USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=36 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 -54:sc= 0.327 USER MOD Set 1.2: A 111 ASN :FLIP amide:sc= 0.299 F(o=0,f=0.63) USER MOD Set 1.3: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 81 THR OG1 : rot 163:sc= 1.07 USER MOD Set 2.2: A 93 THR OG1 : rot 71:sc= 0.922 USER MOD Set 3.1: A 73 THR OG1 : rot -86:sc= 0.838 USER MOD Set 3.2: A 75 THR OG1 : rot -11:sc= 0.143 USER MOD Set 4.1: A 47 HIS : no HE2:sc= 0.299 K(o=0.61,f=-3.8) USER MOD Set 4.2: A 64 THR OG1 : rot 180:sc= 0.308 USER MOD Set 5.1: A 2 SER OG : rot -109:sc= 0.0555 USER MOD Set 5.2: A 4 SER OG : rot 180:sc= 0.0525 USER MOD Set 5.3: A 43 GLN : amide:sc= 0.385 K(o=0.49,f=-3.4!) USER MOD Single : A 6 LYS NZ :NH3+ 141:sc= 0.0072 (180deg=-1.24!) USER MOD Single : A 7 TYR OH : rot -161:sc= 0.785 USER MOD Single : A 8 GLN : amide:sc= 0.194 X(o=0.19,f=0) USER MOD Single : A 10 GLN :FLIP amide:sc= 0.555 F(o=-0.034,f=0.55) USER MOD Single : A 11 SER OG : rot 37:sc= 0.283 USER MOD Single : A 12 GLN : amide:sc= -1.19 K(o=-1.2,f=-4.4!) USER MOD Single : A 14 ASN : amide:sc= 0.567 K(o=0.57,f=-0.15) USER MOD Single : A 19 MET CE :methyl -173:sc=-0.00634 (180deg=-0.0636) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.0249 X(o=-0.025,f=-0.13) USER MOD Single : A 31 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0141) USER MOD Single : A 33 LYS NZ :NH3+ -110:sc= 0.314 (180deg=-0.152) 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 44 ASN : amide:sc= -0.0377 X(o=-0.038,f=-0.062) USER MOD Single : A 46 LYS NZ :NH3+ 164:sc= -0.0405 (180deg=-0.302) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -53:sc= 0.156 USER MOD Single : A 57 LYS NZ :NH3+ 156:sc= 0.0329 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.087 X(o=-0.087,f=0) USER MOD Single : A 61 ASN : amide:sc= 0.294 K(o=0.29,f=-2.6!) USER MOD Single : A 69 CYS SG : rot 38:sc= -0.284 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 167:sc= 0.0925 (180deg=0.0601) USER MOD Single : A 80 LYS NZ :NH3+ 170:sc= 0.946 (180deg=0.895) USER MOD Single : A 84 GLN : amide:sc= -0.0284 K(o=-0.028,f=-1.3) USER MOD Single : A 89 ASN : amide:sc= 0.0172 X(o=0.017,f=-0.092) USER MOD Single : A 90 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.185) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.431) USER MOD Single : A 97 ASN : amide:sc= -0.0105 X(o=-0.01,f=-0.43) USER MOD Single : A 99 LYS NZ :NH3+ -169:sc= -0.0135 (180deg=-0.147) USER MOD Single : A 100 SER OG : rot -155:sc= -0.448 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,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+ 139:sc= -1.14 (180deg=-2.97!) 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 2.642 -16.125 -0.631 1.00 23.44 N ATOM 147 CA SER A 2 2.082 -15.370 0.484 1.00 34.33 C ATOM 148 C SER A 2 2.692 -13.959 0.481 1.00 60.43 C ATOM 149 O SER A 2 3.913 -13.831 0.369 1.00 70.02 O ATOM 150 CB SER A 2 2.359 -16.126 1.800 1.00 73.21 C ATOM 151 OG SER A 2 1.763 -15.473 2.904 1.00 2.05 O ATOM 0 HA SER A 2 1.001 -15.269 0.387 1.00 34.33 H new ATOM 0 HB2 SER A 2 1.974 -17.143 1.725 1.00 73.21 H new ATOM 0 HB3 SER A 2 3.435 -16.203 1.958 1.00 73.21 H new ATOM 0 HG SER A 2 2.460 -15.062 3.456 1.00 2.05 H new ATOM 157 N PHE A 3 1.833 -12.933 0.608 1.00 23.45 N ATOM 158 CA PHE A 3 2.221 -11.518 0.614 1.00 2.14 C ATOM 159 C PHE A 3 3.148 -11.121 1.777 1.00 52.53 C ATOM 160 O PHE A 3 3.764 -10.065 1.691 1.00 51.21 O ATOM 161 CB PHE A 3 0.981 -10.602 0.659 1.00 34.04 C ATOM 162 CG PHE A 3 0.117 -10.449 -0.583 1.00 74.30 C ATOM 163 CD1 PHE A 3 -0.532 -11.556 -1.170 1.00 13.25 C ATOM 164 CD2 PHE A 3 -0.167 -9.153 -1.069 1.00 40.41 C ATOM 165 CE1 PHE A 3 -1.457 -11.359 -2.184 1.00 52.23 C ATOM 166 CE2 PHE A 3 -1.091 -8.977 -2.089 1.00 22.04 C ATOM 167 CZ PHE A 3 -1.753 -10.074 -2.619 1.00 64.41 C ATOM 0 H PHE A 3 0.828 -13.071 0.711 1.00 23.45 H new ATOM 0 HA PHE A 3 2.776 -11.384 -0.315 1.00 2.14 H new ATOM 0 HB2 PHE A 3 0.338 -10.962 1.462 1.00 34.04 H new ATOM 0 HB3 PHE A 3 1.321 -9.607 0.945 1.00 34.04 H new ATOM 0 HD1 PHE A 3 -0.308 -12.556 -0.830 1.00 13.25 H new ATOM 0 HD2 PHE A 3 0.337 -8.297 -0.645 1.00 40.41 H new ATOM 0 HE1 PHE A 3 -1.949 -12.207 -2.637 1.00 52.23 H new ATOM 0 HE2 PHE A 3 -1.294 -7.987 -2.470 1.00 22.04 H new ATOM 0 HZ PHE A 3 -2.507 -9.927 -3.378 1.00 64.41 H new ATOM 177 N SER A 4 3.215 -11.944 2.839 1.00 22.24 N ATOM 178 CA SER A 4 3.991 -11.713 4.056 1.00 22.20 C ATOM 179 C SER A 4 5.505 -11.489 3.827 1.00 22.44 C ATOM 180 O SER A 4 6.104 -12.147 2.974 1.00 34.43 O ATOM 181 CB SER A 4 3.689 -12.855 5.051 1.00 73.43 C ATOM 182 OG SER A 4 4.173 -14.110 4.613 1.00 61.14 O ATOM 0 H SER A 4 2.704 -12.826 2.867 1.00 22.24 H new ATOM 0 HA SER A 4 3.672 -10.761 4.481 1.00 22.20 H new ATOM 0 HB2 SER A 4 4.135 -12.616 6.016 1.00 73.43 H new ATOM 0 HB3 SER A 4 2.612 -12.920 5.205 1.00 73.43 H new ATOM 0 HG SER A 4 3.956 -14.795 5.280 1.00 61.14 H new ATOM 188 N GLY A 5 6.082 -10.566 4.616 1.00 55.21 N ATOM 189 CA GLY A 5 7.503 -10.211 4.597 1.00 62.30 C ATOM 190 C GLY A 5 7.686 -8.688 4.520 1.00 12.11 C ATOM 191 O GLY A 5 6.731 -7.936 4.314 1.00 5.45 O ATOM 0 H GLY A 5 5.551 -10.032 5.305 1.00 55.21 H new ATOM 0 HA2 GLY A 5 7.990 -10.595 5.493 1.00 62.30 H new ATOM 0 HA3 GLY A 5 7.989 -10.683 3.743 1.00 62.30 H new ATOM 195 N LYS A 6 8.948 -8.249 4.671 1.00 62.03 N ATOM 196 CA LYS A 6 9.400 -6.869 4.462 1.00 45.11 C ATOM 197 C LYS A 6 9.633 -6.597 2.973 1.00 1.54 C ATOM 198 O LYS A 6 10.178 -7.457 2.288 1.00 41.23 O ATOM 199 CB LYS A 6 10.733 -6.639 5.203 1.00 53.32 C ATOM 200 CG LYS A 6 10.593 -6.587 6.729 1.00 72.05 C ATOM 201 CD LYS A 6 11.886 -6.219 7.480 1.00 60.24 C ATOM 202 CE LYS A 6 12.994 -7.291 7.459 1.00 31.03 C ATOM 203 NZ LYS A 6 13.769 -7.291 6.207 1.00 25.41 N1+ ATOM 0 H LYS A 6 9.706 -8.871 4.952 1.00 62.03 H new ATOM 0 HA LYS A 6 8.628 -6.200 4.843 1.00 45.11 H new ATOM 0 HB2 LYS A 6 11.427 -7.437 4.938 1.00 53.32 H new ATOM 0 HB3 LYS A 6 11.174 -5.705 4.856 1.00 53.32 H new ATOM 0 HG2 LYS A 6 9.821 -5.862 6.985 1.00 72.05 H new ATOM 0 HG3 LYS A 6 10.247 -7.559 7.082 1.00 72.05 H new ATOM 0 HD2 LYS A 6 12.286 -5.300 7.051 1.00 60.24 H new ATOM 0 HD3 LYS A 6 11.634 -6.003 8.518 1.00 60.24 H new ATOM 0 HE2 LYS A 6 13.669 -7.124 8.298 1.00 31.03 H new ATOM 0 HE3 LYS A 6 12.544 -8.274 7.602 1.00 31.03 H new ATOM 0 HZ1 LYS A 6 14.773 -7.462 6.420 1.00 25.41 H new ATOM 0 HZ2 LYS A 6 13.416 -8.042 5.580 1.00 25.41 H new ATOM 0 HZ3 LYS A 6 13.667 -6.370 5.736 1.00 25.41 H new ATOM 217 N TYR A 7 9.278 -5.386 2.524 1.00 52.01 N ATOM 218 CA TYR A 7 9.534 -4.884 1.179 1.00 55.21 C ATOM 219 C TYR A 7 9.911 -3.407 1.294 1.00 73.55 C ATOM 220 O TYR A 7 9.049 -2.597 1.628 1.00 72.24 O ATOM 221 CB TYR A 7 8.302 -5.054 0.254 1.00 63.20 C ATOM 222 CG TYR A 7 7.707 -6.444 0.165 1.00 53.41 C ATOM 223 CD1 TYR A 7 8.031 -7.301 -0.904 1.00 60.51 C ATOM 224 CD2 TYR A 7 6.803 -6.877 1.156 1.00 23.35 C ATOM 225 CE1 TYR A 7 7.473 -8.592 -0.971 1.00 40.33 C ATOM 226 CE2 TYR A 7 6.259 -8.170 1.098 1.00 34.11 C ATOM 227 CZ TYR A 7 6.590 -9.029 0.033 1.00 61.45 C ATOM 228 OH TYR A 7 6.047 -10.276 -0.034 1.00 53.42 O ATOM 0 H TYR A 7 8.789 -4.711 3.111 1.00 52.01 H new ATOM 0 HA TYR A 7 10.345 -5.458 0.730 1.00 55.21 H new ATOM 0 HB2 TYR A 7 7.523 -4.371 0.595 1.00 63.20 H new ATOM 0 HB3 TYR A 7 8.584 -4.739 -0.751 1.00 63.20 H new ATOM 0 HD1 TYR A 7 8.710 -6.967 -1.675 1.00 60.51 H new ATOM 0 HD2 TYR A 7 6.528 -6.213 1.962 1.00 23.35 H new ATOM 0 HE1 TYR A 7 7.723 -9.246 -1.793 1.00 40.33 H new ATOM 0 HE2 TYR A 7 5.585 -8.506 1.872 1.00 34.11 H new ATOM 0 HH TYR A 7 5.256 -10.320 0.543 1.00 53.42 H new ATOM 238 N GLN A 8 11.172 -3.065 0.984 1.00 1.02 N ATOM 239 CA GLN A 8 11.621 -1.675 0.867 1.00 62.04 C ATOM 240 C GLN A 8 10.872 -0.980 -0.284 1.00 10.20 C ATOM 241 O GLN A 8 10.625 -1.623 -1.301 1.00 44.43 O ATOM 242 CB GLN A 8 13.142 -1.647 0.620 1.00 2.50 C ATOM 243 CG GLN A 8 13.772 -0.239 0.718 1.00 63.23 C ATOM 244 CD GLN A 8 15.075 -0.136 -0.072 1.00 52.24 C ATOM 245 OE1 GLN A 8 16.067 -0.775 0.273 1.00 55.13 O ATOM 246 NE2 GLN A 8 15.077 0.676 -1.131 1.00 2.00 N ATOM 0 H GLN A 8 11.908 -3.749 0.808 1.00 1.02 H new ATOM 0 HA GLN A 8 11.405 -1.140 1.792 1.00 62.04 H new ATOM 0 HB2 GLN A 8 13.629 -2.302 1.343 1.00 2.50 H new ATOM 0 HB3 GLN A 8 13.346 -2.056 -0.369 1.00 2.50 H new ATOM 0 HG2 GLN A 8 13.064 0.501 0.346 1.00 63.23 H new ATOM 0 HG3 GLN A 8 13.963 0.000 1.764 1.00 63.23 H new ATOM 0 HE21 GLN A 8 14.231 1.188 -1.383 1.00 2.00 H new ATOM 0 HE22 GLN A 8 15.924 0.785 -1.689 1.00 2.00 H new ATOM 255 N LEU A 9 10.549 0.308 -0.115 1.00 0.12 N ATOM 256 CA LEU A 9 10.026 1.157 -1.183 1.00 63.33 C ATOM 257 C LEU A 9 11.151 1.485 -2.180 1.00 42.21 C ATOM 258 O LEU A 9 12.228 1.906 -1.757 1.00 34.12 O ATOM 259 CB LEU A 9 9.376 2.401 -0.539 1.00 4.51 C ATOM 260 CG LEU A 9 8.573 3.304 -1.500 1.00 14.33 C ATOM 261 CD1 LEU A 9 7.413 3.998 -0.761 1.00 40.25 C ATOM 262 CD2 LEU A 9 9.470 4.334 -2.216 1.00 73.22 C ATOM 0 H LEU A 9 10.646 0.792 0.778 1.00 0.12 H new ATOM 0 HA LEU A 9 9.253 0.651 -1.761 1.00 63.33 H new ATOM 0 HB2 LEU A 9 8.713 2.070 0.260 1.00 4.51 H new ATOM 0 HB3 LEU A 9 10.160 3.000 -0.075 1.00 4.51 H new ATOM 0 HG LEU A 9 8.151 2.659 -2.271 1.00 14.33 H new ATOM 0 HD11 LEU A 9 6.862 4.629 -1.459 1.00 40.25 H new ATOM 0 HD12 LEU A 9 6.743 3.245 -0.346 1.00 40.25 H new ATOM 0 HD13 LEU A 9 7.812 4.613 0.046 1.00 40.25 H new ATOM 0 HD21 LEU A 9 8.861 4.946 -2.881 1.00 73.22 H new ATOM 0 HD22 LEU A 9 9.953 4.972 -1.476 1.00 73.22 H new ATOM 0 HD23 LEU A 9 10.230 3.812 -2.797 1.00 73.22 H new ATOM 274 N GLN A 10 10.881 1.276 -3.477 1.00 32.14 N ATOM 275 CA GLN A 10 11.839 1.524 -4.553 1.00 23.51 C ATOM 276 C GLN A 10 11.609 2.908 -5.172 1.00 33.04 C ATOM 277 O GLN A 10 12.550 3.698 -5.239 1.00 11.12 O ATOM 278 CB GLN A 10 11.731 0.430 -5.642 1.00 41.22 C ATOM 279 CG GLN A 10 11.920 -1.030 -5.179 1.00 70.53 C ATOM 280 CD GLN A 10 13.098 -1.260 -4.229 1.00 21.25 C ATOM 281 OE1 GLN A 10 14.323 -1.049 -4.709 1.00 54.04 O flip ATOM 282 NE2 GLN A 10 12.905 -1.633 -3.077 1.00 41.31 N flip ATOM 0 H GLN A 10 9.981 0.927 -3.807 1.00 32.14 H new ATOM 0 HA GLN A 10 12.842 1.494 -4.127 1.00 23.51 H new ATOM 0 HB2 GLN A 10 10.751 0.514 -6.112 1.00 41.22 H new ATOM 0 HB3 GLN A 10 12.473 0.642 -6.412 1.00 41.22 H new ATOM 0 HG2 GLN A 10 11.006 -1.360 -4.686 1.00 70.53 H new ATOM 0 HG3 GLN A 10 12.054 -1.660 -6.059 1.00 70.53 H new ATOM 0 HE21 GLN A 10 11.953 -1.785 -2.743 1.00 41.31 H new ATOM 0 HE22 GLN A 10 13.696 -1.792 -2.453 1.00 41.31 H new ATOM 291 N SER A 11 10.373 3.163 -5.630 1.00 22.42 N ATOM 292 CA SER A 11 9.998 4.351 -6.396 1.00 54.22 C ATOM 293 C SER A 11 8.481 4.566 -6.355 1.00 43.15 C ATOM 294 O SER A 11 7.735 3.635 -6.041 1.00 65.41 O ATOM 295 CB SER A 11 10.500 4.210 -7.854 1.00 55.50 C ATOM 296 OG SER A 11 11.808 4.727 -7.976 1.00 21.52 O ATOM 0 H SER A 11 9.590 2.529 -5.471 1.00 22.42 H new ATOM 0 HA SER A 11 10.467 5.226 -5.947 1.00 54.22 H new ATOM 0 HB2 SER A 11 10.488 3.161 -8.150 1.00 55.50 H new ATOM 0 HB3 SER A 11 9.828 4.740 -8.530 1.00 55.50 H new ATOM 0 HG SER A 11 12.317 4.525 -7.163 1.00 21.52 H new ATOM 302 N GLN A 12 8.057 5.797 -6.696 1.00 52.11 N ATOM 303 CA GLN A 12 6.653 6.177 -6.790 1.00 10.15 C ATOM 304 C GLN A 12 6.452 7.375 -7.732 1.00 32.44 C ATOM 305 O GLN A 12 7.249 8.313 -7.712 1.00 14.54 O ATOM 306 CB GLN A 12 6.022 6.384 -5.391 1.00 74.31 C ATOM 307 CG GLN A 12 6.485 7.592 -4.546 1.00 73.50 C ATOM 308 CD GLN A 12 7.630 7.315 -3.571 1.00 72.40 C ATOM 309 OE1 GLN A 12 8.696 6.856 -3.966 1.00 42.42 O ATOM 310 NE2 GLN A 12 7.434 7.649 -2.293 1.00 0.03 N ATOM 0 H GLN A 12 8.697 6.560 -6.915 1.00 52.11 H new ATOM 0 HA GLN A 12 6.112 5.346 -7.242 1.00 10.15 H new ATOM 0 HB2 GLN A 12 4.943 6.465 -5.523 1.00 74.31 H new ATOM 0 HB3 GLN A 12 6.205 5.482 -4.808 1.00 74.31 H new ATOM 0 HG2 GLN A 12 6.792 8.390 -5.222 1.00 73.50 H new ATOM 0 HG3 GLN A 12 5.632 7.965 -3.980 1.00 73.50 H new ATOM 0 HE21 GLN A 12 6.535 8.029 -1.997 1.00 0.03 H new ATOM 0 HE22 GLN A 12 8.184 7.525 -1.613 1.00 0.03 H new ATOM 319 N GLU A 13 5.374 7.306 -8.530 1.00 45.34 N ATOM 320 CA GLU A 13 4.980 8.284 -9.549 1.00 24.53 C ATOM 321 C GLU A 13 3.628 8.908 -9.175 1.00 22.40 C ATOM 322 O GLU A 13 2.770 8.212 -8.632 1.00 5.02 O ATOM 323 CB GLU A 13 4.888 7.593 -10.931 1.00 33.31 C ATOM 324 CG GLU A 13 6.215 7.513 -11.716 1.00 43.25 C ATOM 325 CD GLU A 13 7.312 6.694 -11.033 1.00 23.35 C ATOM 326 OE1 GLU A 13 7.095 5.474 -10.862 1.00 25.34 O ATOM 327 OE2 GLU A 13 8.345 7.308 -10.685 1.00 32.21 O1- ATOM 0 H GLU A 13 4.721 6.524 -8.476 1.00 45.34 H new ATOM 0 HA GLU A 13 5.730 9.074 -9.600 1.00 24.53 H new ATOM 0 HB2 GLU A 13 4.507 6.582 -10.789 1.00 33.31 H new ATOM 0 HB3 GLU A 13 4.157 8.127 -11.538 1.00 33.31 H new ATOM 0 HG2 GLU A 13 6.016 7.082 -12.697 1.00 43.25 H new ATOM 0 HG3 GLU A 13 6.585 8.525 -11.882 1.00 43.25 H new ATOM 334 N ASN A 14 3.479 10.215 -9.477 1.00 13.20 N ATOM 335 CA ASN A 14 2.374 11.105 -9.070 1.00 14.42 C ATOM 336 C ASN A 14 2.242 11.210 -7.536 1.00 73.35 C ATOM 337 O ASN A 14 1.132 11.366 -7.026 1.00 12.12 O ATOM 338 CB ASN A 14 1.037 10.729 -9.767 1.00 70.55 C ATOM 339 CG ASN A 14 1.014 11.035 -11.267 1.00 40.33 C ATOM 340 OD1 ASN A 14 1.331 12.147 -11.681 1.00 23.25 O ATOM 341 ND2 ASN A 14 0.602 10.064 -12.084 1.00 12.33 N ATOM 0 H ASN A 14 4.169 10.706 -10.046 1.00 13.20 H new ATOM 0 HA ASN A 14 2.628 12.106 -9.418 1.00 14.42 H new ATOM 0 HB2 ASN A 14 0.848 9.666 -9.620 1.00 70.55 H new ATOM 0 HB3 ASN A 14 0.222 11.268 -9.283 1.00 70.55 H new ATOM 0 HD21 ASN A 14 0.542 10.233 -13.088 1.00 12.33 H new ATOM 0 HD22 ASN A 14 0.347 9.152 -11.705 1.00 12.33 H new ATOM 348 N PHE A 15 3.385 11.143 -6.830 1.00 42.24 N ATOM 349 CA PHE A 15 3.473 11.291 -5.379 1.00 12.22 C ATOM 350 C PHE A 15 3.063 12.683 -4.901 1.00 44.34 C ATOM 351 O PHE A 15 2.264 12.783 -3.977 1.00 11.34 O ATOM 352 CB PHE A 15 4.888 10.909 -4.897 1.00 35.14 C ATOM 353 CG PHE A 15 5.155 11.114 -3.413 1.00 0.45 C ATOM 354 CD1 PHE A 15 4.743 10.153 -2.466 1.00 63.43 C ATOM 355 CD2 PHE A 15 5.633 12.359 -2.950 1.00 61.51 C ATOM 356 CE1 PHE A 15 4.897 10.397 -1.108 1.00 31.02 C ATOM 357 CE2 PHE A 15 5.748 12.594 -1.588 1.00 10.43 C ATOM 358 CZ PHE A 15 5.402 11.613 -0.672 1.00 3.43 C ATOM 0 H PHE A 15 4.291 10.980 -7.270 1.00 42.24 H new ATOM 0 HA PHE A 15 2.755 10.605 -4.930 1.00 12.22 H new ATOM 0 HB2 PHE A 15 5.064 9.861 -5.138 1.00 35.14 H new ATOM 0 HB3 PHE A 15 5.615 11.492 -5.463 1.00 35.14 H new ATOM 0 HD1 PHE A 15 4.306 9.223 -2.799 1.00 63.43 H new ATOM 0 HD2 PHE A 15 5.909 13.128 -3.656 1.00 61.51 H new ATOM 0 HE1 PHE A 15 4.623 9.638 -0.390 1.00 31.02 H new ATOM 0 HE2 PHE A 15 6.110 13.549 -1.238 1.00 10.43 H new ATOM 0 HZ PHE A 15 5.526 11.796 0.385 1.00 3.43 H new ATOM 368 N GLU A 16 3.615 13.719 -5.552 1.00 1.55 N ATOM 369 CA GLU A 16 3.387 15.129 -5.245 1.00 11.22 C ATOM 370 C GLU A 16 1.915 15.521 -5.433 1.00 51.52 C ATOM 371 O GLU A 16 1.375 16.228 -4.587 1.00 62.13 O ATOM 372 CB GLU A 16 4.302 16.050 -6.088 1.00 73.44 C ATOM 373 CG GLU A 16 5.785 15.629 -6.222 1.00 44.03 C ATOM 374 CD GLU A 16 6.095 14.634 -7.355 1.00 73.15 C ATOM 375 OE1 GLU A 16 7.294 14.533 -7.688 1.00 1.33 O ATOM 376 OE2 GLU A 16 5.150 13.994 -7.871 1.00 53.41 O1- ATOM 0 H GLU A 16 4.255 13.586 -6.335 1.00 1.55 H new ATOM 0 HA GLU A 16 3.641 15.266 -4.194 1.00 11.22 H new ATOM 0 HB2 GLU A 16 3.878 16.124 -7.090 1.00 73.44 H new ATOM 0 HB3 GLU A 16 4.271 17.049 -5.654 1.00 73.44 H new ATOM 0 HG2 GLU A 16 6.386 16.525 -6.376 1.00 44.03 H new ATOM 0 HG3 GLU A 16 6.106 15.188 -5.278 1.00 44.03 H new ATOM 383 N ALA A 17 1.302 15.010 -6.516 1.00 1.05 N ATOM 384 CA ALA A 17 -0.110 15.173 -6.848 1.00 12.24 C ATOM 385 C ALA A 17 -1.050 14.482 -5.847 1.00 4.04 C ATOM 386 O ALA A 17 -2.037 15.095 -5.448 1.00 65.25 O ATOM 387 CB ALA A 17 -0.354 14.650 -8.271 1.00 32.13 C ATOM 0 H ALA A 17 1.804 14.451 -7.206 1.00 1.05 H new ATOM 0 HA ALA A 17 -0.342 16.236 -6.791 1.00 12.24 H new ATOM 0 HB1 ALA A 17 -1.407 14.768 -8.527 1.00 32.13 H new ATOM 0 HB2 ALA A 17 0.256 15.215 -8.976 1.00 32.13 H new ATOM 0 HB3 ALA A 17 -0.085 13.595 -8.322 1.00 32.13 H new ATOM 393 N PHE A 18 -0.720 13.237 -5.461 1.00 52.01 N ATOM 394 CA PHE A 18 -1.524 12.399 -4.572 1.00 64.21 C ATOM 395 C PHE A 18 -1.440 12.811 -3.099 1.00 44.51 C ATOM 396 O PHE A 18 -2.472 12.838 -2.432 1.00 52.34 O ATOM 397 CB PHE A 18 -1.132 10.926 -4.785 1.00 12.02 C ATOM 398 CG PHE A 18 -1.936 9.899 -4.006 1.00 33.13 C ATOM 399 CD1 PHE A 18 -3.200 9.485 -4.480 1.00 2.05 C ATOM 400 CD2 PHE A 18 -1.495 9.447 -2.745 1.00 22.11 C ATOM 401 CE1 PHE A 18 -3.955 8.585 -3.742 1.00 10.12 C ATOM 402 CE2 PHE A 18 -2.270 8.554 -2.018 1.00 65.33 C ATOM 403 CZ PHE A 18 -3.489 8.120 -2.518 1.00 10.15 C ATOM 0 H PHE A 18 0.137 12.779 -5.770 1.00 52.01 H new ATOM 0 HA PHE A 18 -2.572 12.539 -4.835 1.00 64.21 H new ATOM 0 HB2 PHE A 18 -1.222 10.698 -5.847 1.00 12.02 H new ATOM 0 HB3 PHE A 18 -0.081 10.810 -4.522 1.00 12.02 H new ATOM 0 HD1 PHE A 18 -3.579 9.869 -5.416 1.00 2.05 H new ATOM 0 HD2 PHE A 18 -0.554 9.796 -2.345 1.00 22.11 H new ATOM 0 HE1 PHE A 18 -4.908 8.245 -4.120 1.00 10.12 H new ATOM 0 HE2 PHE A 18 -1.923 8.196 -1.060 1.00 65.33 H new ATOM 0 HZ PHE A 18 -4.080 7.416 -1.952 1.00 10.15 H new ATOM 413 N MET A 19 -0.225 13.143 -2.630 1.00 62.31 N ATOM 414 CA MET A 19 0.033 13.610 -1.270 1.00 51.31 C ATOM 415 C MET A 19 -0.534 15.026 -1.021 1.00 14.44 C ATOM 416 O MET A 19 -0.901 15.336 0.111 1.00 65.41 O ATOM 417 CB MET A 19 1.541 13.493 -0.947 1.00 62.30 C ATOM 418 CG MET A 19 1.826 13.218 0.542 1.00 22.14 C ATOM 419 SD MET A 19 2.252 11.509 0.999 1.00 35.13 S ATOM 420 CE MET A 19 0.999 10.523 0.135 1.00 52.42 C ATOM 0 H MET A 19 0.618 13.091 -3.202 1.00 62.31 H new ATOM 0 HA MET A 19 -0.502 12.964 -0.574 1.00 51.31 H new ATOM 0 HB2 MET A 19 1.973 12.691 -1.546 1.00 62.30 H new ATOM 0 HB3 MET A 19 2.041 14.416 -1.241 1.00 62.30 H new ATOM 0 HG2 MET A 19 2.644 13.867 0.856 1.00 22.14 H new ATOM 0 HG3 MET A 19 0.947 13.513 1.115 1.00 22.14 H new ATOM 0 HE1 MET A 19 1.084 9.480 0.439 1.00 52.42 H new ATOM 0 HE2 MET A 19 0.006 10.895 0.387 1.00 52.42 H new ATOM 0 HE3 MET A 19 1.153 10.601 -0.941 1.00 52.42 H new ATOM 430 N LYS A 20 -0.659 15.836 -2.086 1.00 1.35 N ATOM 431 CA LYS A 20 -1.371 17.115 -2.089 1.00 40.15 C ATOM 432 C LYS A 20 -2.900 16.927 -2.111 1.00 62.15 C ATOM 433 O LYS A 20 -3.596 17.680 -1.430 1.00 53.14 O ATOM 434 CB LYS A 20 -0.844 17.959 -3.272 1.00 35.11 C ATOM 435 CG LYS A 20 -1.558 19.299 -3.555 1.00 52.34 C ATOM 436 CD LYS A 20 -2.447 19.262 -4.809 1.00 1.33 C ATOM 437 CE LYS A 20 -1.639 19.233 -6.119 1.00 34.32 C ATOM 438 NZ LYS A 20 -2.516 19.067 -7.290 1.00 60.21 N1+ ATOM 0 H LYS A 20 -0.253 15.607 -2.993 1.00 1.35 H new ATOM 0 HA LYS A 20 -1.174 17.652 -1.161 1.00 40.15 H new ATOM 0 HB2 LYS A 20 0.211 18.169 -3.094 1.00 35.11 H new ATOM 0 HB3 LYS A 20 -0.900 17.349 -4.174 1.00 35.11 H new ATOM 0 HG2 LYS A 20 -2.169 19.566 -2.693 1.00 52.34 H new ATOM 0 HG3 LYS A 20 -0.810 20.084 -3.671 1.00 52.34 H new ATOM 0 HD2 LYS A 20 -3.090 18.383 -4.766 1.00 1.33 H new ATOM 0 HD3 LYS A 20 -3.100 20.135 -4.811 1.00 1.33 H new ATOM 0 HE2 LYS A 20 -1.070 20.157 -6.217 1.00 34.32 H new ATOM 0 HE3 LYS A 20 -0.917 18.417 -6.085 1.00 34.32 H new ATOM 0 HZ1 LYS A 20 -1.940 19.052 -8.156 1.00 60.21 H new ATOM 0 HZ2 LYS A 20 -3.040 18.173 -7.207 1.00 60.21 H new ATOM 0 HZ3 LYS A 20 -3.188 19.859 -7.336 1.00 60.21 H new ATOM 452 N ALA A 21 -3.391 15.933 -2.875 1.00 12.13 N ATOM 453 CA ALA A 21 -4.818 15.638 -3.047 1.00 12.14 C ATOM 454 C ALA A 21 -5.514 15.106 -1.783 1.00 25.12 C ATOM 455 O ALA A 21 -6.693 15.406 -1.594 1.00 2.15 O ATOM 456 CB ALA A 21 -5.012 14.670 -4.222 1.00 42.34 C ATOM 0 H ALA A 21 -2.788 15.300 -3.401 1.00 12.13 H new ATOM 0 HA ALA A 21 -5.302 16.591 -3.260 1.00 12.14 H new ATOM 0 HB1 ALA A 21 -6.073 14.455 -4.345 1.00 42.34 H new ATOM 0 HB2 ALA A 21 -4.626 15.124 -5.135 1.00 42.34 H new ATOM 0 HB3 ALA A 21 -4.475 13.743 -4.022 1.00 42.34 H new ATOM 462 N ILE A 22 -4.784 14.365 -0.930 1.00 75.12 N ATOM 463 CA ILE A 22 -5.266 13.930 0.385 1.00 35.51 C ATOM 464 C ILE A 22 -5.260 15.056 1.443 1.00 73.45 C ATOM 465 O ILE A 22 -6.020 14.956 2.406 1.00 23.31 O ATOM 466 CB ILE A 22 -4.446 12.735 0.946 1.00 70.33 C ATOM 467 CG1 ILE A 22 -2.938 13.048 1.085 1.00 10.22 C ATOM 468 CG2 ILE A 22 -4.699 11.459 0.121 1.00 12.01 C ATOM 469 CD1 ILE A 22 -2.146 12.015 1.876 1.00 1.15 C ATOM 0 H ILE A 22 -3.836 14.051 -1.139 1.00 75.12 H new ATOM 0 HA ILE A 22 -6.296 13.623 0.206 1.00 35.51 H new ATOM 0 HB ILE A 22 -4.802 12.555 1.960 1.00 70.33 H new ATOM 0 HG12 ILE A 22 -2.505 13.133 0.088 1.00 10.22 H new ATOM 0 HG13 ILE A 22 -2.825 14.020 1.566 1.00 10.22 H new ATOM 0 HG21 ILE A 22 -4.114 10.637 0.533 1.00 12.01 H new ATOM 0 HG22 ILE A 22 -5.758 11.205 0.159 1.00 12.01 H new ATOM 0 HG23 ILE A 22 -4.404 11.631 -0.914 1.00 12.01 H new ATOM 0 HD11 ILE A 22 -1.099 12.316 1.922 1.00 1.15 H new ATOM 0 HD12 ILE A 22 -2.548 11.944 2.887 1.00 1.15 H new ATOM 0 HD13 ILE A 22 -2.223 11.044 1.386 1.00 1.15 H new ATOM 481 N GLY A 23 -4.442 16.104 1.240 1.00 70.33 N ATOM 482 CA GLY A 23 -4.395 17.277 2.110 1.00 22.51 C ATOM 483 C GLY A 23 -3.262 17.215 3.147 1.00 33.33 C ATOM 484 O GLY A 23 -3.369 17.897 4.167 1.00 32.51 O ATOM 0 H GLY A 23 -3.791 16.154 0.457 1.00 70.33 H new ATOM 0 HA2 GLY A 23 -4.271 18.171 1.498 1.00 22.51 H new ATOM 0 HA3 GLY A 23 -5.349 17.376 2.628 1.00 22.51 H new ATOM 488 N LEU A 24 -2.178 16.451 2.905 1.00 51.21 N ATOM 489 CA LEU A 24 -0.930 16.552 3.680 1.00 40.21 C ATOM 490 C LEU A 24 -0.228 17.894 3.352 1.00 64.14 C ATOM 491 O LEU A 24 -0.293 18.326 2.199 1.00 12.25 O ATOM 492 CB LEU A 24 0.002 15.353 3.351 1.00 21.34 C ATOM 493 CG LEU A 24 0.133 14.307 4.480 1.00 34.32 C ATOM 494 CD1 LEU A 24 -1.210 13.633 4.815 1.00 54.24 C ATOM 495 CD2 LEU A 24 1.246 13.282 4.180 1.00 73.21 C ATOM 0 H LEU A 24 -2.145 15.748 2.167 1.00 51.21 H new ATOM 0 HA LEU A 24 -1.160 16.523 4.745 1.00 40.21 H new ATOM 0 HB2 LEU A 24 -0.371 14.856 2.455 1.00 21.34 H new ATOM 0 HB3 LEU A 24 0.994 15.737 3.113 1.00 21.34 H new ATOM 0 HG LEU A 24 0.432 14.847 5.379 1.00 34.32 H new ATOM 0 HD11 LEU A 24 -1.063 12.907 5.614 1.00 54.24 H new ATOM 0 HD12 LEU A 24 -1.926 14.389 5.138 1.00 54.24 H new ATOM 0 HD13 LEU A 24 -1.593 13.126 3.930 1.00 54.24 H new ATOM 0 HD21 LEU A 24 1.308 12.563 4.997 1.00 73.21 H new ATOM 0 HD22 LEU A 24 1.018 12.758 3.252 1.00 73.21 H new ATOM 0 HD23 LEU A 24 2.200 13.800 4.079 1.00 73.21 H new ATOM 507 N PRO A 25 0.423 18.533 4.355 1.00 71.41 N ATOM 508 CA PRO A 25 1.118 19.819 4.154 1.00 32.11 C ATOM 509 C PRO A 25 2.307 19.683 3.191 1.00 31.01 C ATOM 510 O PRO A 25 3.033 18.693 3.287 1.00 43.43 O ATOM 511 CB PRO A 25 1.567 20.212 5.572 1.00 31.20 C ATOM 512 CG PRO A 25 1.732 18.893 6.306 1.00 71.02 C ATOM 513 CD PRO A 25 0.613 18.038 5.722 1.00 65.43 C ATOM 0 HA PRO A 25 0.481 20.574 3.692 1.00 32.11 H new ATOM 0 HB2 PRO A 25 2.502 20.772 5.550 1.00 31.20 H new ATOM 0 HB3 PRO A 25 0.827 20.846 6.060 1.00 31.20 H new ATOM 0 HG2 PRO A 25 2.713 18.452 6.129 1.00 71.02 H new ATOM 0 HG3 PRO A 25 1.627 19.014 7.384 1.00 71.02 H new ATOM 0 HD2 PRO A 25 0.883 16.982 5.724 1.00 65.43 H new ATOM 0 HD3 PRO A 25 -0.302 18.135 6.306 1.00 65.43 H new ATOM 521 N GLU A 26 2.466 20.666 2.284 1.00 4.45 N ATOM 522 CA GLU A 26 3.494 20.702 1.231 1.00 4.32 C ATOM 523 C GLU A 26 4.930 20.465 1.733 1.00 42.12 C ATOM 524 O GLU A 26 5.720 19.865 1.009 1.00 64.11 O ATOM 525 CB GLU A 26 3.386 22.016 0.423 1.00 30.35 C ATOM 526 CG GLU A 26 4.370 22.112 -0.769 1.00 51.21 C ATOM 527 CD GLU A 26 4.323 23.454 -1.495 1.00 74.13 C ATOM 528 OE1 GLU A 26 4.411 24.486 -0.794 1.00 53.40 O ATOM 529 OE2 GLU A 26 4.239 23.424 -2.742 1.00 73.13 O1- ATOM 0 H GLU A 26 1.859 21.486 2.266 1.00 4.45 H new ATOM 0 HA GLU A 26 3.287 19.855 0.577 1.00 4.32 H new ATOM 0 HB2 GLU A 26 2.368 22.116 0.048 1.00 30.35 H new ATOM 0 HB3 GLU A 26 3.562 22.857 1.094 1.00 30.35 H new ATOM 0 HG2 GLU A 26 5.384 21.940 -0.407 1.00 51.21 H new ATOM 0 HG3 GLU A 26 4.146 21.316 -1.479 1.00 51.21 H new ATOM 536 N GLU A 27 5.222 20.890 2.971 1.00 23.43 N ATOM 537 CA GLU A 27 6.495 20.679 3.650 1.00 42.32 C ATOM 538 C GLU A 27 6.852 19.182 3.761 1.00 60.41 C ATOM 539 O GLU A 27 7.939 18.796 3.343 1.00 20.41 O ATOM 540 CB GLU A 27 6.433 21.377 5.028 1.00 44.32 C ATOM 541 CG GLU A 27 7.803 21.731 5.633 1.00 65.14 C ATOM 542 CD GLU A 27 8.507 22.832 4.836 1.00 54.33 C ATOM 543 OE1 GLU A 27 8.078 23.997 4.979 1.00 1.32 O ATOM 544 OE2 GLU A 27 9.446 22.484 4.088 1.00 2.33 O1- ATOM 0 H GLU A 27 4.552 21.407 3.540 1.00 23.43 H new ATOM 0 HA GLU A 27 7.300 21.121 3.062 1.00 42.32 H new ATOM 0 HB2 GLU A 27 5.847 22.291 4.931 1.00 44.32 H new ATOM 0 HB3 GLU A 27 5.900 20.729 5.724 1.00 44.32 H new ATOM 0 HG2 GLU A 27 7.672 22.056 6.665 1.00 65.14 H new ATOM 0 HG3 GLU A 27 8.431 20.841 5.657 1.00 65.14 H new ATOM 551 N LEU A 28 5.900 18.361 4.239 1.00 0.12 N ATOM 552 CA LEU A 28 6.022 16.903 4.332 1.00 12.23 C ATOM 553 C LEU A 28 5.904 16.173 2.982 1.00 43.24 C ATOM 554 O LEU A 28 6.340 15.025 2.911 1.00 61.10 O ATOM 555 CB LEU A 28 4.988 16.350 5.339 1.00 51.32 C ATOM 556 CG LEU A 28 5.225 16.777 6.806 1.00 2.11 C ATOM 557 CD1 LEU A 28 4.059 16.316 7.707 1.00 52.22 C ATOM 558 CD2 LEU A 28 6.598 16.311 7.344 1.00 72.24 C ATOM 0 H LEU A 28 5.003 18.707 4.579 1.00 0.12 H new ATOM 0 HA LEU A 28 7.034 16.705 4.685 1.00 12.23 H new ATOM 0 HB2 LEU A 28 3.994 16.678 5.035 1.00 51.32 H new ATOM 0 HB3 LEU A 28 4.995 15.261 5.286 1.00 51.32 H new ATOM 0 HG LEU A 28 5.251 17.866 6.828 1.00 2.11 H new ATOM 0 HD11 LEU A 28 4.248 16.628 8.734 1.00 52.22 H new ATOM 0 HD12 LEU A 28 3.129 16.764 7.357 1.00 52.22 H new ATOM 0 HD13 LEU A 28 3.976 15.230 7.667 1.00 52.22 H new ATOM 0 HD21 LEU A 28 6.713 16.637 8.378 1.00 72.24 H new ATOM 0 HD22 LEU A 28 6.657 15.224 7.298 1.00 72.24 H new ATOM 0 HD23 LEU A 28 7.393 16.744 6.736 1.00 72.24 H new ATOM 570 N ILE A 29 5.368 16.828 1.934 1.00 60.55 N ATOM 571 CA ILE A 29 5.397 16.303 0.564 1.00 71.25 C ATOM 572 C ILE A 29 6.823 16.408 -0.007 1.00 13.24 C ATOM 573 O ILE A 29 7.379 15.395 -0.425 1.00 22.23 O ATOM 574 CB ILE A 29 4.419 17.031 -0.413 1.00 2.25 C ATOM 575 CG1 ILE A 29 2.969 17.012 0.117 1.00 22.34 C ATOM 576 CG2 ILE A 29 4.476 16.454 -1.849 1.00 52.45 C ATOM 577 CD1 ILE A 29 1.973 17.788 -0.755 1.00 11.22 C ATOM 0 H ILE A 29 4.905 17.733 2.018 1.00 60.55 H new ATOM 0 HA ILE A 29 5.071 15.266 0.637 1.00 71.25 H new ATOM 0 HB ILE A 29 4.755 18.067 -0.463 1.00 2.25 H new ATOM 0 HG12 ILE A 29 2.636 15.977 0.197 1.00 22.34 H new ATOM 0 HG13 ILE A 29 2.956 17.429 1.124 1.00 22.34 H new ATOM 0 HG21 ILE A 29 3.777 16.996 -2.487 1.00 52.45 H new ATOM 0 HG22 ILE A 29 5.486 16.561 -2.244 1.00 52.45 H new ATOM 0 HG23 ILE A 29 4.205 15.399 -1.828 1.00 52.45 H new ATOM 0 HD11 ILE A 29 0.978 17.726 -0.314 1.00 11.22 H new ATOM 0 HD12 ILE A 29 2.279 18.833 -0.815 1.00 11.22 H new ATOM 0 HD13 ILE A 29 1.954 17.358 -1.756 1.00 11.22 H new ATOM 589 N GLN A 30 7.400 17.623 0.010 1.00 32.25 N ATOM 590 CA GLN A 30 8.717 17.907 -0.564 1.00 61.21 C ATOM 591 C GLN A 30 9.889 17.276 0.213 1.00 51.51 C ATOM 592 O GLN A 30 10.923 17.008 -0.398 1.00 1.33 O ATOM 593 CB GLN A 30 8.906 19.432 -0.736 1.00 10.35 C ATOM 594 CG GLN A 30 7.878 20.150 -1.643 1.00 51.13 C ATOM 595 CD GLN A 30 7.620 19.481 -2.995 1.00 55.11 C ATOM 596 OE1 GLN A 30 8.554 19.164 -3.728 1.00 12.32 O ATOM 597 NE2 GLN A 30 6.347 19.284 -3.346 1.00 72.51 N ATOM 0 H GLN A 30 6.956 18.440 0.428 1.00 32.25 H new ATOM 0 HA GLN A 30 8.738 17.429 -1.543 1.00 61.21 H new ATOM 0 HB2 GLN A 30 8.874 19.895 0.250 1.00 10.35 H new ATOM 0 HB3 GLN A 30 9.903 19.610 -1.140 1.00 10.35 H new ATOM 0 HG2 GLN A 30 6.932 20.223 -1.106 1.00 51.13 H new ATOM 0 HG3 GLN A 30 8.223 21.169 -1.820 1.00 51.13 H new ATOM 0 HE21 GLN A 30 5.595 19.559 -2.714 1.00 72.51 H new ATOM 0 HE22 GLN A 30 6.126 18.859 -4.246 1.00 72.51 H new ATOM 606 N LYS A 31 9.700 17.014 1.516 1.00 43.00 N ATOM 607 CA LYS A 31 10.642 16.272 2.355 1.00 3.12 C ATOM 608 C LYS A 31 10.457 14.748 2.221 1.00 74.44 C ATOM 609 O LYS A 31 11.455 14.029 2.232 1.00 12.13 O ATOM 610 CB LYS A 31 10.480 16.714 3.826 1.00 33.32 C ATOM 611 CG LYS A 31 10.930 18.168 4.085 1.00 45.12 C ATOM 612 CD LYS A 31 10.470 18.727 5.445 1.00 12.15 C ATOM 613 CE LYS A 31 11.187 18.139 6.668 1.00 65.13 C ATOM 614 NZ LYS A 31 12.596 18.560 6.722 1.00 3.44 N1+ ATOM 0 H LYS A 31 8.869 17.320 2.022 1.00 43.00 H new ATOM 0 HA LYS A 31 11.652 16.500 2.015 1.00 3.12 H new ATOM 0 HB2 LYS A 31 9.435 16.608 4.116 1.00 33.32 H new ATOM 0 HB3 LYS A 31 11.057 16.044 4.464 1.00 33.32 H new ATOM 0 HG2 LYS A 31 12.018 18.217 4.031 1.00 45.12 H new ATOM 0 HG3 LYS A 31 10.542 18.806 3.290 1.00 45.12 H new ATOM 0 HD2 LYS A 31 10.614 19.807 5.444 1.00 12.15 H new ATOM 0 HD3 LYS A 31 9.400 18.549 5.550 1.00 12.15 H new ATOM 0 HE2 LYS A 31 10.677 18.456 7.577 1.00 65.13 H new ATOM 0 HE3 LYS A 31 11.132 17.051 6.635 1.00 65.13 H new ATOM 0 HZ1 LYS A 31 13.028 18.215 7.603 1.00 3.44 H new ATOM 0 HZ2 LYS A 31 13.108 18.164 5.908 1.00 3.44 H new ATOM 0 HZ3 LYS A 31 12.649 19.598 6.693 1.00 3.44 H new ATOM 628 N GLY A 32 9.198 14.284 2.108 1.00 50.40 N ATOM 629 CA GLY A 32 8.835 12.867 2.166 1.00 15.11 C ATOM 630 C GLY A 32 9.068 12.114 0.847 1.00 24.21 C ATOM 631 O GLY A 32 9.230 10.895 0.891 1.00 34.34 O ATOM 0 H GLY A 32 8.396 14.899 1.972 1.00 50.40 H new ATOM 0 HA2 GLY A 32 9.412 12.386 2.956 1.00 15.11 H new ATOM 0 HA3 GLY A 32 7.784 12.782 2.442 1.00 15.11 H new ATOM 635 N LYS A 33 9.107 12.813 -0.304 1.00 12.04 N ATOM 636 CA LYS A 33 9.374 12.235 -1.630 1.00 4.24 C ATOM 637 C LYS A 33 10.774 11.599 -1.757 1.00 31.01 C ATOM 638 O LYS A 33 10.921 10.595 -2.454 1.00 75.03 O ATOM 639 CB LYS A 33 9.137 13.299 -2.733 1.00 50.23 C ATOM 640 CG LYS A 33 10.018 14.560 -2.643 1.00 63.12 C ATOM 641 CD LYS A 33 9.916 15.462 -3.885 1.00 33.54 C ATOM 642 CE LYS A 33 10.747 16.756 -3.798 1.00 3.24 C ATOM 643 NZ LYS A 33 12.173 16.506 -3.525 1.00 40.25 N1+ ATOM 0 H LYS A 33 8.949 13.820 -0.335 1.00 12.04 H new ATOM 0 HA LYS A 33 8.669 11.414 -1.763 1.00 4.24 H new ATOM 0 HB2 LYS A 33 9.301 12.832 -3.704 1.00 50.23 H new ATOM 0 HB3 LYS A 33 8.091 13.605 -2.699 1.00 50.23 H new ATOM 0 HG2 LYS A 33 9.731 15.133 -1.761 1.00 63.12 H new ATOM 0 HG3 LYS A 33 11.057 14.260 -2.504 1.00 63.12 H new ATOM 0 HD2 LYS A 33 10.238 14.895 -4.759 1.00 33.54 H new ATOM 0 HD3 LYS A 33 8.870 15.725 -4.043 1.00 33.54 H new ATOM 0 HE2 LYS A 33 10.653 17.306 -4.735 1.00 3.24 H new ATOM 0 HE3 LYS A 33 10.338 17.392 -3.013 1.00 3.24 H new ATOM 0 HZ1 LYS A 33 12.403 16.822 -2.561 1.00 40.25 H new ATOM 0 HZ2 LYS A 33 12.370 15.488 -3.612 1.00 40.25 H new ATOM 0 HZ3 LYS A 33 12.755 17.030 -4.209 1.00 40.25 H new ATOM 657 N ASP A 34 11.760 12.198 -1.072 1.00 62.15 N ATOM 658 CA ASP A 34 13.172 11.807 -1.077 1.00 21.33 C ATOM 659 C ASP A 34 13.476 10.645 -0.119 1.00 71.54 C ATOM 660 O ASP A 34 14.493 9.978 -0.309 1.00 72.31 O ATOM 661 CB ASP A 34 14.102 13.007 -0.775 1.00 41.55 C ATOM 662 CG ASP A 34 13.833 14.232 -1.656 1.00 64.03 C ATOM 663 OD1 ASP A 34 13.837 15.354 -1.107 1.00 3.04 O ATOM 664 OD2 ASP A 34 13.679 14.038 -2.882 1.00 22.15 O1- ATOM 0 H ASP A 34 11.583 13.005 -0.473 1.00 62.15 H new ATOM 0 HA ASP A 34 13.375 11.455 -2.089 1.00 21.33 H new ATOM 0 HB2 ASP A 34 13.987 13.290 0.271 1.00 41.55 H new ATOM 0 HB3 ASP A 34 15.138 12.695 -0.908 1.00 41.55 H new ATOM 669 N ILE A 35 12.601 10.417 0.877 1.00 31.14 N ATOM 670 CA ILE A 35 12.736 9.346 1.858 1.00 55.24 C ATOM 671 C ILE A 35 12.004 8.094 1.336 1.00 62.22 C ATOM 672 O ILE A 35 10.784 7.986 1.475 1.00 12.45 O ATOM 673 CB ILE A 35 12.157 9.748 3.251 1.00 1.50 C ATOM 674 CG1 ILE A 35 12.751 11.071 3.790 1.00 2.13 C ATOM 675 CG2 ILE A 35 12.296 8.625 4.306 1.00 34.10 C ATOM 676 CD1 ILE A 35 14.273 11.078 3.992 1.00 60.03 C ATOM 0 H ILE A 35 11.767 10.988 1.018 1.00 31.14 H new ATOM 0 HA ILE A 35 13.798 9.143 1.993 1.00 55.24 H new ATOM 0 HB ILE A 35 11.093 9.910 3.077 1.00 1.50 H new ATOM 0 HG12 ILE A 35 12.490 11.874 3.101 1.00 2.13 H new ATOM 0 HG13 ILE A 35 12.274 11.301 4.743 1.00 2.13 H new ATOM 0 HG21 ILE A 35 11.876 8.962 5.254 1.00 34.10 H new ATOM 0 HG22 ILE A 35 11.760 7.739 3.967 1.00 34.10 H new ATOM 0 HG23 ILE A 35 13.350 8.382 4.442 1.00 34.10 H new ATOM 0 HD11 ILE A 35 14.585 12.051 4.372 1.00 60.03 H new ATOM 0 HD12 ILE A 35 14.549 10.303 4.708 1.00 60.03 H new ATOM 0 HD13 ILE A 35 14.767 10.885 3.040 1.00 60.03 H new ATOM 688 N LYS A 36 12.778 7.165 0.747 1.00 74.41 N ATOM 689 CA LYS A 36 12.308 5.830 0.387 1.00 33.25 C ATOM 690 C LYS A 36 12.267 4.967 1.655 1.00 45.41 C ATOM 691 O LYS A 36 13.318 4.566 2.158 1.00 40.12 O ATOM 692 CB LYS A 36 13.215 5.185 -0.683 1.00 5.55 C ATOM 693 CG LYS A 36 13.142 5.836 -2.074 1.00 63.32 C ATOM 694 CD LYS A 36 14.256 6.863 -2.318 1.00 41.44 C ATOM 695 CE LYS A 36 14.193 7.479 -3.719 1.00 21.10 C ATOM 696 NZ LYS A 36 15.348 8.359 -3.965 1.00 52.24 N1+ ATOM 0 H LYS A 36 13.756 7.329 0.508 1.00 74.41 H new ATOM 0 HA LYS A 36 11.309 5.905 -0.043 1.00 33.25 H new ATOM 0 HB2 LYS A 36 14.247 5.223 -0.334 1.00 5.55 H new ATOM 0 HB3 LYS A 36 12.949 4.132 -0.777 1.00 5.55 H new ATOM 0 HG2 LYS A 36 13.200 5.059 -2.836 1.00 63.32 H new ATOM 0 HG3 LYS A 36 12.174 6.324 -2.190 1.00 63.32 H new ATOM 0 HD2 LYS A 36 14.184 7.656 -1.573 1.00 41.44 H new ATOM 0 HD3 LYS A 36 15.225 6.383 -2.180 1.00 41.44 H new ATOM 0 HE2 LYS A 36 14.170 6.687 -4.467 1.00 21.10 H new ATOM 0 HE3 LYS A 36 13.269 8.047 -3.828 1.00 21.10 H new ATOM 0 HZ1 LYS A 36 15.280 8.763 -4.921 1.00 52.24 H new ATOM 0 HZ2 LYS A 36 15.354 9.128 -3.264 1.00 52.24 H new ATOM 0 HZ3 LYS A 36 16.227 7.809 -3.883 1.00 52.24 H new ATOM 710 N GLY A 37 11.047 4.728 2.154 1.00 23.34 N ATOM 711 CA GLY A 37 10.800 3.979 3.379 1.00 45.33 C ATOM 712 C GLY A 37 10.724 2.474 3.103 1.00 41.21 C ATOM 713 O GLY A 37 11.348 1.955 2.177 1.00 4.23 O ATOM 0 H GLY A 37 10.193 5.059 1.705 1.00 23.34 H new ATOM 0 HA2 GLY A 37 11.595 4.180 4.098 1.00 45.33 H new ATOM 0 HA3 GLY A 37 9.868 4.316 3.832 1.00 45.33 H new ATOM 717 N VAL A 38 9.970 1.778 3.962 1.00 63.12 N ATOM 718 CA VAL A 38 9.748 0.338 3.926 1.00 63.14 C ATOM 719 C VAL A 38 8.263 0.054 4.204 1.00 60.44 C ATOM 720 O VAL A 38 7.647 0.739 5.018 1.00 44.23 O ATOM 721 CB VAL A 38 10.620 -0.395 4.998 1.00 70.34 C ATOM 722 CG1 VAL A 38 10.349 -1.909 5.133 1.00 54.02 C ATOM 723 CG2 VAL A 38 12.128 -0.178 4.768 1.00 31.32 C ATOM 0 H VAL A 38 9.478 2.229 4.734 1.00 63.12 H new ATOM 0 HA VAL A 38 10.031 -0.032 2.941 1.00 63.14 H new ATOM 0 HB VAL A 38 10.312 0.070 5.934 1.00 70.34 H new ATOM 0 HG11 VAL A 38 11.001 -2.328 5.900 1.00 54.02 H new ATOM 0 HG12 VAL A 38 9.308 -2.069 5.415 1.00 54.02 H new ATOM 0 HG13 VAL A 38 10.547 -2.400 4.180 1.00 54.02 H new ATOM 0 HG21 VAL A 38 12.693 -0.706 5.537 1.00 31.32 H new ATOM 0 HG22 VAL A 38 12.405 -0.562 3.786 1.00 31.32 H new ATOM 0 HG23 VAL A 38 12.354 0.887 4.818 1.00 31.32 H new ATOM 733 N SER A 39 7.735 -0.980 3.541 1.00 2.42 N ATOM 734 CA SER A 39 6.439 -1.590 3.820 1.00 44.24 C ATOM 735 C SER A 39 6.676 -3.003 4.370 1.00 54.13 C ATOM 736 O SER A 39 7.676 -3.633 4.032 1.00 2.40 O ATOM 737 CB SER A 39 5.615 -1.629 2.523 1.00 2.01 C ATOM 738 OG SER A 39 5.198 -0.322 2.182 1.00 13.42 O ATOM 0 H SER A 39 8.221 -1.430 2.765 1.00 2.42 H new ATOM 0 HA SER A 39 5.885 -1.012 4.560 1.00 44.24 H new ATOM 0 HB2 SER A 39 6.211 -2.053 1.715 1.00 2.01 H new ATOM 0 HB3 SER A 39 4.747 -2.276 2.652 1.00 2.01 H new ATOM 0 HG SER A 39 4.675 -0.351 1.354 1.00 13.42 H new ATOM 744 N GLU A 40 5.763 -3.481 5.222 1.00 10.33 N ATOM 745 CA GLU A 40 5.880 -4.775 5.886 1.00 32.53 C ATOM 746 C GLU A 40 4.478 -5.365 6.045 1.00 52.00 C ATOM 747 O GLU A 40 3.611 -4.728 6.635 1.00 5.23 O ATOM 748 CB GLU A 40 6.666 -4.602 7.203 1.00 74.12 C ATOM 749 CG GLU A 40 6.875 -5.897 8.009 1.00 23.34 C ATOM 750 CD GLU A 40 7.668 -5.643 9.292 1.00 35.54 C ATOM 751 OE1 GLU A 40 8.768 -5.058 9.189 1.00 3.21 O ATOM 752 OE2 GLU A 40 7.157 -6.041 10.362 1.00 73.21 O1- ATOM 0 H GLU A 40 4.915 -2.972 5.470 1.00 10.33 H new ATOM 0 HA GLU A 40 6.451 -5.493 5.298 1.00 32.53 H new ATOM 0 HB2 GLU A 40 7.641 -4.173 6.973 1.00 74.12 H new ATOM 0 HB3 GLU A 40 6.141 -3.882 7.830 1.00 74.12 H new ATOM 0 HG2 GLU A 40 5.907 -6.330 8.259 1.00 23.34 H new ATOM 0 HG3 GLU A 40 7.401 -6.627 7.394 1.00 23.34 H new ATOM 759 N ILE A 41 4.282 -6.553 5.464 1.00 61.23 N ATOM 760 CA ILE A 41 2.975 -7.182 5.293 1.00 42.43 C ATOM 761 C ILE A 41 2.966 -8.504 6.086 1.00 63.52 C ATOM 762 O ILE A 41 4.021 -9.123 6.234 1.00 75.40 O ATOM 763 CB ILE A 41 2.718 -7.487 3.784 1.00 2.44 C ATOM 764 CG1 ILE A 41 2.945 -6.242 2.885 1.00 52.20 C ATOM 765 CG2 ILE A 41 1.307 -8.066 3.525 1.00 14.43 C ATOM 766 CD1 ILE A 41 2.926 -6.529 1.374 1.00 12.11 C ATOM 0 H ILE A 41 5.048 -7.114 5.092 1.00 61.23 H new ATOM 0 HA ILE A 41 2.195 -6.512 5.654 1.00 42.43 H new ATOM 0 HB ILE A 41 3.451 -8.247 3.515 1.00 2.44 H new ATOM 0 HG12 ILE A 41 2.176 -5.503 3.110 1.00 52.20 H new ATOM 0 HG13 ILE A 41 3.904 -5.794 3.144 1.00 52.20 H new ATOM 0 HG21 ILE A 41 1.183 -8.259 2.459 1.00 14.43 H new ATOM 0 HG22 ILE A 41 1.189 -8.997 4.079 1.00 14.43 H new ATOM 0 HG23 ILE A 41 0.554 -7.350 3.854 1.00 14.43 H new ATOM 0 HD11 ILE A 41 3.093 -5.602 0.825 1.00 12.11 H new ATOM 0 HD12 ILE A 41 3.713 -7.242 1.129 1.00 12.11 H new ATOM 0 HD13 ILE A 41 1.959 -6.947 1.095 1.00 12.11 H new ATOM 778 N VAL A 42 1.785 -8.919 6.578 1.00 61.12 N ATOM 779 CA VAL A 42 1.597 -10.224 7.212 1.00 35.52 C ATOM 780 C VAL A 42 0.228 -10.792 6.792 1.00 4.05 C ATOM 781 O VAL A 42 -0.786 -10.475 7.413 1.00 65.04 O ATOM 782 CB VAL A 42 1.679 -10.193 8.774 1.00 31.23 C ATOM 783 CG1 VAL A 42 1.664 -11.611 9.379 1.00 33.13 C ATOM 784 CG2 VAL A 42 2.902 -9.429 9.313 1.00 72.01 C ATOM 0 H VAL A 42 0.937 -8.354 6.544 1.00 61.12 H new ATOM 0 HA VAL A 42 2.419 -10.855 6.872 1.00 35.52 H new ATOM 0 HB VAL A 42 0.786 -9.652 9.086 1.00 31.23 H new ATOM 0 HG11 VAL A 42 1.723 -11.544 10.465 1.00 33.13 H new ATOM 0 HG12 VAL A 42 0.741 -12.118 9.096 1.00 33.13 H new ATOM 0 HG13 VAL A 42 2.518 -12.176 9.004 1.00 33.13 H new ATOM 0 HG21 VAL A 42 2.892 -9.449 10.403 1.00 72.01 H new ATOM 0 HG22 VAL A 42 3.815 -9.901 8.949 1.00 72.01 H new ATOM 0 HG23 VAL A 42 2.866 -8.395 8.969 1.00 72.01 H new ATOM 794 N GLN A 43 0.228 -11.643 5.754 1.00 74.40 N ATOM 795 CA GLN A 43 -0.922 -12.474 5.398 1.00 30.22 C ATOM 796 C GLN A 43 -1.052 -13.651 6.386 1.00 35.33 C ATOM 797 O GLN A 43 -0.064 -14.334 6.654 1.00 41.12 O ATOM 798 CB GLN A 43 -0.795 -12.938 3.931 1.00 42.11 C ATOM 799 CG GLN A 43 -1.967 -13.824 3.451 1.00 34.04 C ATOM 800 CD GLN A 43 -1.927 -14.147 1.956 1.00 1.32 C ATOM 801 OE1 GLN A 43 -0.921 -13.930 1.286 1.00 41.31 O ATOM 802 NE2 GLN A 43 -3.029 -14.681 1.429 1.00 12.51 N ATOM 0 H GLN A 43 1.031 -11.771 5.139 1.00 74.40 H new ATOM 0 HA GLN A 43 -1.841 -11.893 5.476 1.00 30.22 H new ATOM 0 HB2 GLN A 43 -0.728 -12.061 3.287 1.00 42.11 H new ATOM 0 HB3 GLN A 43 0.137 -13.491 3.814 1.00 42.11 H new ATOM 0 HG2 GLN A 43 -1.959 -14.757 4.015 1.00 34.04 H new ATOM 0 HG3 GLN A 43 -2.907 -13.321 3.679 1.00 34.04 H new ATOM 0 HE21 GLN A 43 -3.846 -14.847 2.016 1.00 12.51 H new ATOM 0 HE22 GLN A 43 -3.055 -14.923 0.439 1.00 12.51 H new ATOM 811 N ASN A 44 -2.280 -13.857 6.885 1.00 25.45 N ATOM 812 CA ASN A 44 -2.698 -14.919 7.802 1.00 44.42 C ATOM 813 C ASN A 44 -3.994 -15.519 7.242 1.00 53.04 C ATOM 814 O ASN A 44 -5.056 -15.388 7.854 1.00 61.10 O ATOM 815 CB ASN A 44 -2.865 -14.316 9.224 1.00 64.41 C ATOM 816 CG ASN A 44 -1.613 -14.442 10.090 1.00 15.53 C ATOM 817 OD1 ASN A 44 -1.148 -15.550 10.344 1.00 22.31 O ATOM 818 ND2 ASN A 44 -1.097 -13.321 10.593 1.00 74.22 N ATOM 0 H ASN A 44 -3.057 -13.243 6.640 1.00 25.45 H new ATOM 0 HA ASN A 44 -1.961 -15.718 7.886 1.00 44.42 H new ATOM 0 HB2 ASN A 44 -3.131 -13.263 9.134 1.00 64.41 H new ATOM 0 HB3 ASN A 44 -3.696 -14.813 9.725 1.00 64.41 H new ATOM 0 HD21 ASN A 44 -0.288 -13.365 11.212 1.00 74.22 H new ATOM 0 HD22 ASN A 44 -1.511 -12.419 10.359 1.00 74.22 H new ATOM 825 N GLY A 45 -3.876 -16.169 6.070 1.00 55.11 N ATOM 826 CA GLY A 45 -4.988 -16.798 5.361 1.00 22.41 C ATOM 827 C GLY A 45 -5.934 -15.713 4.842 1.00 72.11 C ATOM 828 O GLY A 45 -5.622 -15.037 3.861 1.00 3.32 O ATOM 0 H GLY A 45 -2.984 -16.270 5.586 1.00 55.11 H new ATOM 0 HA2 GLY A 45 -4.613 -17.397 4.531 1.00 22.41 H new ATOM 0 HA3 GLY A 45 -5.523 -17.475 6.027 1.00 22.41 H new ATOM 832 N LYS A 46 -7.089 -15.570 5.511 1.00 5.11 N ATOM 833 CA LYS A 46 -8.081 -14.529 5.244 1.00 20.40 C ATOM 834 C LYS A 46 -7.681 -13.159 5.816 1.00 71.33 C ATOM 835 O LYS A 46 -8.031 -12.154 5.202 1.00 41.04 O ATOM 836 CB LYS A 46 -9.458 -14.966 5.780 1.00 51.11 C ATOM 837 CG LYS A 46 -10.007 -16.296 5.224 1.00 71.21 C ATOM 838 CD LYS A 46 -10.273 -16.326 3.702 1.00 71.33 C ATOM 839 CE LYS A 46 -9.099 -16.784 2.815 1.00 20.20 C ATOM 840 NZ LYS A 46 -8.665 -18.154 3.133 1.00 73.11 N1+ ATOM 0 H LYS A 46 -7.361 -16.194 6.271 1.00 5.11 H new ATOM 0 HA LYS A 46 -8.135 -14.404 4.163 1.00 20.40 H new ATOM 0 HB2 LYS A 46 -9.395 -15.047 6.865 1.00 51.11 H new ATOM 0 HB3 LYS A 46 -10.178 -14.178 5.561 1.00 51.11 H new ATOM 0 HG2 LYS A 46 -9.300 -17.090 5.467 1.00 71.21 H new ATOM 0 HG3 LYS A 46 -10.938 -16.529 5.742 1.00 71.21 H new ATOM 0 HD2 LYS A 46 -11.121 -16.985 3.515 1.00 71.33 H new ATOM 0 HD3 LYS A 46 -10.571 -15.326 3.387 1.00 71.33 H new ATOM 0 HE2 LYS A 46 -9.395 -16.732 1.767 1.00 20.20 H new ATOM 0 HE3 LYS A 46 -8.260 -16.100 2.943 1.00 20.20 H new ATOM 0 HZ1 LYS A 46 -8.076 -18.520 2.358 1.00 73.11 H new ATOM 0 HZ2 LYS A 46 -8.113 -18.148 4.014 1.00 73.11 H new ATOM 0 HZ3 LYS A 46 -9.499 -18.764 3.251 1.00 73.11 H new ATOM 854 N HIS A 47 -6.950 -13.119 6.946 1.00 31.14 N ATOM 855 CA HIS A 47 -6.451 -11.864 7.510 1.00 24.30 C ATOM 856 C HIS A 47 -5.200 -11.361 6.768 1.00 32.21 C ATOM 857 O HIS A 47 -4.450 -12.155 6.202 1.00 44.23 O ATOM 858 CB HIS A 47 -6.226 -11.994 9.029 1.00 54.34 C ATOM 859 CG HIS A 47 -6.146 -10.652 9.720 1.00 0.32 C ATOM 860 ND1 HIS A 47 -7.263 -9.864 9.941 1.00 54.25 N ATOM 861 CD2 HIS A 47 -5.079 -9.924 10.200 1.00 21.51 C ATOM 862 CE1 HIS A 47 -6.842 -8.731 10.508 1.00 22.13 C ATOM 863 NE2 HIS A 47 -5.528 -8.695 10.690 1.00 23.21 N ATOM 0 H HIS A 47 -6.695 -13.948 7.483 1.00 31.14 H new ATOM 0 HA HIS A 47 -7.217 -11.102 7.364 1.00 24.30 H new ATOM 0 HB2 HIS A 47 -7.039 -12.575 9.465 1.00 54.34 H new ATOM 0 HB3 HIS A 47 -5.305 -12.548 9.210 1.00 54.34 H new ATOM 0 HD1 HIS A 47 -8.228 -10.104 9.713 1.00 54.25 H new ATOM 0 HD2 HIS A 47 -4.051 -10.254 10.198 1.00 21.51 H new ATOM 0 HE1 HIS A 47 -7.504 -7.925 10.790 1.00 22.13 H new ATOM 871 N PHE A 48 -5.026 -10.036 6.789 1.00 74.42 N ATOM 872 CA PHE A 48 -3.932 -9.287 6.188 1.00 52.41 C ATOM 873 C PHE A 48 -3.605 -8.092 7.089 1.00 65.41 C ATOM 874 O PHE A 48 -4.483 -7.262 7.328 1.00 43.24 O ATOM 875 CB PHE A 48 -4.347 -8.768 4.798 1.00 3.43 C ATOM 876 CG PHE A 48 -4.191 -9.699 3.612 1.00 54.13 C ATOM 877 CD1 PHE A 48 -2.984 -9.715 2.883 1.00 12.33 C ATOM 878 CD2 PHE A 48 -5.211 -10.610 3.271 1.00 73.22 C ATOM 879 CE1 PHE A 48 -2.864 -10.534 1.769 1.00 31.21 C ATOM 880 CE2 PHE A 48 -5.067 -11.427 2.158 1.00 75.23 C ATOM 881 CZ PHE A 48 -3.908 -11.368 1.395 1.00 72.20 C ATOM 0 H PHE A 48 -5.693 -9.423 7.259 1.00 74.42 H new ATOM 0 HA PHE A 48 -3.063 -9.936 6.082 1.00 52.41 H new ATOM 0 HB2 PHE A 48 -5.394 -8.470 4.852 1.00 3.43 H new ATOM 0 HB3 PHE A 48 -3.769 -7.867 4.593 1.00 3.43 H new ATOM 0 HD1 PHE A 48 -2.157 -9.093 3.190 1.00 12.33 H new ATOM 0 HD2 PHE A 48 -6.104 -10.672 3.875 1.00 73.22 H new ATOM 0 HE1 PHE A 48 -1.953 -10.522 1.190 1.00 31.21 H new ATOM 0 HE2 PHE A 48 -5.858 -12.110 1.885 1.00 75.23 H new ATOM 0 HZ PHE A 48 -3.819 -11.974 0.506 1.00 72.20 H new ATOM 891 N LYS A 49 -2.337 -7.993 7.507 1.00 64.51 N ATOM 892 CA LYS A 49 -1.768 -6.787 8.103 1.00 74.12 C ATOM 893 C LYS A 49 -0.957 -6.058 7.022 1.00 23.12 C ATOM 894 O LYS A 49 -0.302 -6.714 6.213 1.00 32.45 O ATOM 895 CB LYS A 49 -0.862 -7.174 9.288 1.00 31.13 C ATOM 896 CG LYS A 49 -0.432 -5.975 10.157 1.00 65.33 C ATOM 897 CD LYS A 49 0.694 -6.288 11.153 1.00 22.54 C ATOM 898 CE LYS A 49 0.374 -7.415 12.146 1.00 0.54 C ATOM 899 NZ LYS A 49 1.470 -7.584 13.115 1.00 11.34 N1+ ATOM 0 H LYS A 49 -1.671 -8.762 7.438 1.00 64.51 H new ATOM 0 HA LYS A 49 -2.557 -6.133 8.475 1.00 74.12 H new ATOM 0 HB2 LYS A 49 -1.386 -7.896 9.914 1.00 31.13 H new ATOM 0 HB3 LYS A 49 0.029 -7.672 8.905 1.00 31.13 H new ATOM 0 HG2 LYS A 49 -0.108 -5.165 9.503 1.00 65.33 H new ATOM 0 HG3 LYS A 49 -1.299 -5.612 10.709 1.00 65.33 H new ATOM 0 HD2 LYS A 49 1.591 -6.557 10.595 1.00 22.54 H new ATOM 0 HD3 LYS A 49 0.927 -5.383 11.714 1.00 22.54 H new ATOM 0 HE2 LYS A 49 -0.553 -7.189 12.674 1.00 0.54 H new ATOM 0 HE3 LYS A 49 0.213 -8.348 11.605 1.00 0.54 H new ATOM 0 HZ1 LYS A 49 1.233 -8.351 13.777 1.00 11.34 H new ATOM 0 HZ2 LYS A 49 2.347 -7.822 12.609 1.00 11.34 H new ATOM 0 HZ3 LYS A 49 1.605 -6.699 13.644 1.00 11.34 H new ATOM 913 N PHE A 50 -0.991 -4.721 7.059 1.00 3.40 N ATOM 914 CA PHE A 50 -0.211 -3.829 6.205 1.00 12.22 C ATOM 915 C PHE A 50 0.368 -2.691 7.054 1.00 40.53 C ATOM 916 O PHE A 50 -0.380 -1.803 7.458 1.00 2.33 O ATOM 917 CB PHE A 50 -1.089 -3.281 5.057 1.00 4.42 C ATOM 918 CG PHE A 50 -1.117 -4.120 3.793 1.00 74.03 C ATOM 919 CD1 PHE A 50 -1.939 -5.263 3.706 1.00 50.23 C ATOM 920 CD2 PHE A 50 -0.224 -3.835 2.738 1.00 61.21 C ATOM 921 CE1 PHE A 50 -1.914 -6.047 2.561 1.00 41.23 C ATOM 922 CE2 PHE A 50 -0.218 -4.630 1.600 1.00 2.54 C ATOM 923 CZ PHE A 50 -1.063 -5.730 1.510 1.00 33.23 C ATOM 0 H PHE A 50 -1.588 -4.214 7.712 1.00 3.40 H new ATOM 0 HA PHE A 50 0.613 -4.382 5.755 1.00 12.22 H new ATOM 0 HB2 PHE A 50 -2.110 -3.175 5.424 1.00 4.42 H new ATOM 0 HB3 PHE A 50 -0.737 -2.282 4.800 1.00 4.42 H new ATOM 0 HD1 PHE A 50 -2.587 -5.528 4.529 1.00 50.23 H new ATOM 0 HD2 PHE A 50 0.455 -2.998 2.816 1.00 61.21 H new ATOM 0 HE1 PHE A 50 -2.560 -6.909 2.487 1.00 41.23 H new ATOM 0 HE2 PHE A 50 0.446 -4.393 0.782 1.00 2.54 H new ATOM 0 HZ PHE A 50 -1.058 -6.341 0.619 1.00 33.23 H new ATOM 933 N THR A 51 1.689 -2.724 7.277 1.00 53.41 N ATOM 934 CA THR A 51 2.455 -1.632 7.874 1.00 52.03 C ATOM 935 C THR A 51 3.196 -0.879 6.754 1.00 73.11 C ATOM 936 O THR A 51 3.703 -1.521 5.833 1.00 24.43 O ATOM 937 CB THR A 51 3.512 -2.163 8.881 1.00 20.44 C ATOM 938 OG1 THR A 51 2.859 -2.901 9.896 1.00 61.14 O ATOM 939 CG2 THR A 51 4.378 -1.088 9.566 1.00 52.31 C ATOM 0 H THR A 51 2.264 -3.532 7.040 1.00 53.41 H new ATOM 0 HA THR A 51 1.762 -0.979 8.404 1.00 52.03 H new ATOM 0 HB THR A 51 4.190 -2.769 8.280 1.00 20.44 H new ATOM 0 HG1 THR A 51 3.523 -3.239 10.533 1.00 61.14 H new ATOM 0 HG21 THR A 51 5.081 -1.567 10.247 1.00 52.31 H new ATOM 0 HG22 THR A 51 4.929 -0.529 8.810 1.00 52.31 H new ATOM 0 HG23 THR A 51 3.737 -0.407 10.126 1.00 52.31 H new ATOM 947 N ILE A 52 3.244 0.460 6.844 1.00 25.40 N ATOM 948 CA ILE A 52 3.980 1.323 5.919 1.00 53.13 C ATOM 949 C ILE A 52 4.712 2.377 6.768 1.00 32.23 C ATOM 950 O ILE A 52 4.059 3.138 7.478 1.00 61.24 O ATOM 951 CB ILE A 52 3.054 2.051 4.890 1.00 31.34 C ATOM 952 CG1 ILE A 52 2.163 1.068 4.091 1.00 71.24 C ATOM 953 CG2 ILE A 52 3.846 2.960 3.922 1.00 40.02 C ATOM 954 CD1 ILE A 52 1.070 1.751 3.253 1.00 52.10 C ATOM 0 H ILE A 52 2.761 0.979 7.578 1.00 25.40 H new ATOM 0 HA ILE A 52 4.664 0.704 5.338 1.00 53.13 H new ATOM 0 HB ILE A 52 2.400 2.685 5.489 1.00 31.34 H new ATOM 0 HG12 ILE A 52 2.796 0.476 3.430 1.00 71.24 H new ATOM 0 HG13 ILE A 52 1.692 0.374 4.787 1.00 71.24 H new ATOM 0 HG21 ILE A 52 3.156 3.442 3.229 1.00 40.02 H new ATOM 0 HG22 ILE A 52 4.379 3.722 4.492 1.00 40.02 H new ATOM 0 HG23 ILE A 52 4.562 2.359 3.362 1.00 40.02 H new ATOM 0 HD11 ILE A 52 0.490 0.994 2.724 1.00 52.10 H new ATOM 0 HD12 ILE A 52 0.411 2.320 3.909 1.00 52.10 H new ATOM 0 HD13 ILE A 52 1.532 2.424 2.531 1.00 52.10 H new ATOM 966 N THR A 53 6.049 2.398 6.689 1.00 2.25 N ATOM 967 CA THR A 53 6.907 3.296 7.458 1.00 34.41 C ATOM 968 C THR A 53 7.796 4.090 6.488 1.00 12.24 C ATOM 969 O THR A 53 8.695 3.505 5.888 1.00 50.34 O ATOM 970 CB THR A 53 7.816 2.496 8.432 1.00 3.33 C ATOM 971 OG1 THR A 53 6.996 1.806 9.355 1.00 41.31 O ATOM 972 CG2 THR A 53 8.819 3.345 9.235 1.00 74.21 C ATOM 0 H THR A 53 6.572 1.775 6.073 1.00 2.25 H new ATOM 0 HA THR A 53 6.276 3.968 8.040 1.00 34.41 H new ATOM 0 HB THR A 53 8.407 1.831 7.802 1.00 3.33 H new ATOM 0 HG1 THR A 53 7.558 1.296 9.974 1.00 41.31 H new ATOM 0 HG21 THR A 53 9.406 2.696 9.885 1.00 74.21 H new ATOM 0 HG22 THR A 53 9.484 3.869 8.548 1.00 74.21 H new ATOM 0 HG23 THR A 53 8.278 4.072 9.841 1.00 74.21 H new ATOM 980 N ALA A 54 7.527 5.398 6.344 1.00 42.32 N ATOM 981 CA ALA A 54 8.245 6.283 5.425 1.00 33.40 C ATOM 982 C ALA A 54 8.090 7.742 5.865 1.00 4.42 C ATOM 983 O ALA A 54 6.972 8.166 6.150 1.00 71.34 O ATOM 984 CB ALA A 54 7.701 6.098 3.994 1.00 22.53 C ATOM 0 H ALA A 54 6.794 5.872 6.872 1.00 42.32 H new ATOM 0 HA ALA A 54 9.304 6.027 5.440 1.00 33.40 H new ATOM 0 HB1 ALA A 54 8.238 6.758 3.313 1.00 22.53 H new ATOM 0 HB2 ALA A 54 7.841 5.063 3.682 1.00 22.53 H new ATOM 0 HB3 ALA A 54 6.639 6.342 3.974 1.00 22.53 H new ATOM 990 N GLY A 55 9.203 8.496 5.864 1.00 31.11 N ATOM 991 CA GLY A 55 9.217 9.932 6.164 1.00 55.23 C ATOM 992 C GLY A 55 9.265 10.227 7.674 1.00 64.53 C ATOM 993 O GLY A 55 8.882 11.327 8.071 1.00 72.42 O ATOM 0 H GLY A 55 10.126 8.118 5.652 1.00 31.11 H new ATOM 0 HA2 GLY A 55 10.080 10.391 5.682 1.00 55.23 H new ATOM 0 HA3 GLY A 55 8.329 10.396 5.736 1.00 55.23 H new ATOM 997 N SER A 56 9.712 9.263 8.501 1.00 20.05 N ATOM 998 CA SER A 56 9.782 9.321 9.969 1.00 64.53 C ATOM 999 C SER A 56 8.384 9.296 10.634 1.00 74.02 C ATOM 1000 O SER A 56 8.155 9.985 11.629 1.00 44.30 O ATOM 1001 CB SER A 56 10.710 10.471 10.444 1.00 55.44 C ATOM 1002 OG SER A 56 11.029 10.357 11.816 1.00 64.35 O ATOM 0 H SER A 56 10.053 8.372 8.139 1.00 20.05 H new ATOM 0 HA SER A 56 10.254 8.404 10.321 1.00 64.53 H new ATOM 0 HB2 SER A 56 11.628 10.464 9.856 1.00 55.44 H new ATOM 0 HB3 SER A 56 10.223 11.429 10.263 1.00 55.44 H new ATOM 0 HG SER A 56 10.203 10.283 12.339 1.00 64.35 H new ATOM 1008 N LYS A 57 7.487 8.470 10.074 1.00 63.33 N ATOM 1009 CA LYS A 57 6.164 8.154 10.611 1.00 55.45 C ATOM 1010 C LYS A 57 5.816 6.708 10.229 1.00 41.21 C ATOM 1011 O LYS A 57 6.314 6.210 9.218 1.00 52.43 O ATOM 1012 CB LYS A 57 5.112 9.197 10.140 1.00 2.22 C ATOM 1013 CG LYS A 57 4.784 9.228 8.628 1.00 75.24 C ATOM 1014 CD LYS A 57 3.621 8.316 8.174 1.00 51.34 C ATOM 1015 CE LYS A 57 2.221 8.907 8.419 1.00 72.22 C ATOM 1016 NZ LYS A 57 1.889 9.959 7.441 1.00 60.33 N1+ ATOM 0 H LYS A 57 7.677 7.986 9.197 1.00 63.33 H new ATOM 0 HA LYS A 57 6.162 8.219 11.699 1.00 55.45 H new ATOM 0 HB2 LYS A 57 4.186 9.014 10.684 1.00 2.22 H new ATOM 0 HB3 LYS A 57 5.462 10.187 10.431 1.00 2.22 H new ATOM 0 HG2 LYS A 57 4.547 10.254 8.348 1.00 75.24 H new ATOM 0 HG3 LYS A 57 5.680 8.945 8.075 1.00 75.24 H new ATOM 0 HD2 LYS A 57 3.733 8.106 7.110 1.00 51.34 H new ATOM 0 HD3 LYS A 57 3.697 7.363 8.697 1.00 51.34 H new ATOM 0 HE2 LYS A 57 1.477 8.112 8.364 1.00 72.22 H new ATOM 0 HE3 LYS A 57 2.173 9.320 9.427 1.00 72.22 H new ATOM 0 HZ1 LYS A 57 0.856 10.046 7.362 1.00 60.33 H new ATOM 0 HZ2 LYS A 57 2.289 10.865 7.757 1.00 60.33 H new ATOM 0 HZ3 LYS A 57 2.288 9.709 6.514 1.00 60.33 H new ATOM 1030 N VAL A 58 4.957 6.080 11.045 1.00 55.31 N ATOM 1031 CA VAL A 58 4.490 4.704 10.867 1.00 42.03 C ATOM 1032 C VAL A 58 2.959 4.712 10.695 1.00 54.23 C ATOM 1033 O VAL A 58 2.260 5.416 11.424 1.00 21.21 O ATOM 1034 CB VAL A 58 4.840 3.823 12.105 1.00 0.10 C ATOM 1035 CG1 VAL A 58 4.321 2.372 12.004 1.00 44.04 C ATOM 1036 CG2 VAL A 58 6.355 3.799 12.381 1.00 42.14 C ATOM 0 H VAL A 58 4.559 6.531 11.869 1.00 55.31 H new ATOM 0 HA VAL A 58 4.982 4.288 9.988 1.00 42.03 H new ATOM 0 HB VAL A 58 4.322 4.300 12.937 1.00 0.10 H new ATOM 0 HG11 VAL A 58 4.603 1.821 12.901 1.00 44.04 H new ATOM 0 HG12 VAL A 58 3.235 2.380 11.909 1.00 44.04 H new ATOM 0 HG13 VAL A 58 4.758 1.889 11.130 1.00 44.04 H new ATOM 0 HG21 VAL A 58 6.556 3.174 13.251 1.00 42.14 H new ATOM 0 HG22 VAL A 58 6.876 3.393 11.514 1.00 42.14 H new ATOM 0 HG23 VAL A 58 6.706 4.813 12.573 1.00 42.14 H new ATOM 1046 N ILE A 59 2.486 3.906 9.736 1.00 41.03 N ATOM 1047 CA ILE A 59 1.082 3.649 9.412 1.00 34.25 C ATOM 1048 C ILE A 59 0.846 2.144 9.626 1.00 14.03 C ATOM 1049 O ILE A 59 1.730 1.355 9.292 1.00 51.40 O ATOM 1050 CB ILE A 59 0.804 3.960 7.908 1.00 23.52 C ATOM 1051 CG1 ILE A 59 1.111 5.432 7.551 1.00 33.02 C ATOM 1052 CG2 ILE A 59 -0.601 3.580 7.387 1.00 24.12 C ATOM 1053 CD1 ILE A 59 1.769 5.594 6.176 1.00 72.32 C ATOM 0 H ILE A 59 3.117 3.384 9.128 1.00 41.03 H new ATOM 0 HA ILE A 59 0.436 4.270 10.033 1.00 34.25 H new ATOM 0 HB ILE A 59 1.499 3.298 7.392 1.00 23.52 H new ATOM 0 HG12 ILE A 59 0.184 6.006 7.573 1.00 33.02 H new ATOM 0 HG13 ILE A 59 1.766 5.855 8.313 1.00 33.02 H new ATOM 0 HG21 ILE A 59 -0.681 3.841 6.332 1.00 24.12 H new ATOM 0 HG22 ILE A 59 -0.756 2.508 7.508 1.00 24.12 H new ATOM 0 HG23 ILE A 59 -1.358 4.123 7.953 1.00 24.12 H new ATOM 0 HD11 ILE A 59 1.959 6.650 5.986 1.00 72.32 H new ATOM 0 HD12 ILE A 59 2.712 5.047 6.157 1.00 72.32 H new ATOM 0 HD13 ILE A 59 1.105 5.200 5.406 1.00 72.32 H new ATOM 1065 N GLN A 60 -0.331 1.774 10.158 1.00 35.51 N ATOM 1066 CA GLN A 60 -0.726 0.380 10.376 1.00 42.05 C ATOM 1067 C GLN A 60 -2.200 0.161 10.017 1.00 42.53 C ATOM 1068 O GLN A 60 -3.052 0.979 10.362 1.00 43.10 O ATOM 1069 CB GLN A 60 -0.424 -0.066 11.823 1.00 21.23 C ATOM 1070 CG GLN A 60 1.083 -0.265 12.094 1.00 52.05 C ATOM 1071 CD GLN A 60 1.396 -0.905 13.449 1.00 73.31 C ATOM 1072 OE1 GLN A 60 2.305 -1.727 13.548 1.00 23.35 O ATOM 1073 NE2 GLN A 60 0.670 -0.525 14.502 1.00 13.55 N ATOM 0 H GLN A 60 -1.040 2.446 10.451 1.00 35.51 H new ATOM 0 HA GLN A 60 -0.130 -0.244 9.710 1.00 42.05 H new ATOM 0 HB2 GLN A 60 -0.816 0.679 12.516 1.00 21.23 H new ATOM 0 HB3 GLN A 60 -0.950 -0.999 12.026 1.00 21.23 H new ATOM 0 HG2 GLN A 60 1.504 -0.888 11.304 1.00 52.05 H new ATOM 0 HG3 GLN A 60 1.582 0.702 12.037 1.00 52.05 H new ATOM 0 HE21 GLN A 60 -0.077 0.159 14.386 1.00 13.55 H new ATOM 0 HE22 GLN A 60 0.862 -0.919 15.423 1.00 13.55 H new ATOM 1082 N ASN A 61 -2.453 -0.970 9.340 1.00 23.42 N ATOM 1083 CA ASN A 61 -3.755 -1.425 8.859 1.00 41.34 C ATOM 1084 C ASN A 61 -3.896 -2.919 9.158 1.00 52.20 C ATOM 1085 O ASN A 61 -2.936 -3.671 8.989 1.00 25.44 O ATOM 1086 CB ASN A 61 -3.842 -1.184 7.334 1.00 25.31 C ATOM 1087 CG ASN A 61 -4.062 0.283 6.972 1.00 33.31 C ATOM 1088 OD1 ASN A 61 -5.097 0.841 7.316 1.00 52.35 O ATOM 1089 ND2 ASN A 61 -3.114 0.908 6.271 1.00 11.11 N ATOM 0 H ASN A 61 -1.708 -1.625 9.103 1.00 23.42 H new ATOM 0 HA ASN A 61 -4.555 -0.877 9.356 1.00 41.34 H new ATOM 0 HB2 ASN A 61 -2.923 -1.534 6.864 1.00 25.31 H new ATOM 0 HB3 ASN A 61 -4.657 -1.780 6.924 1.00 25.31 H new ATOM 0 HD21 ASN A 61 -3.238 1.884 6.003 1.00 11.11 H new ATOM 0 HD22 ASN A 61 -2.266 0.409 6.003 1.00 11.11 H new ATOM 1096 N GLU A 62 -5.118 -3.309 9.541 1.00 40.14 N ATOM 1097 CA GLU A 62 -5.564 -4.693 9.683 1.00 21.24 C ATOM 1098 C GLU A 62 -6.914 -4.828 8.965 1.00 44.03 C ATOM 1099 O GLU A 62 -7.768 -3.950 9.103 1.00 14.33 O ATOM 1100 CB GLU A 62 -5.714 -5.090 11.175 1.00 43.32 C ATOM 1101 CG GLU A 62 -4.468 -5.729 11.834 1.00 34.42 C ATOM 1102 CD GLU A 62 -3.435 -4.781 12.454 1.00 31.11 C ATOM 1103 OE1 GLU A 62 -2.502 -5.328 13.082 1.00 31.44 O ATOM 1104 OE2 GLU A 62 -3.585 -3.548 12.319 1.00 11.32 O1- ATOM 0 H GLU A 62 -5.851 -2.637 9.769 1.00 40.14 H new ATOM 0 HA GLU A 62 -4.822 -5.360 9.244 1.00 21.24 H new ATOM 0 HB2 GLU A 62 -5.984 -4.199 11.742 1.00 43.32 H new ATOM 0 HB3 GLU A 62 -6.546 -5.789 11.263 1.00 43.32 H new ATOM 0 HG2 GLU A 62 -4.811 -6.410 12.613 1.00 34.42 H new ATOM 0 HG3 GLU A 62 -3.962 -6.334 11.082 1.00 34.42 H new ATOM 1111 N PHE A 63 -7.095 -5.946 8.246 1.00 33.11 N ATOM 1112 CA PHE A 63 -8.343 -6.297 7.570 1.00 33.44 C ATOM 1113 C PHE A 63 -8.405 -7.795 7.259 1.00 12.32 C ATOM 1114 O PHE A 63 -7.367 -8.422 7.066 1.00 41.43 O ATOM 1115 CB PHE A 63 -8.565 -5.430 6.307 1.00 71.24 C ATOM 1116 CG PHE A 63 -7.516 -5.543 5.212 1.00 63.13 C ATOM 1117 CD1 PHE A 63 -7.564 -6.598 4.275 1.00 51.23 C ATOM 1118 CD2 PHE A 63 -6.409 -4.668 5.202 1.00 40.24 C ATOM 1119 CE1 PHE A 63 -6.577 -6.706 3.304 1.00 20.42 C ATOM 1120 CE2 PHE A 63 -5.437 -4.791 4.221 1.00 73.04 C ATOM 1121 CZ PHE A 63 -5.528 -5.798 3.269 1.00 52.40 C ATOM 0 H PHE A 63 -6.360 -6.642 8.119 1.00 33.11 H new ATOM 0 HA PHE A 63 -9.164 -6.079 8.253 1.00 33.44 H new ATOM 0 HB2 PHE A 63 -9.533 -5.691 5.880 1.00 71.24 H new ATOM 0 HB3 PHE A 63 -8.624 -4.386 6.616 1.00 71.24 H new ATOM 0 HD1 PHE A 63 -8.367 -7.320 4.313 1.00 51.23 H new ATOM 0 HD2 PHE A 63 -6.319 -3.903 5.958 1.00 40.24 H new ATOM 0 HE1 PHE A 63 -6.626 -7.500 2.573 1.00 20.42 H new ATOM 0 HE2 PHE A 63 -4.606 -4.101 4.197 1.00 73.04 H new ATOM 0 HZ PHE A 63 -4.777 -5.875 2.496 1.00 52.40 H new ATOM 1131 N THR A 64 -9.636 -8.318 7.171 1.00 34.14 N ATOM 1132 CA THR A 64 -9.929 -9.678 6.724 1.00 3.13 C ATOM 1133 C THR A 64 -10.659 -9.585 5.378 1.00 74.33 C ATOM 1134 O THR A 64 -11.692 -8.919 5.306 1.00 14.33 O ATOM 1135 CB THR A 64 -10.834 -10.416 7.748 1.00 62.34 C ATOM 1136 OG1 THR A 64 -10.119 -10.569 8.960 1.00 32.13 O ATOM 1137 CG2 THR A 64 -11.318 -11.813 7.320 1.00 71.51 C ATOM 0 H THR A 64 -10.473 -7.790 7.416 1.00 34.14 H new ATOM 0 HA THR A 64 -8.999 -10.238 6.629 1.00 3.13 H new ATOM 0 HB THR A 64 -11.724 -9.794 7.841 1.00 62.34 H new ATOM 0 HG1 THR A 64 -10.681 -11.033 9.615 1.00 32.13 H new ATOM 0 HG21 THR A 64 -11.942 -12.239 8.106 1.00 71.51 H new ATOM 0 HG22 THR A 64 -11.898 -11.731 6.401 1.00 71.51 H new ATOM 0 HG23 THR A 64 -10.457 -12.460 7.149 1.00 71.51 H new ATOM 1145 N VAL A 65 -10.104 -10.225 4.332 1.00 1.44 N ATOM 1146 CA VAL A 65 -10.661 -10.167 2.978 1.00 54.10 C ATOM 1147 C VAL A 65 -12.006 -10.915 2.875 1.00 54.34 C ATOM 1148 O VAL A 65 -12.132 -12.036 3.369 1.00 74.41 O ATOM 1149 CB VAL A 65 -9.688 -10.665 1.868 1.00 62.42 C ATOM 1150 CG1 VAL A 65 -8.445 -9.768 1.777 1.00 54.54 C ATOM 1151 CG2 VAL A 65 -9.296 -12.155 1.920 1.00 44.43 C ATOM 0 H VAL A 65 -9.260 -10.793 4.406 1.00 1.44 H new ATOM 0 HA VAL A 65 -10.828 -9.105 2.796 1.00 54.10 H new ATOM 0 HB VAL A 65 -10.273 -10.581 0.952 1.00 62.42 H new ATOM 0 HG11 VAL A 65 -7.784 -10.140 0.994 1.00 54.54 H new ATOM 0 HG12 VAL A 65 -8.749 -8.748 1.541 1.00 54.54 H new ATOM 0 HG13 VAL A 65 -7.918 -9.778 2.731 1.00 54.54 H new ATOM 0 HG21 VAL A 65 -8.617 -12.381 1.098 1.00 44.43 H new ATOM 0 HG22 VAL A 65 -8.802 -12.368 2.868 1.00 44.43 H new ATOM 0 HG23 VAL A 65 -10.191 -12.770 1.831 1.00 44.43 H new ATOM 1161 N GLY A 66 -12.987 -10.234 2.267 1.00 74.31 N ATOM 1162 CA GLY A 66 -14.378 -10.671 2.157 1.00 2.14 C ATOM 1163 C GLY A 66 -15.267 -10.085 3.269 1.00 14.12 C ATOM 1164 O GLY A 66 -16.487 -10.130 3.123 1.00 1.40 O ATOM 0 H GLY A 66 -12.823 -9.330 1.823 1.00 74.31 H new ATOM 0 HA2 GLY A 66 -14.773 -10.375 1.185 1.00 2.14 H new ATOM 0 HA3 GLY A 66 -14.418 -11.759 2.199 1.00 2.14 H new ATOM 1168 N GLU A 67 -14.684 -9.529 4.348 1.00 62.22 N ATOM 1169 CA GLU A 67 -15.398 -8.940 5.485 1.00 2.33 C ATOM 1170 C GLU A 67 -15.061 -7.448 5.621 1.00 4.41 C ATOM 1171 O GLU A 67 -14.035 -6.997 5.106 1.00 32.14 O ATOM 1172 CB GLU A 67 -15.020 -9.695 6.777 1.00 31.54 C ATOM 1173 CG GLU A 67 -15.441 -11.180 6.766 1.00 14.13 C ATOM 1174 CD GLU A 67 -15.160 -11.929 8.073 1.00 5.44 C ATOM 1175 OE1 GLU A 67 -14.719 -11.282 9.050 1.00 65.44 O ATOM 1176 OE2 GLU A 67 -15.399 -13.156 8.070 1.00 14.02 O1- ATOM 0 H GLU A 67 -13.670 -9.478 4.451 1.00 62.22 H new ATOM 0 HA GLU A 67 -16.471 -9.031 5.316 1.00 2.33 H new ATOM 0 HB2 GLU A 67 -13.942 -9.632 6.923 1.00 31.54 H new ATOM 0 HB3 GLU A 67 -15.487 -9.199 7.628 1.00 31.54 H new ATOM 0 HG2 GLU A 67 -16.507 -11.241 6.549 1.00 14.13 H new ATOM 0 HG3 GLU A 67 -14.921 -11.686 5.953 1.00 14.13 H new ATOM 1183 N GLU A 68 -15.929 -6.709 6.335 1.00 71.35 N ATOM 1184 CA GLU A 68 -15.699 -5.303 6.664 1.00 12.25 C ATOM 1185 C GLU A 68 -14.599 -5.169 7.731 1.00 3.41 C ATOM 1186 O GLU A 68 -14.603 -5.902 8.721 1.00 31.22 O ATOM 1187 CB GLU A 68 -17.008 -4.629 7.137 1.00 12.34 C ATOM 1188 CG GLU A 68 -16.887 -3.094 7.295 1.00 14.12 C ATOM 1189 CD GLU A 68 -18.078 -2.485 8.028 1.00 40.53 C ATOM 1190 OE1 GLU A 68 -18.987 -1.975 7.338 1.00 12.21 O ATOM 1191 OE2 GLU A 68 -18.042 -2.520 9.278 1.00 55.12 O1- ATOM 0 H GLU A 68 -16.809 -7.076 6.698 1.00 71.35 H new ATOM 0 HA GLU A 68 -15.363 -4.792 5.762 1.00 12.25 H new ATOM 0 HB2 GLU A 68 -17.801 -4.852 6.423 1.00 12.34 H new ATOM 0 HB3 GLU A 68 -17.307 -5.063 8.091 1.00 12.34 H new ATOM 0 HG2 GLU A 68 -15.972 -2.859 7.838 1.00 14.12 H new ATOM 0 HG3 GLU A 68 -16.799 -2.637 6.310 1.00 14.12 H new ATOM 1198 N CYS A 69 -13.729 -4.180 7.513 1.00 35.11 N ATOM 1199 CA CYS A 69 -12.760 -3.661 8.470 1.00 24.14 C ATOM 1200 C CYS A 69 -12.588 -2.158 8.200 1.00 1.24 C ATOM 1201 O CYS A 69 -13.310 -1.594 7.379 1.00 23.03 O ATOM 1202 CB CYS A 69 -11.435 -4.458 8.456 1.00 31.21 C ATOM 1203 SG CYS A 69 -11.474 -5.723 9.756 1.00 73.13 S ATOM 0 H CYS A 69 -13.682 -3.697 6.616 1.00 35.11 H new ATOM 0 HA CYS A 69 -13.128 -3.790 9.488 1.00 24.14 H new ATOM 0 HB2 CYS A 69 -11.291 -4.927 7.482 1.00 31.21 H new ATOM 0 HB3 CYS A 69 -10.592 -3.785 8.614 1.00 31.21 H new ATOM 0 HG CYS A 69 -12.672 -6.221 9.841 1.00 73.13 H new ATOM 1209 N GLU A 70 -11.681 -1.513 8.942 1.00 32.42 N ATOM 1210 CA GLU A 70 -11.542 -0.063 8.937 1.00 52.30 C ATOM 1211 C GLU A 70 -10.085 0.281 8.610 1.00 74.34 C ATOM 1212 O GLU A 70 -9.195 -0.025 9.406 1.00 25.25 O ATOM 1213 CB GLU A 70 -12.037 0.453 10.305 1.00 50.13 C ATOM 1214 CG GLU A 70 -12.543 1.901 10.252 1.00 14.35 C ATOM 1215 CD GLU A 70 -13.096 2.381 11.594 1.00 23.31 C ATOM 1216 OE1 GLU A 70 -13.891 1.622 12.191 1.00 55.42 O ATOM 1217 OE2 GLU A 70 -12.741 3.511 11.991 1.00 61.02 O1- ATOM 0 H GLU A 70 -11.024 -1.988 9.562 1.00 32.42 H new ATOM 0 HA GLU A 70 -12.145 0.430 8.174 1.00 52.30 H new ATOM 0 HB2 GLU A 70 -12.839 -0.193 10.663 1.00 50.13 H new ATOM 0 HB3 GLU A 70 -11.225 0.384 11.029 1.00 50.13 H new ATOM 0 HG2 GLU A 70 -11.728 2.556 9.944 1.00 14.35 H new ATOM 0 HG3 GLU A 70 -13.321 1.982 9.493 1.00 14.35 H new ATOM 1224 N LEU A 71 -9.875 0.878 7.425 1.00 24.32 N ATOM 1225 CA LEU A 71 -8.559 1.270 6.925 1.00 60.35 C ATOM 1226 C LEU A 71 -8.206 2.685 7.400 1.00 15.41 C ATOM 1227 O LEU A 71 -8.974 3.620 7.174 1.00 44.21 O ATOM 1228 CB LEU A 71 -8.524 1.205 5.379 1.00 65.33 C ATOM 1229 CG LEU A 71 -8.597 -0.215 4.771 1.00 22.45 C ATOM 1230 CD1 LEU A 71 -8.616 -0.150 3.229 1.00 60.14 C ATOM 1231 CD2 LEU A 71 -7.478 -1.150 5.273 1.00 4.32 C ATOM 0 H LEU A 71 -10.633 1.103 6.781 1.00 24.32 H new ATOM 0 HA LEU A 71 -7.821 0.572 7.320 1.00 60.35 H new ATOM 0 HB2 LEU A 71 -9.356 1.792 4.989 1.00 65.33 H new ATOM 0 HB3 LEU A 71 -7.607 1.683 5.033 1.00 65.33 H new ATOM 0 HG LEU A 71 -9.534 -0.651 5.117 1.00 22.45 H new ATOM 0 HD11 LEU A 71 -8.668 -1.160 2.823 1.00 60.14 H new ATOM 0 HD12 LEU A 71 -9.486 0.418 2.899 1.00 60.14 H new ATOM 0 HD13 LEU A 71 -7.708 0.338 2.874 1.00 60.14 H new ATOM 0 HD21 LEU A 71 -7.587 -2.130 4.808 1.00 4.32 H new ATOM 0 HD22 LEU A 71 -6.507 -0.730 5.010 1.00 4.32 H new ATOM 0 HD23 LEU A 71 -7.548 -1.252 6.356 1.00 4.32 H new ATOM 1243 N GLU A 72 -7.008 2.798 7.993 1.00 40.11 N ATOM 1244 CA GLU A 72 -6.284 4.035 8.263 1.00 5.22 C ATOM 1245 C GLU A 72 -5.682 4.588 6.960 1.00 54.31 C ATOM 1246 O GLU A 72 -5.313 3.817 6.073 1.00 55.05 O ATOM 1247 CB GLU A 72 -5.200 3.731 9.325 1.00 30.20 C ATOM 1248 CG GLU A 72 -4.286 4.910 9.712 1.00 61.31 C ATOM 1249 CD GLU A 72 -3.284 4.507 10.791 1.00 64.43 C ATOM 1250 OE1 GLU A 72 -2.167 4.095 10.409 1.00 32.23 O ATOM 1251 OE2 GLU A 72 -3.654 4.609 11.980 1.00 12.31 O1- ATOM 0 H GLU A 72 -6.495 1.977 8.313 1.00 40.11 H new ATOM 0 HA GLU A 72 -6.952 4.804 8.651 1.00 5.22 H new ATOM 0 HB2 GLU A 72 -5.694 3.369 10.227 1.00 30.20 H new ATOM 0 HB3 GLU A 72 -4.575 2.918 8.955 1.00 30.20 H new ATOM 0 HG2 GLU A 72 -3.751 5.262 8.830 1.00 61.31 H new ATOM 0 HG3 GLU A 72 -4.894 5.741 10.070 1.00 61.31 H new ATOM 1258 N THR A 73 -5.588 5.921 6.888 1.00 14.12 N ATOM 1259 CA THR A 73 -5.048 6.651 5.744 1.00 13.34 C ATOM 1260 C THR A 73 -3.796 7.452 6.152 1.00 65.20 C ATOM 1261 O THR A 73 -3.423 7.483 7.324 1.00 23.23 O ATOM 1262 CB THR A 73 -6.123 7.616 5.173 1.00 62.31 C ATOM 1263 OG1 THR A 73 -6.455 8.656 6.072 1.00 65.12 O ATOM 1264 CG2 THR A 73 -7.396 6.869 4.752 1.00 60.04 C ATOM 0 H THR A 73 -5.894 6.533 7.644 1.00 14.12 H new ATOM 0 HA THR A 73 -4.767 5.929 4.978 1.00 13.34 H new ATOM 0 HB THR A 73 -5.672 8.068 4.289 1.00 62.31 H new ATOM 0 HG1 THR A 73 -7.152 8.346 6.687 1.00 65.12 H new ATOM 0 HG21 THR A 73 -8.122 7.580 4.358 1.00 60.04 H new ATOM 0 HG22 THR A 73 -7.151 6.137 3.982 1.00 60.04 H new ATOM 0 HG23 THR A 73 -7.821 6.358 5.616 1.00 60.04 H new ATOM 1272 N MET A 74 -3.166 8.079 5.148 1.00 72.21 N ATOM 1273 CA MET A 74 -1.993 8.947 5.272 1.00 42.23 C ATOM 1274 C MET A 74 -2.237 10.202 6.139 1.00 45.20 C ATOM 1275 O MET A 74 -1.304 10.638 6.818 1.00 11.12 O ATOM 1276 CB MET A 74 -1.540 9.342 3.854 1.00 54.15 C ATOM 1277 CG MET A 74 -0.992 8.185 3.004 1.00 21.54 C ATOM 1278 SD MET A 74 0.649 7.606 3.502 1.00 51.13 S ATOM 1279 CE MET A 74 0.698 6.028 2.615 1.00 13.43 C ATOM 0 H MET A 74 -3.478 7.988 4.181 1.00 72.21 H new ATOM 0 HA MET A 74 -1.214 8.389 5.792 1.00 42.23 H new ATOM 0 HB2 MET A 74 -2.384 9.790 3.330 1.00 54.15 H new ATOM 0 HB3 MET A 74 -0.771 10.110 3.935 1.00 54.15 H new ATOM 0 HG2 MET A 74 -1.690 7.350 3.056 1.00 21.54 H new ATOM 0 HG3 MET A 74 -0.951 8.503 1.962 1.00 21.54 H new ATOM 0 HE1 MET A 74 1.648 5.531 2.810 1.00 13.43 H new ATOM 0 HE2 MET A 74 -0.120 5.394 2.956 1.00 13.43 H new ATOM 0 HE3 MET A 74 0.596 6.209 1.545 1.00 13.43 H new ATOM 1289 N THR A 75 -3.476 10.731 6.128 1.00 42.35 N ATOM 1290 CA THR A 75 -3.951 11.810 7.006 1.00 12.24 C ATOM 1291 C THR A 75 -4.420 11.296 8.391 1.00 50.13 C ATOM 1292 O THR A 75 -4.698 12.119 9.264 1.00 10.31 O ATOM 1293 CB THR A 75 -5.145 12.576 6.369 1.00 54.03 C ATOM 1294 OG1 THR A 75 -6.255 11.728 6.122 1.00 22.32 O ATOM 1295 CG2 THR A 75 -4.786 13.302 5.069 1.00 32.15 C ATOM 0 H THR A 75 -4.196 10.405 5.484 1.00 42.35 H new ATOM 0 HA THR A 75 -3.092 12.469 7.136 1.00 12.24 H new ATOM 0 HB THR A 75 -5.412 13.325 7.114 1.00 54.03 H new ATOM 0 HG1 THR A 75 -5.986 10.794 6.244 1.00 22.32 H new ATOM 0 HG21 THR A 75 -5.667 13.814 4.683 1.00 32.15 H new ATOM 0 HG22 THR A 75 -4.000 14.031 5.265 1.00 32.15 H new ATOM 0 HG23 THR A 75 -4.435 12.578 4.333 1.00 32.15 H new ATOM 1303 N GLY A 76 -4.482 9.967 8.583 1.00 72.11 N ATOM 1304 CA GLY A 76 -4.815 9.307 9.845 1.00 42.54 C ATOM 1305 C GLY A 76 -6.320 9.036 9.995 1.00 52.34 C ATOM 1306 O GLY A 76 -6.688 8.249 10.869 1.00 50.44 O ATOM 0 H GLY A 76 -4.294 9.303 7.832 1.00 72.11 H new ATOM 0 HA2 GLY A 76 -4.272 8.364 9.911 1.00 42.54 H new ATOM 0 HA3 GLY A 76 -4.478 9.928 10.675 1.00 42.54 H new ATOM 1310 N GLU A 77 -7.182 9.644 9.157 1.00 21.31 N ATOM 1311 CA GLU A 77 -8.632 9.429 9.131 1.00 22.12 C ATOM 1312 C GLU A 77 -8.976 7.975 8.784 1.00 21.20 C ATOM 1313 O GLU A 77 -8.511 7.476 7.759 1.00 41.31 O ATOM 1314 CB GLU A 77 -9.285 10.372 8.102 1.00 15.43 C ATOM 1315 CG GLU A 77 -9.237 11.857 8.495 1.00 15.44 C ATOM 1316 CD GLU A 77 -9.870 12.725 7.412 1.00 51.14 C ATOM 1317 OE1 GLU A 77 -9.188 12.929 6.383 1.00 5.31 O ATOM 1318 OE2 GLU A 77 -11.029 13.148 7.618 1.00 25.15 O1- ATOM 0 H GLU A 77 -6.872 10.320 8.459 1.00 21.31 H new ATOM 0 HA GLU A 77 -9.020 9.644 10.127 1.00 22.12 H new ATOM 0 HB2 GLU A 77 -8.787 10.245 7.141 1.00 15.43 H new ATOM 0 HB3 GLU A 77 -10.325 10.077 7.963 1.00 15.43 H new ATOM 0 HG2 GLU A 77 -9.762 12.005 9.439 1.00 15.44 H new ATOM 0 HG3 GLU A 77 -8.203 12.162 8.654 1.00 15.44 H new ATOM 1325 N LYS A 78 -9.783 7.334 9.639 1.00 55.25 N ATOM 1326 CA LYS A 78 -10.234 5.962 9.445 1.00 3.40 C ATOM 1327 C LYS A 78 -11.623 5.934 8.789 1.00 71.00 C ATOM 1328 O LYS A 78 -12.465 6.774 9.110 1.00 4.24 O ATOM 1329 CB LYS A 78 -10.239 5.233 10.798 1.00 55.15 C ATOM 1330 CG LYS A 78 -8.835 5.030 11.404 1.00 73.24 C ATOM 1331 CD LYS A 78 -8.697 3.734 12.221 1.00 1.34 C ATOM 1332 CE LYS A 78 -8.652 2.474 11.340 1.00 24.13 C ATOM 1333 NZ LYS A 78 -8.506 1.248 12.138 1.00 73.22 N1+ ATOM 0 H LYS A 78 -10.141 7.763 10.492 1.00 55.25 H new ATOM 0 HA LYS A 78 -9.548 5.447 8.772 1.00 3.40 H new ATOM 0 HB2 LYS A 78 -10.850 5.798 11.502 1.00 55.15 H new ATOM 0 HB3 LYS A 78 -10.714 4.260 10.674 1.00 55.15 H new ATOM 0 HG2 LYS A 78 -8.099 5.022 10.600 1.00 73.24 H new ATOM 0 HG3 LYS A 78 -8.599 5.880 12.044 1.00 73.24 H new ATOM 0 HD2 LYS A 78 -7.789 3.784 12.822 1.00 1.34 H new ATOM 0 HD3 LYS A 78 -9.534 3.657 12.915 1.00 1.34 H new ATOM 0 HE2 LYS A 78 -9.565 2.414 10.747 1.00 24.13 H new ATOM 0 HE3 LYS A 78 -7.821 2.551 10.639 1.00 24.13 H new ATOM 0 HZ1 LYS A 78 -8.699 0.419 11.540 1.00 73.22 H new ATOM 0 HZ2 LYS A 78 -7.536 1.189 12.509 1.00 73.22 H new ATOM 0 HZ3 LYS A 78 -9.179 1.267 12.930 1.00 73.22 H new ATOM 1347 N VAL A 79 -11.835 4.954 7.895 1.00 1.35 N ATOM 1348 CA VAL A 79 -13.101 4.722 7.195 1.00 52.00 C ATOM 1349 C VAL A 79 -13.331 3.217 6.980 1.00 21.12 C ATOM 1350 O VAL A 79 -12.390 2.490 6.661 1.00 51.44 O ATOM 1351 CB VAL A 79 -13.168 5.437 5.811 1.00 52.22 C ATOM 1352 CG1 VAL A 79 -13.330 6.958 5.945 1.00 21.11 C ATOM 1353 CG2 VAL A 79 -12.007 5.097 4.854 1.00 11.12 C ATOM 0 H VAL A 79 -11.109 4.286 7.635 1.00 1.35 H new ATOM 0 HA VAL A 79 -13.879 5.142 7.832 1.00 52.00 H new ATOM 0 HB VAL A 79 -14.068 5.031 5.349 1.00 52.22 H new ATOM 0 HG11 VAL A 79 -13.371 7.408 4.953 1.00 21.11 H new ATOM 0 HG12 VAL A 79 -14.252 7.180 6.483 1.00 21.11 H new ATOM 0 HG13 VAL A 79 -12.482 7.367 6.494 1.00 21.11 H new ATOM 0 HG21 VAL A 79 -12.137 5.639 3.917 1.00 11.12 H new ATOM 0 HG22 VAL A 79 -11.061 5.386 5.312 1.00 11.12 H new ATOM 0 HG23 VAL A 79 -12.001 4.025 4.655 1.00 11.12 H new ATOM 1363 N LYS A 80 -14.593 2.789 7.165 1.00 53.10 N ATOM 1364 CA LYS A 80 -15.046 1.409 6.973 1.00 4.31 C ATOM 1365 C LYS A 80 -15.157 1.034 5.486 1.00 51.25 C ATOM 1366 O LYS A 80 -15.572 1.863 4.676 1.00 64.23 O ATOM 1367 CB LYS A 80 -16.381 1.194 7.714 1.00 10.51 C ATOM 1368 CG LYS A 80 -16.200 1.001 9.229 1.00 11.33 C ATOM 1369 CD LYS A 80 -17.533 0.777 9.962 1.00 15.03 C ATOM 1370 CE LYS A 80 -17.377 0.106 11.335 1.00 54.32 C ATOM 1371 NZ LYS A 80 -16.644 0.951 12.294 1.00 45.32 N1+ ATOM 0 H LYS A 80 -15.343 3.415 7.460 1.00 53.10 H new ATOM 0 HA LYS A 80 -14.295 0.742 7.397 1.00 4.31 H new ATOM 0 HB2 LYS A 80 -17.031 2.051 7.537 1.00 10.51 H new ATOM 0 HB3 LYS A 80 -16.885 0.321 7.299 1.00 10.51 H new ATOM 0 HG2 LYS A 80 -15.545 0.148 9.407 1.00 11.33 H new ATOM 0 HG3 LYS A 80 -15.703 1.877 9.646 1.00 11.33 H new ATOM 0 HD2 LYS A 80 -18.032 1.737 10.091 1.00 15.03 H new ATOM 0 HD3 LYS A 80 -18.182 0.162 9.338 1.00 15.03 H new ATOM 0 HE2 LYS A 80 -18.363 -0.124 11.738 1.00 54.32 H new ATOM 0 HE3 LYS A 80 -16.852 -0.842 11.215 1.00 54.32 H new ATOM 0 HZ1 LYS A 80 -16.710 0.535 13.245 1.00 45.32 H new ATOM 0 HZ2 LYS A 80 -15.645 1.011 12.011 1.00 45.32 H new ATOM 0 HZ3 LYS A 80 -17.059 1.905 12.304 1.00 45.32 H new ATOM 1385 N THR A 81 -14.777 -0.215 5.174 1.00 62.20 N ATOM 1386 CA THR A 81 -14.667 -0.751 3.817 1.00 53.21 C ATOM 1387 C THR A 81 -14.357 -2.266 3.851 1.00 74.41 C ATOM 1388 O THR A 81 -13.945 -2.787 4.886 1.00 1.11 O ATOM 1389 CB THR A 81 -13.562 -0.004 3.006 1.00 31.43 C ATOM 1390 OG1 THR A 81 -13.479 -0.475 1.675 1.00 61.52 O ATOM 1391 CG2 THR A 81 -12.147 -0.095 3.610 1.00 11.41 C ATOM 0 H THR A 81 -14.530 -0.900 5.888 1.00 62.20 H new ATOM 0 HA THR A 81 -15.626 -0.596 3.322 1.00 53.21 H new ATOM 0 HB THR A 81 -13.884 1.037 3.041 1.00 31.43 H new ATOM 0 HG1 THR A 81 -12.992 0.176 1.127 1.00 61.52 H new ATOM 0 HG21 THR A 81 -11.446 0.453 2.980 1.00 11.41 H new ATOM 0 HG22 THR A 81 -12.150 0.338 4.610 1.00 11.41 H new ATOM 0 HG23 THR A 81 -11.843 -1.140 3.668 1.00 11.41 H new ATOM 1399 N VAL A 82 -14.547 -2.946 2.710 1.00 54.21 N ATOM 1400 CA VAL A 82 -14.183 -4.347 2.494 1.00 2.52 C ATOM 1401 C VAL A 82 -13.010 -4.407 1.495 1.00 71.31 C ATOM 1402 O VAL A 82 -12.986 -3.634 0.536 1.00 45.34 O ATOM 1403 CB VAL A 82 -15.379 -5.139 1.888 1.00 3.10 C ATOM 1404 CG1 VAL A 82 -15.056 -6.606 1.542 1.00 13.34 C ATOM 1405 CG2 VAL A 82 -16.616 -5.095 2.805 1.00 41.33 C ATOM 0 H VAL A 82 -14.973 -2.518 1.888 1.00 54.21 H new ATOM 0 HA VAL A 82 -13.907 -4.788 3.452 1.00 2.52 H new ATOM 0 HB VAL A 82 -15.594 -4.627 0.950 1.00 3.10 H new ATOM 0 HG11 VAL A 82 -15.942 -7.085 1.126 1.00 13.34 H new ATOM 0 HG12 VAL A 82 -14.249 -6.638 0.810 1.00 13.34 H new ATOM 0 HG13 VAL A 82 -14.749 -7.134 2.445 1.00 13.34 H new ATOM 0 HG21 VAL A 82 -17.429 -5.659 2.347 1.00 41.33 H new ATOM 0 HG22 VAL A 82 -16.369 -5.535 3.771 1.00 41.33 H new ATOM 0 HG23 VAL A 82 -16.927 -4.060 2.947 1.00 41.33 H new ATOM 1415 N VAL A 83 -12.086 -5.358 1.719 1.00 50.33 N ATOM 1416 CA VAL A 83 -11.018 -5.700 0.775 1.00 1.45 C ATOM 1417 C VAL A 83 -11.313 -7.093 0.188 1.00 42.54 C ATOM 1418 O VAL A 83 -11.880 -7.934 0.884 1.00 75.24 O ATOM 1419 CB VAL A 83 -9.620 -5.745 1.465 1.00 14.31 C ATOM 1420 CG1 VAL A 83 -8.461 -5.935 0.459 1.00 11.14 C ATOM 1421 CG2 VAL A 83 -9.365 -4.506 2.349 1.00 54.42 C ATOM 0 H VAL A 83 -12.064 -5.915 2.573 1.00 50.33 H new ATOM 0 HA VAL A 83 -10.992 -4.932 0.002 1.00 1.45 H new ATOM 0 HB VAL A 83 -9.643 -6.624 2.110 1.00 14.31 H new ATOM 0 HG11 VAL A 83 -7.513 -5.959 0.996 1.00 11.14 H new ATOM 0 HG12 VAL A 83 -8.597 -6.873 -0.079 1.00 11.14 H new ATOM 0 HG13 VAL A 83 -8.455 -5.107 -0.250 1.00 11.14 H new ATOM 0 HG21 VAL A 83 -8.379 -4.583 2.808 1.00 54.42 H new ATOM 0 HG22 VAL A 83 -9.410 -3.606 1.736 1.00 54.42 H new ATOM 0 HG23 VAL A 83 -10.125 -4.453 3.129 1.00 54.42 H new ATOM 1431 N GLN A 84 -10.945 -7.308 -1.084 1.00 2.21 N ATOM 1432 CA GLN A 84 -11.137 -8.569 -1.803 1.00 63.42 C ATOM 1433 C GLN A 84 -9.816 -9.005 -2.445 1.00 34.52 C ATOM 1434 O GLN A 84 -9.085 -8.152 -2.945 1.00 4.42 O ATOM 1435 CB GLN A 84 -12.220 -8.382 -2.893 1.00 11.40 C ATOM 1436 CG GLN A 84 -13.633 -8.014 -2.386 1.00 5.34 C ATOM 1437 CD GLN A 84 -14.331 -9.094 -1.550 1.00 72.33 C ATOM 1438 OE1 GLN A 84 -13.812 -10.190 -1.342 1.00 52.13 O ATOM 1439 NE2 GLN A 84 -15.539 -8.789 -1.077 1.00 15.21 N ATOM 0 H GLN A 84 -10.495 -6.590 -1.652 1.00 2.21 H new ATOM 0 HA GLN A 84 -11.462 -9.340 -1.104 1.00 63.42 H new ATOM 0 HB2 GLN A 84 -11.887 -7.603 -3.579 1.00 11.40 H new ATOM 0 HB3 GLN A 84 -12.291 -9.305 -3.469 1.00 11.40 H new ATOM 0 HG2 GLN A 84 -13.561 -7.105 -1.789 1.00 5.34 H new ATOM 0 HG3 GLN A 84 -14.261 -7.781 -3.246 1.00 5.34 H new ATOM 0 HE21 GLN A 84 -15.944 -7.872 -1.266 1.00 15.21 H new ATOM 0 HE22 GLN A 84 -16.059 -9.473 -0.526 1.00 15.21 H new ATOM 1448 N LEU A 85 -9.559 -10.324 -2.441 1.00 73.01 N ATOM 1449 CA LEU A 85 -8.380 -10.949 -3.043 1.00 3.11 C ATOM 1450 C LEU A 85 -8.806 -11.784 -4.261 1.00 44.15 C ATOM 1451 O LEU A 85 -9.710 -12.614 -4.147 1.00 14.14 O ATOM 1452 CB LEU A 85 -7.663 -11.804 -1.967 1.00 74.15 C ATOM 1453 CG LEU A 85 -6.392 -12.567 -2.422 1.00 63.33 C ATOM 1454 CD1 LEU A 85 -5.255 -11.630 -2.885 1.00 45.24 C ATOM 1455 CD2 LEU A 85 -5.910 -13.533 -1.324 1.00 63.34 C ATOM 0 H LEU A 85 -10.187 -11.000 -2.005 1.00 73.01 H new ATOM 0 HA LEU A 85 -7.679 -10.193 -3.397 1.00 3.11 H new ATOM 0 HB2 LEU A 85 -7.390 -11.151 -1.138 1.00 74.15 H new ATOM 0 HB3 LEU A 85 -8.376 -12.531 -1.578 1.00 74.15 H new ATOM 0 HG LEU A 85 -6.676 -13.151 -3.297 1.00 63.33 H new ATOM 0 HD11 LEU A 85 -4.394 -12.225 -3.190 1.00 45.24 H new ATOM 0 HD12 LEU A 85 -5.598 -11.030 -3.728 1.00 45.24 H new ATOM 0 HD13 LEU A 85 -4.968 -10.972 -2.064 1.00 45.24 H new ATOM 0 HD21 LEU A 85 -5.017 -14.057 -1.666 1.00 63.34 H new ATOM 0 HD22 LEU A 85 -5.676 -12.970 -0.421 1.00 63.34 H new ATOM 0 HD23 LEU A 85 -6.695 -14.258 -1.107 1.00 63.34 H new ATOM 1467 N GLU A 86 -8.108 -11.563 -5.383 1.00 34.23 N ATOM 1468 CA GLU A 86 -8.267 -12.272 -6.652 1.00 41.11 C ATOM 1469 C GLU A 86 -7.320 -13.487 -6.721 1.00 1.21 C ATOM 1470 O GLU A 86 -6.396 -13.607 -5.915 1.00 11.02 O ATOM 1471 CB GLU A 86 -7.953 -11.293 -7.812 1.00 33.43 C ATOM 1472 CG GLU A 86 -8.732 -9.960 -7.808 1.00 24.04 C ATOM 1473 CD GLU A 86 -10.244 -10.145 -7.941 1.00 60.22 C ATOM 1474 OE1 GLU A 86 -10.709 -10.191 -9.101 1.00 65.14 O ATOM 1475 OE2 GLU A 86 -10.905 -10.235 -6.884 1.00 55.51 O1- ATOM 0 H GLU A 86 -7.382 -10.848 -5.428 1.00 34.23 H new ATOM 0 HA GLU A 86 -9.291 -12.636 -6.735 1.00 41.11 H new ATOM 0 HB2 GLU A 86 -6.887 -11.067 -7.791 1.00 33.43 H new ATOM 0 HB3 GLU A 86 -8.152 -11.803 -8.754 1.00 33.43 H new ATOM 0 HG2 GLU A 86 -8.518 -9.425 -6.883 1.00 24.04 H new ATOM 0 HG3 GLU A 86 -8.375 -9.336 -8.627 1.00 24.04 H new ATOM 1482 N GLY A 87 -7.551 -14.349 -7.724 1.00 21.24 N ATOM 1483 CA GLY A 87 -6.786 -15.575 -7.972 1.00 74.23 C ATOM 1484 C GLY A 87 -5.455 -15.343 -8.714 1.00 62.21 C ATOM 1485 O GLY A 87 -4.902 -16.308 -9.239 1.00 1.23 O ATOM 0 H GLY A 87 -8.298 -14.205 -8.403 1.00 21.24 H new ATOM 0 HA2 GLY A 87 -6.579 -16.061 -7.019 1.00 74.23 H new ATOM 0 HA3 GLY A 87 -7.400 -16.263 -8.554 1.00 74.23 H new ATOM 1489 N ASP A 88 -4.954 -14.096 -8.782 1.00 51.20 N ATOM 1490 CA ASP A 88 -3.749 -13.711 -9.522 1.00 31.33 C ATOM 1491 C ASP A 88 -2.889 -12.769 -8.652 1.00 53.45 C ATOM 1492 O ASP A 88 -2.301 -11.820 -9.164 1.00 63.51 O ATOM 1493 CB ASP A 88 -4.140 -13.126 -10.906 1.00 70.11 C ATOM 1494 CG ASP A 88 -3.060 -13.185 -11.997 1.00 60.23 C ATOM 1495 OD1 ASP A 88 -1.856 -13.213 -11.665 1.00 61.01 O ATOM 1496 OD2 ASP A 88 -3.476 -13.151 -13.176 1.00 44.22 O1- ATOM 0 H ASP A 88 -5.394 -13.308 -8.307 1.00 51.20 H new ATOM 0 HA ASP A 88 -3.128 -14.581 -9.735 1.00 31.33 H new ATOM 0 HB2 ASP A 88 -5.020 -13.658 -11.266 1.00 70.11 H new ATOM 0 HB3 ASP A 88 -4.431 -12.085 -10.768 1.00 70.11 H new ATOM 1501 N ASN A 89 -2.806 -13.067 -7.340 1.00 44.15 N ATOM 1502 CA ASN A 89 -1.953 -12.389 -6.349 1.00 32.45 C ATOM 1503 C ASN A 89 -2.341 -10.910 -6.098 1.00 53.43 C ATOM 1504 O ASN A 89 -1.485 -10.141 -5.660 1.00 3.32 O ATOM 1505 CB ASN A 89 -0.440 -12.446 -6.724 1.00 21.54 C ATOM 1506 CG ASN A 89 0.127 -13.750 -7.292 1.00 25.31 C ATOM 1507 OD1 ASN A 89 -0.390 -14.837 -7.057 1.00 53.32 O ATOM 1508 ND2 ASN A 89 1.215 -13.633 -8.054 1.00 2.41 N ATOM 0 H ASN A 89 -3.356 -13.820 -6.926 1.00 44.15 H new ATOM 0 HA ASN A 89 -2.125 -12.949 -5.430 1.00 32.45 H new ATOM 0 HB2 ASN A 89 -0.250 -11.658 -7.452 1.00 21.54 H new ATOM 0 HB3 ASN A 89 0.132 -12.198 -5.830 1.00 21.54 H new ATOM 0 HD21 ASN A 89 1.644 -14.464 -8.462 1.00 2.41 H new ATOM 0 HD22 ASN A 89 1.619 -12.713 -8.229 1.00 2.41 H new ATOM 1515 N LYS A 90 -3.589 -10.518 -6.415 1.00 32.00 N ATOM 1516 CA LYS A 90 -4.028 -9.120 -6.459 1.00 75.42 C ATOM 1517 C LYS A 90 -5.094 -8.842 -5.394 1.00 54.10 C ATOM 1518 O LYS A 90 -6.094 -9.553 -5.357 1.00 42.13 O ATOM 1519 CB LYS A 90 -4.578 -8.808 -7.871 1.00 23.24 C ATOM 1520 CG LYS A 90 -3.482 -8.727 -8.951 1.00 64.21 C ATOM 1521 CD LYS A 90 -3.944 -9.070 -10.382 1.00 11.12 C ATOM 1522 CE LYS A 90 -4.538 -7.896 -11.174 1.00 74.24 C ATOM 1523 NZ LYS A 90 -5.811 -7.424 -10.604 1.00 4.04 N1+ ATOM 0 H LYS A 90 -4.329 -11.179 -6.651 1.00 32.00 H new ATOM 0 HA LYS A 90 -3.176 -8.474 -6.246 1.00 75.42 H new ATOM 0 HB2 LYS A 90 -5.297 -9.578 -8.151 1.00 23.24 H new ATOM 0 HB3 LYS A 90 -5.119 -7.862 -7.841 1.00 23.24 H new ATOM 0 HG2 LYS A 90 -3.069 -7.718 -8.952 1.00 64.21 H new ATOM 0 HG3 LYS A 90 -2.672 -9.403 -8.676 1.00 64.21 H new ATOM 0 HD2 LYS A 90 -3.094 -9.468 -10.936 1.00 11.12 H new ATOM 0 HD3 LYS A 90 -4.689 -9.864 -10.326 1.00 11.12 H new ATOM 0 HE2 LYS A 90 -3.823 -7.073 -11.191 1.00 74.24 H new ATOM 0 HE3 LYS A 90 -4.697 -8.202 -12.208 1.00 74.24 H new ATOM 0 HZ1 LYS A 90 -6.290 -6.805 -11.289 1.00 4.04 H new ATOM 0 HZ2 LYS A 90 -6.420 -8.240 -10.391 1.00 4.04 H new ATOM 0 HZ3 LYS A 90 -5.624 -6.894 -9.729 1.00 4.04 H new ATOM 1537 N LEU A 91 -4.894 -7.774 -4.603 1.00 63.34 N ATOM 1538 CA LEU A 91 -5.909 -7.203 -3.710 1.00 44.30 C ATOM 1539 C LEU A 91 -6.566 -5.988 -4.387 1.00 43.45 C ATOM 1540 O LEU A 91 -5.918 -5.306 -5.183 1.00 4.52 O ATOM 1541 CB LEU A 91 -5.271 -6.733 -2.382 1.00 2.44 C ATOM 1542 CG LEU A 91 -4.723 -7.839 -1.458 1.00 15.32 C ATOM 1543 CD1 LEU A 91 -3.711 -7.257 -0.460 1.00 0.34 C ATOM 1544 CD2 LEU A 91 -5.841 -8.596 -0.718 1.00 64.04 C ATOM 0 H LEU A 91 -4.004 -7.276 -4.568 1.00 63.34 H new ATOM 0 HA LEU A 91 -6.650 -7.975 -3.502 1.00 44.30 H new ATOM 0 HB2 LEU A 91 -4.456 -6.049 -2.617 1.00 2.44 H new ATOM 0 HB3 LEU A 91 -6.016 -6.162 -1.828 1.00 2.44 H new ATOM 0 HG LEU A 91 -4.216 -8.564 -2.095 1.00 15.32 H new ATOM 0 HD11 LEU A 91 -3.336 -8.053 0.183 1.00 0.34 H new ATOM 0 HD12 LEU A 91 -2.880 -6.808 -1.004 1.00 0.34 H new ATOM 0 HD13 LEU A 91 -4.198 -6.496 0.150 1.00 0.34 H new ATOM 0 HD21 LEU A 91 -5.401 -9.363 -0.081 1.00 64.04 H new ATOM 0 HD22 LEU A 91 -6.409 -7.897 -0.104 1.00 64.04 H new ATOM 0 HD23 LEU A 91 -6.506 -9.064 -1.444 1.00 64.04 H new ATOM 1556 N VAL A 92 -7.827 -5.714 -4.013 1.00 1.53 N ATOM 1557 CA VAL A 92 -8.575 -4.517 -4.405 1.00 34.04 C ATOM 1558 C VAL A 92 -9.440 -4.051 -3.216 1.00 1.21 C ATOM 1559 O VAL A 92 -10.057 -4.885 -2.554 1.00 60.13 O ATOM 1560 CB VAL A 92 -9.513 -4.766 -5.628 1.00 62.55 C ATOM 1561 CG1 VAL A 92 -10.355 -3.533 -6.028 1.00 20.11 C ATOM 1562 CG2 VAL A 92 -8.745 -5.267 -6.867 1.00 51.23 C ATOM 0 H VAL A 92 -8.365 -6.339 -3.413 1.00 1.53 H new ATOM 0 HA VAL A 92 -7.845 -3.760 -4.691 1.00 34.04 H new ATOM 0 HB VAL A 92 -10.195 -5.544 -5.284 1.00 62.55 H new ATOM 0 HG11 VAL A 92 -10.981 -3.782 -6.885 1.00 20.11 H new ATOM 0 HG12 VAL A 92 -10.987 -3.237 -5.191 1.00 20.11 H new ATOM 0 HG13 VAL A 92 -9.692 -2.709 -6.291 1.00 20.11 H new ATOM 0 HG21 VAL A 92 -9.443 -5.425 -7.689 1.00 51.23 H new ATOM 0 HG22 VAL A 92 -8.002 -4.525 -7.159 1.00 51.23 H new ATOM 0 HG23 VAL A 92 -8.246 -6.206 -6.630 1.00 51.23 H new ATOM 1572 N THR A 93 -9.504 -2.727 -3.006 1.00 62.12 N ATOM 1573 CA THR A 93 -10.365 -2.055 -2.029 1.00 15.25 C ATOM 1574 C THR A 93 -10.600 -0.576 -2.443 1.00 24.45 C ATOM 1575 O THR A 93 -10.222 -0.183 -3.547 1.00 31.45 O ATOM 1576 CB THR A 93 -9.828 -2.220 -0.571 1.00 54.24 C ATOM 1577 OG1 THR A 93 -10.747 -1.758 0.403 1.00 74.54 O ATOM 1578 CG2 THR A 93 -8.486 -1.541 -0.260 1.00 53.44 C ATOM 0 H THR A 93 -8.932 -2.070 -3.537 1.00 62.12 H new ATOM 0 HA THR A 93 -11.341 -2.540 -2.029 1.00 15.25 H new ATOM 0 HB THR A 93 -9.682 -3.299 -0.518 1.00 54.24 H new ATOM 0 HG1 THR A 93 -11.512 -2.368 0.446 1.00 74.54 H new ATOM 0 HG21 THR A 93 -8.217 -1.725 0.780 1.00 53.44 H new ATOM 0 HG22 THR A 93 -7.713 -1.948 -0.912 1.00 53.44 H new ATOM 0 HG23 THR A 93 -8.574 -0.468 -0.427 1.00 53.44 H new ATOM 1586 N THR A 94 -11.254 0.207 -1.574 1.00 1.14 N ATOM 1587 CA THR A 94 -11.582 1.625 -1.748 1.00 54.14 C ATOM 1588 C THR A 94 -11.631 2.287 -0.358 1.00 52.11 C ATOM 1589 O THR A 94 -12.107 1.669 0.592 1.00 1.32 O ATOM 1590 CB THR A 94 -12.981 1.834 -2.405 1.00 44.02 C ATOM 1591 OG1 THR A 94 -13.941 0.937 -1.871 1.00 73.45 O ATOM 1592 CG2 THR A 94 -12.997 1.669 -3.930 1.00 1.00 C ATOM 0 H THR A 94 -11.586 -0.155 -0.680 1.00 1.14 H new ATOM 0 HA THR A 94 -10.821 2.061 -2.395 1.00 54.14 H new ATOM 0 HB THR A 94 -13.229 2.870 -2.172 1.00 44.02 H new ATOM 0 HG1 THR A 94 -14.808 1.092 -2.300 1.00 73.45 H new ATOM 0 HG21 THR A 94 -14.008 1.831 -4.303 1.00 1.00 H new ATOM 0 HG22 THR A 94 -12.323 2.396 -4.382 1.00 1.00 H new ATOM 0 HG23 THR A 94 -12.672 0.662 -4.190 1.00 1.00 H new ATOM 1600 N PHE A 95 -11.169 3.545 -0.265 1.00 44.12 N ATOM 1601 CA PHE A 95 -11.200 4.342 0.968 1.00 32.54 C ATOM 1602 C PHE A 95 -11.074 5.835 0.627 1.00 11.00 C ATOM 1603 O PHE A 95 -10.123 6.213 -0.046 1.00 2.23 O ATOM 1604 CB PHE A 95 -10.125 3.848 1.975 1.00 13.41 C ATOM 1605 CG PHE A 95 -8.665 3.918 1.546 1.00 33.31 C ATOM 1606 CD1 PHE A 95 -8.064 2.843 0.858 1.00 3.42 C ATOM 1607 CD2 PHE A 95 -7.930 5.108 1.719 1.00 22.23 C ATOM 1608 CE1 PHE A 95 -6.743 2.941 0.437 1.00 43.40 C ATOM 1609 CE2 PHE A 95 -6.614 5.189 1.286 1.00 44.41 C ATOM 1610 CZ PHE A 95 -6.021 4.108 0.650 1.00 64.14 C ATOM 0 H PHE A 95 -10.759 4.042 -1.056 1.00 44.12 H new ATOM 0 HA PHE A 95 -12.160 4.208 1.467 1.00 32.54 H new ATOM 0 HB2 PHE A 95 -10.233 4.428 2.892 1.00 13.41 H new ATOM 0 HB3 PHE A 95 -10.351 2.811 2.225 1.00 13.41 H new ATOM 0 HD1 PHE A 95 -8.630 1.945 0.659 1.00 3.42 H new ATOM 0 HD2 PHE A 95 -8.393 5.962 2.191 1.00 22.23 H new ATOM 0 HE1 PHE A 95 -6.275 2.104 -0.059 1.00 43.40 H new ATOM 0 HE2 PHE A 95 -6.050 6.096 1.445 1.00 44.41 H new ATOM 0 HZ PHE A 95 -4.995 4.174 0.320 1.00 64.14 H new ATOM 1620 N LYS A 96 -12.029 6.667 1.080 1.00 41.51 N ATOM 1621 CA LYS A 96 -12.096 8.122 0.842 1.00 2.14 C ATOM 1622 C LYS A 96 -12.051 8.510 -0.661 1.00 73.30 C ATOM 1623 O LYS A 96 -11.352 9.458 -1.019 1.00 44.31 O ATOM 1624 CB LYS A 96 -11.013 8.888 1.654 1.00 54.30 C ATOM 1625 CG LYS A 96 -10.960 8.555 3.157 1.00 52.21 C ATOM 1626 CD LYS A 96 -10.300 9.626 4.055 1.00 65.24 C ATOM 1627 CE LYS A 96 -8.955 10.202 3.571 1.00 44.02 C ATOM 1628 NZ LYS A 96 -9.134 11.399 2.730 1.00 40.12 N1+ ATOM 0 H LYS A 96 -12.808 6.331 1.646 1.00 41.51 H new ATOM 0 HA LYS A 96 -13.076 8.432 1.204 1.00 2.14 H new ATOM 0 HB2 LYS A 96 -10.037 8.676 1.217 1.00 54.30 H new ATOM 0 HB3 LYS A 96 -11.187 9.958 1.542 1.00 54.30 H new ATOM 0 HG2 LYS A 96 -11.978 8.387 3.510 1.00 52.21 H new ATOM 0 HG3 LYS A 96 -10.420 7.617 3.284 1.00 52.21 H new ATOM 0 HD2 LYS A 96 -11.002 10.452 4.171 1.00 65.24 H new ATOM 0 HD3 LYS A 96 -10.149 9.194 5.044 1.00 65.24 H new ATOM 0 HE2 LYS A 96 -8.338 10.455 4.433 1.00 44.02 H new ATOM 0 HE3 LYS A 96 -8.417 9.440 3.007 1.00 44.02 H new ATOM 0 HZ1 LYS A 96 -8.655 11.257 1.818 1.00 40.12 H new ATOM 0 HZ2 LYS A 96 -10.148 11.560 2.567 1.00 40.12 H new ATOM 0 HZ3 LYS A 96 -8.725 12.226 3.211 1.00 40.12 H new ATOM 1642 N ASN A 97 -12.752 7.735 -1.514 1.00 34.43 N ATOM 1643 CA ASN A 97 -12.762 7.813 -2.989 1.00 42.31 C ATOM 1644 C ASN A 97 -11.466 7.287 -3.662 1.00 20.05 C ATOM 1645 O ASN A 97 -11.405 7.254 -4.891 1.00 24.34 O ATOM 1646 CB ASN A 97 -13.128 9.249 -3.475 1.00 63.24 C ATOM 1647 CG ASN A 97 -13.654 9.343 -4.914 1.00 72.01 C ATOM 1648 OD1 ASN A 97 -14.382 8.472 -5.384 1.00 41.54 O ATOM 1649 ND2 ASN A 97 -13.290 10.416 -5.619 1.00 21.54 N ATOM 0 H ASN A 97 -13.363 6.994 -1.171 1.00 34.43 H new ATOM 0 HA ASN A 97 -13.546 7.130 -3.316 1.00 42.31 H new ATOM 0 HB2 ASN A 97 -13.881 9.661 -2.803 1.00 63.24 H new ATOM 0 HB3 ASN A 97 -12.244 9.880 -3.387 1.00 63.24 H new ATOM 0 HD21 ASN A 97 -13.618 10.531 -6.578 1.00 21.54 H new ATOM 0 HD22 ASN A 97 -12.684 11.121 -5.199 1.00 21.54 H new ATOM 1656 N ILE A 98 -10.459 6.867 -2.876 1.00 51.10 N ATOM 1657 CA ILE A 98 -9.190 6.337 -3.372 1.00 11.54 C ATOM 1658 C ILE A 98 -9.378 4.842 -3.696 1.00 44.12 C ATOM 1659 O ILE A 98 -9.307 4.002 -2.797 1.00 21.33 O ATOM 1660 CB ILE A 98 -8.019 6.503 -2.346 1.00 12.20 C ATOM 1661 CG1 ILE A 98 -7.856 7.966 -1.858 1.00 4.40 C ATOM 1662 CG2 ILE A 98 -6.684 5.965 -2.893 1.00 73.41 C ATOM 1663 CD1 ILE A 98 -7.155 8.115 -0.504 1.00 25.24 C ATOM 0 H ILE A 98 -10.512 6.890 -1.858 1.00 51.10 H new ATOM 0 HA ILE A 98 -8.916 6.905 -4.261 1.00 11.54 H new ATOM 0 HB ILE A 98 -8.297 5.898 -1.483 1.00 12.20 H new ATOM 0 HG12 ILE A 98 -7.293 8.524 -2.606 1.00 4.40 H new ATOM 0 HG13 ILE A 98 -8.842 8.425 -1.794 1.00 4.40 H new ATOM 0 HG21 ILE A 98 -5.903 6.102 -2.146 1.00 73.41 H new ATOM 0 HG22 ILE A 98 -6.785 4.904 -3.121 1.00 73.41 H new ATOM 0 HG23 ILE A 98 -6.418 6.507 -3.800 1.00 73.41 H new ATOM 0 HD11 ILE A 98 -7.086 9.171 -0.244 1.00 25.24 H new ATOM 0 HD12 ILE A 98 -7.726 7.590 0.261 1.00 25.24 H new ATOM 0 HD13 ILE A 98 -6.153 7.690 -0.564 1.00 25.24 H new ATOM 1675 N LYS A 99 -9.620 4.553 -4.986 1.00 23.23 N ATOM 1676 CA LYS A 99 -9.632 3.213 -5.573 1.00 5.21 C ATOM 1677 C LYS A 99 -8.221 2.623 -5.496 1.00 52.23 C ATOM 1678 O LYS A 99 -7.312 3.155 -6.126 1.00 5.11 O ATOM 1679 CB LYS A 99 -10.155 3.319 -7.024 1.00 24.03 C ATOM 1680 CG LYS A 99 -10.183 2.016 -7.845 1.00 41.04 C ATOM 1681 CD LYS A 99 -11.247 1.011 -7.376 1.00 15.11 C ATOM 1682 CE LYS A 99 -11.329 -0.246 -8.258 1.00 4.42 C ATOM 1683 NZ LYS A 99 -11.706 0.073 -9.648 1.00 61.23 N1+ ATOM 0 H LYS A 99 -9.820 5.281 -5.672 1.00 23.23 H new ATOM 0 HA LYS A 99 -10.295 2.541 -5.027 1.00 5.21 H new ATOM 0 HB2 LYS A 99 -11.167 3.723 -6.993 1.00 24.03 H new ATOM 0 HB3 LYS A 99 -9.538 4.044 -7.556 1.00 24.03 H new ATOM 0 HG2 LYS A 99 -10.364 2.261 -8.892 1.00 41.04 H new ATOM 0 HG3 LYS A 99 -9.202 1.543 -7.793 1.00 41.04 H new ATOM 0 HD2 LYS A 99 -11.028 0.713 -6.351 1.00 15.11 H new ATOM 0 HD3 LYS A 99 -12.220 1.502 -7.364 1.00 15.11 H new ATOM 0 HE2 LYS A 99 -10.365 -0.755 -8.252 1.00 4.42 H new ATOM 0 HE3 LYS A 99 -12.058 -0.938 -7.835 1.00 4.42 H new ATOM 0 HZ1 LYS A 99 -11.931 -0.806 -10.157 1.00 61.23 H new ATOM 0 HZ2 LYS A 99 -12.539 0.696 -9.648 1.00 61.23 H new ATOM 0 HZ3 LYS A 99 -10.914 0.554 -10.121 1.00 61.23 H new ATOM 1697 N SER A 100 -8.061 1.580 -4.680 1.00 12.14 N ATOM 1698 CA SER A 100 -6.765 1.065 -4.255 1.00 4.03 C ATOM 1699 C SER A 100 -6.614 -0.396 -4.681 1.00 14.30 C ATOM 1700 O SER A 100 -7.481 -1.218 -4.399 1.00 34.33 O ATOM 1701 CB SER A 100 -6.614 1.318 -2.745 1.00 31.31 C ATOM 1702 OG SER A 100 -7.735 0.894 -2.011 1.00 30.12 O ATOM 0 H SER A 100 -8.848 1.061 -4.290 1.00 12.14 H new ATOM 0 HA SER A 100 -5.942 1.586 -4.744 1.00 4.03 H new ATOM 0 HB2 SER A 100 -5.728 0.799 -2.380 1.00 31.31 H new ATOM 0 HB3 SER A 100 -6.453 2.382 -2.573 1.00 31.31 H new ATOM 0 HG SER A 100 -7.788 1.400 -1.173 1.00 30.12 H new ATOM 1708 N VAL A 101 -5.516 -0.662 -5.401 1.00 15.43 N ATOM 1709 CA VAL A 101 -5.204 -1.934 -6.039 1.00 41.42 C ATOM 1710 C VAL A 101 -3.739 -2.275 -5.721 1.00 73.31 C ATOM 1711 O VAL A 101 -2.877 -1.407 -5.851 1.00 50.41 O ATOM 1712 CB VAL A 101 -5.373 -1.833 -7.587 1.00 74.23 C ATOM 1713 CG1 VAL A 101 -4.960 -3.110 -8.348 1.00 15.41 C ATOM 1714 CG2 VAL A 101 -6.811 -1.442 -7.982 1.00 33.25 C ATOM 0 H VAL A 101 -4.793 0.040 -5.558 1.00 15.43 H new ATOM 0 HA VAL A 101 -5.881 -2.703 -5.666 1.00 41.42 H new ATOM 0 HB VAL A 101 -4.684 -1.043 -7.887 1.00 74.23 H new ATOM 0 HG11 VAL A 101 -5.107 -2.960 -9.418 1.00 15.41 H new ATOM 0 HG12 VAL A 101 -3.910 -3.326 -8.153 1.00 15.41 H new ATOM 0 HG13 VAL A 101 -5.571 -3.948 -8.012 1.00 15.41 H new ATOM 0 HG21 VAL A 101 -6.887 -1.382 -9.068 1.00 33.25 H new ATOM 0 HG22 VAL A 101 -7.508 -2.194 -7.610 1.00 33.25 H new ATOM 0 HG23 VAL A 101 -7.057 -0.473 -7.547 1.00 33.25 H new ATOM 1724 N THR A 102 -3.488 -3.530 -5.323 1.00 24.33 N ATOM 1725 CA THR A 102 -2.159 -4.056 -4.999 1.00 33.12 C ATOM 1726 C THR A 102 -1.920 -5.357 -5.787 1.00 23.12 C ATOM 1727 O THR A 102 -2.888 -6.031 -6.133 1.00 43.43 O ATOM 1728 CB THR A 102 -2.029 -4.390 -3.484 1.00 41.33 C ATOM 1729 OG1 THR A 102 -2.528 -3.332 -2.688 1.00 45.21 O ATOM 1730 CG2 THR A 102 -0.603 -4.696 -2.985 1.00 31.04 C ATOM 0 H THR A 102 -4.227 -4.225 -5.215 1.00 24.33 H new ATOM 0 HA THR A 102 -1.429 -3.290 -5.262 1.00 33.12 H new ATOM 0 HB THR A 102 -2.614 -5.304 -3.380 1.00 41.33 H new ATOM 0 HG1 THR A 102 -2.082 -2.496 -2.939 1.00 45.21 H new ATOM 0 HG21 THR A 102 -0.630 -4.914 -1.917 1.00 31.04 H new ATOM 0 HG22 THR A 102 -0.207 -5.558 -3.522 1.00 31.04 H new ATOM 0 HG23 THR A 102 0.038 -3.832 -3.162 1.00 31.04 H new ATOM 1738 N GLU A 103 -0.646 -5.697 -6.038 1.00 42.30 N ATOM 1739 CA GLU A 103 -0.243 -6.953 -6.663 1.00 44.25 C ATOM 1740 C GLU A 103 1.104 -7.413 -6.098 1.00 51.33 C ATOM 1741 O GLU A 103 2.090 -6.690 -6.241 1.00 41.11 O ATOM 1742 CB GLU A 103 -0.214 -6.795 -8.202 1.00 1.24 C ATOM 1743 CG GLU A 103 0.278 -8.045 -8.965 1.00 23.53 C ATOM 1744 CD GLU A 103 0.275 -7.843 -10.478 1.00 32.14 C ATOM 1745 OE1 GLU A 103 -0.814 -7.553 -11.018 1.00 13.35 O ATOM 1746 OE2 GLU A 103 1.369 -7.983 -11.067 1.00 63.03 O1- ATOM 0 H GLU A 103 0.142 -5.092 -5.806 1.00 42.30 H new ATOM 0 HA GLU A 103 -0.972 -7.729 -6.432 1.00 44.25 H new ATOM 0 HB2 GLU A 103 -1.217 -6.545 -8.548 1.00 1.24 H new ATOM 0 HB3 GLU A 103 0.430 -5.953 -8.456 1.00 1.24 H new ATOM 0 HG2 GLU A 103 1.287 -8.294 -8.637 1.00 23.53 H new ATOM 0 HG3 GLU A 103 -0.357 -8.894 -8.713 1.00 23.53 H new ATOM 1753 N LEU A 104 1.136 -8.639 -5.553 1.00 12.24 N ATOM 1754 CA LEU A 104 2.362 -9.400 -5.321 1.00 3.33 C ATOM 1755 C LEU A 104 2.797 -10.071 -6.636 1.00 4.31 C ATOM 1756 O LEU A 104 1.956 -10.567 -7.382 1.00 24.51 O ATOM 1757 CB LEU A 104 2.125 -10.412 -4.171 1.00 50.23 C ATOM 1758 CG LEU A 104 3.236 -11.470 -3.932 1.00 42.43 C ATOM 1759 CD1 LEU A 104 4.518 -10.862 -3.336 1.00 52.40 C ATOM 1760 CD2 LEU A 104 2.723 -12.628 -3.065 1.00 40.33 C ATOM 0 H LEU A 104 0.294 -9.133 -5.258 1.00 12.24 H new ATOM 0 HA LEU A 104 3.177 -8.747 -5.009 1.00 3.33 H new ATOM 0 HB2 LEU A 104 1.986 -9.851 -3.247 1.00 50.23 H new ATOM 0 HB3 LEU A 104 1.191 -10.938 -4.368 1.00 50.23 H new ATOM 0 HG LEU A 104 3.502 -11.865 -4.912 1.00 42.43 H new ATOM 0 HD11 LEU A 104 5.260 -11.647 -3.190 1.00 52.40 H new ATOM 0 HD12 LEU A 104 4.915 -10.110 -4.018 1.00 52.40 H new ATOM 0 HD13 LEU A 104 4.289 -10.397 -2.377 1.00 52.40 H new ATOM 0 HD21 LEU A 104 3.523 -13.353 -2.915 1.00 40.33 H new ATOM 0 HD22 LEU A 104 2.397 -12.243 -2.099 1.00 40.33 H new ATOM 0 HD23 LEU A 104 1.884 -13.112 -3.564 1.00 40.33 H new ATOM 1772 N ASN A 105 4.110 -10.091 -6.886 1.00 14.25 N ATOM 1773 CA ASN A 105 4.684 -10.688 -8.082 1.00 22.34 C ATOM 1774 C ASN A 105 6.045 -11.293 -7.712 1.00 31.52 C ATOM 1775 O ASN A 105 7.085 -10.697 -7.987 1.00 42.33 O ATOM 1776 CB ASN A 105 4.735 -9.639 -9.226 1.00 62.45 C ATOM 1777 CG ASN A 105 4.554 -10.276 -10.603 1.00 34.21 C ATOM 1778 OD1 ASN A 105 5.534 -10.573 -11.283 1.00 21.24 O ATOM 1779 ND2 ASN A 105 3.304 -10.492 -11.019 1.00 62.21 N ATOM 0 H ASN A 105 4.804 -9.689 -6.256 1.00 14.25 H new ATOM 0 HA ASN A 105 4.067 -11.501 -8.466 1.00 22.34 H new ATOM 0 HB2 ASN A 105 3.956 -8.893 -9.068 1.00 62.45 H new ATOM 0 HB3 ASN A 105 5.690 -9.114 -9.193 1.00 62.45 H new ATOM 0 HD21 ASN A 105 3.136 -10.918 -11.931 1.00 62.21 H new ATOM 0 HD22 ASN A 105 2.517 -10.231 -10.425 1.00 62.21 H new ATOM 1786 N GLY A 106 6.001 -12.466 -7.054 1.00 23.14 N ATOM 1787 CA GLY A 106 7.175 -13.193 -6.576 1.00 31.34 C ATOM 1788 C GLY A 106 7.708 -12.511 -5.313 1.00 2.33 C ATOM 1789 O GLY A 106 7.248 -12.804 -4.211 1.00 44.23 O ATOM 0 H GLY A 106 5.124 -12.940 -6.839 1.00 23.14 H new ATOM 0 HA2 GLY A 106 6.914 -14.229 -6.362 1.00 31.34 H new ATOM 0 HA3 GLY A 106 7.945 -13.211 -7.347 1.00 31.34 H new ATOM 1793 N ASP A 107 8.685 -11.612 -5.504 1.00 52.25 N ATOM 1794 CA ASP A 107 9.352 -10.808 -4.477 1.00 15.31 C ATOM 1795 C ASP A 107 9.107 -9.297 -4.648 1.00 53.11 C ATOM 1796 O ASP A 107 9.639 -8.523 -3.852 1.00 64.54 O ATOM 1797 CB ASP A 107 10.866 -11.111 -4.424 1.00 73.33 C ATOM 1798 CG ASP A 107 11.174 -12.563 -4.057 1.00 71.23 C ATOM 1799 OD1 ASP A 107 11.146 -12.851 -2.841 1.00 43.31 O ATOM 1800 OD2 ASP A 107 11.442 -13.351 -4.990 1.00 42.41 O1- ATOM 0 H ASP A 107 9.050 -11.418 -6.436 1.00 52.25 H new ATOM 0 HA ASP A 107 8.905 -11.097 -3.526 1.00 15.31 H new ATOM 0 HB2 ASP A 107 11.310 -10.885 -5.394 1.00 73.33 H new ATOM 0 HB3 ASP A 107 11.338 -10.451 -3.696 1.00 73.33 H new ATOM 1805 N ILE A 108 8.315 -8.890 -5.654 1.00 11.24 N ATOM 1806 CA ILE A 108 7.972 -7.490 -5.918 1.00 74.42 C ATOM 1807 C ILE A 108 6.542 -7.234 -5.394 1.00 20.20 C ATOM 1808 O ILE A 108 5.697 -8.121 -5.506 1.00 10.32 O ATOM 1809 CB ILE A 108 7.961 -7.173 -7.450 1.00 32.54 C ATOM 1810 CG1 ILE A 108 9.065 -7.885 -8.273 1.00 52.31 C ATOM 1811 CG2 ILE A 108 7.985 -5.653 -7.727 1.00 72.23 C ATOM 1812 CD1 ILE A 108 10.507 -7.577 -7.858 1.00 15.22 C ATOM 0 H ILE A 108 7.890 -9.539 -6.316 1.00 11.24 H new ATOM 0 HA ILE A 108 8.717 -6.864 -5.428 1.00 74.42 H new ATOM 0 HB ILE A 108 7.014 -7.588 -7.797 1.00 32.54 H new ATOM 0 HG12 ILE A 108 8.908 -8.961 -8.202 1.00 52.31 H new ATOM 0 HG13 ILE A 108 8.943 -7.614 -9.322 1.00 52.31 H new ATOM 0 HG21 ILE A 108 7.976 -5.479 -8.803 1.00 72.23 H new ATOM 0 HG22 ILE A 108 7.108 -5.187 -7.277 1.00 72.23 H new ATOM 0 HG23 ILE A 108 8.887 -5.219 -7.297 1.00 72.23 H new ATOM 0 HD11 ILE A 108 11.196 -8.127 -8.499 1.00 15.22 H new ATOM 0 HD12 ILE A 108 10.694 -6.508 -7.958 1.00 15.22 H new ATOM 0 HD13 ILE A 108 10.659 -7.876 -6.821 1.00 15.22 H new ATOM 1824 N ILE A 109 6.284 -6.025 -4.870 1.00 41.02 N ATOM 1825 CA ILE A 109 4.944 -5.537 -4.537 1.00 74.12 C ATOM 1826 C ILE A 109 4.696 -4.252 -5.340 1.00 72.34 C ATOM 1827 O ILE A 109 5.369 -3.249 -5.109 1.00 74.32 O ATOM 1828 CB ILE A 109 4.772 -5.220 -3.017 1.00 0.14 C ATOM 1829 CG1 ILE A 109 4.897 -6.474 -2.130 1.00 55.55 C ATOM 1830 CG2 ILE A 109 3.499 -4.417 -2.650 1.00 35.50 C ATOM 1831 CD1 ILE A 109 3.719 -7.454 -2.171 1.00 62.41 C ATOM 0 H ILE A 109 7.019 -5.349 -4.663 1.00 41.02 H new ATOM 0 HA ILE A 109 4.229 -6.322 -4.784 1.00 74.12 H new ATOM 0 HB ILE A 109 5.611 -4.557 -2.804 1.00 0.14 H new ATOM 0 HG12 ILE A 109 5.799 -7.011 -2.422 1.00 55.55 H new ATOM 0 HG13 ILE A 109 5.038 -6.151 -1.099 1.00 55.55 H new ATOM 0 HG21 ILE A 109 3.473 -4.249 -1.573 1.00 35.50 H new ATOM 0 HG22 ILE A 109 3.512 -3.457 -3.167 1.00 35.50 H new ATOM 0 HG23 ILE A 109 2.615 -4.979 -2.951 1.00 35.50 H new ATOM 0 HD11 ILE A 109 3.922 -8.295 -1.508 1.00 62.41 H new ATOM 0 HD12 ILE A 109 2.811 -6.946 -1.845 1.00 62.41 H new ATOM 0 HD13 ILE A 109 3.585 -7.819 -3.189 1.00 62.41 H new ATOM 1843 N THR A 110 3.710 -4.300 -6.244 1.00 52.21 N ATOM 1844 CA THR A 110 3.162 -3.125 -6.917 1.00 55.31 C ATOM 1845 C THR A 110 1.946 -2.622 -6.120 1.00 60.14 C ATOM 1846 O THR A 110 1.183 -3.435 -5.600 1.00 33.00 O ATOM 1847 CB THR A 110 2.679 -3.484 -8.349 1.00 23.34 C ATOM 1848 OG1 THR A 110 3.786 -3.923 -9.108 1.00 43.22 O ATOM 1849 CG2 THR A 110 2.005 -2.339 -9.134 1.00 74.24 C ATOM 0 H THR A 110 3.266 -5.173 -6.530 1.00 52.21 H new ATOM 0 HA THR A 110 3.941 -2.365 -6.978 1.00 55.31 H new ATOM 0 HB THR A 110 1.917 -4.250 -8.205 1.00 23.34 H new ATOM 0 HG1 THR A 110 3.491 -4.154 -10.014 1.00 43.22 H new ATOM 0 HG21 THR A 110 1.707 -2.699 -10.119 1.00 74.24 H new ATOM 0 HG22 THR A 110 1.124 -1.995 -8.592 1.00 74.24 H new ATOM 0 HG23 THR A 110 2.707 -1.513 -9.247 1.00 74.24 H new ATOM 1857 N ASN A 111 1.768 -1.294 -6.081 1.00 41.41 N ATOM 1858 CA ASN A 111 0.542 -0.625 -5.646 1.00 23.41 C ATOM 1859 C ASN A 111 0.173 0.428 -6.691 1.00 62.20 C ATOM 1860 O ASN A 111 1.057 1.020 -7.304 1.00 20.43 O ATOM 1861 CB ASN A 111 0.742 0.030 -4.254 1.00 72.21 C ATOM 1862 CG ASN A 111 -0.047 -0.678 -3.152 1.00 71.22 C ATOM 1863 OD1 ASN A 111 -1.374 -0.546 -3.183 1.00 2.22 O flip ATOM 1864 ND2 ASN A 111 0.528 -1.324 -2.281 1.00 23.45 N flip ATOM 0 H ASN A 111 2.498 -0.639 -6.361 1.00 41.41 H new ATOM 0 HA ASN A 111 -0.265 -1.352 -5.553 1.00 23.41 H new ATOM 0 HB2 ASN A 111 1.802 0.020 -4.001 1.00 72.21 H new ATOM 0 HB3 ASN A 111 0.436 1.075 -4.301 1.00 72.21 H new ATOM 0 HD21 ASN A 111 1.545 -1.402 -2.291 1.00 23.45 H new ATOM 0 HD22 ASN A 111 -0.011 -1.783 -1.547 1.00 23.45 H new ATOM 1871 N THR A 112 -1.138 0.663 -6.831 1.00 33.00 N ATOM 1872 CA THR A 112 -1.718 1.758 -7.597 1.00 72.14 C ATOM 1873 C THR A 112 -2.940 2.277 -6.826 1.00 63.23 C ATOM 1874 O THR A 112 -3.826 1.488 -6.499 1.00 44.44 O ATOM 1875 CB THR A 112 -2.167 1.322 -9.020 1.00 60.33 C ATOM 1876 OG1 THR A 112 -1.047 0.849 -9.742 1.00 13.12 O ATOM 1877 CG2 THR A 112 -2.809 2.437 -9.868 1.00 12.21 C ATOM 0 H THR A 112 -1.844 0.070 -6.395 1.00 33.00 H new ATOM 0 HA THR A 112 -0.956 2.528 -7.722 1.00 72.14 H new ATOM 0 HB THR A 112 -2.926 0.557 -8.854 1.00 60.33 H new ATOM 0 HG1 THR A 112 -1.329 0.572 -10.639 1.00 13.12 H new ATOM 0 HG21 THR A 112 -3.089 2.037 -10.843 1.00 12.21 H new ATOM 0 HG22 THR A 112 -3.698 2.814 -9.361 1.00 12.21 H new ATOM 0 HG23 THR A 112 -2.095 3.250 -10.001 1.00 12.21 H new ATOM 1885 N MET A 113 -2.954 3.589 -6.547 1.00 11.55 N ATOM 1886 CA MET A 113 -4.029 4.286 -5.843 1.00 52.41 C ATOM 1887 C MET A 113 -4.572 5.386 -6.767 1.00 43.21 C ATOM 1888 O MET A 113 -3.852 6.334 -7.072 1.00 62.25 O ATOM 1889 CB MET A 113 -3.520 4.876 -4.506 1.00 24.04 C ATOM 1890 CG MET A 113 -2.665 3.958 -3.616 1.00 35.13 C ATOM 1891 SD MET A 113 -3.471 2.423 -3.096 1.00 42.04 S ATOM 1892 CE MET A 113 -2.660 2.145 -1.502 1.00 12.50 C ATOM 0 H MET A 113 -2.191 4.210 -6.816 1.00 11.55 H new ATOM 0 HA MET A 113 -4.829 3.588 -5.596 1.00 52.41 H new ATOM 0 HB2 MET A 113 -2.936 5.769 -4.731 1.00 24.04 H new ATOM 0 HB3 MET A 113 -4.385 5.198 -3.927 1.00 24.04 H new ATOM 0 HG2 MET A 113 -1.751 3.706 -4.153 1.00 35.13 H new ATOM 0 HG3 MET A 113 -2.369 4.514 -2.726 1.00 35.13 H new ATOM 0 HE1 MET A 113 -3.048 1.232 -1.050 1.00 12.50 H new ATOM 0 HE2 MET A 113 -1.585 2.046 -1.653 1.00 12.50 H new ATOM 0 HE3 MET A 113 -2.857 2.989 -0.841 1.00 12.50 H new ATOM 1902 N THR A 114 -5.826 5.237 -7.207 1.00 70.23 N ATOM 1903 CA THR A 114 -6.476 6.134 -8.157 1.00 53.04 C ATOM 1904 C THR A 114 -7.582 6.927 -7.439 1.00 72.10 C ATOM 1905 O THR A 114 -8.629 6.371 -7.112 1.00 25.44 O ATOM 1906 CB THR A 114 -7.078 5.341 -9.347 1.00 25.24 C ATOM 1907 OG1 THR A 114 -6.031 4.665 -10.018 1.00 22.51 O ATOM 1908 CG2 THR A 114 -7.833 6.193 -10.383 1.00 60.41 C ATOM 0 H THR A 114 -6.427 4.471 -6.903 1.00 70.23 H new ATOM 0 HA THR A 114 -5.730 6.823 -8.553 1.00 53.04 H new ATOM 0 HB THR A 114 -7.812 4.665 -8.909 1.00 25.24 H new ATOM 0 HG1 THR A 114 -6.399 4.158 -10.772 1.00 22.51 H new ATOM 0 HG21 THR A 114 -8.216 5.549 -11.174 1.00 60.41 H new ATOM 0 HG22 THR A 114 -8.664 6.704 -9.897 1.00 60.41 H new ATOM 0 HG23 THR A 114 -7.154 6.930 -10.812 1.00 60.41 H new ATOM 1916 N LEU A 115 -7.305 8.217 -7.198 1.00 21.03 N ATOM 1917 CA LEU A 115 -8.187 9.159 -6.518 1.00 55.34 C ATOM 1918 C LEU A 115 -8.683 10.183 -7.548 1.00 64.34 C ATOM 1919 O LEU A 115 -8.039 11.216 -7.731 1.00 21.52 O ATOM 1920 CB LEU A 115 -7.396 9.800 -5.352 1.00 4.13 C ATOM 1921 CG LEU A 115 -8.123 10.897 -4.531 1.00 53.13 C ATOM 1922 CD1 LEU A 115 -9.497 10.445 -3.998 1.00 44.32 C ATOM 1923 CD2 LEU A 115 -7.215 11.435 -3.405 1.00 53.31 C ATOM 0 H LEU A 115 -6.424 8.643 -7.485 1.00 21.03 H new ATOM 0 HA LEU A 115 -9.066 8.676 -6.092 1.00 55.34 H new ATOM 0 HB2 LEU A 115 -7.097 9.006 -4.668 1.00 4.13 H new ATOM 0 HB3 LEU A 115 -6.481 10.231 -5.759 1.00 4.13 H new ATOM 0 HG LEU A 115 -8.331 11.717 -5.218 1.00 53.13 H new ATOM 0 HD11 LEU A 115 -9.953 11.258 -3.433 1.00 44.32 H new ATOM 0 HD12 LEU A 115 -10.142 10.178 -4.835 1.00 44.32 H new ATOM 0 HD13 LEU A 115 -9.368 9.579 -3.349 1.00 44.32 H new ATOM 0 HD21 LEU A 115 -7.747 12.203 -2.844 1.00 53.31 H new ATOM 0 HD22 LEU A 115 -6.943 10.619 -2.735 1.00 53.31 H new ATOM 0 HD23 LEU A 115 -6.312 11.864 -3.839 1.00 53.31 H new ATOM 1935 N GLY A 116 -9.808 9.859 -8.209 1.00 62.11 N ATOM 1936 CA GLY A 116 -10.448 10.698 -9.223 1.00 74.52 C ATOM 1937 C GLY A 116 -9.502 10.937 -10.408 1.00 34.22 C ATOM 1938 O GLY A 116 -9.169 10.004 -11.141 1.00 60.22 O ATOM 0 H GLY A 116 -10.305 8.984 -8.045 1.00 62.11 H new ATOM 0 HA2 GLY A 116 -11.363 10.220 -9.573 1.00 74.52 H new ATOM 0 HA3 GLY A 116 -10.736 11.653 -8.783 1.00 74.52 H new ATOM 1942 N ASP A 117 -9.087 12.202 -10.574 1.00 65.24 N ATOM 1943 CA ASP A 117 -8.173 12.711 -11.601 1.00 12.31 C ATOM 1944 C ASP A 117 -6.671 12.454 -11.313 1.00 24.33 C ATOM 1945 O ASP A 117 -5.842 12.850 -12.132 1.00 32.21 O ATOM 1946 CB ASP A 117 -8.436 14.207 -11.963 1.00 10.40 C ATOM 1947 CG ASP A 117 -8.684 15.197 -10.809 1.00 51.24 C ATOM 1948 OD1 ASP A 117 -8.236 16.353 -10.968 1.00 31.25 O ATOM 1949 OD2 ASP A 117 -9.380 14.834 -9.835 1.00 64.20 O1- ATOM 0 H ASP A 117 -9.404 12.945 -9.951 1.00 65.24 H new ATOM 0 HA ASP A 117 -8.410 12.113 -12.481 1.00 12.31 H new ATOM 0 HB2 ASP A 117 -7.581 14.568 -12.535 1.00 10.40 H new ATOM 0 HB3 ASP A 117 -9.301 14.243 -12.626 1.00 10.40 H new ATOM 1954 N ILE A 118 -6.329 11.793 -10.192 1.00 63.44 N ATOM 1955 CA ILE A 118 -4.953 11.444 -9.817 1.00 63.52 C ATOM 1956 C ILE A 118 -4.761 9.917 -9.941 1.00 62.02 C ATOM 1957 O ILE A 118 -5.671 9.170 -9.584 1.00 3.24 O ATOM 1958 CB ILE A 118 -4.644 11.824 -8.336 1.00 51.20 C ATOM 1959 CG1 ILE A 118 -5.072 13.265 -7.965 1.00 61.42 C ATOM 1960 CG2 ILE A 118 -3.166 11.593 -7.956 1.00 22.15 C ATOM 1961 CD1 ILE A 118 -4.419 14.384 -8.794 1.00 63.33 C ATOM 0 H ILE A 118 -7.019 11.481 -9.509 1.00 63.44 H new ATOM 0 HA ILE A 118 -4.287 11.994 -10.482 1.00 63.52 H new ATOM 0 HB ILE A 118 -5.257 11.142 -7.747 1.00 51.20 H new ATOM 0 HG12 ILE A 118 -6.154 13.343 -8.071 1.00 61.42 H new ATOM 0 HG13 ILE A 118 -4.842 13.434 -6.913 1.00 61.42 H new ATOM 0 HG21 ILE A 118 -3.010 11.875 -6.915 1.00 22.15 H new ATOM 0 HG22 ILE A 118 -2.916 10.540 -8.089 1.00 22.15 H new ATOM 0 HG23 ILE A 118 -2.526 12.201 -8.596 1.00 22.15 H new ATOM 0 HD11 ILE A 118 -4.787 15.352 -8.453 1.00 63.33 H new ATOM 0 HD12 ILE A 118 -3.337 14.344 -8.671 1.00 63.33 H new ATOM 0 HD13 ILE A 118 -4.670 14.251 -9.846 1.00 63.33 H new ATOM 1973 N VAL A 119 -3.579 9.491 -10.419 1.00 14.52 N ATOM 1974 CA VAL A 119 -3.204 8.082 -10.564 1.00 40.30 C ATOM 1975 C VAL A 119 -1.801 7.878 -9.954 1.00 12.04 C ATOM 1976 O VAL A 119 -0.796 7.907 -10.665 1.00 43.32 O ATOM 1977 CB VAL A 119 -3.217 7.617 -12.057 1.00 35.24 C ATOM 1978 CG1 VAL A 119 -2.854 6.123 -12.231 1.00 3.10 C ATOM 1979 CG2 VAL A 119 -4.573 7.880 -12.734 1.00 31.10 C ATOM 0 H VAL A 119 -2.846 10.133 -10.720 1.00 14.52 H new ATOM 0 HA VAL A 119 -3.940 7.474 -10.038 1.00 40.30 H new ATOM 0 HB VAL A 119 -2.447 8.217 -12.542 1.00 35.24 H new ATOM 0 HG11 VAL A 119 -2.881 5.863 -13.289 1.00 3.10 H new ATOM 0 HG12 VAL A 119 -1.853 5.944 -11.839 1.00 3.10 H new ATOM 0 HG13 VAL A 119 -3.572 5.508 -11.688 1.00 3.10 H new ATOM 0 HG21 VAL A 119 -4.535 7.541 -13.769 1.00 31.10 H new ATOM 0 HG22 VAL A 119 -5.356 7.338 -12.203 1.00 31.10 H new ATOM 0 HG23 VAL A 119 -4.791 8.948 -12.710 1.00 31.10 H new ATOM 1989 N PHE A 120 -1.765 7.683 -8.627 1.00 54.22 N ATOM 1990 CA PHE A 120 -0.566 7.321 -7.867 1.00 3.10 C ATOM 1991 C PHE A 120 -0.186 5.859 -8.137 1.00 33.01 C ATOM 1992 O PHE A 120 -1.080 5.023 -8.253 1.00 5.04 O ATOM 1993 CB PHE A 120 -0.859 7.549 -6.373 1.00 54.44 C ATOM 1994 CG PHE A 120 0.264 7.323 -5.373 1.00 55.23 C ATOM 1995 CD1 PHE A 120 0.027 6.596 -4.186 1.00 15.15 C ATOM 1996 CD2 PHE A 120 1.508 7.960 -5.539 1.00 34.05 C ATOM 1997 CE1 PHE A 120 1.008 6.506 -3.210 1.00 72.25 C ATOM 1998 CE2 PHE A 120 2.485 7.841 -4.564 1.00 11.14 C ATOM 1999 CZ PHE A 120 2.228 7.137 -3.395 1.00 21.32 C ATOM 0 H PHE A 120 -2.594 7.776 -8.040 1.00 54.22 H new ATOM 0 HA PHE A 120 0.278 7.939 -8.173 1.00 3.10 H new ATOM 0 HB2 PHE A 120 -1.206 8.576 -6.256 1.00 54.44 H new ATOM 0 HB3 PHE A 120 -1.688 6.898 -6.094 1.00 54.44 H new ATOM 0 HD1 PHE A 120 -0.924 6.107 -4.037 1.00 15.15 H new ATOM 0 HD2 PHE A 120 1.701 8.542 -6.428 1.00 34.05 H new ATOM 0 HE1 PHE A 120 0.821 5.945 -2.306 1.00 72.25 H new ATOM 0 HE2 PHE A 120 3.452 8.298 -4.714 1.00 11.14 H new ATOM 0 HZ PHE A 120 2.983 7.081 -2.625 1.00 21.32 H new ATOM 2009 N LYS A 121 1.120 5.575 -8.212 1.00 52.41 N ATOM 2010 CA LYS A 121 1.640 4.231 -8.453 1.00 73.41 C ATOM 2011 C LYS A 121 2.967 4.073 -7.706 1.00 64.01 C ATOM 2012 O LYS A 121 3.772 5.000 -7.731 1.00 13.03 O ATOM 2013 CB LYS A 121 1.728 3.985 -9.979 1.00 1.55 C ATOM 2014 CG LYS A 121 1.993 2.524 -10.406 1.00 70.32 C ATOM 2015 CD LYS A 121 3.469 2.136 -10.599 1.00 62.43 C ATOM 2016 CE LYS A 121 4.083 2.732 -11.875 1.00 24.15 C ATOM 2017 NZ LYS A 121 5.482 2.308 -12.047 1.00 62.52 N1+ ATOM 0 H LYS A 121 1.849 6.281 -8.106 1.00 52.41 H new ATOM 0 HA LYS A 121 0.975 3.460 -8.063 1.00 73.41 H new ATOM 0 HB2 LYS A 121 0.795 4.315 -10.436 1.00 1.55 H new ATOM 0 HB3 LYS A 121 2.521 4.613 -10.385 1.00 1.55 H new ATOM 0 HG2 LYS A 121 1.559 1.863 -9.656 1.00 70.32 H new ATOM 0 HG3 LYS A 121 1.464 2.338 -11.340 1.00 70.32 H new ATOM 0 HD2 LYS A 121 4.043 2.471 -9.735 1.00 62.43 H new ATOM 0 HD3 LYS A 121 3.552 1.050 -10.635 1.00 62.43 H new ATOM 0 HE2 LYS A 121 3.498 2.422 -12.741 1.00 24.15 H new ATOM 0 HE3 LYS A 121 4.034 3.820 -11.830 1.00 24.15 H new ATOM 0 HZ1 LYS A 121 5.657 2.087 -13.048 1.00 62.52 H new ATOM 0 HZ2 LYS A 121 6.117 3.075 -11.746 1.00 62.52 H new ATOM 0 HZ3 LYS A 121 5.662 1.462 -11.469 1.00 62.52 H new ATOM 2031 N ARG A 122 3.158 2.913 -7.056 1.00 1.23 N ATOM 2032 CA ARG A 122 4.341 2.572 -6.263 1.00 45.20 C ATOM 2033 C ARG A 122 4.908 1.205 -6.658 1.00 21.25 C ATOM 2034 O ARG A 122 4.169 0.331 -7.117 1.00 54.25 O ATOM 2035 CB ARG A 122 4.006 2.588 -4.753 1.00 32.24 C ATOM 2036 CG ARG A 122 3.587 3.978 -4.245 1.00 3.01 C ATOM 2037 CD ARG A 122 4.152 4.355 -2.863 1.00 11.54 C ATOM 2038 NE ARG A 122 3.310 3.886 -1.756 1.00 34.20 N ATOM 2039 CZ ARG A 122 3.368 4.349 -0.494 1.00 63.42 C ATOM 2040 NH1 ARG A 122 4.241 5.301 -0.134 1.00 43.43 N1+ ATOM 2041 NH2 ARG A 122 2.534 3.851 0.426 1.00 34.12 N ATOM 0 H ARG A 122 2.466 2.164 -7.072 1.00 1.23 H new ATOM 0 HA ARG A 122 5.101 3.326 -6.468 1.00 45.20 H new ATOM 0 HB2 ARG A 122 3.202 1.878 -4.557 1.00 32.24 H new ATOM 0 HB3 ARG A 122 4.875 2.248 -4.190 1.00 32.24 H new ATOM 0 HG2 ARG A 122 3.907 4.726 -4.970 1.00 3.01 H new ATOM 0 HG3 ARG A 122 2.499 4.021 -4.202 1.00 3.01 H new ATOM 0 HD2 ARG A 122 5.151 3.933 -2.757 1.00 11.54 H new ATOM 0 HD3 ARG A 122 4.255 5.438 -2.801 1.00 11.54 H new ATOM 0 HE ARG A 122 2.629 3.154 -1.959 1.00 34.20 H new ATOM 0 HH11 ARG A 122 4.882 5.692 -0.824 1.00 43.43 H new ATOM 0 HH12 ARG A 122 4.264 5.634 0.830 1.00 43.43 H new ATOM 0 HH21 ARG A 122 1.863 3.128 0.168 1.00 34.12 H new ATOM 0 HH22 ARG A 122 2.569 4.195 1.386 1.00 34.12 H new ATOM 2055 N ILE A 123 6.220 1.057 -6.417 1.00 44.02 N ATOM 2056 CA ILE A 123 6.968 -0.193 -6.511 1.00 1.53 C ATOM 2057 C ILE A 123 7.709 -0.386 -5.174 1.00 42.14 C ATOM 2058 O ILE A 123 8.303 0.562 -4.659 1.00 11.14 O ATOM 2059 CB ILE A 123 8.046 -0.165 -7.643 1.00 33.44 C ATOM 2060 CG1 ILE A 123 7.462 0.248 -9.017 1.00 44.22 C ATOM 2061 CG2 ILE A 123 8.772 -1.524 -7.783 1.00 11.42 C ATOM 2062 CD1 ILE A 123 7.437 1.769 -9.261 1.00 61.45 C ATOM 0 H ILE A 123 6.808 1.843 -6.140 1.00 44.02 H new ATOM 0 HA ILE A 123 6.264 -0.995 -6.734 1.00 1.53 H new ATOM 0 HB ILE A 123 8.766 0.594 -7.337 1.00 33.44 H new ATOM 0 HG12 ILE A 123 8.047 -0.226 -9.805 1.00 44.22 H new ATOM 0 HG13 ILE A 123 6.446 -0.139 -9.098 1.00 44.22 H new ATOM 0 HG21 ILE A 123 9.512 -1.461 -8.580 1.00 11.42 H new ATOM 0 HG22 ILE A 123 9.269 -1.769 -6.845 1.00 11.42 H new ATOM 0 HG23 ILE A 123 8.046 -2.301 -8.023 1.00 11.42 H new ATOM 0 HD11 ILE A 123 7.014 1.973 -10.245 1.00 61.45 H new ATOM 0 HD12 ILE A 123 6.827 2.250 -8.497 1.00 61.45 H new ATOM 0 HD13 ILE A 123 8.453 2.162 -9.214 1.00 61.45 H new ATOM 2074 N SER A 124 7.684 -1.629 -4.675 1.00 22.23 N ATOM 2075 CA SER A 124 8.411 -2.106 -3.504 1.00 32.50 C ATOM 2076 C SER A 124 9.021 -3.488 -3.825 1.00 25.54 C ATOM 2077 O SER A 124 8.507 -4.181 -4.703 1.00 1.51 O ATOM 2078 CB SER A 124 7.451 -2.159 -2.295 1.00 13.10 C ATOM 2079 OG SER A 124 7.167 -0.869 -1.797 1.00 34.43 O ATOM 0 H SER A 124 7.124 -2.365 -5.105 1.00 22.23 H new ATOM 0 HA SER A 124 9.226 -1.429 -3.248 1.00 32.50 H new ATOM 0 HB2 SER A 124 6.522 -2.648 -2.589 1.00 13.10 H new ATOM 0 HB3 SER A 124 7.894 -2.765 -1.505 1.00 13.10 H new ATOM 0 HG SER A 124 6.556 -0.940 -1.034 1.00 34.43 H new ATOM 2085 N LYS A 125 10.117 -3.862 -3.141 1.00 24.13 N ATOM 2086 CA LYS A 125 10.907 -5.068 -3.446 1.00 34.33 C ATOM 2087 C LYS A 125 11.414 -5.689 -2.134 1.00 1.52 C ATOM 2088 O LYS A 125 11.889 -4.951 -1.270 1.00 34.02 O ATOM 2089 CB LYS A 125 12.078 -4.660 -4.374 1.00 65.50 C ATOM 2090 CG LYS A 125 12.557 -5.703 -5.396 1.00 71.15 C ATOM 2091 CD LYS A 125 13.070 -7.034 -4.829 1.00 22.53 C ATOM 2092 CE LYS A 125 13.792 -7.879 -5.887 1.00 0.14 C ATOM 2093 NZ LYS A 125 14.225 -9.175 -5.336 1.00 21.45 N1+ ATOM 0 H LYS A 125 10.483 -3.329 -2.352 1.00 24.13 H new ATOM 0 HA LYS A 125 10.300 -5.817 -3.955 1.00 34.33 H new ATOM 0 HB2 LYS A 125 11.781 -3.764 -4.919 1.00 65.50 H new ATOM 0 HB3 LYS A 125 12.927 -4.386 -3.747 1.00 65.50 H new ATOM 0 HG2 LYS A 125 11.733 -5.917 -6.076 1.00 71.15 H new ATOM 0 HG3 LYS A 125 13.354 -5.256 -5.991 1.00 71.15 H new ATOM 0 HD2 LYS A 125 13.750 -6.835 -4.000 1.00 22.53 H new ATOM 0 HD3 LYS A 125 12.232 -7.601 -4.425 1.00 22.53 H new ATOM 0 HE2 LYS A 125 13.129 -8.046 -6.736 1.00 0.14 H new ATOM 0 HE3 LYS A 125 14.658 -7.333 -6.262 1.00 0.14 H new ATOM 0 HZ1 LYS A 125 14.710 -9.722 -6.076 1.00 21.45 H new ATOM 0 HZ2 LYS A 125 14.877 -9.014 -4.541 1.00 21.45 H new ATOM 0 HZ3 LYS A 125 13.395 -9.705 -5.001 1.00 21.45 H new ATOM 2107 N ARG A 126 11.308 -7.027 -2.012 1.00 63.52 N ATOM 2108 CA ARG A 126 11.607 -7.797 -0.800 1.00 41.42 C ATOM 2109 C ARG A 126 13.075 -7.700 -0.358 1.00 12.11 C ATOM 2110 O ARG A 126 13.976 -7.881 -1.177 1.00 24.21 O ATOM 2111 CB ARG A 126 11.116 -9.257 -0.943 1.00 33.20 C ATOM 2112 CG ARG A 126 11.197 -10.108 0.346 1.00 73.33 C ATOM 2113 CD ARG A 126 9.979 -11.013 0.611 1.00 13.21 C ATOM 2114 NE ARG A 126 9.717 -11.964 -0.476 1.00 42.13 N ATOM 2115 CZ ARG A 126 8.689 -12.829 -0.539 1.00 14.43 C ATOM 2116 NH1 ARG A 126 7.733 -12.868 0.400 1.00 70.12 N1+ ATOM 2117 NH2 ARG A 126 8.628 -13.675 -1.572 1.00 4.03 N ATOM 0 H ARG A 126 11.001 -7.617 -2.785 1.00 63.52 H new ATOM 0 HA ARG A 126 11.046 -7.338 0.014 1.00 41.42 H new ATOM 0 HB2 ARG A 126 10.081 -9.244 -1.286 1.00 33.20 H new ATOM 0 HB3 ARG A 126 11.703 -9.747 -1.720 1.00 33.20 H new ATOM 0 HG2 ARG A 126 12.089 -10.732 0.295 1.00 73.33 H new ATOM 0 HG3 ARG A 126 11.324 -9.439 1.197 1.00 73.33 H new ATOM 0 HD2 ARG A 126 10.140 -11.565 1.537 1.00 13.21 H new ATOM 0 HD3 ARG A 126 9.097 -10.390 0.760 1.00 13.21 H new ATOM 0 HE ARG A 126 10.375 -11.969 -1.255 1.00 42.13 H new ATOM 0 HH11 ARG A 126 7.771 -12.229 1.194 1.00 70.12 H new ATOM 0 HH12 ARG A 126 6.967 -13.537 0.321 1.00 70.12 H new ATOM 0 HH21 ARG A 126 9.352 -13.655 -2.291 1.00 4.03 H new ATOM 0 HH22 ARG A 126 7.858 -14.340 -1.642 1.00 4.03 H new ATOM 2131 N ILE A 127 13.257 -7.413 0.940 1.00 50.12 N ATOM 2132 CA ILE A 127 14.548 -7.200 1.610 1.00 3.32 C ATOM 2133 C ILE A 127 14.602 -8.159 2.791 1.00 21.41 C ATOM 2134 O ILE A 127 13.616 -8.626 3.369 1.00 22.53 O ATOM 2135 CB ILE A 127 14.725 -5.717 2.063 1.00 70.30 C ATOM 2136 CG1 ILE A 127 13.544 -5.167 2.911 1.00 43.04 C ATOM 2137 CG2 ILE A 127 15.016 -4.806 0.853 1.00 2.02 C ATOM 2138 CD1 ILE A 127 13.851 -3.886 3.702 1.00 0.24 C ATOM 0 H ILE A 127 12.470 -7.319 1.581 1.00 50.12 H new ATOM 0 HA ILE A 127 15.370 -7.398 0.922 1.00 3.32 H new ATOM 0 HB ILE A 127 15.587 -5.710 2.730 1.00 70.30 H new ATOM 0 HG12 ILE A 127 12.701 -4.973 2.248 1.00 43.04 H new ATOM 0 HG13 ILE A 127 13.228 -5.941 3.611 1.00 43.04 H new ATOM 0 HG21 ILE A 127 15.136 -3.777 1.193 1.00 2.02 H new ATOM 0 HG22 ILE A 127 15.932 -5.135 0.362 1.00 2.02 H new ATOM 0 HG23 ILE A 127 14.186 -4.861 0.148 1.00 2.02 H new ATOM 0 HD11 ILE A 127 12.966 -3.582 4.261 1.00 0.24 H new ATOM 0 HD12 ILE A 127 14.671 -4.074 4.395 1.00 0.24 H new ATOM 0 HD13 ILE A 127 14.135 -3.091 3.012 1.00 0.24 H new