USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 758 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 321 MET CE :methyl 161:sc= -12.9! (180deg=-9.71!) USER MOD Set 1.2: A 336 CYS SG : rot -63:sc= -9.26! USER MOD Set 2.1: A 283 SER OG : rot 36:sc= 1.32 USER MOD Set 2.2: A 319 TYR OH : rot 150:sc= 0.978 USER MOD Set 3.1: A 256 ASN : amide:sc= -4.63! C(o=-7.7!,f=-10!) USER MOD Set 3.2: A 314 THR OG1 : rot 122:sc= -3.09! USER MOD Set 4.1: A 296 HIS : no HE2:sc= -1.7! C(o=-6.9!,f=-18!) USER MOD Set 4.2: A 304 LYS NZ :NH3+ 170:sc= -5.19! (180deg=-5.46!) USER MOD Set 5.1: A 282 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 320 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 267 ASN : amide:sc= -5.54! C(o=-7.1!,f=-12!) USER MOD Set 6.2: A 269 THR OG1 : rot -159:sc= -1.56 USER MOD Single : A 251 HIS : no HD1:sc= -0.21 K(o=-0.21,f=-0.88) USER MOD Single : A 255 SER OG : rot 170:sc= -0.155 USER MOD Single : A 259 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.59) USER MOD Single : A 260 SER OG : rot 13:sc= 1.26 USER MOD Single : A 262 HIS : no HE2:sc= -6.47! C(o=-6.5!,f=-9.4!) USER MOD Single : A 266 TYR OH : rot 56:sc= -1.45 USER MOD Single : A 268 LYS NZ :NH3+ -145:sc= -0.418 (180deg=-2.3!) USER MOD Single : A 270 ASN : amide:sc= -0.442 X(o=-0.44,f=-0.86) USER MOD Single : A 276 ASN : amide:sc= -4.15! C(o=-4.2!,f=-2.9!) USER MOD Single : A 277 CYS SG : rot 48:sc= -1.76 USER MOD Single : A 278 THR OG1 : rot 180:sc= -1.55! USER MOD Single : A 290 SER OG : rot 32:sc= 0.28 USER MOD Single : A 292 LYS NZ :NH3+ -144:sc= -0.555 (180deg=-1.89!) USER MOD Single : A 293 MET CE :methyl 168:sc=-0.00876 (180deg=-0.177) USER MOD Single : A 301 LYS NZ :NH3+ -144:sc= -0.197 (180deg=-0.998) USER MOD Single : A 303 GLN : amide:sc=-0.00731 X(o=-0.0073,f=0) USER MOD Single : A 311 SER OG : rot 180:sc= -0.0103 USER MOD Single : A 317 SER OG : rot 180:sc= -0.0167 USER MOD Single : A 318 ASN : amide:sc= 0.00218 X(o=0.0022,f=0) USER MOD Single : A 322 LYS NZ :NH3+ -175:sc= -4.44! (180deg=-4.52!) USER MOD Single : A 325 ASN : amide:sc= -4.3! C(o=-4.3!,f=-18!) USER MOD Single : A 326 GLN : amide:sc=-0.00462 X(o=-0.0046,f=0) USER MOD Single : A 330 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : A 335 LYS NZ :NH3+ 165:sc= -1.36 (180deg=-1.7) USER MOD Single : A 339 SER OG : rot -20:sc= 0.628 USER MOD Single : A 340 ASN : amide:sc= 0.555 K(o=0.55,f=-2.5!) USER MOD Single : A 343 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 345 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 346 SER OG : rot 85:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 249 2.797 -7.156 -1.799 1.00 3.31 N ATOM 43 CA LEU A 249 4.005 -7.952 -1.664 1.00 4.34 C ATOM 44 C LEU A 249 4.526 -7.841 -0.229 1.00 73.31 C ATOM 45 O LEU A 249 4.464 -6.773 0.377 1.00 42.42 O ATOM 46 CB LEU A 249 5.033 -7.550 -2.723 1.00 43.23 C ATOM 47 CG LEU A 249 5.247 -6.047 -2.914 1.00 43.11 C ATOM 48 CD1 LEU A 249 5.444 -5.346 -1.569 1.00 12.15 C ATOM 49 CD2 LEU A 249 6.406 -5.776 -3.876 1.00 54.22 C ATOM 0 HA LEU A 249 3.789 -9.005 -1.846 1.00 4.34 H new ATOM 0 HB2 LEU A 249 5.990 -8.003 -2.462 1.00 43.23 H new ATOM 0 HB3 LEU A 249 4.728 -7.978 -3.678 1.00 43.23 H new ATOM 0 HG LEU A 249 4.348 -5.629 -3.367 1.00 43.11 H new ATOM 0 HD11 LEU A 249 5.594 -4.279 -1.733 1.00 12.15 H new ATOM 0 HD12 LEU A 249 4.561 -5.497 -0.947 1.00 12.15 H new ATOM 0 HD13 LEU A 249 6.317 -5.762 -1.066 1.00 12.15 H new ATOM 0 HD21 LEU A 249 6.537 -4.700 -3.994 1.00 54.22 H new ATOM 0 HD22 LEU A 249 7.321 -6.211 -3.475 1.00 54.22 H new ATOM 0 HD23 LEU A 249 6.186 -6.223 -4.845 1.00 54.22 H new ATOM 61 N LEU A 250 5.026 -8.961 0.273 1.00 43.33 N ATOM 62 CA LEU A 250 5.557 -9.003 1.625 1.00 70.23 C ATOM 63 C LEU A 250 6.962 -9.608 1.598 1.00 42.24 C ATOM 64 O LEU A 250 7.117 -10.822 1.472 1.00 3.55 O ATOM 65 CB LEU A 250 4.590 -9.736 2.557 1.00 41.10 C ATOM 66 CG LEU A 250 4.940 -9.704 4.046 1.00 25.20 C ATOM 67 CD1 LEU A 250 3.892 -8.922 4.839 1.00 33.55 C ATOM 68 CD2 LEU A 250 5.136 -11.119 4.594 1.00 60.44 C ATOM 0 H LEU A 250 5.075 -9.846 -0.232 1.00 43.33 H new ATOM 0 HA LEU A 250 5.651 -7.995 2.029 1.00 70.23 H new ATOM 0 HB2 LEU A 250 3.597 -9.306 2.428 1.00 41.10 H new ATOM 0 HB3 LEU A 250 4.530 -10.777 2.240 1.00 41.10 H new ATOM 0 HG LEU A 250 5.889 -9.180 4.163 1.00 25.20 H new ATOM 0 HD11 LEU A 250 4.165 -8.915 5.894 1.00 33.55 H new ATOM 0 HD12 LEU A 250 3.846 -7.898 4.469 1.00 33.55 H new ATOM 0 HD13 LEU A 250 2.917 -9.395 4.720 1.00 33.55 H new ATOM 0 HD21 LEU A 250 5.384 -11.067 5.654 1.00 60.44 H new ATOM 0 HD22 LEU A 250 4.217 -11.690 4.464 1.00 60.44 H new ATOM 0 HD23 LEU A 250 5.947 -11.609 4.055 1.00 60.44 H new ATOM 80 N HIS A 251 7.950 -8.733 1.717 1.00 64.31 N ATOM 81 CA HIS A 251 9.338 -9.166 1.708 1.00 54.33 C ATOM 82 C HIS A 251 9.623 -10.002 2.957 1.00 52.02 C ATOM 83 O HIS A 251 9.154 -9.677 4.046 1.00 34.04 O ATOM 84 CB HIS A 251 10.279 -7.968 1.568 1.00 0.24 C ATOM 85 CG HIS A 251 11.606 -8.300 0.928 1.00 34.51 C ATOM 86 ND1 HIS A 251 12.673 -8.820 1.640 1.00 14.44 N ATOM 87 CD2 HIS A 251 12.026 -8.184 -0.364 1.00 53.52 C ATOM 88 CE1 HIS A 251 13.684 -9.002 0.805 1.00 63.03 C ATOM 89 NE2 HIS A 251 13.282 -8.607 -0.437 1.00 54.22 N ATOM 0 H HIS A 251 7.817 -7.727 1.820 1.00 64.31 H new ATOM 0 HA HIS A 251 9.520 -9.800 0.840 1.00 54.33 H new ATOM 0 HB2 HIS A 251 9.784 -7.198 0.976 1.00 0.24 H new ATOM 0 HB3 HIS A 251 10.460 -7.544 2.556 1.00 0.24 H new ATOM 0 HD2 HIS A 251 11.436 -7.811 -1.188 1.00 53.52 H new ATOM 0 HE1 HIS A 251 14.657 -9.395 1.062 1.00 63.03 H new ATOM 0 HE2 HIS A 251 13.852 -8.632 -1.282 1.00 54.22 H new ATOM 97 N VAL A 252 10.391 -11.063 2.757 1.00 53.13 N ATOM 98 CA VAL A 252 10.744 -11.948 3.853 1.00 21.42 C ATOM 99 C VAL A 252 12.173 -12.457 3.652 1.00 2.32 C ATOM 100 O VAL A 252 12.750 -12.290 2.579 1.00 72.14 O ATOM 101 CB VAL A 252 9.718 -13.078 3.965 1.00 1.13 C ATOM 102 CG1 VAL A 252 10.054 -14.010 5.132 1.00 54.45 C ATOM 103 CG2 VAL A 252 8.300 -12.519 4.100 1.00 22.11 C ATOM 0 H VAL A 252 10.779 -11.329 1.852 1.00 53.13 H new ATOM 0 HA VAL A 252 10.720 -11.410 4.801 1.00 21.42 H new ATOM 0 HB VAL A 252 9.761 -13.663 3.046 1.00 1.13 H new ATOM 0 HG11 VAL A 252 9.310 -14.804 5.189 1.00 54.45 H new ATOM 0 HG12 VAL A 252 11.040 -14.448 4.976 1.00 54.45 H new ATOM 0 HG13 VAL A 252 10.052 -13.443 6.063 1.00 54.45 H new ATOM 0 HG21 VAL A 252 7.590 -13.342 4.178 1.00 22.11 H new ATOM 0 HG22 VAL A 252 8.237 -11.900 4.995 1.00 22.11 H new ATOM 0 HG23 VAL A 252 8.062 -11.916 3.224 1.00 22.11 H new ATOM 113 N GLU A 253 12.703 -13.067 4.702 1.00 4.41 N ATOM 114 CA GLU A 253 14.054 -13.600 4.654 1.00 21.34 C ATOM 115 C GLU A 253 14.046 -15.096 4.978 1.00 13.43 C ATOM 116 O GLU A 253 13.146 -15.581 5.662 1.00 74.23 O ATOM 117 CB GLU A 253 14.979 -12.838 5.606 1.00 74.41 C ATOM 118 CG GLU A 253 16.415 -13.355 5.505 1.00 3.12 C ATOM 119 CD GLU A 253 17.338 -12.600 6.465 1.00 73.41 C ATOM 120 OE1 GLU A 253 17.194 -11.380 6.632 1.00 30.10 O ATOM 121 OE2 GLU A 253 18.229 -13.327 7.049 1.00 31.41 O ATOM 0 H GLU A 253 12.222 -13.204 5.591 1.00 4.41 H new ATOM 0 HA GLU A 253 14.440 -13.469 3.643 1.00 21.34 H new ATOM 0 HB2 GLU A 253 14.954 -11.774 5.369 1.00 74.41 H new ATOM 0 HB3 GLU A 253 14.621 -12.945 6.630 1.00 74.41 H new ATOM 0 HG2 GLU A 253 16.439 -14.420 5.734 1.00 3.12 H new ATOM 0 HG3 GLU A 253 16.776 -13.241 4.483 1.00 3.12 H new ATOM 129 N VAL A 254 15.058 -15.784 4.472 1.00 5.24 N ATOM 130 CA VAL A 254 15.179 -17.214 4.699 1.00 1.14 C ATOM 131 C VAL A 254 16.629 -17.549 5.053 1.00 64.42 C ATOM 132 O VAL A 254 17.460 -17.739 4.166 1.00 44.31 O ATOM 133 CB VAL A 254 14.668 -17.982 3.479 1.00 61.40 C ATOM 134 CG1 VAL A 254 14.905 -19.485 3.639 1.00 34.51 C ATOM 135 CG2 VAL A 254 13.189 -17.684 3.223 1.00 65.11 C ATOM 0 H VAL A 254 15.802 -15.378 3.905 1.00 5.24 H new ATOM 0 HA VAL A 254 14.560 -17.521 5.542 1.00 1.14 H new ATOM 0 HB VAL A 254 15.233 -17.644 2.610 1.00 61.40 H new ATOM 0 HG11 VAL A 254 14.533 -20.008 2.758 1.00 34.51 H new ATOM 0 HG12 VAL A 254 15.973 -19.675 3.750 1.00 34.51 H new ATOM 0 HG13 VAL A 254 14.379 -19.844 4.523 1.00 34.51 H new ATOM 0 HG21 VAL A 254 12.851 -18.243 2.350 1.00 65.11 H new ATOM 0 HG22 VAL A 254 12.602 -17.980 4.093 1.00 65.11 H new ATOM 0 HG23 VAL A 254 13.059 -16.617 3.043 1.00 65.11 H new ATOM 145 N SER A 255 16.889 -17.613 6.350 1.00 2.35 N ATOM 146 CA SER A 255 18.225 -17.922 6.832 1.00 13.01 C ATOM 147 C SER A 255 18.570 -19.379 6.517 1.00 3.21 C ATOM 148 O SER A 255 19.451 -19.649 5.702 1.00 30.42 O ATOM 149 CB SER A 255 18.342 -17.662 8.335 1.00 1.32 C ATOM 150 OG SER A 255 19.688 -17.411 8.730 1.00 22.21 O ATOM 0 H SER A 255 16.197 -17.456 7.083 1.00 2.35 H new ATOM 0 HA SER A 255 18.933 -17.269 6.322 1.00 13.01 H new ATOM 0 HB2 SER A 255 17.720 -16.809 8.605 1.00 1.32 H new ATOM 0 HB3 SER A 255 17.958 -18.522 8.883 1.00 1.32 H new ATOM 0 HG SER A 255 19.703 -17.093 9.657 1.00 22.21 H new ATOM 156 N ASN A 256 17.859 -20.279 7.180 1.00 54.24 N ATOM 157 CA ASN A 256 18.079 -21.701 6.981 1.00 71.25 C ATOM 158 C ASN A 256 19.517 -22.049 7.369 1.00 63.41 C ATOM 159 O ASN A 256 20.313 -22.452 6.521 1.00 13.24 O ATOM 160 CB ASN A 256 17.878 -22.090 5.514 1.00 12.25 C ATOM 161 CG ASN A 256 18.325 -23.531 5.263 1.00 61.20 C ATOM 162 OD1 ASN A 256 19.000 -23.839 4.294 1.00 1.04 O ATOM 163 ND2 ASN A 256 17.912 -24.395 6.187 1.00 44.45 N ATOM 0 H ASN A 256 17.130 -20.051 7.856 1.00 54.24 H new ATOM 0 HA ASN A 256 17.363 -22.243 7.599 1.00 71.25 H new ATOM 0 HB2 ASN A 256 16.827 -21.979 5.245 1.00 12.25 H new ATOM 0 HB3 ASN A 256 18.444 -21.413 4.874 1.00 12.25 H new ATOM 0 HD21 ASN A 256 18.158 -25.382 6.109 1.00 44.45 H new ATOM 0 HD22 ASN A 256 17.349 -24.070 6.973 1.00 44.45 H new ATOM 170 N GLU A 257 19.807 -21.882 8.651 1.00 43.23 N ATOM 171 CA GLU A 257 21.136 -22.173 9.162 1.00 71.43 C ATOM 172 C GLU A 257 21.211 -23.622 9.648 1.00 5.03 C ATOM 173 O GLU A 257 20.234 -24.157 10.169 1.00 61.41 O ATOM 174 CB GLU A 257 21.520 -21.200 10.277 1.00 1.44 C ATOM 175 CG GLU A 257 21.163 -19.761 9.897 1.00 32.31 C ATOM 176 CD GLU A 257 21.250 -18.835 11.112 1.00 75.21 C ATOM 177 OE1 GLU A 257 22.063 -17.900 11.121 1.00 4.35 O ATOM 178 OE2 GLU A 257 20.432 -19.114 12.070 1.00 71.52 O ATOM 0 H GLU A 257 19.144 -21.549 9.351 1.00 43.23 H new ATOM 0 HA GLU A 257 21.853 -22.044 8.351 1.00 71.43 H new ATOM 0 HB2 GLU A 257 21.005 -21.475 11.198 1.00 1.44 H new ATOM 0 HB3 GLU A 257 22.589 -21.273 10.476 1.00 1.44 H new ATOM 0 HG2 GLU A 257 21.839 -19.409 9.118 1.00 32.31 H new ATOM 0 HG3 GLU A 257 20.155 -19.730 9.483 1.00 32.31 H new ATOM 186 N ASP A 258 22.381 -24.215 9.461 1.00 23.24 N ATOM 187 CA ASP A 258 22.597 -25.591 9.875 1.00 61.42 C ATOM 188 C ASP A 258 22.051 -25.786 11.291 1.00 51.43 C ATOM 189 O ASP A 258 21.546 -26.857 11.623 1.00 13.45 O ATOM 190 CB ASP A 258 24.088 -25.934 9.892 1.00 1.11 C ATOM 191 CG ASP A 258 24.720 -26.141 8.514 1.00 0.11 C ATOM 192 OD1 ASP A 258 24.892 -25.187 7.741 1.00 62.13 O ATOM 193 OD2 ASP A 258 25.046 -27.359 8.241 1.00 10.13 O ATOM 0 H ASP A 258 23.189 -23.768 9.028 1.00 23.24 H new ATOM 0 HA ASP A 258 22.086 -26.240 9.164 1.00 61.42 H new ATOM 0 HB2 ASP A 258 24.623 -25.135 10.404 1.00 1.11 H new ATOM 0 HB3 ASP A 258 24.230 -26.841 10.480 1.00 1.11 H new ATOM 199 N ASN A 259 22.171 -24.733 12.086 1.00 31.14 N ATOM 200 CA ASN A 259 21.696 -24.774 13.459 1.00 74.41 C ATOM 201 C ASN A 259 20.172 -24.912 13.462 1.00 13.53 C ATOM 202 O ASN A 259 19.626 -25.798 14.118 1.00 41.04 O ATOM 203 CB ASN A 259 22.056 -23.489 14.206 1.00 42.35 C ATOM 204 CG ASN A 259 23.503 -23.078 13.924 1.00 60.51 C ATOM 205 OD1 ASN A 259 24.375 -23.900 13.695 1.00 23.34 O ATOM 206 ND2 ASN A 259 23.708 -21.765 13.953 1.00 3.20 N ATOM 0 H ASN A 259 22.590 -23.846 11.806 1.00 31.14 H new ATOM 0 HA ASN A 259 22.169 -25.622 13.954 1.00 74.41 H new ATOM 0 HB2 ASN A 259 21.381 -22.688 13.905 1.00 42.35 H new ATOM 0 HB3 ASN A 259 21.918 -23.636 15.277 1.00 42.35 H new ATOM 0 HD21 ASN A 259 24.640 -21.390 13.777 1.00 3.20 H new ATOM 0 HD22 ASN A 259 22.933 -21.132 14.151 1.00 3.20 H new ATOM 213 N SER A 260 19.528 -24.021 12.723 1.00 53.34 N ATOM 214 CA SER A 260 18.078 -24.031 12.632 1.00 35.21 C ATOM 215 C SER A 260 17.613 -23.050 11.554 1.00 4.51 C ATOM 216 O SER A 260 18.433 -22.457 10.854 1.00 24.51 O ATOM 217 CB SER A 260 17.439 -23.682 13.978 1.00 22.20 C ATOM 218 OG SER A 260 17.416 -24.799 14.863 1.00 15.21 O ATOM 0 H SER A 260 19.984 -23.287 12.181 1.00 53.34 H new ATOM 0 HA SER A 260 17.760 -25.037 12.359 1.00 35.21 H new ATOM 0 HB2 SER A 260 17.992 -22.864 14.441 1.00 22.20 H new ATOM 0 HB3 SER A 260 16.421 -23.327 13.815 1.00 22.20 H new ATOM 0 HG SER A 260 17.997 -25.506 14.512 1.00 15.21 H new ATOM 224 N LEU A 261 16.300 -22.907 11.454 1.00 30.35 N ATOM 225 CA LEU A 261 15.717 -22.008 10.474 1.00 51.33 C ATOM 226 C LEU A 261 15.601 -20.607 11.078 1.00 1.02 C ATOM 227 O LEU A 261 15.915 -20.405 12.250 1.00 35.04 O ATOM 228 CB LEU A 261 14.389 -22.566 9.957 1.00 65.11 C ATOM 229 CG LEU A 261 14.475 -23.460 8.718 1.00 53.54 C ATOM 230 CD1 LEU A 261 13.155 -24.197 8.482 1.00 42.04 C ATOM 231 CD2 LEU A 261 14.909 -22.655 7.491 1.00 63.32 C ATOM 0 H LEU A 261 15.623 -23.399 12.036 1.00 30.35 H new ATOM 0 HA LEU A 261 16.364 -21.927 9.601 1.00 51.33 H new ATOM 0 HB2 LEU A 261 13.920 -23.135 10.759 1.00 65.11 H new ATOM 0 HB3 LEU A 261 13.729 -21.729 9.731 1.00 65.11 H new ATOM 0 HG LEU A 261 15.240 -24.217 8.894 1.00 53.54 H new ATOM 0 HD11 LEU A 261 13.243 -24.825 7.596 1.00 42.04 H new ATOM 0 HD12 LEU A 261 12.926 -24.819 9.347 1.00 42.04 H new ATOM 0 HD13 LEU A 261 12.355 -23.472 8.335 1.00 42.04 H new ATOM 0 HD21 LEU A 261 14.962 -23.314 6.624 1.00 63.32 H new ATOM 0 HD22 LEU A 261 14.185 -21.863 7.301 1.00 63.32 H new ATOM 0 HD23 LEU A 261 15.889 -22.215 7.673 1.00 63.32 H new ATOM 243 N HIS A 262 15.150 -19.676 10.251 1.00 50.41 N ATOM 244 CA HIS A 262 14.989 -18.300 10.689 1.00 11.42 C ATOM 245 C HIS A 262 14.367 -17.472 9.563 1.00 40.32 C ATOM 246 O HIS A 262 15.047 -17.112 8.603 1.00 5.14 O ATOM 247 CB HIS A 262 16.320 -17.727 11.181 1.00 54.11 C ATOM 248 CG HIS A 262 16.173 -16.565 12.134 1.00 2.04 C ATOM 249 ND1 HIS A 262 17.173 -16.186 13.014 1.00 74.33 N ATOM 250 CD2 HIS A 262 15.136 -15.703 12.336 1.00 13.21 C ATOM 251 CE1 HIS A 262 16.745 -15.143 13.709 1.00 14.11 C ATOM 252 NE2 HIS A 262 15.482 -14.845 13.288 1.00 71.10 N ATOM 0 H HIS A 262 14.891 -19.847 9.279 1.00 50.41 H new ATOM 0 HA HIS A 262 14.308 -18.263 11.539 1.00 11.42 H new ATOM 0 HB2 HIS A 262 16.885 -18.519 11.674 1.00 54.11 H new ATOM 0 HB3 HIS A 262 16.906 -17.406 10.320 1.00 54.11 H new ATOM 0 HD1 HIS A 262 18.084 -16.634 13.110 1.00 74.33 H new ATOM 0 HD2 HIS A 262 14.193 -15.716 11.810 1.00 13.21 H new ATOM 0 HE1 HIS A 262 17.299 -14.620 14.475 1.00 14.11 H new ATOM 260 N PHE A 263 13.081 -17.194 9.717 1.00 52.30 N ATOM 261 CA PHE A 263 12.359 -16.415 8.725 1.00 43.12 C ATOM 262 C PHE A 263 11.946 -15.054 9.290 1.00 24.31 C ATOM 263 O PHE A 263 11.322 -14.981 10.347 1.00 1.03 O ATOM 264 CB PHE A 263 11.101 -17.207 8.363 1.00 2.32 C ATOM 265 CG PHE A 263 11.380 -18.507 7.606 1.00 3.30 C ATOM 266 CD1 PHE A 263 11.610 -19.658 8.293 1.00 54.10 C ATOM 267 CD2 PHE A 263 11.399 -18.511 6.246 1.00 2.12 C ATOM 268 CE1 PHE A 263 11.869 -20.864 7.590 1.00 33.33 C ATOM 269 CE2 PHE A 263 11.658 -19.717 5.543 1.00 23.45 C ATOM 270 CZ PHE A 263 11.888 -20.869 6.230 1.00 14.44 C ATOM 0 H PHE A 263 12.520 -17.494 10.514 1.00 52.30 H new ATOM 0 HA PHE A 263 12.993 -16.240 7.856 1.00 43.12 H new ATOM 0 HB2 PHE A 263 10.556 -17.441 9.277 1.00 2.32 H new ATOM 0 HB3 PHE A 263 10.450 -16.578 7.756 1.00 2.32 H new ATOM 0 HD1 PHE A 263 11.596 -19.655 9.373 1.00 54.10 H new ATOM 0 HD2 PHE A 263 11.217 -17.597 5.701 1.00 2.12 H new ATOM 0 HE1 PHE A 263 12.051 -21.778 8.136 1.00 33.33 H new ATOM 0 HE2 PHE A 263 11.672 -19.720 4.463 1.00 23.45 H new ATOM 0 HZ PHE A 263 12.085 -21.787 5.696 1.00 14.44 H new ATOM 280 N ILE A 264 12.312 -14.011 8.560 1.00 12.43 N ATOM 281 CA ILE A 264 11.987 -12.657 8.976 1.00 42.43 C ATOM 282 C ILE A 264 11.114 -11.996 7.907 1.00 11.44 C ATOM 283 O ILE A 264 11.551 -11.805 6.774 1.00 62.45 O ATOM 284 CB ILE A 264 13.262 -11.875 9.298 1.00 43.32 C ATOM 285 CG1 ILE A 264 14.078 -12.579 10.384 1.00 34.02 C ATOM 286 CG2 ILE A 264 12.938 -10.427 9.672 1.00 31.14 C ATOM 287 CD1 ILE A 264 15.442 -11.910 10.566 1.00 34.33 C ATOM 0 H ILE A 264 12.830 -14.076 7.684 1.00 12.43 H new ATOM 0 HA ILE A 264 11.407 -12.671 9.899 1.00 42.43 H new ATOM 0 HB ILE A 264 13.880 -11.845 8.400 1.00 43.32 H new ATOM 0 HG12 ILE A 264 13.530 -12.558 11.326 1.00 34.02 H new ATOM 0 HG13 ILE A 264 14.216 -13.627 10.118 1.00 34.02 H new ATOM 0 HG21 ILE A 264 13.862 -9.894 9.896 1.00 31.14 H new ATOM 0 HG22 ILE A 264 12.431 -9.941 8.838 1.00 31.14 H new ATOM 0 HG23 ILE A 264 12.290 -10.414 10.548 1.00 31.14 H new ATOM 0 HD11 ILE A 264 16.001 -12.430 11.344 1.00 34.33 H new ATOM 0 HD12 ILE A 264 15.997 -11.954 9.629 1.00 34.33 H new ATOM 0 HD13 ILE A 264 15.301 -10.869 10.855 1.00 34.33 H new ATOM 299 N LEU A 265 9.895 -11.664 8.307 1.00 1.31 N ATOM 300 CA LEU A 265 8.957 -11.028 7.398 1.00 35.01 C ATOM 301 C LEU A 265 8.877 -9.534 7.717 1.00 14.22 C ATOM 302 O LEU A 265 8.693 -9.151 8.872 1.00 43.13 O ATOM 303 CB LEU A 265 7.603 -11.739 7.442 1.00 33.51 C ATOM 304 CG LEU A 265 7.644 -13.243 7.725 1.00 52.40 C ATOM 305 CD1 LEU A 265 7.528 -13.522 9.225 1.00 44.52 C ATOM 306 CD2 LEU A 265 6.572 -13.981 6.921 1.00 64.45 C ATOM 0 H LEU A 265 9.536 -11.824 9.248 1.00 1.31 H new ATOM 0 HA LEU A 265 9.305 -11.116 6.369 1.00 35.01 H new ATOM 0 HB2 LEU A 265 6.989 -11.262 8.206 1.00 33.51 H new ATOM 0 HB3 LEU A 265 7.102 -11.583 6.487 1.00 33.51 H new ATOM 0 HG LEU A 265 8.612 -13.626 7.400 1.00 52.40 H new ATOM 0 HD11 LEU A 265 7.560 -14.598 9.399 1.00 44.52 H new ATOM 0 HD12 LEU A 265 8.356 -13.045 9.749 1.00 44.52 H new ATOM 0 HD13 LEU A 265 6.585 -13.122 9.598 1.00 44.52 H new ATOM 0 HD21 LEU A 265 6.623 -15.048 7.140 1.00 64.45 H new ATOM 0 HD22 LEU A 265 5.587 -13.601 7.193 1.00 64.45 H new ATOM 0 HD23 LEU A 265 6.741 -13.821 5.856 1.00 64.45 H new ATOM 318 N TYR A 266 9.018 -8.730 6.674 1.00 62.05 N ATOM 319 CA TYR A 266 8.964 -7.286 6.828 1.00 24.21 C ATOM 320 C TYR A 266 7.821 -6.689 6.006 1.00 73.03 C ATOM 321 O TYR A 266 7.885 -6.657 4.778 1.00 60.12 O ATOM 322 CB TYR A 266 10.295 -6.755 6.291 1.00 54.23 C ATOM 323 CG TYR A 266 11.500 -7.633 6.633 1.00 35.20 C ATOM 324 CD1 TYR A 266 11.724 -8.800 5.932 1.00 62.45 C ATOM 325 CD2 TYR A 266 12.362 -7.259 7.643 1.00 12.43 C ATOM 326 CE1 TYR A 266 12.858 -9.627 6.254 1.00 63.23 C ATOM 327 CE2 TYR A 266 13.496 -8.085 7.966 1.00 71.44 C ATOM 328 CZ TYR A 266 13.688 -9.229 7.255 1.00 42.12 C ATOM 329 OH TYR A 266 14.759 -10.010 7.559 1.00 3.21 O ATOM 0 H TYR A 266 9.170 -9.051 5.718 1.00 62.05 H new ATOM 0 HA TYR A 266 8.797 -7.017 7.871 1.00 24.21 H new ATOM 0 HB2 TYR A 266 10.225 -6.658 5.208 1.00 54.23 H new ATOM 0 HB3 TYR A 266 10.463 -5.755 6.690 1.00 54.23 H new ATOM 0 HD1 TYR A 266 11.049 -9.093 5.142 1.00 62.45 H new ATOM 0 HD2 TYR A 266 12.186 -6.346 8.192 1.00 12.43 H new ATOM 0 HE1 TYR A 266 13.045 -10.543 5.713 1.00 63.23 H new ATOM 0 HE2 TYR A 266 14.178 -7.803 8.754 1.00 71.44 H new ATOM 0 HH TYR A 266 15.302 -10.148 6.755 1.00 3.21 H new ATOM 339 N ASN A 267 6.800 -6.230 6.716 1.00 65.51 N ATOM 340 CA ASN A 267 5.644 -5.636 6.067 1.00 21.11 C ATOM 341 C ASN A 267 6.042 -4.290 5.458 1.00 63.32 C ATOM 342 O ASN A 267 5.707 -3.237 5.997 1.00 23.05 O ATOM 343 CB ASN A 267 4.517 -5.385 7.071 1.00 25.44 C ATOM 344 CG ASN A 267 3.348 -4.652 6.412 1.00 70.04 C ATOM 345 OD1 ASN A 267 2.537 -5.230 5.707 1.00 62.13 O ATOM 346 ND2 ASN A 267 3.306 -3.350 6.679 1.00 42.12 N ATOM 0 H ASN A 267 6.750 -6.258 7.734 1.00 65.51 H new ATOM 0 HA ASN A 267 5.296 -6.327 5.299 1.00 21.11 H new ATOM 0 HB2 ASN A 267 4.171 -6.335 7.480 1.00 25.44 H new ATOM 0 HB3 ASN A 267 4.895 -4.797 7.907 1.00 25.44 H new ATOM 0 HD21 ASN A 267 2.563 -2.772 6.285 1.00 42.12 H new ATOM 0 HD22 ASN A 267 4.017 -2.929 7.277 1.00 42.12 H new ATOM 353 N LYS A 268 6.752 -4.369 4.342 1.00 72.14 N ATOM 354 CA LYS A 268 7.199 -3.170 3.653 1.00 22.31 C ATOM 355 C LYS A 268 6.060 -2.630 2.786 1.00 0.14 C ATOM 356 O LYS A 268 6.240 -2.400 1.591 1.00 35.34 O ATOM 357 CB LYS A 268 8.486 -3.449 2.874 1.00 50.14 C ATOM 358 CG LYS A 268 9.719 -3.097 3.708 1.00 44.02 C ATOM 359 CD LYS A 268 9.841 -4.020 4.922 1.00 5.42 C ATOM 360 CE LYS A 268 9.598 -3.250 6.222 1.00 22.20 C ATOM 361 NZ LYS A 268 10.357 -1.979 6.222 1.00 72.43 N ATOM 0 H LYS A 268 7.029 -5.244 3.898 1.00 72.14 H new ATOM 0 HA LYS A 268 7.451 -2.389 4.371 1.00 22.31 H new ATOM 0 HB2 LYS A 268 8.523 -4.501 2.590 1.00 50.14 H new ATOM 0 HB3 LYS A 268 8.489 -2.869 1.951 1.00 50.14 H new ATOM 0 HG2 LYS A 268 10.615 -3.180 3.092 1.00 44.02 H new ATOM 0 HG3 LYS A 268 9.655 -2.061 4.040 1.00 44.02 H new ATOM 0 HD2 LYS A 268 9.122 -4.835 4.838 1.00 5.42 H new ATOM 0 HD3 LYS A 268 10.833 -4.471 4.942 1.00 5.42 H new ATOM 0 HE2 LYS A 268 8.534 -3.045 6.336 1.00 22.20 H new ATOM 0 HE3 LYS A 268 9.898 -3.860 7.074 1.00 22.20 H new ATOM 0 HZ1 LYS A 268 10.683 -1.769 7.187 1.00 72.43 H new ATOM 0 HZ2 LYS A 268 11.179 -2.065 5.590 1.00 72.43 H new ATOM 0 HZ3 LYS A 268 9.744 -1.208 5.888 1.00 72.43 H new ATOM 374 N THR A 269 4.913 -2.442 3.423 1.00 60.54 N ATOM 375 CA THR A 269 3.745 -1.933 2.725 1.00 74.44 C ATOM 376 C THR A 269 3.169 -0.723 3.461 1.00 11.55 C ATOM 377 O THR A 269 3.715 -0.291 4.476 1.00 61.23 O ATOM 378 CB THR A 269 2.747 -3.083 2.572 1.00 33.04 C ATOM 379 OG1 THR A 269 2.750 -3.717 3.849 1.00 50.13 O ATOM 380 CG2 THR A 269 3.245 -4.168 1.616 1.00 21.41 C ATOM 0 H THR A 269 4.768 -2.633 4.414 1.00 60.54 H new ATOM 0 HA THR A 269 4.005 -1.574 1.729 1.00 74.44 H new ATOM 0 HB THR A 269 1.795 -2.692 2.212 1.00 33.04 H new ATOM 0 HG1 THR A 269 2.413 -4.633 3.760 1.00 50.13 H new ATOM 0 HG21 THR A 269 2.499 -4.960 1.544 1.00 21.41 H new ATOM 0 HG22 THR A 269 3.411 -3.735 0.630 1.00 21.41 H new ATOM 0 HG23 THR A 269 4.180 -4.583 1.992 1.00 21.41 H new ATOM 388 N ASN A 270 2.073 -0.208 2.923 1.00 62.33 N ATOM 389 CA ASN A 270 1.417 0.944 3.516 1.00 4.53 C ATOM 390 C ASN A 270 0.273 0.469 4.413 1.00 33.22 C ATOM 391 O ASN A 270 -0.620 1.245 4.750 1.00 32.22 O ATOM 392 CB ASN A 270 0.827 1.857 2.440 1.00 74.02 C ATOM 393 CG ASN A 270 0.424 3.210 3.029 1.00 40.53 C ATOM 394 OD1 ASN A 270 1.141 3.815 3.809 1.00 42.33 O ATOM 395 ND2 ASN A 270 -0.760 3.650 2.613 1.00 13.53 N ATOM 0 H ASN A 270 1.623 -0.568 2.082 1.00 62.33 H new ATOM 0 HA ASN A 270 2.161 1.497 4.089 1.00 4.53 H new ATOM 0 HB2 ASN A 270 1.557 2.006 1.644 1.00 74.02 H new ATOM 0 HB3 ASN A 270 -0.043 1.379 1.989 1.00 74.02 H new ATOM 0 HD21 ASN A 270 -1.118 4.544 2.948 1.00 13.53 H new ATOM 0 HD22 ASN A 270 -1.310 3.093 1.959 1.00 13.53 H new ATOM 402 N ILE A 271 0.336 -0.804 4.774 1.00 23.42 N ATOM 403 CA ILE A 271 -0.684 -1.393 5.625 1.00 2.24 C ATOM 404 C ILE A 271 -0.048 -1.835 6.945 1.00 61.53 C ATOM 405 O ILE A 271 1.175 -1.853 7.073 1.00 2.23 O ATOM 406 CB ILE A 271 -1.415 -2.516 4.887 1.00 22.25 C ATOM 407 CG1 ILE A 271 -1.103 -3.877 5.514 1.00 71.02 C ATOM 408 CG2 ILE A 271 -1.096 -2.487 3.391 1.00 33.43 C ATOM 409 CD1 ILE A 271 -1.621 -5.017 4.634 1.00 3.11 C ATOM 0 H ILE A 271 1.078 -1.445 4.492 1.00 23.42 H new ATOM 0 HA ILE A 271 -1.448 -0.655 5.871 1.00 2.24 H new ATOM 0 HB ILE A 271 -2.488 -2.352 4.990 1.00 22.25 H new ATOM 0 HG12 ILE A 271 -0.027 -3.980 5.652 1.00 71.02 H new ATOM 0 HG13 ILE A 271 -1.559 -3.939 6.502 1.00 71.02 H new ATOM 0 HG21 ILE A 271 -1.628 -3.295 2.890 1.00 33.43 H new ATOM 0 HG22 ILE A 271 -1.409 -1.531 2.971 1.00 33.43 H new ATOM 0 HG23 ILE A 271 -0.023 -2.614 3.245 1.00 33.43 H new ATOM 0 HD11 ILE A 271 -1.387 -5.973 5.102 1.00 3.11 H new ATOM 0 HD12 ILE A 271 -2.701 -4.925 4.518 1.00 3.11 H new ATOM 0 HD13 ILE A 271 -1.145 -4.966 3.655 1.00 3.11 H new ATOM 421 N ILE A 272 -0.907 -2.182 7.892 1.00 71.43 N ATOM 422 CA ILE A 272 -0.445 -2.624 9.196 1.00 4.05 C ATOM 423 C ILE A 272 -0.965 -4.037 9.466 1.00 73.10 C ATOM 424 O ILE A 272 -2.121 -4.343 9.175 1.00 44.13 O ATOM 425 CB ILE A 272 -0.833 -1.610 10.274 1.00 1.41 C ATOM 426 CG1 ILE A 272 -0.132 -0.269 10.043 1.00 34.00 C ATOM 427 CG2 ILE A 272 -0.561 -2.165 11.673 1.00 4.15 C ATOM 428 CD1 ILE A 272 -0.956 0.886 10.617 1.00 62.12 C ATOM 0 H ILE A 272 -1.921 -2.166 7.782 1.00 71.43 H new ATOM 0 HA ILE A 272 0.644 -2.676 9.216 1.00 4.05 H new ATOM 0 HB ILE A 272 -1.906 -1.430 10.203 1.00 1.41 H new ATOM 0 HG12 ILE A 272 0.853 -0.284 10.509 1.00 34.00 H new ATOM 0 HG13 ILE A 272 0.023 -0.115 8.975 1.00 34.00 H new ATOM 0 HG21 ILE A 272 -0.846 -1.424 12.420 1.00 4.15 H new ATOM 0 HG22 ILE A 272 -1.143 -3.074 11.823 1.00 4.15 H new ATOM 0 HG23 ILE A 272 0.500 -2.393 11.774 1.00 4.15 H new ATOM 0 HD11 ILE A 272 -0.436 1.827 10.440 1.00 62.12 H new ATOM 0 HD12 ILE A 272 -1.932 0.913 10.132 1.00 62.12 H new ATOM 0 HD13 ILE A 272 -1.088 0.741 11.689 1.00 62.12 H new ATOM 440 N ILE A 273 -0.088 -4.861 10.019 1.00 22.23 N ATOM 441 CA ILE A 273 -0.444 -6.235 10.331 1.00 15.24 C ATOM 442 C ILE A 273 -1.259 -6.264 11.626 1.00 31.01 C ATOM 443 O ILE A 273 -0.930 -5.569 12.586 1.00 33.34 O ATOM 444 CB ILE A 273 0.805 -7.117 10.371 1.00 71.12 C ATOM 445 CG1 ILE A 273 1.193 -7.581 8.965 1.00 30.24 C ATOM 446 CG2 ILE A 273 0.616 -8.293 11.331 1.00 75.20 C ATOM 447 CD1 ILE A 273 1.635 -6.399 8.100 1.00 34.21 C ATOM 0 H ILE A 273 0.869 -4.604 10.259 1.00 22.23 H new ATOM 0 HA ILE A 273 -1.075 -6.652 9.546 1.00 15.24 H new ATOM 0 HB ILE A 273 1.633 -6.520 10.753 1.00 71.12 H new ATOM 0 HG12 ILE A 273 2.000 -8.311 9.029 1.00 30.24 H new ATOM 0 HG13 ILE A 273 0.346 -8.082 8.497 1.00 30.24 H new ATOM 0 HG21 ILE A 273 1.519 -8.904 11.340 1.00 75.20 H new ATOM 0 HG22 ILE A 273 0.423 -7.916 12.335 1.00 75.20 H new ATOM 0 HG23 ILE A 273 -0.229 -8.899 11.003 1.00 75.20 H new ATOM 0 HD11 ILE A 273 1.905 -6.756 7.106 1.00 34.21 H new ATOM 0 HD12 ILE A 273 0.818 -5.682 8.018 1.00 34.21 H new ATOM 0 HD13 ILE A 273 2.497 -5.915 8.558 1.00 34.21 H new ATOM 459 N PRO A 274 -2.334 -7.097 11.610 1.00 11.11 N ATOM 460 CA PRO A 274 -3.198 -7.226 12.771 1.00 13.20 C ATOM 461 C PRO A 274 -2.526 -8.058 13.865 1.00 13.12 C ATOM 462 O PRO A 274 -2.832 -7.900 15.046 1.00 3.42 O ATOM 463 CB PRO A 274 -4.475 -7.859 12.243 1.00 61.33 C ATOM 464 CG PRO A 274 -4.108 -8.486 10.907 1.00 3.33 C ATOM 465 CD PRO A 274 -2.754 -7.935 10.491 1.00 42.24 C ATOM 0 HA PRO A 274 -3.411 -6.268 13.245 1.00 13.20 H new ATOM 0 HB2 PRO A 274 -4.854 -8.610 12.936 1.00 61.33 H new ATOM 0 HB3 PRO A 274 -5.260 -7.112 12.122 1.00 61.33 H new ATOM 0 HG2 PRO A 274 -4.068 -9.572 10.993 1.00 3.33 H new ATOM 0 HG3 PRO A 274 -4.862 -8.253 10.156 1.00 3.33 H new ATOM 0 HD2 PRO A 274 -2.040 -8.737 10.308 1.00 42.24 H new ATOM 0 HD3 PRO A 274 -2.828 -7.357 9.570 1.00 42.24 H new ATOM 473 N GLY A 275 -1.624 -8.926 13.433 1.00 24.24 N ATOM 474 CA GLY A 275 -0.906 -9.783 14.361 1.00 23.35 C ATOM 475 C GLY A 275 -1.722 -11.033 14.698 1.00 15.41 C ATOM 476 O GLY A 275 -2.604 -11.427 13.936 1.00 45.44 O ATOM 0 H GLY A 275 -1.374 -9.055 12.453 1.00 24.24 H new ATOM 0 HA2 GLY A 275 0.050 -10.075 13.926 1.00 23.35 H new ATOM 0 HA3 GLY A 275 -0.686 -9.231 15.275 1.00 23.35 H new ATOM 480 N ASN A 276 -1.401 -11.621 15.841 1.00 43.22 N ATOM 481 CA ASN A 276 -2.094 -12.817 16.288 1.00 64.33 C ATOM 482 C ASN A 276 -2.346 -13.733 15.088 1.00 33.04 C ATOM 483 O ASN A 276 -3.335 -14.464 15.059 1.00 62.43 O ATOM 484 CB ASN A 276 -3.447 -12.470 16.911 1.00 51.34 C ATOM 485 CG ASN A 276 -3.985 -11.151 16.352 1.00 54.02 C ATOM 486 OD1 ASN A 276 -3.750 -10.079 16.885 1.00 52.03 O ATOM 487 ND2 ASN A 276 -4.719 -11.289 15.251 1.00 20.22 N ATOM 0 H ASN A 276 -0.670 -11.291 16.471 1.00 43.22 H new ATOM 0 HA ASN A 276 -1.470 -13.309 17.034 1.00 64.33 H new ATOM 0 HB2 ASN A 276 -4.159 -13.271 16.712 1.00 51.34 H new ATOM 0 HB3 ASN A 276 -3.345 -12.396 17.994 1.00 51.34 H new ATOM 0 HD21 ASN A 276 -5.124 -10.468 14.802 1.00 20.22 H new ATOM 0 HD22 ASN A 276 -4.877 -12.216 14.856 1.00 20.22 H new ATOM 494 N CYS A 277 -1.436 -13.663 14.129 1.00 44.23 N ATOM 495 CA CYS A 277 -1.547 -14.476 12.930 1.00 74.50 C ATOM 496 C CYS A 277 -0.887 -15.829 13.204 1.00 2.01 C ATOM 497 O CYS A 277 -0.488 -16.112 14.333 1.00 51.41 O ATOM 498 CB CYS A 277 -0.936 -13.779 11.714 1.00 44.44 C ATOM 499 SG CYS A 277 -2.125 -12.573 11.020 1.00 21.00 S ATOM 0 H CYS A 277 -0.617 -13.055 14.158 1.00 44.23 H new ATOM 0 HA CYS A 277 -2.599 -14.628 12.688 1.00 74.50 H new ATOM 0 HB2 CYS A 277 -0.015 -13.271 12.001 1.00 44.44 H new ATOM 0 HB3 CYS A 277 -0.670 -14.517 10.957 1.00 44.44 H new ATOM 0 HG CYS A 277 -2.603 -11.835 11.977 1.00 21.00 H new ATOM 505 N THR A 278 -0.791 -16.629 12.152 1.00 12.14 N ATOM 506 CA THR A 278 -0.186 -17.945 12.266 1.00 43.04 C ATOM 507 C THR A 278 0.408 -18.376 10.923 1.00 3.12 C ATOM 508 O THR A 278 -0.281 -18.371 9.905 1.00 53.53 O ATOM 509 CB THR A 278 -1.247 -18.910 12.798 1.00 13.51 C ATOM 510 OG1 THR A 278 -1.962 -18.142 13.763 1.00 44.43 O ATOM 511 CG2 THR A 278 -0.642 -20.057 13.609 1.00 2.24 C ATOM 0 H THR A 278 -1.122 -16.391 11.217 1.00 12.14 H new ATOM 0 HA THR A 278 0.648 -17.937 12.968 1.00 43.04 H new ATOM 0 HB THR A 278 -1.818 -19.318 11.963 1.00 13.51 H new ATOM 0 HG1 THR A 278 -2.671 -18.691 14.158 1.00 44.43 H new ATOM 0 HG21 THR A 278 -1.438 -20.712 13.963 1.00 2.24 H new ATOM 0 HG22 THR A 278 0.043 -20.626 12.980 1.00 2.24 H new ATOM 0 HG23 THR A 278 -0.099 -19.652 14.463 1.00 2.24 H new ATOM 519 N PHE A 279 1.682 -18.739 10.965 1.00 32.13 N ATOM 520 CA PHE A 279 2.377 -19.172 9.765 1.00 75.22 C ATOM 521 C PHE A 279 2.045 -20.629 9.435 1.00 63.10 C ATOM 522 O PHE A 279 1.389 -21.313 10.219 1.00 62.00 O ATOM 523 CB PHE A 279 3.875 -19.054 10.048 1.00 3.13 C ATOM 524 CG PHE A 279 4.710 -18.660 8.828 1.00 62.30 C ATOM 525 CD1 PHE A 279 4.408 -17.531 8.133 1.00 2.10 C ATOM 526 CD2 PHE A 279 5.754 -19.440 8.438 1.00 3.33 C ATOM 527 CE1 PHE A 279 5.183 -17.166 7.001 1.00 50.44 C ATOM 528 CE2 PHE A 279 6.529 -19.074 7.306 1.00 61.53 C ATOM 529 CZ PHE A 279 6.227 -17.945 6.611 1.00 60.13 C ATOM 0 H PHE A 279 2.251 -18.742 11.812 1.00 32.13 H new ATOM 0 HA PHE A 279 2.074 -18.557 8.917 1.00 75.22 H new ATOM 0 HB2 PHE A 279 4.029 -18.315 10.834 1.00 3.13 H new ATOM 0 HB3 PHE A 279 4.238 -20.008 10.431 1.00 3.13 H new ATOM 0 HD1 PHE A 279 3.579 -16.912 8.442 1.00 2.10 H new ATOM 0 HD2 PHE A 279 5.993 -20.337 8.989 1.00 3.33 H new ATOM 0 HE1 PHE A 279 4.943 -16.269 6.449 1.00 50.44 H new ATOM 0 HE2 PHE A 279 7.359 -19.693 6.997 1.00 61.53 H new ATOM 0 HZ PHE A 279 6.816 -17.667 5.750 1.00 60.13 H new ATOM 539 N GLU A 280 2.514 -21.061 8.274 1.00 44.24 N ATOM 540 CA GLU A 280 2.276 -22.424 7.830 1.00 23.04 C ATOM 541 C GLU A 280 3.175 -22.759 6.639 1.00 61.35 C ATOM 542 O GLU A 280 2.799 -22.532 5.490 1.00 42.24 O ATOM 543 CB GLU A 280 0.802 -22.638 7.482 1.00 11.34 C ATOM 544 CG GLU A 280 0.613 -23.909 6.652 1.00 1.02 C ATOM 545 CD GLU A 280 -0.668 -24.642 7.056 1.00 61.14 C ATOM 546 OE1 GLU A 280 -1.088 -24.561 8.219 1.00 31.35 O ATOM 547 OE2 GLU A 280 -1.232 -25.314 6.110 1.00 15.20 O ATOM 0 H GLU A 280 3.058 -20.491 7.627 1.00 44.24 H new ATOM 0 HA GLU A 280 2.524 -23.100 8.648 1.00 23.04 H new ATOM 0 HB2 GLU A 280 0.215 -22.707 8.398 1.00 11.34 H new ATOM 0 HB3 GLU A 280 0.427 -21.778 6.927 1.00 11.34 H new ATOM 0 HG2 GLU A 280 0.572 -23.653 5.593 1.00 1.02 H new ATOM 0 HG3 GLU A 280 1.471 -24.567 6.788 1.00 1.02 H new ATOM 555 N PHE A 281 4.345 -23.295 6.953 1.00 45.11 N ATOM 556 CA PHE A 281 5.301 -23.664 5.922 1.00 12.21 C ATOM 557 C PHE A 281 5.459 -25.183 5.840 1.00 63.40 C ATOM 558 O PHE A 281 5.834 -25.826 6.820 1.00 43.24 O ATOM 559 CB PHE A 281 6.643 -23.043 6.314 1.00 63.32 C ATOM 560 CG PHE A 281 7.203 -23.558 7.642 1.00 53.22 C ATOM 561 CD1 PHE A 281 6.711 -23.081 8.817 1.00 44.11 C ATOM 562 CD2 PHE A 281 8.191 -24.492 7.647 1.00 2.30 C ATOM 563 CE1 PHE A 281 7.231 -23.558 10.049 1.00 34.33 C ATOM 564 CE2 PHE A 281 8.710 -24.969 8.880 1.00 65.15 C ATOM 565 CZ PHE A 281 8.219 -24.492 10.055 1.00 62.23 C ATOM 0 H PHE A 281 4.653 -23.483 7.907 1.00 45.11 H new ATOM 0 HA PHE A 281 4.957 -23.309 4.951 1.00 12.21 H new ATOM 0 HB2 PHE A 281 7.368 -23.241 5.524 1.00 63.32 H new ATOM 0 HB3 PHE A 281 6.527 -21.961 6.376 1.00 63.32 H new ATOM 0 HD1 PHE A 281 5.925 -22.340 8.813 1.00 44.11 H new ATOM 0 HD2 PHE A 281 8.581 -24.871 6.714 1.00 2.30 H new ATOM 0 HE1 PHE A 281 6.841 -23.179 10.982 1.00 34.33 H new ATOM 0 HE2 PHE A 281 9.495 -25.711 8.884 1.00 65.15 H new ATOM 0 HZ PHE A 281 8.614 -24.855 10.993 1.00 62.23 H new ATOM 575 N SER A 282 5.166 -25.714 4.662 1.00 31.10 N ATOM 576 CA SER A 282 5.271 -27.146 4.439 1.00 21.12 C ATOM 577 C SER A 282 6.446 -27.446 3.506 1.00 1.50 C ATOM 578 O SER A 282 6.926 -26.559 2.801 1.00 14.55 O ATOM 579 CB SER A 282 3.974 -27.710 3.857 1.00 54.45 C ATOM 580 OG SER A 282 3.651 -27.119 2.600 1.00 4.45 O ATOM 0 H SER A 282 4.856 -25.178 3.852 1.00 31.10 H new ATOM 0 HA SER A 282 5.446 -27.629 5.400 1.00 21.12 H new ATOM 0 HB2 SER A 282 4.070 -28.789 3.736 1.00 54.45 H new ATOM 0 HB3 SER A 282 3.157 -27.539 4.558 1.00 54.45 H new ATOM 0 HG SER A 282 2.817 -27.507 2.261 1.00 4.45 H new ATOM 586 N SER A 283 6.876 -28.698 3.531 1.00 30.54 N ATOM 587 CA SER A 283 7.986 -29.126 2.696 1.00 13.04 C ATOM 588 C SER A 283 7.621 -30.419 1.963 1.00 3.53 C ATOM 589 O SER A 283 7.551 -30.441 0.735 1.00 34.25 O ATOM 590 CB SER A 283 9.255 -29.327 3.527 1.00 14.33 C ATOM 591 OG SER A 283 10.327 -29.849 2.747 1.00 53.31 O ATOM 0 H SER A 283 6.476 -29.431 4.117 1.00 30.54 H new ATOM 0 HA SER A 283 8.184 -28.344 1.963 1.00 13.04 H new ATOM 0 HB2 SER A 283 9.556 -28.375 3.965 1.00 14.33 H new ATOM 0 HB3 SER A 283 9.044 -30.006 4.353 1.00 14.33 H new ATOM 0 HG SER A 283 10.288 -29.471 1.844 1.00 53.31 H new ATOM 660 N VAL A 288 2.181 -30.488 7.660 1.00 4.30 N ATOM 661 CA VAL A 288 2.559 -29.092 7.805 1.00 31.14 C ATOM 662 C VAL A 288 2.437 -28.686 9.275 1.00 2.24 C ATOM 663 O VAL A 288 1.868 -29.421 10.081 1.00 1.42 O ATOM 664 CB VAL A 288 1.714 -28.222 6.873 1.00 42.43 C ATOM 665 CG1 VAL A 288 0.265 -28.146 7.356 1.00 34.51 C ATOM 666 CG2 VAL A 288 2.318 -26.823 6.731 1.00 24.14 C ATOM 0 HA VAL A 288 3.598 -28.945 7.512 1.00 31.14 H new ATOM 0 HB VAL A 288 1.714 -28.689 5.888 1.00 42.43 H new ATOM 0 HG11 VAL A 288 -0.313 -27.521 6.675 1.00 34.51 H new ATOM 0 HG12 VAL A 288 -0.163 -29.148 7.381 1.00 34.51 H new ATOM 0 HG13 VAL A 288 0.237 -27.714 8.356 1.00 34.51 H new ATOM 0 HG21 VAL A 288 1.698 -26.225 6.063 1.00 24.14 H new ATOM 0 HG22 VAL A 288 2.363 -26.345 7.710 1.00 24.14 H new ATOM 0 HG23 VAL A 288 3.324 -26.901 6.319 1.00 24.14 H new ATOM 676 N PHE A 289 2.981 -27.517 9.580 1.00 2.21 N ATOM 677 CA PHE A 289 2.941 -27.004 10.939 1.00 13.11 C ATOM 678 C PHE A 289 2.610 -25.510 10.952 1.00 64.02 C ATOM 679 O PHE A 289 2.998 -24.777 10.043 1.00 72.21 O ATOM 680 CB PHE A 289 4.334 -27.211 11.537 1.00 73.21 C ATOM 681 CG PHE A 289 4.349 -27.291 13.065 1.00 44.01 C ATOM 682 CD1 PHE A 289 4.351 -26.150 13.805 1.00 24.33 C ATOM 683 CD2 PHE A 289 4.361 -28.503 13.682 1.00 3.34 C ATOM 684 CE1 PHE A 289 4.366 -26.224 15.223 1.00 31.34 C ATOM 685 CE2 PHE A 289 4.376 -28.577 15.100 1.00 11.34 C ATOM 686 CZ PHE A 289 4.378 -27.436 15.841 1.00 52.01 C ATOM 0 H PHE A 289 3.452 -26.910 8.909 1.00 2.21 H new ATOM 0 HA PHE A 289 2.172 -27.524 11.510 1.00 13.11 H new ATOM 0 HB2 PHE A 289 4.760 -28.129 11.131 1.00 73.21 H new ATOM 0 HB3 PHE A 289 4.980 -26.392 11.220 1.00 73.21 H new ATOM 0 HD1 PHE A 289 4.341 -25.188 13.314 1.00 24.33 H new ATOM 0 HD2 PHE A 289 4.359 -29.409 13.094 1.00 3.34 H new ATOM 0 HE1 PHE A 289 4.368 -25.318 15.811 1.00 31.34 H new ATOM 0 HE2 PHE A 289 4.386 -29.539 15.590 1.00 11.34 H new ATOM 0 HZ PHE A 289 4.389 -27.492 16.919 1.00 52.01 H new ATOM 696 N SER A 290 1.898 -25.103 11.992 1.00 51.00 N ATOM 697 CA SER A 290 1.511 -23.710 12.135 1.00 41.30 C ATOM 698 C SER A 290 2.132 -23.122 13.404 1.00 53.10 C ATOM 699 O SER A 290 1.924 -23.642 14.499 1.00 12.32 O ATOM 700 CB SER A 290 -0.011 -23.562 12.171 1.00 53.30 C ATOM 701 OG SER A 290 -0.581 -24.183 13.320 1.00 70.43 O ATOM 0 H SER A 290 1.579 -25.714 12.744 1.00 51.00 H new ATOM 0 HA SER A 290 1.882 -23.161 11.269 1.00 41.30 H new ATOM 0 HB2 SER A 290 -0.273 -22.504 12.164 1.00 53.30 H new ATOM 0 HB3 SER A 290 -0.439 -24.003 11.271 1.00 53.30 H new ATOM 0 HG SER A 290 0.052 -24.133 14.067 1.00 70.43 H new ATOM 707 N ILE A 291 2.881 -22.046 13.214 1.00 23.11 N ATOM 708 CA ILE A 291 3.534 -21.382 14.330 1.00 54.02 C ATOM 709 C ILE A 291 2.739 -20.131 14.708 1.00 13.33 C ATOM 710 O ILE A 291 2.458 -19.288 13.857 1.00 32.31 O ATOM 711 CB ILE A 291 5.002 -21.102 14.003 1.00 72.32 C ATOM 712 CG1 ILE A 291 5.868 -22.334 14.275 1.00 4.41 C ATOM 713 CG2 ILE A 291 5.506 -19.869 14.755 1.00 52.00 C ATOM 714 CD1 ILE A 291 7.262 -22.169 13.666 1.00 3.54 C ATOM 0 H ILE A 291 3.050 -21.617 12.304 1.00 23.11 H new ATOM 0 HA ILE A 291 3.545 -22.031 15.206 1.00 54.02 H new ATOM 0 HB ILE A 291 5.079 -20.882 12.938 1.00 72.32 H new ATOM 0 HG12 ILE A 291 5.953 -22.493 15.350 1.00 4.41 H new ATOM 0 HG13 ILE A 291 5.388 -23.220 13.859 1.00 4.41 H new ATOM 0 HG21 ILE A 291 6.552 -19.692 14.505 1.00 52.00 H new ATOM 0 HG22 ILE A 291 4.913 -19.001 14.469 1.00 52.00 H new ATOM 0 HG23 ILE A 291 5.413 -20.034 15.828 1.00 52.00 H new ATOM 0 HD11 ILE A 291 7.857 -23.058 13.874 1.00 3.54 H new ATOM 0 HD12 ILE A 291 7.174 -22.034 12.588 1.00 3.54 H new ATOM 0 HD13 ILE A 291 7.749 -21.297 14.102 1.00 3.54 H new ATOM 726 N LYS A 292 2.399 -20.049 15.986 1.00 14.42 N ATOM 727 CA LYS A 292 1.642 -18.914 16.488 1.00 74.31 C ATOM 728 C LYS A 292 2.504 -17.654 16.404 1.00 44.42 C ATOM 729 O LYS A 292 3.595 -17.604 16.971 1.00 70.54 O ATOM 730 CB LYS A 292 1.111 -19.204 17.893 1.00 11.34 C ATOM 731 CG LYS A 292 -0.299 -19.795 17.836 1.00 12.20 C ATOM 732 CD LYS A 292 -0.269 -21.235 17.322 1.00 73.51 C ATOM 733 CE LYS A 292 -0.122 -22.227 18.478 1.00 73.13 C ATOM 734 NZ LYS A 292 1.275 -22.251 18.966 1.00 53.32 N ATOM 0 H LYS A 292 2.634 -20.750 16.689 1.00 14.42 H new ATOM 0 HA LYS A 292 0.762 -18.739 15.869 1.00 74.31 H new ATOM 0 HB2 LYS A 292 1.780 -19.898 18.402 1.00 11.34 H new ATOM 0 HB3 LYS A 292 1.100 -18.285 18.478 1.00 11.34 H new ATOM 0 HG2 LYS A 292 -0.749 -19.769 18.829 1.00 12.20 H new ATOM 0 HG3 LYS A 292 -0.927 -19.186 17.185 1.00 12.20 H new ATOM 0 HD2 LYS A 292 -1.185 -21.447 16.770 1.00 73.51 H new ATOM 0 HD3 LYS A 292 0.559 -21.359 16.624 1.00 73.51 H new ATOM 0 HE2 LYS A 292 -0.793 -21.949 19.291 1.00 73.13 H new ATOM 0 HE3 LYS A 292 -0.416 -23.224 18.149 1.00 73.13 H new ATOM 0 HZ1 LYS A 292 1.528 -23.220 19.247 1.00 53.32 H new ATOM 0 HZ2 LYS A 292 1.913 -21.932 18.209 1.00 53.32 H new ATOM 0 HZ3 LYS A 292 1.367 -21.618 19.786 1.00 53.32 H new ATOM 747 N MET A 293 1.983 -16.665 15.692 1.00 5.00 N ATOM 748 CA MET A 293 2.692 -15.408 15.526 1.00 5.55 C ATOM 749 C MET A 293 2.434 -14.472 16.709 1.00 31.35 C ATOM 750 O MET A 293 1.362 -14.510 17.312 1.00 3.23 O ATOM 751 CB MET A 293 2.237 -14.731 14.232 1.00 62.22 C ATOM 752 CG MET A 293 2.708 -15.518 13.007 1.00 24.11 C ATOM 753 SD MET A 293 2.112 -14.740 11.515 1.00 20.53 S ATOM 754 CE MET A 293 3.254 -13.374 11.400 1.00 3.32 C ATOM 0 H MET A 293 1.078 -16.709 15.224 1.00 5.00 H new ATOM 0 HA MET A 293 3.760 -15.620 15.480 1.00 5.55 H new ATOM 0 HB2 MET A 293 1.150 -14.651 14.222 1.00 62.22 H new ATOM 0 HB3 MET A 293 2.631 -13.716 14.190 1.00 62.22 H new ATOM 0 HG2 MET A 293 3.797 -15.566 12.992 1.00 24.11 H new ATOM 0 HG3 MET A 293 2.345 -16.544 13.062 1.00 24.11 H new ATOM 0 HE1 MET A 293 3.165 -12.907 10.419 1.00 3.32 H new ATOM 0 HE2 MET A 293 3.023 -12.641 12.173 1.00 3.32 H new ATOM 0 HE3 MET A 293 4.272 -13.738 11.538 1.00 3.32 H new ATOM 764 N GLY A 294 3.434 -13.655 17.006 1.00 33.34 N ATOM 765 CA GLY A 294 3.328 -12.712 18.106 1.00 10.05 C ATOM 766 C GLY A 294 2.061 -11.863 17.981 1.00 31.43 C ATOM 767 O GLY A 294 1.527 -11.696 16.886 1.00 63.02 O ATOM 0 H GLY A 294 4.321 -13.627 16.504 1.00 33.34 H new ATOM 0 HA2 GLY A 294 3.316 -13.252 19.053 1.00 10.05 H new ATOM 0 HA3 GLY A 294 4.204 -12.064 18.120 1.00 10.05 H new ATOM 771 N PRO A 295 1.604 -11.337 19.149 1.00 3.30 N ATOM 772 CA PRO A 295 0.410 -10.510 19.181 1.00 41.44 C ATOM 773 C PRO A 295 0.695 -9.114 18.622 1.00 13.10 C ATOM 774 O PRO A 295 -0.207 -8.449 18.114 1.00 63.13 O ATOM 775 CB PRO A 295 -0.017 -10.490 20.639 1.00 24.13 C ATOM 776 CG PRO A 295 1.205 -10.917 21.437 1.00 42.24 C ATOM 777 CD PRO A 295 2.210 -11.514 20.465 1.00 5.34 C ATOM 0 HA PRO A 295 -0.389 -10.901 18.552 1.00 41.44 H new ATOM 0 HB2 PRO A 295 -0.349 -9.495 20.935 1.00 24.13 H new ATOM 0 HB3 PRO A 295 -0.852 -11.169 20.811 1.00 24.13 H new ATOM 0 HG2 PRO A 295 1.638 -10.063 21.958 1.00 42.24 H new ATOM 0 HG3 PRO A 295 0.929 -11.648 22.197 1.00 42.24 H new ATOM 0 HD2 PRO A 295 3.172 -11.006 20.529 1.00 5.34 H new ATOM 0 HD3 PRO A 295 2.390 -12.567 20.679 1.00 5.34 H new ATOM 785 N HIS A 296 1.952 -8.711 18.735 1.00 32.23 N ATOM 786 CA HIS A 296 2.367 -7.407 18.248 1.00 54.32 C ATOM 787 C HIS A 296 1.938 -7.244 16.788 1.00 31.22 C ATOM 788 O HIS A 296 1.277 -8.119 16.230 1.00 11.24 O ATOM 789 CB HIS A 296 3.869 -7.204 18.451 1.00 44.35 C ATOM 790 CG HIS A 296 4.731 -8.045 17.540 1.00 62.52 C ATOM 791 ND1 HIS A 296 4.978 -7.710 16.220 1.00 74.11 N ATOM 792 CD2 HIS A 296 5.402 -9.210 17.773 1.00 75.32 C ATOM 793 CE1 HIS A 296 5.761 -8.639 15.692 1.00 42.33 C ATOM 794 NE2 HIS A 296 6.022 -9.568 16.656 1.00 44.24 N ATOM 0 H HIS A 296 2.697 -9.265 19.157 1.00 32.23 H new ATOM 0 HA HIS A 296 1.873 -6.625 18.825 1.00 54.32 H new ATOM 0 HB2 HIS A 296 4.108 -6.153 18.292 1.00 44.35 H new ATOM 0 HB3 HIS A 296 4.120 -7.435 19.486 1.00 44.35 H new ATOM 0 HD1 HIS A 296 4.618 -6.887 15.736 1.00 74.11 H new ATOM 0 HD2 HIS A 296 5.425 -9.749 18.708 1.00 75.32 H new ATOM 0 HE1 HIS A 296 6.128 -8.658 14.677 1.00 42.33 H new ATOM 802 N GLU A 297 2.332 -6.118 16.211 1.00 33.41 N ATOM 803 CA GLU A 297 1.997 -5.830 14.827 1.00 15.10 C ATOM 804 C GLU A 297 3.266 -5.542 14.023 1.00 53.25 C ATOM 805 O GLU A 297 4.361 -5.497 14.580 1.00 43.02 O ATOM 806 CB GLU A 297 1.011 -4.663 14.733 1.00 24.13 C ATOM 807 CG GLU A 297 1.601 -3.396 15.357 1.00 73.31 C ATOM 808 CD GLU A 297 1.241 -3.297 16.841 1.00 73.13 C ATOM 809 OE1 GLU A 297 1.825 -4.011 17.669 1.00 10.24 O ATOM 810 OE2 GLU A 297 0.318 -2.440 17.122 1.00 64.12 O ATOM 0 H GLU A 297 2.880 -5.395 16.677 1.00 33.41 H new ATOM 0 HA GLU A 297 1.512 -6.708 14.400 1.00 15.10 H new ATOM 0 HB2 GLU A 297 0.761 -4.476 13.689 1.00 24.13 H new ATOM 0 HB3 GLU A 297 0.083 -4.925 15.241 1.00 24.13 H new ATOM 0 HG2 GLU A 297 2.685 -3.400 15.242 1.00 73.31 H new ATOM 0 HG3 GLU A 297 1.228 -2.518 14.829 1.00 73.31 H new ATOM 818 N ILE A 298 3.076 -5.354 12.725 1.00 75.02 N ATOM 819 CA ILE A 298 4.191 -5.072 11.838 1.00 4.51 C ATOM 820 C ILE A 298 3.816 -3.919 10.904 1.00 20.31 C ATOM 821 O ILE A 298 3.779 -4.089 9.686 1.00 25.34 O ATOM 822 CB ILE A 298 4.627 -6.341 11.104 1.00 22.30 C ATOM 823 CG1 ILE A 298 5.114 -7.405 12.090 1.00 5.22 C ATOM 824 CG2 ILE A 298 5.677 -6.025 10.037 1.00 2.31 C ATOM 825 CD1 ILE A 298 4.031 -8.455 12.343 1.00 23.41 C ATOM 0 H ILE A 298 2.166 -5.392 12.267 1.00 75.02 H new ATOM 0 HA ILE A 298 5.060 -4.749 12.411 1.00 4.51 H new ATOM 0 HB ILE A 298 3.759 -6.752 10.589 1.00 22.30 H new ATOM 0 HG12 ILE A 298 6.009 -7.888 11.697 1.00 5.22 H new ATOM 0 HG13 ILE A 298 5.394 -6.932 13.031 1.00 5.22 H new ATOM 0 HG21 ILE A 298 5.969 -6.945 9.531 1.00 2.31 H new ATOM 0 HG22 ILE A 298 5.259 -5.328 9.311 1.00 2.31 H new ATOM 0 HG23 ILE A 298 6.552 -5.577 10.509 1.00 2.31 H new ATOM 0 HD11 ILE A 298 4.403 -9.199 13.047 1.00 23.41 H new ATOM 0 HD12 ILE A 298 3.146 -7.972 12.759 1.00 23.41 H new ATOM 0 HD13 ILE A 298 3.771 -8.943 11.404 1.00 23.41 H new ATOM 837 N GLY A 299 3.546 -2.772 11.510 1.00 25.41 N ATOM 838 CA GLY A 299 3.175 -1.592 10.748 1.00 62.42 C ATOM 839 C GLY A 299 4.284 -1.201 9.769 1.00 51.40 C ATOM 840 O GLY A 299 4.684 -2.002 8.926 1.00 51.34 O ATOM 0 H GLY A 299 3.577 -2.635 12.520 1.00 25.41 H new ATOM 0 HA2 GLY A 299 2.252 -1.784 10.200 1.00 62.42 H new ATOM 0 HA3 GLY A 299 2.976 -0.763 11.428 1.00 62.42 H new ATOM 844 N ILE A 300 4.749 0.031 9.914 1.00 41.52 N ATOM 845 CA ILE A 300 5.804 0.539 9.053 1.00 51.21 C ATOM 846 C ILE A 300 7.146 0.429 9.779 1.00 1.31 C ATOM 847 O ILE A 300 7.237 0.721 10.971 1.00 70.34 O ATOM 848 CB ILE A 300 5.474 1.957 8.581 1.00 63.21 C ATOM 849 CG1 ILE A 300 3.979 2.104 8.291 1.00 43.35 C ATOM 850 CG2 ILE A 300 6.333 2.347 7.377 1.00 44.34 C ATOM 851 CD1 ILE A 300 3.695 3.397 7.523 1.00 32.01 C ATOM 0 H ILE A 300 4.415 0.693 10.615 1.00 41.52 H new ATOM 0 HA ILE A 300 5.881 -0.064 8.148 1.00 51.21 H new ATOM 0 HB ILE A 300 5.715 2.651 9.387 1.00 63.21 H new ATOM 0 HG12 ILE A 300 3.631 1.249 7.712 1.00 43.35 H new ATOM 0 HG13 ILE A 300 3.421 2.103 9.227 1.00 43.35 H new ATOM 0 HG21 ILE A 300 6.079 3.359 7.061 1.00 44.34 H new ATOM 0 HG22 ILE A 300 7.387 2.307 7.653 1.00 44.34 H new ATOM 0 HG23 ILE A 300 6.146 1.653 6.557 1.00 44.34 H new ATOM 0 HD11 ILE A 300 2.625 3.478 7.329 1.00 32.01 H new ATOM 0 HD12 ILE A 300 4.022 4.251 8.116 1.00 32.01 H new ATOM 0 HD13 ILE A 300 4.235 3.384 6.576 1.00 32.01 H new ATOM 863 N LYS A 301 8.155 0.008 9.030 1.00 12.14 N ATOM 864 CA LYS A 301 9.488 -0.144 9.588 1.00 40.11 C ATOM 865 C LYS A 301 9.482 -1.281 10.611 1.00 34.51 C ATOM 866 O LYS A 301 10.459 -1.478 11.332 1.00 73.42 O ATOM 867 CB LYS A 301 9.988 1.188 10.152 1.00 60.42 C ATOM 868 CG LYS A 301 9.510 2.361 9.294 1.00 75.42 C ATOM 869 CD LYS A 301 10.121 2.301 7.893 1.00 64.42 C ATOM 870 CE LYS A 301 11.211 3.361 7.725 1.00 42.34 C ATOM 871 NZ LYS A 301 10.656 4.715 7.949 1.00 20.21 N ATOM 0 H LYS A 301 8.076 -0.232 8.042 1.00 12.14 H new ATOM 0 HA LYS A 301 10.198 -0.420 8.808 1.00 40.11 H new ATOM 0 HB2 LYS A 301 9.630 1.311 11.174 1.00 60.42 H new ATOM 0 HB3 LYS A 301 11.077 1.183 10.194 1.00 60.42 H new ATOM 0 HG2 LYS A 301 8.423 2.343 9.221 1.00 75.42 H new ATOM 0 HG3 LYS A 301 9.782 3.301 9.773 1.00 75.42 H new ATOM 0 HD2 LYS A 301 10.542 1.311 7.718 1.00 64.42 H new ATOM 0 HD3 LYS A 301 9.342 2.453 7.146 1.00 64.42 H new ATOM 0 HE2 LYS A 301 12.021 3.173 8.429 1.00 42.34 H new ATOM 0 HE3 LYS A 301 11.637 3.297 6.724 1.00 42.34 H new ATOM 0 HZ1 LYS A 301 11.114 5.389 7.303 1.00 20.21 H new ATOM 0 HZ2 LYS A 301 9.632 4.704 7.769 1.00 20.21 H new ATOM 0 HZ3 LYS A 301 10.832 5.004 8.932 1.00 20.21 H new ATOM 884 N GLY A 302 8.369 -2.001 10.642 1.00 43.41 N ATOM 885 CA GLY A 302 8.223 -3.113 11.565 1.00 72.32 C ATOM 886 C GLY A 302 8.397 -4.451 10.843 1.00 60.01 C ATOM 887 O GLY A 302 8.027 -4.584 9.677 1.00 25.23 O ATOM 0 H GLY A 302 7.561 -1.835 10.043 1.00 43.41 H new ATOM 0 HA2 GLY A 302 8.961 -3.027 12.363 1.00 72.32 H new ATOM 0 HA3 GLY A 302 7.240 -3.074 12.034 1.00 72.32 H new ATOM 891 N GLN A 303 8.960 -5.408 11.566 1.00 61.14 N ATOM 892 CA GLN A 303 9.188 -6.731 11.009 1.00 52.34 C ATOM 893 C GLN A 303 8.695 -7.807 11.978 1.00 0.01 C ATOM 894 O GLN A 303 8.151 -7.493 13.035 1.00 14.24 O ATOM 895 CB GLN A 303 10.665 -6.935 10.668 1.00 62.14 C ATOM 896 CG GLN A 303 11.530 -6.894 11.929 1.00 30.11 C ATOM 897 CD GLN A 303 12.982 -6.556 11.587 1.00 5.13 C ATOM 898 OE1 GLN A 303 13.331 -5.424 11.296 1.00 43.33 O ATOM 899 NE2 GLN A 303 13.807 -7.598 11.639 1.00 3.05 N ATOM 0 H GLN A 303 9.265 -5.294 12.533 1.00 61.14 H new ATOM 0 HA GLN A 303 8.620 -6.817 10.083 1.00 52.34 H new ATOM 0 HB2 GLN A 303 10.796 -7.892 10.164 1.00 62.14 H new ATOM 0 HB3 GLN A 303 10.992 -6.161 9.973 1.00 62.14 H new ATOM 0 HG2 GLN A 303 11.134 -6.152 12.622 1.00 30.11 H new ATOM 0 HG3 GLN A 303 11.487 -7.858 12.435 1.00 30.11 H new ATOM 0 HE21 GLN A 303 13.449 -8.520 11.890 1.00 3.05 H new ATOM 0 HE22 GLN A 303 14.797 -7.475 11.428 1.00 3.05 H new ATOM 908 N LYS A 304 8.904 -9.054 11.583 1.00 34.31 N ATOM 909 CA LYS A 304 8.487 -10.179 12.404 1.00 44.21 C ATOM 910 C LYS A 304 9.439 -11.354 12.172 1.00 61.03 C ATOM 911 O LYS A 304 9.998 -11.499 11.086 1.00 64.41 O ATOM 912 CB LYS A 304 7.018 -10.517 12.144 1.00 10.21 C ATOM 913 CG LYS A 304 6.610 -11.793 12.883 1.00 10.12 C ATOM 914 CD LYS A 304 6.505 -11.545 14.389 1.00 1.42 C ATOM 915 CE LYS A 304 5.991 -12.789 15.116 1.00 72.14 C ATOM 916 NZ LYS A 304 5.939 -12.553 16.576 1.00 44.23 N ATOM 0 H LYS A 304 9.356 -9.311 10.706 1.00 34.31 H new ATOM 0 HA LYS A 304 8.548 -9.922 13.462 1.00 44.21 H new ATOM 0 HB2 LYS A 304 6.388 -9.688 12.467 1.00 10.21 H new ATOM 0 HB3 LYS A 304 6.854 -10.644 11.074 1.00 10.21 H new ATOM 0 HG2 LYS A 304 5.653 -12.148 12.502 1.00 10.12 H new ATOM 0 HG3 LYS A 304 7.341 -12.578 12.690 1.00 10.12 H new ATOM 0 HD2 LYS A 304 7.482 -11.266 14.784 1.00 1.42 H new ATOM 0 HD3 LYS A 304 5.834 -10.707 14.577 1.00 1.42 H new ATOM 0 HE2 LYS A 304 4.998 -13.048 14.748 1.00 72.14 H new ATOM 0 HE3 LYS A 304 6.641 -13.637 14.902 1.00 72.14 H new ATOM 0 HZ1 LYS A 304 5.433 -13.337 17.037 1.00 44.23 H new ATOM 0 HZ2 LYS A 304 6.907 -12.496 16.953 1.00 44.23 H new ATOM 0 HZ3 LYS A 304 5.440 -11.660 16.766 1.00 44.23 H new ATOM 929 N GLU A 305 9.594 -12.163 13.210 1.00 52.33 N ATOM 930 CA GLU A 305 10.468 -13.321 13.133 1.00 42.35 C ATOM 931 C GLU A 305 9.644 -14.610 13.147 1.00 43.14 C ATOM 932 O GLU A 305 8.490 -14.609 13.572 1.00 3.43 O ATOM 933 CB GLU A 305 11.492 -13.312 14.270 1.00 53.43 C ATOM 934 CG GLU A 305 12.572 -12.255 14.027 1.00 34.40 C ATOM 935 CD GLU A 305 13.115 -11.712 15.350 1.00 34.44 C ATOM 936 OE1 GLU A 305 12.555 -10.754 15.904 1.00 70.04 O ATOM 937 OE2 GLU A 305 14.156 -12.323 15.804 1.00 22.41 O ATOM 0 H GLU A 305 9.129 -12.039 14.109 1.00 52.33 H new ATOM 0 HA GLU A 305 11.018 -13.275 12.193 1.00 42.35 H new ATOM 0 HB2 GLU A 305 10.989 -13.112 15.216 1.00 53.43 H new ATOM 0 HB3 GLU A 305 11.954 -14.296 14.356 1.00 53.43 H new ATOM 0 HG2 GLU A 305 13.386 -12.689 13.446 1.00 34.40 H new ATOM 0 HG3 GLU A 305 12.159 -11.437 13.436 1.00 34.40 H new ATOM 945 N LEU A 306 10.269 -15.679 12.676 1.00 64.00 N ATOM 946 CA LEU A 306 9.608 -16.972 12.629 1.00 25.21 C ATOM 947 C LEU A 306 10.664 -18.080 12.631 1.00 51.14 C ATOM 948 O LEU A 306 10.866 -18.751 11.620 1.00 44.33 O ATOM 949 CB LEU A 306 8.647 -17.040 11.440 1.00 25.05 C ATOM 950 CG LEU A 306 7.235 -16.507 11.689 1.00 41.44 C ATOM 951 CD1 LEU A 306 6.371 -16.637 10.433 1.00 44.24 C ATOM 952 CD2 LEU A 306 6.595 -17.191 12.898 1.00 70.21 C ATOM 0 H LEU A 306 11.226 -15.676 12.324 1.00 64.00 H new ATOM 0 HA LEU A 306 8.991 -17.117 13.516 1.00 25.21 H new ATOM 0 HB2 LEU A 306 9.084 -16.482 10.612 1.00 25.05 H new ATOM 0 HB3 LEU A 306 8.571 -18.079 11.119 1.00 25.05 H new ATOM 0 HG LEU A 306 7.307 -15.445 11.922 1.00 41.44 H new ATOM 0 HD11 LEU A 306 5.372 -16.251 10.637 1.00 44.24 H new ATOM 0 HD12 LEU A 306 6.822 -16.067 9.621 1.00 44.24 H new ATOM 0 HD13 LEU A 306 6.303 -17.686 10.145 1.00 44.24 H new ATOM 0 HD21 LEU A 306 5.592 -16.793 13.052 1.00 70.21 H new ATOM 0 HD22 LEU A 306 6.536 -18.265 12.720 1.00 70.21 H new ATOM 0 HD23 LEU A 306 7.200 -17.003 13.785 1.00 70.21 H new ATOM 964 N TRP A 307 11.309 -18.237 13.777 1.00 33.43 N ATOM 965 CA TRP A 307 12.338 -19.252 13.924 1.00 62.23 C ATOM 966 C TRP A 307 11.648 -20.613 14.034 1.00 62.30 C ATOM 967 O TRP A 307 10.734 -20.787 14.838 1.00 11.54 O ATOM 968 CB TRP A 307 13.246 -18.944 15.116 1.00 62.01 C ATOM 969 CG TRP A 307 13.355 -17.454 15.447 1.00 71.15 C ATOM 970 CD1 TRP A 307 14.291 -16.585 15.042 1.00 65.43 C ATOM 971 CD2 TRP A 307 12.452 -16.689 16.272 1.00 3.54 C ATOM 972 NE1 TRP A 307 14.060 -15.321 15.544 1.00 34.11 N ATOM 973 CE2 TRP A 307 12.906 -15.386 16.316 1.00 15.11 C ATOM 974 CE3 TRP A 307 11.291 -17.084 16.959 1.00 0.35 C ATOM 975 CZ2 TRP A 307 12.259 -14.373 17.034 1.00 13.11 C ATOM 976 CZ3 TRP A 307 10.656 -16.060 17.672 1.00 2.54 C ATOM 977 CH2 TRP A 307 11.100 -14.743 17.727 1.00 72.44 C ATOM 0 H TRP A 307 11.139 -17.678 14.613 1.00 33.43 H new ATOM 0 HA TRP A 307 12.994 -19.264 13.054 1.00 62.23 H new ATOM 0 HB2 TRP A 307 12.871 -19.474 15.992 1.00 62.01 H new ATOM 0 HB3 TRP A 307 14.243 -19.334 14.910 1.00 62.01 H new ATOM 0 HD1 TRP A 307 15.122 -16.842 14.402 1.00 65.43 H new ATOM 0 HE1 TRP A 307 14.631 -14.492 15.379 1.00 34.11 H new ATOM 0 HE3 TRP A 307 10.918 -18.097 16.938 1.00 0.35 H new ATOM 0 HZ2 TRP A 307 12.634 -13.360 17.052 1.00 13.11 H new ATOM 0 HZ3 TRP A 307 9.758 -16.310 18.218 1.00 2.54 H new ATOM 0 HH2 TRP A 307 10.554 -14.010 18.301 1.00 72.44 H new ATOM 988 N PHE A 308 12.112 -21.544 13.214 1.00 65.52 N ATOM 989 CA PHE A 308 11.551 -22.885 13.209 1.00 45.10 C ATOM 990 C PHE A 308 12.605 -23.922 13.605 1.00 13.42 C ATOM 991 O PHE A 308 13.708 -23.565 14.016 1.00 32.15 O ATOM 992 CB PHE A 308 11.085 -23.169 11.780 1.00 63.42 C ATOM 993 CG PHE A 308 10.114 -22.126 11.223 1.00 63.42 C ATOM 994 CD1 PHE A 308 9.389 -21.351 12.072 1.00 14.21 C ATOM 995 CD2 PHE A 308 9.977 -21.975 9.878 1.00 11.02 C ATOM 996 CE1 PHE A 308 8.488 -20.383 11.555 1.00 15.31 C ATOM 997 CE2 PHE A 308 9.076 -21.007 9.361 1.00 12.02 C ATOM 998 CZ PHE A 308 8.350 -20.231 10.210 1.00 21.35 C ATOM 0 H PHE A 308 12.870 -21.397 12.548 1.00 65.52 H new ATOM 0 HA PHE A 308 10.731 -22.948 13.925 1.00 45.10 H new ATOM 0 HB2 PHE A 308 11.957 -23.223 11.128 1.00 63.42 H new ATOM 0 HB3 PHE A 308 10.606 -24.148 11.753 1.00 63.42 H new ATOM 0 HD1 PHE A 308 9.498 -21.471 13.140 1.00 14.21 H new ATOM 0 HD2 PHE A 308 10.553 -22.591 9.204 1.00 11.02 H new ATOM 0 HE1 PHE A 308 7.912 -19.767 12.230 1.00 15.31 H new ATOM 0 HE2 PHE A 308 8.967 -20.887 8.293 1.00 12.02 H new ATOM 0 HZ PHE A 308 7.665 -19.495 9.817 1.00 21.35 H new ATOM 1008 N PHE A 309 12.227 -25.184 13.467 1.00 23.13 N ATOM 1009 CA PHE A 309 13.126 -26.275 13.806 1.00 55.13 C ATOM 1010 C PHE A 309 12.564 -27.616 13.328 1.00 44.33 C ATOM 1011 O PHE A 309 11.364 -27.742 13.092 1.00 52.42 O ATOM 1012 CB PHE A 309 13.244 -26.300 15.331 1.00 41.11 C ATOM 1013 CG PHE A 309 11.960 -25.900 16.061 1.00 24.34 C ATOM 1014 CD1 PHE A 309 11.700 -24.589 16.312 1.00 64.05 C ATOM 1015 CD2 PHE A 309 11.079 -26.856 16.461 1.00 64.44 C ATOM 1016 CE1 PHE A 309 10.509 -24.218 16.989 1.00 21.14 C ATOM 1017 CE2 PHE A 309 9.888 -26.486 17.138 1.00 2.45 C ATOM 1018 CZ PHE A 309 9.628 -25.174 17.389 1.00 60.34 C ATOM 0 H PHE A 309 11.311 -25.476 13.125 1.00 23.13 H new ATOM 0 HA PHE A 309 14.093 -26.124 13.326 1.00 55.13 H new ATOM 0 HB2 PHE A 309 13.532 -27.303 15.647 1.00 41.11 H new ATOM 0 HB3 PHE A 309 14.047 -25.628 15.634 1.00 41.11 H new ATOM 0 HD1 PHE A 309 12.400 -23.830 15.996 1.00 64.05 H new ATOM 0 HD2 PHE A 309 11.286 -27.897 16.263 1.00 64.44 H new ATOM 0 HE1 PHE A 309 10.302 -23.177 17.187 1.00 21.14 H new ATOM 0 HE2 PHE A 309 9.188 -27.245 17.454 1.00 2.45 H new ATOM 0 HZ PHE A 309 8.722 -24.892 17.906 1.00 60.34 H new ATOM 1028 N PRO A 310 13.484 -28.609 13.196 1.00 73.24 N ATOM 1029 CA PRO A 310 14.886 -28.376 13.496 1.00 60.11 C ATOM 1030 C PRO A 310 15.556 -27.562 12.387 1.00 1.55 C ATOM 1031 O PRO A 310 16.418 -26.728 12.660 1.00 44.33 O ATOM 1032 CB PRO A 310 15.488 -29.762 13.662 1.00 44.41 C ATOM 1033 CG PRO A 310 14.517 -30.721 12.995 1.00 73.35 C ATOM 1034 CD PRO A 310 13.213 -29.976 12.759 1.00 44.24 C ATOM 0 HA PRO A 310 15.030 -27.783 14.399 1.00 60.11 H new ATOM 0 HB2 PRO A 310 16.473 -29.818 13.198 1.00 44.41 H new ATOM 0 HB3 PRO A 310 15.618 -30.008 14.716 1.00 44.41 H new ATOM 0 HG2 PRO A 310 14.926 -31.083 12.052 1.00 73.35 H new ATOM 0 HG3 PRO A 310 14.349 -31.594 13.626 1.00 73.35 H new ATOM 0 HD2 PRO A 310 12.924 -30.006 11.708 1.00 44.24 H new ATOM 0 HD3 PRO A 310 12.395 -30.419 13.327 1.00 44.24 H new ATOM 1042 N SER A 311 15.134 -27.832 11.161 1.00 10.40 N ATOM 1043 CA SER A 311 15.682 -27.134 10.010 1.00 23.03 C ATOM 1044 C SER A 311 15.204 -27.799 8.718 1.00 32.42 C ATOM 1045 O SER A 311 15.283 -29.019 8.577 1.00 10.35 O ATOM 1046 CB SER A 311 17.211 -27.108 10.059 1.00 2.12 C ATOM 1047 OG SER A 311 17.754 -28.367 10.449 1.00 44.54 O ATOM 0 H SER A 311 14.419 -28.525 10.939 1.00 10.40 H new ATOM 0 HA SER A 311 15.327 -26.104 10.034 1.00 23.03 H new ATOM 0 HB2 SER A 311 17.601 -26.833 9.079 1.00 2.12 H new ATOM 0 HB3 SER A 311 17.538 -26.339 10.759 1.00 2.12 H new ATOM 0 HG SER A 311 18.732 -28.310 10.467 1.00 44.54 H new ATOM 1053 N LEU A 312 14.718 -26.969 7.808 1.00 52.24 N ATOM 1054 CA LEU A 312 14.227 -27.461 6.532 1.00 75.32 C ATOM 1055 C LEU A 312 15.117 -26.929 5.407 1.00 24.34 C ATOM 1056 O LEU A 312 15.812 -25.929 5.581 1.00 21.34 O ATOM 1057 CB LEU A 312 12.746 -27.117 6.359 1.00 50.44 C ATOM 1058 CG LEU A 312 11.782 -27.786 7.340 1.00 21.14 C ATOM 1059 CD1 LEU A 312 11.597 -26.931 8.596 1.00 73.44 C ATOM 1060 CD2 LEU A 312 10.448 -28.109 6.665 1.00 60.33 C ATOM 0 H LEU A 312 14.653 -25.958 7.929 1.00 52.24 H new ATOM 0 HA LEU A 312 14.285 -28.549 6.496 1.00 75.32 H new ATOM 0 HB2 LEU A 312 12.632 -26.037 6.448 1.00 50.44 H new ATOM 0 HB3 LEU A 312 12.447 -27.387 5.346 1.00 50.44 H new ATOM 0 HG LEU A 312 12.220 -28.733 7.656 1.00 21.14 H new ATOM 0 HD11 LEU A 312 10.907 -27.429 9.277 1.00 73.44 H new ATOM 0 HD12 LEU A 312 12.560 -26.796 9.089 1.00 73.44 H new ATOM 0 HD13 LEU A 312 11.192 -25.958 8.317 1.00 73.44 H new ATOM 0 HD21 LEU A 312 9.782 -28.584 7.385 1.00 60.33 H new ATOM 0 HD22 LEU A 312 9.992 -27.188 6.301 1.00 60.33 H new ATOM 0 HD23 LEU A 312 10.618 -28.785 5.827 1.00 60.33 H new ATOM 1072 N PRO A 313 15.067 -27.640 4.249 1.00 11.00 N ATOM 1073 CA PRO A 313 15.861 -27.250 3.096 1.00 12.24 C ATOM 1074 C PRO A 313 15.262 -26.021 2.409 1.00 44.10 C ATOM 1075 O PRO A 313 14.044 -25.857 2.374 1.00 51.42 O ATOM 1076 CB PRO A 313 15.885 -28.478 2.201 1.00 21.14 C ATOM 1077 CG PRO A 313 14.727 -29.350 2.659 1.00 61.11 C ATOM 1078 CD PRO A 313 14.256 -28.829 4.007 1.00 73.52 C ATOM 0 HA PRO A 313 16.874 -26.950 3.365 1.00 12.24 H new ATOM 0 HB2 PRO A 313 15.774 -28.200 1.153 1.00 21.14 H new ATOM 0 HB3 PRO A 313 16.833 -29.009 2.291 1.00 21.14 H new ATOM 0 HG2 PRO A 313 13.915 -29.319 1.933 1.00 61.11 H new ATOM 0 HG3 PRO A 313 15.042 -30.390 2.741 1.00 61.11 H new ATOM 0 HD2 PRO A 313 13.193 -28.586 3.988 1.00 73.52 H new ATOM 0 HD3 PRO A 313 14.400 -29.573 4.791 1.00 73.52 H new ATOM 1086 N THR A 314 16.147 -25.189 1.879 1.00 23.23 N ATOM 1087 CA THR A 314 15.722 -23.980 1.195 1.00 72.23 C ATOM 1088 C THR A 314 16.343 -23.911 -0.202 1.00 31.42 C ATOM 1089 O THR A 314 17.292 -24.635 -0.499 1.00 42.22 O ATOM 1090 CB THR A 314 16.081 -22.785 2.079 1.00 2.41 C ATOM 1091 OG1 THR A 314 17.108 -23.281 2.934 1.00 75.21 O ATOM 1092 CG2 THR A 314 14.950 -22.404 3.037 1.00 44.10 C ATOM 0 H THR A 314 17.157 -25.329 1.910 1.00 23.23 H new ATOM 0 HA THR A 314 14.643 -23.973 1.038 1.00 72.23 H new ATOM 0 HB THR A 314 16.327 -21.930 1.450 1.00 2.41 H new ATOM 0 HG1 THR A 314 17.914 -22.733 2.830 1.00 75.21 H new ATOM 0 HG21 THR A 314 15.257 -21.550 3.641 1.00 44.10 H new ATOM 0 HG22 THR A 314 14.061 -22.142 2.464 1.00 44.10 H new ATOM 0 HG23 THR A 314 14.726 -23.248 3.689 1.00 44.10 H new ATOM 1100 N PRO A 315 15.767 -23.012 -1.043 1.00 52.43 N ATOM 1101 CA PRO A 315 14.646 -22.194 -0.611 1.00 60.14 C ATOM 1102 C PRO A 315 13.357 -23.017 -0.553 1.00 44.22 C ATOM 1103 O PRO A 315 13.351 -24.193 -0.913 1.00 31.24 O ATOM 1104 CB PRO A 315 14.579 -21.056 -1.616 1.00 42.33 C ATOM 1105 CG PRO A 315 15.362 -21.526 -2.831 1.00 43.33 C ATOM 1106 CD PRO A 315 16.166 -22.750 -2.423 1.00 53.31 C ATOM 0 HA PRO A 315 14.772 -21.808 0.400 1.00 60.14 H new ATOM 0 HB2 PRO A 315 13.546 -20.829 -1.881 1.00 42.33 H new ATOM 0 HB3 PRO A 315 15.010 -20.144 -1.203 1.00 42.33 H new ATOM 0 HG2 PRO A 315 14.685 -21.769 -3.650 1.00 43.33 H new ATOM 0 HG3 PRO A 315 16.023 -20.736 -3.188 1.00 43.33 H new ATOM 0 HD2 PRO A 315 15.946 -23.601 -3.067 1.00 53.31 H new ATOM 0 HD3 PRO A 315 17.237 -22.563 -2.497 1.00 53.31 H new ATOM 1114 N LEU A 316 12.297 -22.365 -0.098 1.00 62.40 N ATOM 1115 CA LEU A 316 11.006 -23.022 0.012 1.00 54.14 C ATOM 1116 C LEU A 316 10.211 -22.793 -1.275 1.00 51.45 C ATOM 1117 O LEU A 316 9.185 -22.114 -1.263 1.00 72.32 O ATOM 1118 CB LEU A 316 10.276 -22.561 1.275 1.00 21.42 C ATOM 1119 CG LEU A 316 10.965 -22.884 2.603 1.00 41.23 C ATOM 1120 CD1 LEU A 316 9.941 -23.044 3.728 1.00 54.25 C ATOM 1121 CD2 LEU A 316 11.866 -24.113 2.469 1.00 73.45 C ATOM 0 H LEU A 316 12.306 -21.389 0.199 1.00 62.40 H new ATOM 0 HA LEU A 316 11.135 -24.099 0.121 1.00 54.14 H new ATOM 0 HB2 LEU A 316 10.134 -21.482 1.215 1.00 21.42 H new ATOM 0 HB3 LEU A 316 9.284 -23.013 1.283 1.00 21.42 H new ATOM 0 HG LEU A 316 11.605 -22.043 2.868 1.00 41.23 H new ATOM 0 HD11 LEU A 316 10.457 -23.273 4.660 1.00 54.25 H new ATOM 0 HD12 LEU A 316 9.379 -22.117 3.843 1.00 54.25 H new ATOM 0 HD13 LEU A 316 9.256 -23.856 3.484 1.00 54.25 H new ATOM 0 HD21 LEU A 316 12.343 -24.320 3.427 1.00 73.45 H new ATOM 0 HD22 LEU A 316 11.267 -24.972 2.169 1.00 73.45 H new ATOM 0 HD23 LEU A 316 12.631 -23.923 1.716 1.00 73.45 H new ATOM 1133 N SER A 317 10.715 -23.371 -2.355 1.00 61.15 N ATOM 1134 CA SER A 317 10.065 -23.238 -3.648 1.00 61.32 C ATOM 1135 C SER A 317 8.908 -24.233 -3.757 1.00 32.23 C ATOM 1136 O SER A 317 9.086 -25.426 -3.517 1.00 33.43 O ATOM 1137 CB SER A 317 11.060 -23.455 -4.790 1.00 22.11 C ATOM 1138 OG SER A 317 11.108 -24.818 -5.204 1.00 45.45 O ATOM 0 H SER A 317 11.566 -23.933 -2.362 1.00 61.15 H new ATOM 0 HA SER A 317 9.673 -22.224 -3.731 1.00 61.32 H new ATOM 0 HB2 SER A 317 10.782 -22.828 -5.637 1.00 22.11 H new ATOM 0 HB3 SER A 317 12.053 -23.138 -4.471 1.00 22.11 H new ATOM 0 HG SER A 317 11.753 -24.915 -5.935 1.00 45.45 H new ATOM 1144 N ASN A 318 7.748 -23.705 -4.118 1.00 73.35 N ATOM 1145 CA ASN A 318 6.561 -24.532 -4.262 1.00 24.13 C ATOM 1146 C ASN A 318 6.046 -24.922 -2.875 1.00 2.12 C ATOM 1147 O ASN A 318 5.319 -25.903 -2.732 1.00 71.51 O ATOM 1148 CB ASN A 318 6.876 -25.819 -5.028 1.00 11.51 C ATOM 1149 CG ASN A 318 5.931 -25.992 -6.219 1.00 22.32 C ATOM 1150 OD1 ASN A 318 6.320 -25.900 -7.371 1.00 40.55 O ATOM 1151 ND2 ASN A 318 4.672 -26.249 -5.877 1.00 53.22 N ATOM 0 H ASN A 318 7.604 -22.715 -4.315 1.00 73.35 H new ATOM 0 HA ASN A 318 5.815 -23.958 -4.812 1.00 24.13 H new ATOM 0 HB2 ASN A 318 7.908 -25.795 -5.378 1.00 11.51 H new ATOM 0 HB3 ASN A 318 6.786 -26.676 -4.360 1.00 11.51 H new ATOM 0 HD21 ASN A 318 3.964 -26.382 -6.599 1.00 53.22 H new ATOM 0 HD22 ASN A 318 4.414 -26.313 -4.892 1.00 53.22 H new ATOM 1158 N TYR A 319 6.444 -24.132 -1.888 1.00 34.53 N ATOM 1159 CA TYR A 319 6.031 -24.383 -0.517 1.00 41.31 C ATOM 1160 C TYR A 319 4.934 -23.407 -0.088 1.00 14.31 C ATOM 1161 O TYR A 319 5.037 -22.205 -0.331 1.00 33.34 O ATOM 1162 CB TYR A 319 7.272 -24.148 0.346 1.00 1.33 C ATOM 1163 CG TYR A 319 8.229 -25.340 0.397 1.00 4.04 C ATOM 1164 CD1 TYR A 319 8.390 -26.144 -0.713 1.00 31.24 C ATOM 1165 CD2 TYR A 319 8.933 -25.611 1.554 1.00 74.43 C ATOM 1166 CE1 TYR A 319 9.291 -27.266 -0.664 1.00 71.44 C ATOM 1167 CE2 TYR A 319 9.834 -26.734 1.602 1.00 54.42 C ATOM 1168 CZ TYR A 319 9.968 -27.506 0.490 1.00 3.24 C ATOM 1169 OH TYR A 319 10.819 -28.566 0.536 1.00 43.42 O ATOM 0 H TYR A 319 7.047 -23.319 -2.010 1.00 34.53 H new ATOM 0 HA TYR A 319 5.635 -25.393 -0.414 1.00 41.31 H new ATOM 0 HB2 TYR A 319 7.809 -23.280 -0.037 1.00 1.33 H new ATOM 0 HB3 TYR A 319 6.956 -23.905 1.361 1.00 1.33 H new ATOM 0 HD1 TYR A 319 7.840 -25.932 -1.618 1.00 31.24 H new ATOM 0 HD2 TYR A 319 8.808 -24.981 2.422 1.00 74.43 H new ATOM 0 HE1 TYR A 319 9.426 -27.903 -1.526 1.00 71.44 H new ATOM 0 HE2 TYR A 319 10.390 -26.958 2.500 1.00 54.42 H new ATOM 0 HH TYR A 319 11.550 -28.372 1.159 1.00 43.42 H new ATOM 1179 N THR A 320 3.908 -23.960 0.542 1.00 12.34 N ATOM 1180 CA THR A 320 2.792 -23.153 1.008 1.00 63.14 C ATOM 1181 C THR A 320 3.302 -21.898 1.719 1.00 52.13 C ATOM 1182 O THR A 320 3.115 -20.784 1.231 1.00 73.44 O ATOM 1183 CB THR A 320 1.907 -24.035 1.891 1.00 42.22 C ATOM 1184 OG1 THR A 320 1.423 -25.040 1.004 1.00 40.50 O ATOM 1185 CG2 THR A 320 0.643 -23.312 2.360 1.00 2.35 C ATOM 0 H THR A 320 3.826 -24.957 0.741 1.00 12.34 H new ATOM 0 HA THR A 320 2.188 -22.793 0.175 1.00 63.14 H new ATOM 0 HB THR A 320 2.477 -24.369 2.758 1.00 42.22 H new ATOM 0 HG1 THR A 320 0.841 -25.657 1.495 1.00 40.50 H new ATOM 0 HG21 THR A 320 0.050 -23.982 2.983 1.00 2.35 H new ATOM 0 HG22 THR A 320 0.921 -22.431 2.938 1.00 2.35 H new ATOM 0 HG23 THR A 320 0.055 -23.007 1.494 1.00 2.35 H new ATOM 1193 N MET A 321 3.936 -22.120 2.861 1.00 52.24 N ATOM 1194 CA MET A 321 4.474 -21.020 3.644 1.00 73.41 C ATOM 1195 C MET A 321 3.594 -19.775 3.518 1.00 73.23 C ATOM 1196 O MET A 321 4.068 -18.713 3.117 1.00 61.53 O ATOM 1197 CB MET A 321 5.890 -20.696 3.163 1.00 34.05 C ATOM 1198 CG MET A 321 6.766 -20.217 4.323 1.00 72.41 C ATOM 1199 SD MET A 321 7.950 -19.017 3.738 1.00 41.20 S ATOM 1200 CE MET A 321 9.203 -20.109 3.087 1.00 11.01 C ATOM 0 H MET A 321 4.089 -23.045 3.263 1.00 52.24 H new ATOM 0 HA MET A 321 4.496 -21.321 4.691 1.00 73.41 H new ATOM 0 HB2 MET A 321 6.335 -21.581 2.708 1.00 34.05 H new ATOM 0 HB3 MET A 321 5.849 -19.927 2.392 1.00 34.05 H new ATOM 0 HG2 MET A 321 6.144 -19.776 5.102 1.00 72.41 H new ATOM 0 HG3 MET A 321 7.285 -21.064 4.771 1.00 72.41 H new ATOM 0 HE1 MET A 321 9.841 -19.559 2.395 1.00 11.01 H new ATOM 0 HE2 MET A 321 9.807 -20.499 3.906 1.00 11.01 H new ATOM 0 HE3 MET A 321 8.727 -20.937 2.561 1.00 11.01 H new ATOM 1210 N LYS A 322 2.327 -19.947 3.867 1.00 4.44 N ATOM 1211 CA LYS A 322 1.377 -18.850 3.798 1.00 12.13 C ATOM 1212 C LYS A 322 1.276 -18.181 5.171 1.00 74.13 C ATOM 1213 O LYS A 322 2.108 -18.419 6.044 1.00 45.00 O ATOM 1214 CB LYS A 322 0.034 -19.338 3.252 1.00 72.52 C ATOM 1215 CG LYS A 322 0.212 -20.031 1.899 1.00 54.20 C ATOM 1216 CD LYS A 322 -1.143 -20.375 1.277 1.00 52.32 C ATOM 1217 CE LYS A 322 -0.966 -21.026 -0.096 1.00 55.14 C ATOM 1218 NZ LYS A 322 0.276 -20.545 -0.742 1.00 35.10 N ATOM 0 H LYS A 322 1.937 -20.829 4.198 1.00 4.44 H new ATOM 0 HA LYS A 322 1.723 -18.090 3.097 1.00 12.13 H new ATOM 0 HB2 LYS A 322 -0.422 -20.029 3.961 1.00 72.52 H new ATOM 0 HB3 LYS A 322 -0.648 -18.494 3.146 1.00 72.52 H new ATOM 0 HG2 LYS A 322 0.771 -19.382 1.225 1.00 54.20 H new ATOM 0 HG3 LYS A 322 0.799 -20.940 2.027 1.00 54.20 H new ATOM 0 HD2 LYS A 322 -1.689 -21.050 1.936 1.00 52.32 H new ATOM 0 HD3 LYS A 322 -1.743 -19.470 1.180 1.00 52.32 H new ATOM 0 HE2 LYS A 322 -0.931 -22.110 0.011 1.00 55.14 H new ATOM 0 HE3 LYS A 322 -1.824 -20.796 -0.728 1.00 55.14 H new ATOM 0 HZ1 LYS A 322 0.338 -20.931 -1.706 1.00 35.10 H new ATOM 0 HZ2 LYS A 322 0.265 -19.506 -0.785 1.00 35.10 H new ATOM 0 HZ3 LYS A 322 1.099 -20.860 -0.190 1.00 35.10 H new ATOM 1231 N VAL A 323 0.248 -17.358 5.318 1.00 41.31 N ATOM 1232 CA VAL A 323 0.027 -16.653 6.569 1.00 3.22 C ATOM 1233 C VAL A 323 -1.477 -16.524 6.818 1.00 22.25 C ATOM 1234 O VAL A 323 -2.212 -16.036 5.962 1.00 51.12 O ATOM 1235 CB VAL A 323 0.747 -15.303 6.543 1.00 14.33 C ATOM 1236 CG1 VAL A 323 0.768 -14.666 7.934 1.00 20.24 C ATOM 1237 CG2 VAL A 323 2.163 -15.447 5.984 1.00 5.03 C ATOM 0 H VAL A 323 -0.441 -17.164 4.591 1.00 41.31 H new ATOM 0 HA VAL A 323 0.447 -17.214 7.403 1.00 3.22 H new ATOM 0 HB VAL A 323 0.192 -14.640 5.880 1.00 14.33 H new ATOM 0 HG11 VAL A 323 1.285 -13.708 7.888 1.00 20.24 H new ATOM 0 HG12 VAL A 323 -0.254 -14.510 8.278 1.00 20.24 H new ATOM 0 HG13 VAL A 323 1.288 -15.326 8.629 1.00 20.24 H new ATOM 0 HG21 VAL A 323 2.652 -14.473 5.977 1.00 5.03 H new ATOM 0 HG22 VAL A 323 2.733 -16.134 6.609 1.00 5.03 H new ATOM 0 HG23 VAL A 323 2.115 -15.836 4.967 1.00 5.03 H new ATOM 1247 N VAL A 324 -1.889 -16.971 7.996 1.00 75.05 N ATOM 1248 CA VAL A 324 -3.293 -16.912 8.368 1.00 23.04 C ATOM 1249 C VAL A 324 -3.481 -15.860 9.463 1.00 53.32 C ATOM 1250 O VAL A 324 -2.552 -15.121 9.786 1.00 70.33 O ATOM 1251 CB VAL A 324 -3.783 -18.301 8.784 1.00 44.25 C ATOM 1252 CG1 VAL A 324 -3.905 -19.224 7.570 1.00 74.31 C ATOM 1253 CG2 VAL A 324 -2.866 -18.910 9.846 1.00 32.42 C ATOM 0 H VAL A 324 -1.276 -17.375 8.704 1.00 75.05 H new ATOM 0 HA VAL A 324 -3.902 -16.609 7.516 1.00 23.04 H new ATOM 0 HB VAL A 324 -4.775 -18.190 9.222 1.00 44.25 H new ATOM 0 HG11 VAL A 324 -4.255 -20.205 7.892 1.00 74.31 H new ATOM 0 HG12 VAL A 324 -4.616 -18.800 6.861 1.00 74.31 H new ATOM 0 HG13 VAL A 324 -2.931 -19.326 7.091 1.00 74.31 H new ATOM 0 HG21 VAL A 324 -3.236 -19.897 10.124 1.00 32.42 H new ATOM 0 HG22 VAL A 324 -1.856 -19.001 9.446 1.00 32.42 H new ATOM 0 HG23 VAL A 324 -2.851 -18.267 10.726 1.00 32.42 H new ATOM 1263 N ASN A 325 -4.690 -15.825 10.003 1.00 13.44 N ATOM 1264 CA ASN A 325 -5.013 -14.875 11.055 1.00 43.11 C ATOM 1265 C ASN A 325 -5.443 -15.637 12.310 1.00 2.20 C ATOM 1266 O ASN A 325 -5.315 -16.859 12.373 1.00 1.52 O ATOM 1267 CB ASN A 325 -6.167 -13.962 10.637 1.00 11.23 C ATOM 1268 CG ASN A 325 -7.399 -14.780 10.246 1.00 53.01 C ATOM 1269 OD1 ASN A 325 -7.418 -15.997 10.322 1.00 61.51 O ATOM 1270 ND2 ASN A 325 -8.425 -14.045 9.824 1.00 64.51 N ATOM 0 H ASN A 325 -5.458 -16.439 9.732 1.00 13.44 H new ATOM 0 HA ASN A 325 -4.127 -14.270 11.247 1.00 43.11 H new ATOM 0 HB2 ASN A 325 -6.418 -13.289 11.457 1.00 11.23 H new ATOM 0 HB3 ASN A 325 -5.857 -13.340 9.797 1.00 11.23 H new ATOM 0 HD21 ASN A 325 -9.294 -14.498 9.540 1.00 64.51 H new ATOM 0 HD22 ASN A 325 -8.343 -13.029 9.785 1.00 64.51 H new ATOM 1277 N GLN A 326 -5.944 -14.884 13.278 1.00 1.30 N ATOM 1278 CA GLN A 326 -6.394 -15.473 14.528 1.00 44.31 C ATOM 1279 C GLN A 326 -7.601 -16.380 14.283 1.00 51.10 C ATOM 1280 O GLN A 326 -8.041 -17.091 15.185 1.00 23.11 O ATOM 1281 CB GLN A 326 -6.721 -14.390 15.558 1.00 54.23 C ATOM 1282 CG GLN A 326 -8.017 -13.661 15.194 1.00 64.11 C ATOM 1283 CD GLN A 326 -8.476 -12.755 16.338 1.00 30.22 C ATOM 1284 OE1 GLN A 326 -8.984 -13.203 17.353 1.00 55.11 O ATOM 1285 NE2 GLN A 326 -8.269 -11.460 16.119 1.00 12.20 N ATOM 0 H GLN A 326 -6.048 -13.871 13.222 1.00 1.30 H new ATOM 0 HA GLN A 326 -5.585 -16.080 14.933 1.00 44.31 H new ATOM 0 HB2 GLN A 326 -6.818 -14.840 16.546 1.00 54.23 H new ATOM 0 HB3 GLN A 326 -5.900 -13.675 15.612 1.00 54.23 H new ATOM 0 HG2 GLN A 326 -7.863 -13.066 14.294 1.00 64.11 H new ATOM 0 HG3 GLN A 326 -8.796 -14.389 14.966 1.00 64.11 H new ATOM 0 HE21 GLN A 326 -7.839 -11.153 15.247 1.00 12.20 H new ATOM 0 HE22 GLN A 326 -8.540 -10.774 16.823 1.00 12.20 H new ATOM 1294 N ASP A 327 -8.103 -16.326 13.058 1.00 11.51 N ATOM 1295 CA ASP A 327 -9.251 -17.133 12.683 1.00 31.52 C ATOM 1296 C ASP A 327 -8.766 -18.426 12.024 1.00 31.32 C ATOM 1297 O ASP A 327 -9.558 -19.333 11.771 1.00 23.23 O ATOM 1298 CB ASP A 327 -10.140 -16.396 11.680 1.00 43.23 C ATOM 1299 CG ASP A 327 -11.576 -16.915 11.584 1.00 1.41 C ATOM 1300 OD1 ASP A 327 -12.169 -17.341 12.586 1.00 11.52 O ATOM 1301 OD2 ASP A 327 -12.094 -16.869 10.404 1.00 75.12 O ATOM 0 H ASP A 327 -7.735 -15.735 12.312 1.00 11.51 H new ATOM 0 HA ASP A 327 -9.825 -17.343 13.586 1.00 31.52 H new ATOM 0 HB2 ASP A 327 -10.169 -15.340 11.950 1.00 43.23 H new ATOM 0 HB3 ASP A 327 -9.680 -16.460 10.694 1.00 43.23 H new ATOM 1307 N GLY A 328 -7.468 -18.470 11.765 1.00 44.41 N ATOM 1308 CA GLY A 328 -6.868 -19.636 11.140 1.00 24.31 C ATOM 1309 C GLY A 328 -7.042 -19.595 9.621 1.00 60.24 C ATOM 1310 O GLY A 328 -6.528 -20.457 8.910 1.00 63.23 O ATOM 0 H GLY A 328 -6.814 -17.716 11.977 1.00 44.41 H new ATOM 0 HA2 GLY A 328 -5.807 -19.680 11.387 1.00 24.31 H new ATOM 0 HA3 GLY A 328 -7.326 -20.542 11.538 1.00 24.31 H new ATOM 1314 N GLU A 329 -7.769 -18.585 9.168 1.00 51.54 N ATOM 1315 CA GLU A 329 -8.018 -18.420 7.745 1.00 3.25 C ATOM 1316 C GLU A 329 -6.816 -17.756 7.070 1.00 11.30 C ATOM 1317 O GLU A 329 -6.209 -16.845 7.631 1.00 20.13 O ATOM 1318 CB GLU A 329 -9.297 -17.616 7.502 1.00 63.41 C ATOM 1319 CG GLU A 329 -9.009 -16.114 7.503 1.00 41.33 C ATOM 1320 CD GLU A 329 -10.305 -15.307 7.600 1.00 75.22 C ATOM 1321 OE1 GLU A 329 -10.756 -14.735 6.596 1.00 34.22 O ATOM 1322 OE2 GLU A 329 -10.849 -15.288 8.769 1.00 11.45 O ATOM 0 H GLU A 329 -8.194 -17.872 9.761 1.00 51.54 H new ATOM 0 HA GLU A 329 -8.159 -19.406 7.303 1.00 3.25 H new ATOM 0 HB2 GLU A 329 -9.736 -17.905 6.547 1.00 63.41 H new ATOM 0 HB3 GLU A 329 -10.030 -17.850 8.274 1.00 63.41 H new ATOM 0 HG2 GLU A 329 -8.358 -15.866 8.341 1.00 41.33 H new ATOM 0 HG3 GLU A 329 -8.474 -15.842 6.593 1.00 41.33 H new ATOM 1330 N THR A 330 -6.509 -18.237 5.875 1.00 61.44 N ATOM 1331 CA THR A 330 -5.391 -17.702 5.117 1.00 43.23 C ATOM 1332 C THR A 330 -5.672 -16.257 4.701 1.00 40.33 C ATOM 1333 O THR A 330 -6.671 -15.981 4.039 1.00 52.25 O ATOM 1334 CB THR A 330 -5.132 -18.636 3.933 1.00 44.42 C ATOM 1335 OG1 THR A 330 -5.176 -19.940 4.504 1.00 61.44 O ATOM 1336 CG2 THR A 330 -3.706 -18.514 3.392 1.00 5.40 C ATOM 0 H THR A 330 -7.015 -18.992 5.412 1.00 61.44 H new ATOM 0 HA THR A 330 -4.485 -17.663 5.722 1.00 43.23 H new ATOM 0 HB THR A 330 -5.842 -18.417 3.136 1.00 44.42 H new ATOM 0 HG1 THR A 330 -5.019 -20.609 3.805 1.00 61.44 H new ATOM 0 HG21 THR A 330 -3.575 -19.198 2.553 1.00 5.40 H new ATOM 0 HG22 THR A 330 -3.530 -17.492 3.058 1.00 5.40 H new ATOM 0 HG23 THR A 330 -2.995 -18.766 4.179 1.00 5.40 H new ATOM 1344 N ILE A 331 -4.773 -15.372 5.106 1.00 22.23 N ATOM 1345 CA ILE A 331 -4.912 -13.962 4.784 1.00 64.21 C ATOM 1346 C ILE A 331 -4.058 -13.638 3.557 1.00 43.44 C ATOM 1347 O ILE A 331 -4.487 -12.893 2.677 1.00 61.04 O ATOM 1348 CB ILE A 331 -4.587 -13.099 6.005 1.00 41.03 C ATOM 1349 CG1 ILE A 331 -3.078 -12.887 6.140 1.00 3.43 C ATOM 1350 CG2 ILE A 331 -5.199 -13.694 7.275 1.00 45.51 C ATOM 1351 CD1 ILE A 331 -2.734 -12.239 7.483 1.00 3.11 C ATOM 0 H ILE A 331 -3.945 -15.604 5.655 1.00 22.23 H new ATOM 0 HA ILE A 331 -5.945 -13.730 4.525 1.00 64.21 H new ATOM 0 HB ILE A 331 -5.038 -12.117 5.860 1.00 41.03 H new ATOM 0 HG12 ILE A 331 -2.563 -13.844 6.051 1.00 3.43 H new ATOM 0 HG13 ILE A 331 -2.721 -12.256 5.326 1.00 3.43 H new ATOM 0 HG21 ILE A 331 -4.953 -13.062 8.128 1.00 45.51 H new ATOM 0 HG22 ILE A 331 -6.282 -13.750 7.165 1.00 45.51 H new ATOM 0 HG23 ILE A 331 -4.798 -14.695 7.438 1.00 45.51 H new ATOM 0 HD11 ILE A 331 -1.655 -12.099 7.554 1.00 3.11 H new ATOM 0 HD12 ILE A 331 -3.231 -11.272 7.558 1.00 3.11 H new ATOM 0 HD13 ILE A 331 -3.070 -12.884 8.295 1.00 3.11 H new ATOM 1363 N LEU A 332 -2.864 -14.212 3.537 1.00 71.40 N ATOM 1364 CA LEU A 332 -1.946 -13.994 2.432 1.00 11.31 C ATOM 1365 C LEU A 332 -1.214 -15.299 2.117 1.00 25.42 C ATOM 1366 O LEU A 332 -1.318 -16.270 2.866 1.00 71.15 O ATOM 1367 CB LEU A 332 -1.011 -12.822 2.737 1.00 42.23 C ATOM 1368 CG LEU A 332 -1.369 -11.488 2.077 1.00 35.53 C ATOM 1369 CD1 LEU A 332 -0.376 -10.395 2.475 1.00 65.43 C ATOM 1370 CD2 LEU A 332 -1.478 -11.640 0.559 1.00 53.44 C ATOM 0 H LEU A 332 -2.511 -14.828 4.269 1.00 71.40 H new ATOM 0 HA LEU A 332 -2.493 -13.711 1.533 1.00 11.31 H new ATOM 0 HB2 LEU A 332 -0.985 -12.675 3.817 1.00 42.23 H new ATOM 0 HB3 LEU A 332 -0.003 -13.098 2.429 1.00 42.23 H new ATOM 0 HG LEU A 332 -2.349 -11.179 2.440 1.00 35.53 H new ATOM 0 HD11 LEU A 332 -0.654 -9.458 1.992 1.00 65.43 H new ATOM 0 HD12 LEU A 332 -0.393 -10.265 3.557 1.00 65.43 H new ATOM 0 HD13 LEU A 332 0.627 -10.682 2.160 1.00 65.43 H new ATOM 0 HD21 LEU A 332 -1.733 -10.678 0.114 1.00 53.44 H new ATOM 0 HD22 LEU A 332 -0.524 -11.983 0.158 1.00 53.44 H new ATOM 0 HD23 LEU A 332 -2.254 -12.367 0.321 1.00 53.44 H new ATOM 1382 N VAL A 333 -0.488 -15.281 1.009 1.00 73.34 N ATOM 1383 CA VAL A 333 0.262 -16.452 0.585 1.00 15.25 C ATOM 1384 C VAL A 333 1.537 -16.004 -0.130 1.00 43.44 C ATOM 1385 O VAL A 333 1.484 -15.187 -1.049 1.00 73.51 O ATOM 1386 CB VAL A 333 -0.622 -17.356 -0.277 1.00 1.50 C ATOM 1387 CG1 VAL A 333 -2.083 -17.281 0.170 1.00 73.34 C ATOM 1388 CG2 VAL A 333 -0.483 -17.004 -1.760 1.00 30.43 C ATOM 0 H VAL A 333 -0.403 -14.474 0.391 1.00 73.34 H new ATOM 0 HA VAL A 333 0.565 -17.045 1.448 1.00 15.25 H new ATOM 0 HB VAL A 333 -0.283 -18.383 -0.143 1.00 1.50 H new ATOM 0 HG11 VAL A 333 -2.690 -17.933 -0.459 1.00 73.34 H new ATOM 0 HG12 VAL A 333 -2.163 -17.602 1.209 1.00 73.34 H new ATOM 0 HG13 VAL A 333 -2.439 -16.255 0.079 1.00 73.34 H new ATOM 0 HG21 VAL A 333 -1.121 -17.661 -2.351 1.00 30.43 H new ATOM 0 HG22 VAL A 333 -0.783 -15.968 -1.918 1.00 30.43 H new ATOM 0 HG23 VAL A 333 0.554 -17.132 -2.069 1.00 30.43 H new ATOM 1398 N GLY A 334 2.655 -16.557 0.318 1.00 74.04 N ATOM 1399 CA GLY A 334 3.942 -16.224 -0.269 1.00 32.53 C ATOM 1400 C GLY A 334 4.265 -17.151 -1.443 1.00 2.51 C ATOM 1401 O GLY A 334 4.462 -18.350 -1.256 1.00 24.20 O ATOM 0 H GLY A 334 2.696 -17.233 1.080 1.00 74.04 H new ATOM 0 HA2 GLY A 334 3.933 -15.189 -0.610 1.00 32.53 H new ATOM 0 HA3 GLY A 334 4.723 -16.304 0.488 1.00 32.53 H new ATOM 1405 N LYS A 335 4.310 -16.558 -2.627 1.00 74.33 N ATOM 1406 CA LYS A 335 4.606 -17.315 -3.832 1.00 34.22 C ATOM 1407 C LYS A 335 5.780 -18.258 -3.561 1.00 41.40 C ATOM 1408 O LYS A 335 5.905 -19.300 -4.202 1.00 33.11 O ATOM 1409 CB LYS A 335 4.834 -16.372 -5.015 1.00 1.04 C ATOM 1410 CG LYS A 335 6.295 -15.923 -5.084 1.00 22.40 C ATOM 1411 CD LYS A 335 6.598 -14.875 -4.012 1.00 24.04 C ATOM 1412 CE LYS A 335 8.038 -14.370 -4.130 1.00 31.21 C ATOM 1413 NZ LYS A 335 8.434 -14.263 -5.552 1.00 3.12 N ATOM 0 H LYS A 335 4.147 -15.563 -2.778 1.00 74.33 H new ATOM 0 HA LYS A 335 3.755 -17.937 -4.110 1.00 34.22 H new ATOM 0 HB2 LYS A 335 4.560 -16.874 -5.943 1.00 1.04 H new ATOM 0 HB3 LYS A 335 4.186 -15.501 -4.920 1.00 1.04 H new ATOM 0 HG2 LYS A 335 6.950 -16.784 -4.951 1.00 22.40 H new ATOM 0 HG3 LYS A 335 6.506 -15.511 -6.071 1.00 22.40 H new ATOM 0 HD2 LYS A 335 5.906 -14.038 -4.110 1.00 24.04 H new ATOM 0 HD3 LYS A 335 6.440 -15.305 -3.023 1.00 24.04 H new ATOM 0 HE2 LYS A 335 8.129 -13.397 -3.647 1.00 31.21 H new ATOM 0 HE3 LYS A 335 8.712 -15.050 -3.609 1.00 31.21 H new ATOM 0 HZ1 LYS A 335 9.299 -13.691 -5.629 1.00 3.12 H new ATOM 0 HZ2 LYS A 335 8.612 -15.213 -5.935 1.00 3.12 H new ATOM 0 HZ3 LYS A 335 7.670 -13.810 -6.092 1.00 3.12 H new ATOM 1426 N CYS A 336 6.612 -17.857 -2.611 1.00 32.04 N ATOM 1427 CA CYS A 336 7.772 -18.653 -2.247 1.00 51.21 C ATOM 1428 C CYS A 336 8.415 -19.179 -3.532 1.00 32.53 C ATOM 1429 O CYS A 336 8.394 -20.381 -3.793 1.00 74.21 O ATOM 1430 CB CYS A 336 7.403 -19.786 -1.288 1.00 15.14 C ATOM 1431 SG CYS A 336 8.513 -19.762 0.167 1.00 41.44 S ATOM 0 H CYS A 336 6.506 -16.991 -2.082 1.00 32.04 H new ATOM 0 HA CYS A 336 8.489 -18.032 -1.711 1.00 51.21 H new ATOM 0 HB2 CYS A 336 6.367 -19.679 -0.967 1.00 15.14 H new ATOM 0 HB3 CYS A 336 7.481 -20.746 -1.799 1.00 15.14 H new ATOM 0 HG CYS A 336 9.736 -19.982 -0.216 1.00 41.44 H new ATOM 1437 N ALA A 337 8.971 -18.254 -4.299 1.00 63.14 N ATOM 1438 CA ALA A 337 9.619 -18.610 -5.550 1.00 61.24 C ATOM 1439 C ALA A 337 10.935 -19.331 -5.251 1.00 70.21 C ATOM 1440 O ALA A 337 11.229 -19.641 -4.098 1.00 12.25 O ATOM 1441 CB ALA A 337 9.823 -17.352 -6.396 1.00 42.41 C ATOM 0 H ALA A 337 8.986 -17.258 -4.079 1.00 63.14 H new ATOM 0 HA ALA A 337 8.993 -19.292 -6.126 1.00 61.24 H new ATOM 0 HB1 ALA A 337 10.309 -17.619 -7.334 1.00 42.41 H new ATOM 0 HB2 ALA A 337 8.856 -16.894 -6.606 1.00 42.41 H new ATOM 0 HB3 ALA A 337 10.449 -16.645 -5.852 1.00 42.41 H new ATOM 1447 N ASP A 338 11.692 -19.578 -6.310 1.00 51.52 N ATOM 1448 CA ASP A 338 12.970 -20.256 -6.175 1.00 74.34 C ATOM 1449 C ASP A 338 14.030 -19.253 -5.717 1.00 54.42 C ATOM 1450 O ASP A 338 15.040 -19.060 -6.391 1.00 62.34 O ATOM 1451 CB ASP A 338 13.424 -20.846 -7.512 1.00 74.11 C ATOM 1452 CG ASP A 338 12.292 -21.302 -8.435 1.00 40.15 C ATOM 1453 OD1 ASP A 338 12.256 -22.460 -8.878 1.00 14.25 O ATOM 1454 OD2 ASP A 338 11.409 -20.400 -8.702 1.00 43.23 O ATOM 0 H ASP A 338 11.445 -19.321 -7.266 1.00 51.52 H new ATOM 0 HA ASP A 338 12.850 -21.059 -5.448 1.00 74.34 H new ATOM 0 HB2 ASP A 338 14.022 -20.101 -8.036 1.00 74.11 H new ATOM 0 HB3 ASP A 338 14.076 -21.697 -7.314 1.00 74.11 H new ATOM 1460 N SER A 339 13.762 -18.639 -4.574 1.00 24.14 N ATOM 1461 CA SER A 339 14.681 -17.660 -4.017 1.00 53.03 C ATOM 1462 C SER A 339 14.283 -17.328 -2.578 1.00 34.02 C ATOM 1463 O SER A 339 13.097 -17.241 -2.262 1.00 50.42 O ATOM 1464 CB SER A 339 14.710 -16.388 -4.867 1.00 2.23 C ATOM 1465 OG SER A 339 15.100 -16.653 -6.212 1.00 10.34 O ATOM 0 H SER A 339 12.922 -18.800 -4.018 1.00 24.14 H new ATOM 0 HA SER A 339 15.683 -18.090 -4.019 1.00 53.03 H new ATOM 0 HB2 SER A 339 13.723 -15.925 -4.860 1.00 2.23 H new ATOM 0 HB3 SER A 339 15.401 -15.671 -4.424 1.00 2.23 H new ATOM 0 HG SER A 339 15.570 -17.512 -6.253 1.00 10.34 H new ATOM 1471 N ASN A 340 15.296 -17.152 -1.743 1.00 63.10 N ATOM 1472 CA ASN A 340 15.067 -16.832 -0.344 1.00 41.44 C ATOM 1473 C ASN A 340 14.002 -15.738 -0.244 1.00 43.52 C ATOM 1474 O ASN A 340 13.239 -15.696 0.719 1.00 0.55 O ATOM 1475 CB ASN A 340 16.344 -16.311 0.318 1.00 41.53 C ATOM 1476 CG ASN A 340 17.544 -17.193 -0.034 1.00 55.45 C ATOM 1477 OD1 ASN A 340 18.042 -17.192 -1.148 1.00 73.02 O ATOM 1478 ND2 ASN A 340 17.978 -17.943 0.974 1.00 11.00 N ATOM 0 H ASN A 340 16.278 -17.225 -2.008 1.00 63.10 H new ATOM 0 HA ASN A 340 14.744 -17.742 0.162 1.00 41.44 H new ATOM 0 HB2 ASN A 340 16.534 -15.287 -0.005 1.00 41.53 H new ATOM 0 HB3 ASN A 340 16.212 -16.285 1.400 1.00 41.53 H new ATOM 0 HD21 ASN A 340 18.774 -18.566 0.840 1.00 11.00 H new ATOM 0 HD22 ASN A 340 17.515 -17.895 1.882 1.00 11.00 H new ATOM 1485 N GLU A 341 13.985 -14.879 -1.253 1.00 41.11 N ATOM 1486 CA GLU A 341 13.027 -13.788 -1.291 1.00 15.52 C ATOM 1487 C GLU A 341 11.601 -14.336 -1.381 1.00 0.12 C ATOM 1488 O GLU A 341 11.373 -15.386 -1.980 1.00 12.15 O ATOM 1489 CB GLU A 341 13.323 -12.837 -2.453 1.00 32.43 C ATOM 1490 CG GLU A 341 14.198 -11.668 -1.996 1.00 32.42 C ATOM 1491 CD GLU A 341 14.856 -10.976 -3.191 1.00 63.50 C ATOM 1492 OE1 GLU A 341 14.168 -10.627 -4.161 1.00 61.05 O ATOM 1493 OE2 GLU A 341 16.131 -10.804 -3.087 1.00 75.11 O ATOM 0 H GLU A 341 14.620 -14.917 -2.050 1.00 41.11 H new ATOM 0 HA GLU A 341 13.119 -13.218 -0.366 1.00 15.52 H new ATOM 0 HB2 GLU A 341 13.825 -13.380 -3.253 1.00 32.43 H new ATOM 0 HB3 GLU A 341 12.388 -12.457 -2.864 1.00 32.43 H new ATOM 0 HG2 GLU A 341 13.592 -10.950 -1.444 1.00 32.42 H new ATOM 0 HG3 GLU A 341 14.966 -12.030 -1.312 1.00 32.42 H new ATOM 1501 N ILE A 342 10.679 -13.601 -0.777 1.00 50.40 N ATOM 1502 CA ILE A 342 9.282 -14.000 -0.782 1.00 31.34 C ATOM 1503 C ILE A 342 8.399 -12.752 -0.725 1.00 72.21 C ATOM 1504 O ILE A 342 8.718 -11.792 -0.025 1.00 63.43 O ATOM 1505 CB ILE A 342 9.007 -15.000 0.344 1.00 51.32 C ATOM 1506 CG1 ILE A 342 10.068 -16.102 0.370 1.00 51.22 C ATOM 1507 CG2 ILE A 342 7.591 -15.569 0.237 1.00 30.51 C ATOM 1508 CD1 ILE A 342 9.773 -17.121 1.472 1.00 73.10 C ATOM 0 H ILE A 342 10.872 -12.731 -0.281 1.00 50.40 H new ATOM 0 HA ILE A 342 9.038 -14.521 -1.708 1.00 31.34 H new ATOM 0 HB ILE A 342 9.070 -14.471 1.295 1.00 51.32 H new ATOM 0 HG12 ILE A 342 10.099 -16.605 -0.597 1.00 51.22 H new ATOM 0 HG13 ILE A 342 11.052 -15.661 0.531 1.00 51.22 H new ATOM 0 HG21 ILE A 342 7.421 -16.277 1.048 1.00 30.51 H new ATOM 0 HG22 ILE A 342 6.867 -14.757 0.306 1.00 30.51 H new ATOM 0 HG23 ILE A 342 7.475 -16.079 -0.719 1.00 30.51 H new ATOM 0 HD11 ILE A 342 10.542 -17.893 1.469 1.00 73.10 H new ATOM 0 HD12 ILE A 342 9.767 -16.619 2.440 1.00 73.10 H new ATOM 0 HD13 ILE A 342 8.799 -17.578 1.294 1.00 73.10 H new ATOM 1520 N THR A 343 7.305 -12.806 -1.471 1.00 43.24 N ATOM 1521 CA THR A 343 6.374 -11.692 -1.515 1.00 53.51 C ATOM 1522 C THR A 343 4.932 -12.203 -1.546 1.00 41.30 C ATOM 1523 O THR A 343 4.478 -12.729 -2.561 1.00 12.31 O ATOM 1524 CB THR A 343 6.735 -10.820 -2.719 1.00 44.14 C ATOM 1525 OG1 THR A 343 6.672 -11.714 -3.827 1.00 22.42 O ATOM 1526 CG2 THR A 343 8.195 -10.362 -2.693 1.00 50.33 C ATOM 0 H THR A 343 7.043 -13.604 -2.050 1.00 43.24 H new ATOM 0 HA THR A 343 6.450 -11.079 -0.617 1.00 53.51 H new ATOM 0 HB THR A 343 6.081 -9.948 -2.745 1.00 44.14 H new ATOM 0 HG1 THR A 343 6.891 -11.230 -4.651 1.00 22.42 H new ATOM 0 HG21 THR A 343 8.399 -9.747 -3.569 1.00 50.33 H new ATOM 0 HG22 THR A 343 8.378 -9.780 -1.790 1.00 50.33 H new ATOM 0 HG23 THR A 343 8.850 -11.233 -2.701 1.00 50.33 H new ATOM 1534 N LEU A 344 4.253 -12.030 -0.422 1.00 34.22 N ATOM 1535 CA LEU A 344 2.872 -12.468 -0.307 1.00 53.52 C ATOM 1536 C LEU A 344 2.018 -11.720 -1.334 1.00 31.43 C ATOM 1537 O LEU A 344 2.141 -10.506 -1.483 1.00 5.31 O ATOM 1538 CB LEU A 344 2.378 -12.312 1.133 1.00 63.53 C ATOM 1539 CG LEU A 344 2.740 -13.449 2.092 1.00 52.44 C ATOM 1540 CD1 LEU A 344 4.254 -13.661 2.144 1.00 40.10 C ATOM 1541 CD2 LEU A 344 2.147 -13.203 3.481 1.00 61.34 C ATOM 0 H LEU A 344 4.633 -11.593 0.417 1.00 34.22 H new ATOM 0 HA LEU A 344 2.789 -13.531 -0.535 1.00 53.52 H new ATOM 0 HB2 LEU A 344 2.779 -11.382 1.535 1.00 63.53 H new ATOM 0 HB3 LEU A 344 1.293 -12.210 1.115 1.00 63.53 H new ATOM 0 HG LEU A 344 2.299 -14.371 1.712 1.00 52.44 H new ATOM 0 HD11 LEU A 344 4.484 -14.474 2.832 1.00 40.10 H new ATOM 0 HD12 LEU A 344 4.620 -13.913 1.149 1.00 40.10 H new ATOM 0 HD13 LEU A 344 4.738 -12.747 2.488 1.00 40.10 H new ATOM 0 HD21 LEU A 344 2.419 -14.025 4.143 1.00 61.34 H new ATOM 0 HD22 LEU A 344 2.538 -12.268 3.883 1.00 61.34 H new ATOM 0 HD23 LEU A 344 1.061 -13.140 3.407 1.00 61.34 H new ATOM 1553 N LYS A 345 1.171 -12.478 -2.015 1.00 13.32 N ATOM 1554 CA LYS A 345 0.297 -11.902 -3.023 1.00 34.50 C ATOM 1555 C LYS A 345 -1.126 -11.811 -2.466 1.00 44.34 C ATOM 1556 O LYS A 345 -1.582 -10.731 -2.095 1.00 52.52 O ATOM 1557 CB LYS A 345 0.395 -12.691 -4.331 1.00 5.43 C ATOM 1558 CG LYS A 345 1.790 -13.295 -4.502 1.00 64.51 C ATOM 1559 CD LYS A 345 1.857 -14.174 -5.753 1.00 20.21 C ATOM 1560 CE LYS A 345 2.796 -13.570 -6.798 1.00 45.52 C ATOM 1561 NZ LYS A 345 2.401 -13.997 -8.159 1.00 43.30 N ATOM 0 H LYS A 345 1.071 -13.485 -1.889 1.00 13.32 H new ATOM 0 HA LYS A 345 0.612 -10.887 -3.265 1.00 34.50 H new ATOM 0 HB2 LYS A 345 -0.352 -13.484 -4.338 1.00 5.43 H new ATOM 0 HB3 LYS A 345 0.173 -12.036 -5.173 1.00 5.43 H new ATOM 0 HG2 LYS A 345 2.529 -12.497 -4.574 1.00 64.51 H new ATOM 0 HG3 LYS A 345 2.044 -13.887 -3.623 1.00 64.51 H new ATOM 0 HD2 LYS A 345 2.202 -15.172 -5.482 1.00 20.21 H new ATOM 0 HD3 LYS A 345 0.859 -14.286 -6.177 1.00 20.21 H new ATOM 0 HE2 LYS A 345 2.773 -12.482 -6.731 1.00 45.52 H new ATOM 0 HE3 LYS A 345 3.821 -13.880 -6.597 1.00 45.52 H new ATOM 0 HZ1 LYS A 345 3.049 -13.578 -8.856 1.00 43.30 H new ATOM 0 HZ2 LYS A 345 2.446 -15.034 -8.224 1.00 43.30 H new ATOM 0 HZ3 LYS A 345 1.430 -13.680 -8.354 1.00 43.30 H new ATOM 1574 N SER A 346 -1.786 -12.958 -2.426 1.00 32.41 N ATOM 1575 CA SER A 346 -3.147 -13.021 -1.921 1.00 32.22 C ATOM 1576 C SER A 346 -3.837 -14.288 -2.431 1.00 41.13 C ATOM 1577 O SER A 346 -3.607 -14.711 -3.563 1.00 71.20 O ATOM 1578 CB SER A 346 -3.944 -11.781 -2.330 1.00 73.12 C ATOM 1579 OG SER A 346 -3.864 -10.748 -1.352 1.00 44.32 O ATOM 0 H SER A 346 -1.404 -13.852 -2.735 1.00 32.41 H new ATOM 0 HA SER A 346 -3.106 -13.051 -0.832 1.00 32.22 H new ATOM 0 HB2 SER A 346 -3.570 -11.408 -3.283 1.00 73.12 H new ATOM 0 HB3 SER A 346 -4.988 -12.055 -2.483 1.00 73.12 H new ATOM 0 HG SER A 346 -3.050 -10.223 -1.497 1.00 44.32 H new ATOM 1585 N PRO A 347 -4.691 -14.873 -1.549 1.00 2.31 N ATOM 1586 CA PRO A 347 -5.416 -16.083 -1.899 1.00 5.55 C ATOM 1587 C PRO A 347 -6.565 -15.775 -2.860 1.00 52.50 C ATOM 1588 O PRO A 347 -6.480 -16.072 -4.050 1.00 72.25 O ATOM 1589 CB PRO A 347 -5.888 -16.655 -0.572 1.00 63.52 C ATOM 1590 CG PRO A 347 -5.813 -15.512 0.426 1.00 13.41 C ATOM 1591 CD PRO A 347 -4.988 -14.399 -0.200 1.00 62.50 C ATOM 0 HA PRO A 347 -4.798 -16.805 -2.432 1.00 5.55 H new ATOM 0 HB2 PRO A 347 -6.906 -17.037 -0.652 1.00 63.52 H new ATOM 0 HB3 PRO A 347 -5.258 -17.488 -0.260 1.00 63.52 H new ATOM 0 HG2 PRO A 347 -6.813 -15.154 0.672 1.00 13.41 H new ATOM 0 HG3 PRO A 347 -5.357 -15.848 1.357 1.00 13.41 H new ATOM 0 HD2 PRO A 347 -5.542 -13.460 -0.223 1.00 62.50 H new ATOM 0 HD3 PRO A 347 -4.074 -14.217 0.366 1.00 62.50 H new ATOM 1599 N LEU A 348 -7.614 -15.182 -2.308 1.00 24.14 N ATOM 1600 CA LEU A 348 -8.779 -14.830 -3.101 1.00 62.34 C ATOM 1601 C LEU A 348 -9.129 -13.360 -2.862 1.00 20.44 C ATOM 1602 O LEU A 348 -9.276 -12.932 -1.718 1.00 31.21 O ATOM 1603 CB LEU A 348 -9.933 -15.792 -2.814 1.00 32.41 C ATOM 1604 CG LEU A 348 -10.012 -17.032 -3.707 1.00 44.03 C ATOM 1605 CD1 LEU A 348 -9.105 -18.146 -3.181 1.00 5.34 C ATOM 1606 CD2 LEU A 348 -11.459 -17.500 -3.869 1.00 71.35 C ATOM 0 H LEU A 348 -7.681 -14.936 -1.320 1.00 24.14 H new ATOM 0 HA LEU A 348 -8.563 -14.937 -4.164 1.00 62.34 H new ATOM 0 HB2 LEU A 348 -9.857 -16.120 -1.777 1.00 32.41 H new ATOM 0 HB3 LEU A 348 -10.870 -15.242 -2.907 1.00 32.41 H new ATOM 0 HG LEU A 348 -9.648 -16.762 -4.698 1.00 44.03 H new ATOM 0 HD11 LEU A 348 -9.180 -19.015 -3.834 1.00 5.34 H new ATOM 0 HD12 LEU A 348 -8.073 -17.796 -3.161 1.00 5.34 H new ATOM 0 HD13 LEU A 348 -9.415 -18.422 -2.173 1.00 5.34 H new ATOM 0 HD21 LEU A 348 -11.487 -18.383 -4.508 1.00 71.35 H new ATOM 0 HD22 LEU A 348 -11.873 -17.747 -2.891 1.00 71.35 H new ATOM 0 HD23 LEU A 348 -12.050 -16.705 -4.323 1.00 71.35 H new