6.414 1.00 44.02 N ATOM 2056 CA ILE A 123 6.841 0.002 -6.588 1.00 1.53 C ATOM 2057 C ILE A 123 7.734 -0.165 -5.350 1.00 42.14 C ATOM 2058 O ILE A 123 8.455 0.765 -4.984 1.00 11.14 O ATOM 2059 CB ILE A 123 7.752 0.009 -7.855 1.00 33.44 C ATOM 2060 CG1 ILE A 123 6.967 0.328 -9.154 1.00 44.22 C ATOM 2061 CG2 ILE A 123 8.490 -1.340 -8.034 1.00 11.42 C ATOM 2062 CD1 ILE A 123 6.857 1.827 -9.481 1.00 61.45 C ATOM 0 H ILE A 123 6.683 2.021 -6.109 1.00 44.02 H new ATOM 0 HA ILE A 123 6.127 -0.812 -6.712 1.00 1.53 H new ATOM 0 HB ILE A 123 8.479 0.804 -7.687 1.00 33.44 H new ATOM 0 HG12 ILE A 123 7.450 -0.179 -9.989 1.00 44.22 H new ATOM 0 HG13 ILE A 123 5.963 -0.087 -9.068 1.00 44.22 H new ATOM 0 HG21 ILE A 123 9.115 -1.297 -8.926 1.00 11.42 H new ATOM 0 HG22 ILE A 123 9.115 -1.531 -7.162 1.00 11.42 H new ATOM 0 HG23 ILE A 123 7.760 -2.143 -8.140 1.00 11.42 H new ATOM 0 HD11 ILE A 123 6.293 1.957 -10.405 1.00 61.45 H new ATOM 0 HD12 ILE A 123 6.345 2.340 -8.667 1.00 61.45 H new ATOM 0 HD13 ILE A 123 7.855 2.247 -9.603 1.00 61.45 H new ATOM 2074 N SER A 124 7.668 -1.359 -4.748 1.00 22.23 N ATOM 2075 CA SER A 124 8.501 -1.795 -3.631 1.00 32.50 C ATOM 2076 C SER A 124 9.034 -3.206 -3.929 1.00 25.54 C ATOM 2077 O SER A 124 8.411 -3.943 -4.695 1.00 1.51 O ATOM 2078 CB SER A 124 7.672 -1.763 -2.334 1.00 13.10 C ATOM 2079 OG SER A 124 7.436 -0.431 -1.926 1.00 34.43 O ATOM 0 H SER A 124 7.003 -2.075 -5.042 1.00 22.23 H new ATOM 0 HA SER A 124 9.352 -1.127 -3.501 1.00 32.50 H new ATOM 0 HB2 SER A 124 6.722 -2.275 -2.491 1.00 13.10 H new ATOM 0 HB3 SER A 124 8.198 -2.302 -1.546 1.00 13.10 H new ATOM 0 HG SER A 124 6.906 -0.430 -1.101 1.00 34.43 H new ATOM 2085 N LYS A 125 10.177 -3.558 -3.323 1.00 24.13 N ATOM 2086 CA LYS A 125 10.850 -4.846 -3.522 1.00 34.33 C ATOM 2087 C LYS A 125 11.440 -5.333 -2.193 1.00 1.52 C ATOM 2088 O LYS A 125 11.837 -4.512 -1.367 1.00 34.02 O ATOM 2089 CB LYS A 125 11.896 -4.701 -4.650 1.00 65.50 C ATOM 2090 CG LYS A 125 12.571 -6.008 -5.112 1.00 71.15 C ATOM 2091 CD LYS A 125 13.918 -6.315 -4.446 1.00 22.53 C ATOM 2092 CE LYS A 125 14.434 -7.708 -4.829 1.00 0.14 C ATOM 2093 NZ LYS A 125 15.716 -8.003 -4.169 1.00 21.45 N1+ ATOM 0 H LYS A 125 10.666 -2.945 -2.671 1.00 24.13 H new ATOM 0 HA LYS A 125 10.144 -5.613 -3.841 1.00 34.33 H new ATOM 0 HB2 LYS A 125 11.412 -4.240 -5.511 1.00 65.50 H new ATOM 0 HB3 LYS A 125 12.672 -4.013 -4.314 1.00 65.50 H new ATOM 0 HG2 LYS A 125 11.891 -6.838 -4.920 1.00 71.15 H new ATOM 0 HG3 LYS A 125 12.719 -5.961 -6.191 1.00 71.15 H new ATOM 0 HD2 LYS A 125 14.649 -5.562 -4.740 1.00 22.53 H new ATOM 0 HD3 LYS A 125 13.812 -6.251 -3.363 1.00 22.53 H new ATOM 0 HE2 LYS A 125 13.697 -8.461 -4.550 1.00 0.14 H new ATOM 0 HE3 LYS A 125 14.557 -7.768 -5.910 1.00 0.14 H new ATOM 0 HZ1 LYS A 125 16.040 -8.951 -4.447 1.00 21.45 H new ATOM 0 HZ2 LYS A 125 16.424 -7.298 -4.456 1.00 21.45 H new ATOM 0 HZ3 LYS A 125 15.591 -7.969 -3.137 1.00 21.45 H new ATOM 2107 N ARG A 126 11.457 -6.667 -2.022 1.00 63.52 N ATOM 2108 CA ARG A 126 11.763 -7.386 -0.783 1.00 41.42 C ATOM 2109 C ARG A 126 13.136 -7.045 -0.178 1.00 12.11 C ATOM 2110 O ARG A 126 14.138 -7.042 -0.896 1.00 24.21 O ATOM 2111 CB ARG A 126 11.626 -8.903 -1.034 1.00 33.20 C ATOM 2112 CG ARG A 126 11.706 -9.781 0.233 1.00 73.33 C ATOM 2113 CD ARG A 126 11.738 -11.285 -0.073 1.00 13.21 C ATOM 2114 NE ARG A 126 10.469 -11.777 -0.628 1.00 42.13 N ATOM 2115 CZ ARG A 126 10.316 -12.927 -1.308 1.00 14.43 C ATOM 2116 NH1 ARG A 126 11.352 -13.750 -1.529 1.00 70.12 N1+ ATOM 2117 NH2 ARG A 126 9.109 -13.256 -1.781 1.00 4.03 N ATOM 0 H ARG A 126 11.245 -7.303 -2.791 1.00 63.52 H new ATOM 0 HA ARG A 126 11.041 -7.058 -0.036 1.00 41.42 H new ATOM 0 HB2 ARG A 126 10.673 -9.090 -1.528 1.00 33.20 H new ATOM 0 HB3 ARG A 126 12.410 -9.215 -1.724 1.00 33.20 H new ATOM 0 HG2 ARG A 126 12.599 -9.513 0.797 1.00 73.33 H new ATOM 0 HG3 ARG A 126 10.849 -9.565 0.871 1.00 73.33 H new ATOM 0 HD2 ARG A 126 12.543 -11.491 -0.779 1.00 13.21 H new ATOM 0 HD3 ARG A 126 11.967 -11.833 0.841 1.00 13.21 H new ATOM 0 HE ARG A 126 9.639 -11.201 -0.486 1.00 42.13 H new ATOM 0 HH11 ARG A 126 12.279 -13.508 -1.179 1.00 70.12 H new ATOM 0 HH12 ARG A 126 11.213 -14.617 -2.047 1.00 70.12 H new ATOM 0 HH21 ARG A 126 8.314 -12.637 -1.625 1.00 4.03 H new ATOM 0 HH22 ARG A 126 8.984 -14.126 -2.298 1.00 4.03 H new ATOM 2131 N ILE A 127 13.140 -6.819 1.144 1.00 50.12 N ATOM 2132 CA ILE A 127 14.325 -6.579 1.972 1.00 3.32 C ATOM 2133 C ILE A 127 14.249 -7.648 3.048 1.00 21.41 C ATOM 2134 O ILE A 127 15.029 -7.685 4.000 1.00 22.53 O ATOM 2135 CB ILE A 127 14.380 -5.118 2.524 1.00 70.30 C ATOM 2136 CG1 ILE A 127 13.186 -4.712 3.429 1.00 43.04 C ATOM 2137 CG2 ILE A 127 14.570 -4.108 1.374 1.00 2.02 C ATOM 2138 CD1 ILE A 127 13.452 -3.478 4.304 1.00 0.24 C ATOM 0 H ILE A 127 12.277 -6.798 1.687 1.00 50.12 H new ATOM 0 HA ILE A 127 15.256 -6.655 1.410 1.00 3.32 H new ATOM 0 HB ILE A 127 15.249 -5.094 3.182 1.00 70.30 H new ATOM 0 HG12 ILE A 127 12.317 -4.517 2.800 1.00 43.04 H new ATOM 0 HG13 ILE A 127 12.931 -5.553 4.074 1.00 43.04 H new ATOM 0 HG21 ILE A 127 14.606 -3.097 1.780 1.00 2.02 H new ATOM 0 HG22 ILE A 127 15.502 -4.322 0.852 1.00 2.02 H new ATOM 0 HG23 ILE A 127 13.736 -4.190 0.677 1.00 2.02 H new ATOM 0 HD11 ILE A 127 12.569 -3.261 4.905 1.00 0.24 H new ATOM 0 HD12 ILE A 127 14.299 -3.674 4.961 1.00 0.24 H new ATOM 0 HD13 ILE A 127 13.676 -2.622 3.667 1.00 0.24 H new