USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=27 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 156:sc= -9.43! (180deg=-6.92!) USER MOD Set 1.2: A 336 CYS SG : rot -97:sc= -3.26 USER MOD Set 2.1: A 259 ASN : amide:sc= -4.32! C(o=-3.5!,f=-6.2!) USER MOD Set 2.2: A 260 SER OG : rot 180:sc= 0.863 USER MOD Set 3.1: A 256 ASN : amide:sc= -10.5! C(o=-14!,f=-20!) USER MOD Set 3.2: A 314 THR OG1 : rot -67:sc= -3.4! USER MOD Single : A 251 HIS : no HE2:sc= -7.29! C(o=-7.3!,f=-13!) USER MOD Single : A 255 SER OG : rot 180:sc= 0 USER MOD Single : A 262 HIS : no HE2:sc= -1.72! C(o=-1.7!,f=-5.1!) USER MOD Single : A 266 TYR OH : rot 165:sc= -0.526 USER MOD Single : A 267 ASN : amide:sc= -6.78! C(o=-6.8!,f=-8.4!) USER MOD Single : A 268 LYS NZ :NH3+ -110:sc= -1.42 (180deg=-4.06!) USER MOD Single : A 269 THR OG1 : rot 180:sc= 0 USER MOD Single : A 270 ASN : amide:sc= -2.43 K(o=-2.4,f=-4.2!) USER MOD Single : A 276 ASN : amide:sc= -2.41 K(o=-2.4,f=-3.9) USER MOD Single : A 277 CYS SG : rot 42:sc= 1.08 USER MOD Single : A 278 THR OG1 : rot -33:sc= 0.0853! USER MOD Single : A 282 SER OG : rot 180:sc= 0 USER MOD Single : A 283 SER OG : rot 180:sc= 0 USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 292 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 293 MET CE :methyl 163:sc= -2.69 (180deg=-3.96!) USER MOD Single : A 296 HIS : no HD1:sc= -1.19 X(o=-1.2,f=-1.3) USER MOD Single : A 301 LYS NZ :NH3+ -159:sc= -0.221 (180deg=-0.934) USER MOD Single : A 303 GLN : amide:sc= -0.374 X(o=-0.37,f=-0.0064) USER MOD Single : A 304 LYS NZ :NH3+ 168:sc= -4.19! (180deg=-4.83!) USER MOD Single : A 311 SER OG : rot 180:sc= -0.0252 USER MOD Single : A 317 SER OG : rot 180:sc= 0 USER MOD Single : A 318 ASN : amide:sc= -0.0113 K(o=-0.011,f=-0.58) USER MOD Single : A 319 TYR OH : rot -122:sc= 1.11 USER MOD Single : A 320 THR OG1 : rot 180:sc= 0 USER MOD Single : A 322 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 325 ASN : amide:sc= -13! C(o=-13!,f=-11!) USER MOD Single : A 326 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 330 THR OG1 : rot 180:sc= 0 USER MOD Single : A 335 LYS NZ :NH3+ -175:sc= -7.82! (180deg=-8.17!) USER MOD Single : A 339 SER OG : rot 180:sc= 0 USER MOD Single : A 340 ASN : amide:sc= -0.37 K(o=-0.37,f=-2.5) USER MOD Single : A 343 THR OG1 : rot 68:sc= 0.958 USER MOD Single : A 345 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 346 SER OG : rot 85:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 249 3.626 -5.236 -1.344 1.00 14.43 N ATOM 43 CA LEU A 249 4.015 -6.634 -1.411 1.00 51.14 C ATOM 44 C LEU A 249 4.627 -7.054 -0.073 1.00 41.45 C ATOM 45 O LEU A 249 5.089 -6.210 0.694 1.00 75.31 O ATOM 46 CB LEU A 249 4.933 -6.877 -2.611 1.00 71.00 C ATOM 47 CG LEU A 249 6.154 -5.962 -2.717 1.00 42.44 C ATOM 48 CD1 LEU A 249 6.620 -5.506 -1.333 1.00 40.13 C ATOM 49 CD2 LEU A 249 7.278 -6.636 -3.507 1.00 72.10 C ATOM 0 HA LEU A 249 3.141 -7.265 -1.574 1.00 51.14 H new ATOM 0 HB2 LEU A 249 5.280 -7.910 -2.575 1.00 71.00 H new ATOM 0 HB3 LEU A 249 4.344 -6.770 -3.522 1.00 71.00 H new ATOM 0 HG LEU A 249 5.863 -5.068 -3.269 1.00 42.44 H new ATOM 0 HD11 LEU A 249 7.489 -4.857 -1.437 1.00 40.13 H new ATOM 0 HD12 LEU A 249 5.816 -4.959 -0.840 1.00 40.13 H new ATOM 0 HD13 LEU A 249 6.887 -6.377 -0.734 1.00 40.13 H new ATOM 0 HD21 LEU A 249 8.134 -5.964 -3.567 1.00 72.10 H new ATOM 0 HD22 LEU A 249 7.574 -7.557 -3.005 1.00 72.10 H new ATOM 0 HD23 LEU A 249 6.927 -6.868 -4.513 1.00 72.10 H new ATOM 61 N LEU A 250 4.611 -8.357 0.165 1.00 5.32 N ATOM 62 CA LEU A 250 5.159 -8.899 1.397 1.00 4.40 C ATOM 63 C LEU A 250 6.385 -9.754 1.072 1.00 63.42 C ATOM 64 O LEU A 250 6.252 -10.917 0.693 1.00 24.13 O ATOM 65 CB LEU A 250 4.079 -9.645 2.181 1.00 34.52 C ATOM 66 CG LEU A 250 4.468 -10.108 3.587 1.00 64.04 C ATOM 67 CD1 LEU A 250 5.983 -10.032 3.788 1.00 0.14 C ATOM 68 CD2 LEU A 250 3.708 -9.319 4.654 1.00 34.22 C ATOM 0 H LEU A 250 4.227 -9.053 -0.474 1.00 5.32 H new ATOM 0 HA LEU A 250 5.496 -8.094 2.051 1.00 4.40 H new ATOM 0 HB2 LEU A 250 3.205 -8.998 2.262 1.00 34.52 H new ATOM 0 HB3 LEU A 250 3.777 -10.518 1.603 1.00 34.52 H new ATOM 0 HG LEU A 250 4.180 -11.154 3.695 1.00 64.04 H new ATOM 0 HD11 LEU A 250 6.234 -10.366 4.795 1.00 0.14 H new ATOM 0 HD12 LEU A 250 6.479 -10.672 3.059 1.00 0.14 H new ATOM 0 HD13 LEU A 250 6.317 -9.003 3.654 1.00 0.14 H new ATOM 0 HD21 LEU A 250 4.003 -9.668 5.644 1.00 34.22 H new ATOM 0 HD22 LEU A 250 3.942 -8.259 4.558 1.00 34.22 H new ATOM 0 HD23 LEU A 250 2.636 -9.467 4.522 1.00 34.22 H new ATOM 80 N HIS A 251 7.551 -9.146 1.231 1.00 3.33 N ATOM 81 CA HIS A 251 8.800 -9.837 0.959 1.00 31.34 C ATOM 82 C HIS A 251 9.374 -10.392 2.265 1.00 42.24 C ATOM 83 O HIS A 251 9.483 -9.671 3.255 1.00 1.31 O ATOM 84 CB HIS A 251 9.779 -8.921 0.223 1.00 60.23 C ATOM 85 CG HIS A 251 10.645 -9.634 -0.789 1.00 34.12 C ATOM 86 ND1 HIS A 251 11.423 -8.962 -1.716 1.00 33.54 N ATOM 87 CD2 HIS A 251 10.847 -10.965 -1.008 1.00 41.01 C ATOM 88 CE1 HIS A 251 12.060 -9.859 -2.455 1.00 14.32 C ATOM 89 NE2 HIS A 251 11.701 -11.099 -2.015 1.00 61.12 N ATOM 0 H HIS A 251 7.657 -8.181 1.545 1.00 3.33 H new ATOM 0 HA HIS A 251 8.615 -10.682 0.295 1.00 31.34 H new ATOM 0 HB2 HIS A 251 9.216 -8.137 -0.284 1.00 60.23 H new ATOM 0 HB3 HIS A 251 10.421 -8.430 0.954 1.00 60.23 H new ATOM 0 HD1 HIS A 251 11.494 -7.949 -1.814 1.00 33.54 H new ATOM 0 HD2 HIS A 251 10.390 -11.773 -0.456 1.00 41.01 H new ATOM 0 HE1 HIS A 251 12.743 -9.646 -3.264 1.00 14.32 H new ATOM 97 N VAL A 252 9.727 -11.668 2.223 1.00 34.44 N ATOM 98 CA VAL A 252 10.287 -12.328 3.390 1.00 20.14 C ATOM 99 C VAL A 252 11.725 -12.755 3.088 1.00 0.53 C ATOM 100 O VAL A 252 12.174 -12.670 1.947 1.00 45.05 O ATOM 101 CB VAL A 252 9.393 -13.496 3.811 1.00 71.30 C ATOM 102 CG1 VAL A 252 9.717 -13.950 5.236 1.00 41.52 C ATOM 103 CG2 VAL A 252 7.913 -13.131 3.675 1.00 44.11 C ATOM 0 H VAL A 252 9.636 -12.263 1.399 1.00 34.44 H new ATOM 0 HA VAL A 252 10.322 -11.642 4.236 1.00 20.14 H new ATOM 0 HB VAL A 252 9.595 -14.331 3.140 1.00 71.30 H new ATOM 0 HG11 VAL A 252 9.067 -14.781 5.510 1.00 41.52 H new ATOM 0 HG12 VAL A 252 10.757 -14.271 5.288 1.00 41.52 H new ATOM 0 HG13 VAL A 252 9.558 -13.122 5.927 1.00 41.52 H new ATOM 0 HG21 VAL A 252 7.300 -13.979 3.981 1.00 44.11 H new ATOM 0 HG22 VAL A 252 7.690 -12.274 4.310 1.00 44.11 H new ATOM 0 HG23 VAL A 252 7.694 -12.880 2.637 1.00 44.11 H new ATOM 113 N GLU A 253 12.407 -13.204 4.132 1.00 52.41 N ATOM 114 CA GLU A 253 13.785 -13.643 3.993 1.00 74.44 C ATOM 115 C GLU A 253 13.997 -14.966 4.732 1.00 50.00 C ATOM 116 O GLU A 253 13.764 -15.052 5.937 1.00 74.14 O ATOM 117 CB GLU A 253 14.755 -12.573 4.495 1.00 44.34 C ATOM 118 CG GLU A 253 16.164 -12.809 3.947 1.00 61.44 C ATOM 119 CD GLU A 253 16.516 -11.776 2.874 1.00 22.15 C ATOM 120 OE1 GLU A 253 16.716 -12.139 1.706 1.00 51.13 O ATOM 121 OE2 GLU A 253 16.578 -10.557 3.292 1.00 64.12 O ATOM 0 H GLU A 253 12.031 -13.273 5.078 1.00 52.41 H new ATOM 0 HA GLU A 253 13.990 -13.803 2.934 1.00 74.44 H new ATOM 0 HB2 GLU A 253 14.403 -11.587 4.191 1.00 44.34 H new ATOM 0 HB3 GLU A 253 14.779 -12.581 5.585 1.00 44.34 H new ATOM 0 HG2 GLU A 253 16.888 -12.755 4.760 1.00 61.44 H new ATOM 0 HG3 GLU A 253 16.231 -13.812 3.527 1.00 61.44 H new ATOM 129 N VAL A 254 14.437 -15.964 3.980 1.00 42.34 N ATOM 130 CA VAL A 254 14.684 -17.278 4.549 1.00 54.24 C ATOM 131 C VAL A 254 16.190 -17.478 4.724 1.00 22.43 C ATOM 132 O VAL A 254 16.925 -17.582 3.743 1.00 32.22 O ATOM 133 CB VAL A 254 14.035 -18.355 3.677 1.00 34.35 C ATOM 134 CG1 VAL A 254 14.114 -19.727 4.351 1.00 4.43 C ATOM 135 CG2 VAL A 254 12.586 -17.992 3.344 1.00 44.43 C ATOM 0 H VAL A 254 14.629 -15.889 2.981 1.00 42.34 H new ATOM 0 HA VAL A 254 14.229 -17.359 5.536 1.00 54.24 H new ATOM 0 HB VAL A 254 14.591 -18.408 2.741 1.00 34.35 H new ATOM 0 HG11 VAL A 254 13.646 -20.474 3.711 1.00 4.43 H new ATOM 0 HG12 VAL A 254 15.158 -19.992 4.515 1.00 4.43 H new ATOM 0 HG13 VAL A 254 13.594 -19.693 5.308 1.00 4.43 H new ATOM 0 HG21 VAL A 254 12.148 -18.774 2.723 1.00 44.43 H new ATOM 0 HG22 VAL A 254 12.013 -17.898 4.267 1.00 44.43 H new ATOM 0 HG23 VAL A 254 12.563 -17.045 2.804 1.00 44.43 H new ATOM 145 N SER A 255 16.606 -17.527 5.981 1.00 13.04 N ATOM 146 CA SER A 255 18.012 -17.713 6.298 1.00 35.32 C ATOM 147 C SER A 255 18.409 -19.174 6.075 1.00 1.22 C ATOM 148 O SER A 255 19.223 -19.473 5.203 1.00 61.11 O ATOM 149 CB SER A 255 18.311 -17.296 7.739 1.00 3.22 C ATOM 150 OG SER A 255 19.629 -16.772 7.880 1.00 1.01 O ATOM 0 H SER A 255 15.994 -17.441 6.792 1.00 13.04 H new ATOM 0 HA SER A 255 18.600 -17.078 5.635 1.00 35.32 H new ATOM 0 HB2 SER A 255 17.587 -16.546 8.057 1.00 3.22 H new ATOM 0 HB3 SER A 255 18.190 -18.156 8.398 1.00 3.22 H new ATOM 0 HG SER A 255 19.781 -16.516 8.814 1.00 1.01 H new ATOM 156 N ASN A 256 17.816 -20.044 6.879 1.00 61.43 N ATOM 157 CA ASN A 256 18.098 -21.466 6.780 1.00 21.51 C ATOM 158 C ASN A 256 19.547 -21.725 7.199 1.00 13.03 C ATOM 159 O ASN A 256 20.375 -22.111 6.376 1.00 23.23 O ATOM 160 CB ASN A 256 17.926 -21.964 5.344 1.00 52.24 C ATOM 161 CG ASN A 256 17.530 -23.441 5.319 1.00 72.43 C ATOM 162 OD1 ASN A 256 16.430 -23.810 4.941 1.00 52.24 O ATOM 163 ND2 ASN A 256 18.485 -24.265 5.742 1.00 51.45 N ATOM 0 H ASN A 256 17.142 -19.792 7.602 1.00 61.43 H new ATOM 0 HA ASN A 256 17.400 -21.993 7.431 1.00 21.51 H new ATOM 0 HB2 ASN A 256 17.164 -21.371 4.839 1.00 52.24 H new ATOM 0 HB3 ASN A 256 18.856 -21.824 4.793 1.00 52.24 H new ATOM 0 HD21 ASN A 256 18.318 -25.271 5.763 1.00 51.45 H new ATOM 0 HD22 ASN A 256 19.384 -23.891 6.045 1.00 51.45 H new ATOM 170 N GLU A 257 19.808 -21.501 8.479 1.00 73.52 N ATOM 171 CA GLU A 257 21.142 -21.705 9.017 1.00 32.42 C ATOM 172 C GLU A 257 21.305 -23.148 9.499 1.00 31.33 C ATOM 173 O GLU A 257 20.328 -23.891 9.589 1.00 2.41 O ATOM 174 CB GLU A 257 21.435 -20.714 10.145 1.00 64.00 C ATOM 175 CG GLU A 257 20.985 -19.302 9.765 1.00 34.11 C ATOM 176 CD GLU A 257 21.534 -18.268 10.750 1.00 51.23 C ATOM 177 OE1 GLU A 257 20.981 -18.101 11.847 1.00 75.22 O ATOM 178 OE2 GLU A 257 22.575 -17.625 10.341 1.00 60.01 O ATOM 0 H GLU A 257 19.118 -21.180 9.159 1.00 73.52 H new ATOM 0 HA GLU A 257 21.865 -21.524 8.222 1.00 32.42 H new ATOM 0 HB2 GLU A 257 20.923 -21.030 11.054 1.00 64.00 H new ATOM 0 HB3 GLU A 257 22.503 -20.713 10.364 1.00 64.00 H new ATOM 0 HG2 GLU A 257 21.327 -19.067 8.757 1.00 34.11 H new ATOM 0 HG3 GLU A 257 19.896 -19.255 9.752 1.00 34.11 H new ATOM 186 N ASP A 258 22.546 -23.502 9.797 1.00 64.31 N ATOM 187 CA ASP A 258 22.850 -24.843 10.268 1.00 71.14 C ATOM 188 C ASP A 258 22.364 -24.995 11.711 1.00 42.55 C ATOM 189 O ASP A 258 22.272 -26.108 12.225 1.00 62.23 O ATOM 190 CB ASP A 258 24.357 -25.107 10.246 1.00 52.42 C ATOM 191 CG ASP A 258 24.970 -25.239 8.850 1.00 30.34 C ATOM 192 OD1 ASP A 258 25.942 -24.548 8.511 1.00 11.15 O ATOM 193 OD2 ASP A 258 24.401 -26.108 8.085 1.00 32.12 O ATOM 0 H ASP A 258 23.354 -22.883 9.722 1.00 64.31 H new ATOM 0 HA ASP A 258 22.350 -25.553 9.609 1.00 71.14 H new ATOM 0 HB2 ASP A 258 24.860 -24.296 10.772 1.00 52.42 H new ATOM 0 HB3 ASP A 258 24.559 -26.022 10.803 1.00 52.42 H new ATOM 199 N ASN A 259 22.066 -23.858 12.323 1.00 23.22 N ATOM 200 CA ASN A 259 21.592 -23.850 13.697 1.00 64.42 C ATOM 201 C ASN A 259 20.071 -24.014 13.708 1.00 63.32 C ATOM 202 O ASN A 259 19.533 -24.798 14.488 1.00 25.24 O ATOM 203 CB ASN A 259 21.931 -22.528 14.389 1.00 75.35 C ATOM 204 CG ASN A 259 21.561 -21.336 13.503 1.00 23.24 C ATOM 205 OD1 ASN A 259 22.365 -20.823 12.742 1.00 12.32 O ATOM 206 ND2 ASN A 259 20.304 -20.926 13.645 1.00 62.10 N ATOM 0 H ASN A 259 22.144 -22.936 11.893 1.00 23.22 H new ATOM 0 HA ASN A 259 22.079 -24.669 14.227 1.00 64.42 H new ATOM 0 HB2 ASN A 259 21.396 -22.462 15.337 1.00 75.35 H new ATOM 0 HB3 ASN A 259 22.996 -22.497 14.621 1.00 75.35 H new ATOM 0 HD21 ASN A 259 19.960 -20.137 13.098 1.00 62.10 H new ATOM 0 HD22 ASN A 259 19.684 -21.401 14.301 1.00 62.10 H new ATOM 213 N SER A 260 19.421 -23.262 12.833 1.00 53.23 N ATOM 214 CA SER A 260 17.972 -23.314 12.732 1.00 41.21 C ATOM 215 C SER A 260 17.495 -22.422 11.584 1.00 61.35 C ATOM 216 O SER A 260 18.307 -21.833 10.872 1.00 0.53 O ATOM 217 CB SER A 260 17.313 -22.886 14.045 1.00 70.33 C ATOM 218 OG SER A 260 17.971 -21.767 14.633 1.00 60.41 O ATOM 0 H SER A 260 19.871 -22.613 12.187 1.00 53.23 H new ATOM 0 HA SER A 260 17.680 -24.344 12.529 1.00 41.21 H new ATOM 0 HB2 SER A 260 16.268 -22.637 13.862 1.00 70.33 H new ATOM 0 HB3 SER A 260 17.323 -23.721 14.745 1.00 70.33 H new ATOM 0 HG SER A 260 17.520 -21.524 15.468 1.00 60.41 H new ATOM 224 N LEU A 261 16.180 -22.352 11.438 1.00 21.22 N ATOM 225 CA LEU A 261 15.585 -21.543 10.388 1.00 2.34 C ATOM 226 C LEU A 261 15.335 -20.130 10.920 1.00 45.34 C ATOM 227 O LEU A 261 15.538 -19.863 12.103 1.00 13.12 O ATOM 228 CB LEU A 261 14.331 -22.222 9.834 1.00 43.33 C ATOM 229 CG LEU A 261 14.561 -23.257 8.730 1.00 4.45 C ATOM 230 CD1 LEU A 261 13.300 -24.088 8.487 1.00 43.43 C ATOM 231 CD2 LEU A 261 15.065 -22.589 7.449 1.00 73.20 C ATOM 0 H LEU A 261 15.510 -22.843 12.030 1.00 21.22 H new ATOM 0 HA LEU A 261 16.269 -21.451 9.544 1.00 2.34 H new ATOM 0 HB2 LEU A 261 13.811 -22.709 10.659 1.00 43.33 H new ATOM 0 HB3 LEU A 261 13.664 -21.451 9.448 1.00 43.33 H new ATOM 0 HG LEU A 261 15.340 -23.944 9.062 1.00 4.45 H new ATOM 0 HD11 LEU A 261 13.490 -24.816 7.698 1.00 43.43 H new ATOM 0 HD12 LEU A 261 13.026 -24.610 9.404 1.00 43.43 H new ATOM 0 HD13 LEU A 261 12.484 -23.431 8.186 1.00 43.43 H new ATOM 0 HD21 LEU A 261 15.220 -23.346 6.681 1.00 73.20 H new ATOM 0 HD22 LEU A 261 14.327 -21.866 7.102 1.00 73.20 H new ATOM 0 HD23 LEU A 261 16.007 -22.079 7.651 1.00 73.20 H new ATOM 243 N HIS A 262 14.899 -19.262 10.019 1.00 45.24 N ATOM 244 CA HIS A 262 14.620 -17.883 10.382 1.00 50.23 C ATOM 245 C HIS A 262 13.948 -17.169 9.207 1.00 1.10 C ATOM 246 O HIS A 262 14.607 -16.821 8.228 1.00 31.22 O ATOM 247 CB HIS A 262 15.892 -17.177 10.855 1.00 23.22 C ATOM 248 CG HIS A 262 15.649 -16.093 11.878 1.00 30.41 C ATOM 249 ND1 HIS A 262 16.675 -15.381 12.474 1.00 20.45 N ATOM 250 CD2 HIS A 262 14.487 -15.607 12.403 1.00 64.44 C ATOM 251 CE1 HIS A 262 16.144 -14.510 13.319 1.00 55.43 C ATOM 252 NE2 HIS A 262 14.788 -14.652 13.273 1.00 13.52 N ATOM 0 H HIS A 262 14.732 -19.487 9.038 1.00 45.24 H new ATOM 0 HA HIS A 262 13.927 -17.858 11.223 1.00 50.23 H new ATOM 0 HB2 HIS A 262 16.570 -17.918 11.280 1.00 23.22 H new ATOM 0 HB3 HIS A 262 16.396 -16.742 9.992 1.00 23.22 H new ATOM 0 HD1 HIS A 262 17.671 -15.506 12.293 1.00 20.45 H new ATOM 0 HD2 HIS A 262 13.492 -15.943 12.153 1.00 64.44 H new ATOM 0 HE1 HIS A 262 16.689 -13.811 13.936 1.00 55.43 H new ATOM 260 N PHE A 263 12.645 -16.972 9.343 1.00 1.52 N ATOM 261 CA PHE A 263 11.877 -16.305 8.305 1.00 34.35 C ATOM 262 C PHE A 263 11.484 -14.891 8.737 1.00 54.13 C ATOM 263 O PHE A 263 10.441 -14.695 9.360 1.00 63.12 O ATOM 264 CB PHE A 263 10.607 -17.131 8.089 1.00 31.15 C ATOM 265 CG PHE A 263 10.865 -18.539 7.550 1.00 72.42 C ATOM 266 CD1 PHE A 263 11.200 -19.544 8.403 1.00 3.22 C ATOM 267 CD2 PHE A 263 10.759 -18.787 6.217 1.00 53.23 C ATOM 268 CE1 PHE A 263 11.440 -20.851 7.902 1.00 13.34 C ATOM 269 CE2 PHE A 263 10.998 -20.094 5.716 1.00 42.22 C ATOM 270 CZ PHE A 263 11.334 -21.098 6.569 1.00 33.23 C ATOM 0 H PHE A 263 12.102 -17.262 10.156 1.00 1.52 H new ATOM 0 HA PHE A 263 12.471 -16.226 7.395 1.00 34.35 H new ATOM 0 HB2 PHE A 263 10.071 -17.208 9.035 1.00 31.15 H new ATOM 0 HB3 PHE A 263 9.955 -16.601 7.395 1.00 31.15 H new ATOM 0 HD1 PHE A 263 11.284 -19.348 9.462 1.00 3.22 H new ATOM 0 HD2 PHE A 263 10.493 -17.989 5.539 1.00 53.23 H new ATOM 0 HE1 PHE A 263 11.707 -21.649 8.580 1.00 13.34 H new ATOM 0 HE2 PHE A 263 10.913 -20.291 4.657 1.00 42.22 H new ATOM 0 HZ PHE A 263 11.517 -22.092 6.188 1.00 33.23 H new ATOM 280 N ILE A 264 12.339 -13.941 8.388 1.00 61.20 N ATOM 281 CA ILE A 264 12.094 -12.551 8.731 1.00 4.42 C ATOM 282 C ILE A 264 11.274 -11.892 7.620 1.00 64.21 C ATOM 283 O ILE A 264 11.778 -11.672 6.519 1.00 32.43 O ATOM 284 CB ILE A 264 13.412 -11.833 9.031 1.00 10.10 C ATOM 285 CG1 ILE A 264 14.232 -12.603 10.068 1.00 42.01 C ATOM 286 CG2 ILE A 264 13.163 -10.385 9.458 1.00 53.13 C ATOM 287 CD1 ILE A 264 15.658 -12.055 10.156 1.00 10.01 C ATOM 0 H ILE A 264 13.202 -14.107 7.871 1.00 61.20 H new ATOM 0 HA ILE A 264 11.505 -12.483 9.645 1.00 4.42 H new ATOM 0 HB ILE A 264 14.000 -11.802 8.114 1.00 10.10 H new ATOM 0 HG12 ILE A 264 13.750 -12.532 11.043 1.00 42.01 H new ATOM 0 HG13 ILE A 264 14.260 -13.660 9.803 1.00 42.01 H new ATOM 0 HG21 ILE A 264 14.116 -9.898 9.665 1.00 53.13 H new ATOM 0 HG22 ILE A 264 12.650 -9.853 8.657 1.00 53.13 H new ATOM 0 HG23 ILE A 264 12.546 -10.372 10.356 1.00 53.13 H new ATOM 0 HD11 ILE A 264 16.220 -12.620 10.900 1.00 10.01 H new ATOM 0 HD12 ILE A 264 16.145 -12.150 9.185 1.00 10.01 H new ATOM 0 HD13 ILE A 264 15.627 -11.005 10.445 1.00 10.01 H new ATOM 299 N LEU A 265 10.025 -11.596 7.946 1.00 20.04 N ATOM 300 CA LEU A 265 9.130 -10.967 6.990 1.00 65.25 C ATOM 301 C LEU A 265 8.847 -9.530 7.431 1.00 11.02 C ATOM 302 O LEU A 265 8.498 -9.289 8.586 1.00 63.01 O ATOM 303 CB LEU A 265 7.869 -11.812 6.800 1.00 63.34 C ATOM 304 CG LEU A 265 7.480 -12.710 7.976 1.00 63.54 C ATOM 305 CD1 LEU A 265 5.969 -12.943 8.011 1.00 73.40 C ATOM 306 CD2 LEU A 265 8.262 -14.025 7.944 1.00 63.15 C ATOM 0 H LEU A 265 9.611 -11.780 8.860 1.00 20.04 H new ATOM 0 HA LEU A 265 9.600 -10.912 6.008 1.00 65.25 H new ATOM 0 HB2 LEU A 265 7.035 -11.142 6.589 1.00 63.34 H new ATOM 0 HB3 LEU A 265 8.005 -12.439 5.919 1.00 63.34 H new ATOM 0 HG LEU A 265 7.749 -12.198 8.900 1.00 63.54 H new ATOM 0 HD11 LEU A 265 5.719 -13.584 8.856 1.00 73.40 H new ATOM 0 HD12 LEU A 265 5.456 -11.987 8.117 1.00 73.40 H new ATOM 0 HD13 LEU A 265 5.653 -13.424 7.085 1.00 73.40 H new ATOM 0 HD21 LEU A 265 7.967 -14.645 8.791 1.00 63.15 H new ATOM 0 HD22 LEU A 265 8.047 -14.553 7.015 1.00 63.15 H new ATOM 0 HD23 LEU A 265 9.330 -13.815 8.003 1.00 63.15 H new ATOM 318 N TYR A 266 9.007 -8.613 6.489 1.00 41.32 N ATOM 319 CA TYR A 266 8.773 -7.206 6.766 1.00 12.32 C ATOM 320 C TYR A 266 7.588 -6.677 5.955 1.00 44.32 C ATOM 321 O TYR A 266 7.460 -6.977 4.769 1.00 60.30 O ATOM 322 CB TYR A 266 10.043 -6.473 6.330 1.00 53.42 C ATOM 323 CG TYR A 266 11.335 -7.234 6.630 1.00 62.42 C ATOM 324 CD1 TYR A 266 11.799 -8.184 5.742 1.00 52.45 C ATOM 325 CD2 TYR A 266 12.038 -6.972 7.789 1.00 75.45 C ATOM 326 CE1 TYR A 266 13.015 -8.901 6.024 1.00 43.42 C ATOM 327 CE2 TYR A 266 13.254 -7.689 8.071 1.00 70.42 C ATOM 328 CZ TYR A 266 13.683 -8.618 7.175 1.00 71.15 C ATOM 329 OH TYR A 266 14.832 -9.295 7.441 1.00 33.22 O ATOM 0 H TYR A 266 9.296 -8.817 5.532 1.00 41.32 H new ATOM 0 HA TYR A 266 8.545 -7.055 7.821 1.00 12.32 H new ATOM 0 HB2 TYR A 266 9.988 -6.279 5.259 1.00 53.42 H new ATOM 0 HB3 TYR A 266 10.080 -5.504 6.828 1.00 53.42 H new ATOM 0 HD1 TYR A 266 11.249 -8.389 4.835 1.00 52.45 H new ATOM 0 HD2 TYR A 266 11.676 -6.229 8.484 1.00 75.45 H new ATOM 0 HE1 TYR A 266 13.388 -9.647 5.338 1.00 43.42 H new ATOM 0 HE2 TYR A 266 13.813 -7.494 8.974 1.00 70.42 H new ATOM 0 HH TYR A 266 15.324 -8.837 8.154 1.00 33.22 H new ATOM 339 N ASN A 267 6.753 -5.898 6.626 1.00 11.02 N ATOM 340 CA ASN A 267 5.583 -5.324 5.982 1.00 24.34 C ATOM 341 C ASN A 267 6.005 -4.101 5.165 1.00 32.34 C ATOM 342 O ASN A 267 6.517 -3.128 5.717 1.00 61.42 O ATOM 343 CB ASN A 267 4.553 -4.869 7.017 1.00 34.13 C ATOM 344 CG ASN A 267 5.020 -3.601 7.735 1.00 34.44 C ATOM 345 OD1 ASN A 267 6.009 -3.590 8.449 1.00 10.12 O ATOM 346 ND2 ASN A 267 4.255 -2.538 7.508 1.00 55.34 N ATOM 0 H ASN A 267 6.863 -5.650 7.609 1.00 11.02 H new ATOM 0 HA ASN A 267 5.140 -6.088 5.344 1.00 24.34 H new ATOM 0 HB2 ASN A 267 3.598 -4.683 6.527 1.00 34.13 H new ATOM 0 HB3 ASN A 267 4.388 -5.663 7.745 1.00 34.13 H new ATOM 0 HD21 ASN A 267 4.482 -1.644 7.943 1.00 55.34 H new ATOM 0 HD22 ASN A 267 3.441 -2.616 6.899 1.00 55.34 H new ATOM 353 N LYS A 268 5.774 -4.191 3.864 1.00 54.41 N ATOM 354 CA LYS A 268 6.123 -3.103 2.965 1.00 32.43 C ATOM 355 C LYS A 268 4.877 -2.263 2.680 1.00 14.12 C ATOM 356 O LYS A 268 4.974 -1.173 2.118 1.00 32.11 O ATOM 357 CB LYS A 268 6.800 -3.646 1.705 1.00 20.23 C ATOM 358 CG LYS A 268 8.119 -4.341 2.048 1.00 24.20 C ATOM 359 CD LYS A 268 9.302 -3.385 1.880 1.00 23.34 C ATOM 360 CE LYS A 268 9.592 -2.638 3.183 1.00 12.44 C ATOM 361 NZ LYS A 268 8.877 -1.342 3.207 1.00 1.31 N ATOM 0 H LYS A 268 5.350 -5.000 3.410 1.00 54.41 H new ATOM 0 HA LYS A 268 6.853 -2.442 3.432 1.00 32.43 H new ATOM 0 HB2 LYS A 268 6.134 -4.349 1.204 1.00 20.23 H new ATOM 0 HB3 LYS A 268 6.986 -2.830 1.007 1.00 20.23 H new ATOM 0 HG2 LYS A 268 8.085 -4.707 3.074 1.00 24.20 H new ATOM 0 HG3 LYS A 268 8.255 -5.210 1.404 1.00 24.20 H new ATOM 0 HD2 LYS A 268 10.186 -3.945 1.573 1.00 23.34 H new ATOM 0 HD3 LYS A 268 9.086 -2.669 1.087 1.00 23.34 H new ATOM 0 HE2 LYS A 268 9.284 -3.246 4.034 1.00 12.44 H new ATOM 0 HE3 LYS A 268 10.664 -2.470 3.282 1.00 12.44 H new ATOM 0 HZ1 LYS A 268 9.563 -0.565 3.120 1.00 1.31 H new ATOM 0 HZ2 LYS A 268 8.206 -1.301 2.414 1.00 1.31 H new ATOM 0 HZ3 LYS A 268 8.359 -1.248 4.104 1.00 1.31 H new ATOM 374 N THR A 269 3.734 -2.801 3.081 1.00 63.42 N ATOM 375 CA THR A 269 2.470 -2.115 2.875 1.00 4.54 C ATOM 376 C THR A 269 2.356 -0.915 3.818 1.00 32.35 C ATOM 377 O THR A 269 3.226 -0.698 4.660 1.00 13.25 O ATOM 378 CB THR A 269 1.344 -3.135 3.050 1.00 10.12 C ATOM 379 OG1 THR A 269 1.280 -3.343 4.458 1.00 34.14 O ATOM 380 CG2 THR A 269 1.707 -4.510 2.486 1.00 31.25 C ATOM 0 H THR A 269 3.657 -3.705 3.548 1.00 63.42 H new ATOM 0 HA THR A 269 2.402 -1.705 1.867 1.00 4.54 H new ATOM 0 HB THR A 269 0.442 -2.768 2.560 1.00 10.12 H new ATOM 0 HG1 THR A 269 0.573 -3.991 4.661 1.00 34.14 H new ATOM 0 HG21 THR A 269 0.874 -5.196 2.636 1.00 31.25 H new ATOM 0 HG22 THR A 269 1.917 -4.422 1.420 1.00 31.25 H new ATOM 0 HG23 THR A 269 2.589 -4.893 3.000 1.00 31.25 H new ATOM 388 N ASN A 270 1.275 -0.168 3.646 1.00 62.54 N ATOM 389 CA ASN A 270 1.035 1.003 4.471 1.00 44.21 C ATOM 390 C ASN A 270 0.268 0.588 5.727 1.00 15.24 C ATOM 391 O ASN A 270 0.582 1.038 6.828 1.00 22.43 O ATOM 392 CB ASN A 270 0.194 2.040 3.724 1.00 45.21 C ATOM 393 CG ASN A 270 -1.101 1.419 3.197 1.00 10.44 C ATOM 394 OD1 ASN A 270 -2.108 1.346 3.882 1.00 1.05 O ATOM 395 ND2 ASN A 270 -1.020 0.978 1.946 1.00 65.15 N ATOM 0 H ASN A 270 0.555 -0.352 2.947 1.00 62.54 H new ATOM 0 HA ASN A 270 2.001 1.439 4.727 1.00 44.21 H new ATOM 0 HB2 ASN A 270 -0.041 2.870 4.390 1.00 45.21 H new ATOM 0 HB3 ASN A 270 0.769 2.450 2.894 1.00 45.21 H new ATOM 0 HD21 ASN A 270 -1.832 0.547 1.503 1.00 65.15 H new ATOM 0 HD22 ASN A 270 -0.146 1.070 1.428 1.00 65.15 H new ATOM 402 N ILE A 271 -0.725 -0.265 5.521 1.00 51.31 N ATOM 403 CA ILE A 271 -1.540 -0.745 6.623 1.00 34.54 C ATOM 404 C ILE A 271 -0.631 -1.318 7.712 1.00 31.44 C ATOM 405 O ILE A 271 0.584 -1.395 7.535 1.00 74.31 O ATOM 406 CB ILE A 271 -2.594 -1.734 6.119 1.00 12.44 C ATOM 407 CG1 ILE A 271 -1.947 -3.047 5.676 1.00 23.12 C ATOM 408 CG2 ILE A 271 -3.444 -1.110 5.010 1.00 21.41 C ATOM 409 CD1 ILE A 271 -2.956 -4.196 5.714 1.00 31.22 C ATOM 0 H ILE A 271 -0.983 -0.636 4.607 1.00 51.31 H new ATOM 0 HA ILE A 271 -2.097 0.078 7.072 1.00 34.54 H new ATOM 0 HB ILE A 271 -3.265 -1.970 6.945 1.00 12.44 H new ATOM 0 HG12 ILE A 271 -1.552 -2.939 4.666 1.00 23.12 H new ATOM 0 HG13 ILE A 271 -1.103 -3.278 6.326 1.00 23.12 H new ATOM 0 HG21 ILE A 271 -4.185 -1.833 4.669 1.00 21.41 H new ATOM 0 HG22 ILE A 271 -3.951 -0.225 5.394 1.00 21.41 H new ATOM 0 HG23 ILE A 271 -2.802 -0.827 4.175 1.00 21.41 H new ATOM 0 HD11 ILE A 271 -2.470 -5.118 5.394 1.00 31.22 H new ATOM 0 HD12 ILE A 271 -3.331 -4.317 6.730 1.00 31.22 H new ATOM 0 HD13 ILE A 271 -3.787 -3.973 5.045 1.00 31.22 H new ATOM 421 N ILE A 272 -1.254 -1.706 8.816 1.00 53.34 N ATOM 422 CA ILE A 272 -0.517 -2.269 9.933 1.00 25.33 C ATOM 423 C ILE A 272 -1.004 -3.696 10.193 1.00 62.32 C ATOM 424 O ILE A 272 -2.207 -3.951 10.216 1.00 0.54 O ATOM 425 CB ILE A 272 -0.614 -1.354 11.156 1.00 72.33 C ATOM 426 CG1 ILE A 272 0.249 -0.104 10.975 1.00 21.00 C ATOM 427 CG2 ILE A 272 -0.264 -2.113 12.438 1.00 43.45 C ATOM 428 CD1 ILE A 272 -0.376 1.100 11.682 1.00 4.40 C ATOM 0 H ILE A 272 -2.262 -1.641 8.960 1.00 53.34 H new ATOM 0 HA ILE A 272 0.545 -2.332 9.695 1.00 25.33 H new ATOM 0 HB ILE A 272 -1.647 -1.020 11.252 1.00 72.33 H new ATOM 0 HG12 ILE A 272 1.247 -0.286 11.373 1.00 21.00 H new ATOM 0 HG13 ILE A 272 0.364 0.113 9.913 1.00 21.00 H new ATOM 0 HG21 ILE A 272 -0.341 -1.440 13.292 1.00 43.45 H new ATOM 0 HG22 ILE A 272 -0.956 -2.945 12.569 1.00 43.45 H new ATOM 0 HG23 ILE A 272 0.754 -2.495 12.368 1.00 43.45 H new ATOM 0 HD11 ILE A 272 0.257 1.976 11.538 1.00 4.40 H new ATOM 0 HD12 ILE A 272 -1.364 1.294 11.265 1.00 4.40 H new ATOM 0 HD13 ILE A 272 -0.467 0.889 12.748 1.00 4.40 H new ATOM 440 N ILE A 273 -0.044 -4.590 10.381 1.00 70.10 N ATOM 441 CA ILE A 273 -0.360 -5.985 10.638 1.00 52.11 C ATOM 442 C ILE A 273 -1.249 -6.082 11.879 1.00 13.53 C ATOM 443 O ILE A 273 -1.027 -5.377 12.863 1.00 53.24 O ATOM 444 CB ILE A 273 0.921 -6.816 10.733 1.00 52.03 C ATOM 445 CG1 ILE A 273 1.363 -7.302 9.351 1.00 74.12 C ATOM 446 CG2 ILE A 273 0.752 -7.972 11.720 1.00 23.43 C ATOM 447 CD1 ILE A 273 2.261 -6.269 8.668 1.00 60.24 C ATOM 0 H ILE A 273 0.953 -4.375 10.360 1.00 70.10 H new ATOM 0 HA ILE A 273 -0.925 -6.407 9.807 1.00 52.11 H new ATOM 0 HB ILE A 273 1.715 -6.177 11.119 1.00 52.03 H new ATOM 0 HG12 ILE A 273 1.898 -8.247 9.448 1.00 74.12 H new ATOM 0 HG13 ILE A 273 0.487 -7.494 8.732 1.00 74.12 H new ATOM 0 HG21 ILE A 273 1.677 -8.547 11.769 1.00 23.43 H new ATOM 0 HG22 ILE A 273 0.519 -7.576 12.708 1.00 23.43 H new ATOM 0 HG23 ILE A 273 -0.060 -8.619 11.387 1.00 23.43 H new ATOM 0 HD11 ILE A 273 2.561 -6.639 7.688 1.00 60.24 H new ATOM 0 HD12 ILE A 273 1.715 -5.333 8.551 1.00 60.24 H new ATOM 0 HD13 ILE A 273 3.148 -6.098 9.278 1.00 60.24 H new ATOM 459 N PRO A 274 -2.263 -6.983 11.791 1.00 35.31 N ATOM 460 CA PRO A 274 -3.187 -7.181 12.895 1.00 30.32 C ATOM 461 C PRO A 274 -2.530 -7.979 14.024 1.00 42.34 C ATOM 462 O PRO A 274 -2.857 -7.790 15.194 1.00 34.21 O ATOM 463 CB PRO A 274 -4.384 -7.892 12.284 1.00 23.05 C ATOM 464 CG PRO A 274 -3.894 -8.479 10.970 1.00 11.35 C ATOM 465 CD PRO A 274 -2.557 -7.835 10.642 1.00 22.23 C ATOM 0 HA PRO A 274 -3.492 -6.244 13.361 1.00 30.32 H new ATOM 0 HB2 PRO A 274 -4.754 -8.674 12.947 1.00 23.05 H new ATOM 0 HB3 PRO A 274 -5.208 -7.198 12.119 1.00 23.05 H new ATOM 0 HG2 PRO A 274 -3.787 -9.561 11.051 1.00 11.35 H new ATOM 0 HG3 PRO A 274 -4.615 -8.289 10.175 1.00 11.35 H new ATOM 0 HD2 PRO A 274 -1.781 -8.586 10.497 1.00 22.23 H new ATOM 0 HD3 PRO A 274 -2.613 -7.253 9.722 1.00 22.23 H new ATOM 473 N GLY A 275 -1.614 -8.853 13.632 1.00 52.40 N ATOM 474 CA GLY A 275 -0.908 -9.679 14.596 1.00 61.21 C ATOM 475 C GLY A 275 -1.691 -10.958 14.899 1.00 21.23 C ATOM 476 O GLY A 275 -2.549 -11.365 14.117 1.00 22.44 O ATOM 0 H GLY A 275 -1.345 -9.007 12.660 1.00 52.40 H new ATOM 0 HA2 GLY A 275 0.078 -9.935 14.208 1.00 61.21 H new ATOM 0 HA3 GLY A 275 -0.752 -9.117 15.517 1.00 61.21 H new ATOM 480 N ASN A 276 -1.368 -11.556 16.036 1.00 24.35 N ATOM 481 CA ASN A 276 -2.030 -12.781 16.453 1.00 41.32 C ATOM 482 C ASN A 276 -2.227 -13.688 15.237 1.00 53.35 C ATOM 483 O ASN A 276 -3.205 -14.430 15.164 1.00 72.15 O ATOM 484 CB ASN A 276 -3.407 -12.486 17.051 1.00 22.01 C ATOM 485 CG ASN A 276 -4.015 -13.744 17.674 1.00 25.25 C ATOM 486 OD1 ASN A 276 -3.427 -14.813 17.676 1.00 21.43 O ATOM 487 ND2 ASN A 276 -5.221 -13.558 18.202 1.00 51.10 N ATOM 0 H ASN A 276 -0.656 -11.215 16.682 1.00 24.35 H new ATOM 0 HA ASN A 276 -1.406 -13.263 17.205 1.00 41.32 H new ATOM 0 HB2 ASN A 276 -3.319 -11.707 17.808 1.00 22.01 H new ATOM 0 HB3 ASN A 276 -4.070 -12.103 16.275 1.00 22.01 H new ATOM 0 HD21 ASN A 276 -5.710 -14.337 18.643 1.00 51.10 H new ATOM 0 HD22 ASN A 276 -5.657 -12.636 18.166 1.00 51.10 H new ATOM 494 N CYS A 277 -1.283 -13.598 14.312 1.00 43.31 N ATOM 495 CA CYS A 277 -1.340 -14.401 13.102 1.00 14.14 C ATOM 496 C CYS A 277 -0.639 -15.733 13.376 1.00 15.15 C ATOM 497 O CYS A 277 -0.202 -15.989 14.497 1.00 23.01 O ATOM 498 CB CYS A 277 -0.727 -13.669 11.907 1.00 11.52 C ATOM 499 SG CYS A 277 -1.758 -12.224 11.462 1.00 13.33 S ATOM 0 H CYS A 277 -0.474 -12.981 14.376 1.00 43.31 H new ATOM 0 HA CYS A 277 -2.380 -14.587 12.835 1.00 14.14 H new ATOM 0 HB2 CYS A 277 0.285 -13.343 12.149 1.00 11.52 H new ATOM 0 HB3 CYS A 277 -0.649 -14.346 11.056 1.00 11.52 H new ATOM 0 HG CYS A 277 -2.141 -11.614 12.544 1.00 13.33 H new ATOM 505 N THR A 278 -0.555 -16.546 12.334 1.00 62.11 N ATOM 506 CA THR A 278 0.085 -17.845 12.448 1.00 25.42 C ATOM 507 C THR A 278 0.551 -18.333 11.075 1.00 73.32 C ATOM 508 O THR A 278 -0.259 -18.502 10.165 1.00 54.43 O ATOM 509 CB THR A 278 -0.898 -18.799 13.131 1.00 44.53 C ATOM 510 OG1 THR A 278 -1.266 -18.119 14.328 1.00 41.23 O ATOM 511 CG2 THR A 278 -0.224 -20.081 13.623 1.00 61.12 C ATOM 0 H THR A 278 -0.920 -16.330 11.406 1.00 62.11 H new ATOM 0 HA THR A 278 0.985 -17.790 13.061 1.00 25.42 H new ATOM 0 HB THR A 278 -1.699 -19.054 12.436 1.00 44.53 H new ATOM 0 HG1 THR A 278 -0.506 -17.592 14.652 1.00 41.23 H new ATOM 0 HG21 THR A 278 -0.966 -20.722 14.099 1.00 61.12 H new ATOM 0 HG22 THR A 278 0.220 -20.606 12.777 1.00 61.12 H new ATOM 0 HG23 THR A 278 0.554 -19.829 14.343 1.00 61.12 H new ATOM 519 N PHE A 279 1.854 -18.547 10.968 1.00 10.24 N ATOM 520 CA PHE A 279 2.437 -19.012 9.721 1.00 32.14 C ATOM 521 C PHE A 279 1.954 -20.424 9.384 1.00 70.14 C ATOM 522 O PHE A 279 1.271 -21.059 10.186 1.00 25.11 O ATOM 523 CB PHE A 279 3.954 -19.038 9.919 1.00 73.20 C ATOM 524 CG PHE A 279 4.752 -18.780 8.640 1.00 64.13 C ATOM 525 CD1 PHE A 279 4.569 -17.625 7.945 1.00 22.21 C ATOM 526 CD2 PHE A 279 5.645 -19.705 8.197 1.00 24.42 C ATOM 527 CE1 PHE A 279 5.310 -17.386 6.758 1.00 44.32 C ATOM 528 CE2 PHE A 279 6.387 -19.466 7.010 1.00 54.11 C ATOM 529 CZ PHE A 279 6.203 -18.311 6.315 1.00 24.03 C ATOM 0 H PHE A 279 2.523 -18.407 11.725 1.00 10.24 H new ATOM 0 HA PHE A 279 2.145 -18.352 8.904 1.00 32.14 H new ATOM 0 HB2 PHE A 279 4.226 -18.289 10.662 1.00 73.20 H new ATOM 0 HB3 PHE A 279 4.241 -20.008 10.325 1.00 73.20 H new ATOM 0 HD1 PHE A 279 3.860 -16.890 8.296 1.00 22.21 H new ATOM 0 HD2 PHE A 279 5.790 -20.622 8.748 1.00 24.42 H new ATOM 0 HE1 PHE A 279 5.164 -16.469 6.206 1.00 44.32 H new ATOM 0 HE2 PHE A 279 7.097 -20.201 6.659 1.00 54.11 H new ATOM 0 HZ PHE A 279 6.766 -18.129 5.412 1.00 24.03 H new ATOM 539 N GLU A 280 2.327 -20.874 8.195 1.00 64.12 N ATOM 540 CA GLU A 280 1.941 -22.199 7.741 1.00 20.40 C ATOM 541 C GLU A 280 2.925 -22.707 6.685 1.00 52.43 C ATOM 542 O GLU A 280 2.642 -22.648 5.489 1.00 31.41 O ATOM 543 CB GLU A 280 0.509 -22.198 7.201 1.00 24.33 C ATOM 544 CG GLU A 280 0.142 -23.564 6.618 1.00 23.41 C ATOM 545 CD GLU A 280 -1.326 -23.601 6.189 1.00 0.33 C ATOM 546 OE1 GLU A 280 -1.766 -22.743 5.410 1.00 45.45 O ATOM 547 OE2 GLU A 280 -2.018 -24.565 6.695 1.00 11.43 O ATOM 0 H GLU A 280 2.893 -20.344 7.532 1.00 64.12 H new ATOM 0 HA GLU A 280 1.972 -22.877 8.594 1.00 20.40 H new ATOM 0 HB2 GLU A 280 -0.185 -21.942 8.001 1.00 24.33 H new ATOM 0 HB3 GLU A 280 0.407 -21.431 6.433 1.00 24.33 H new ATOM 0 HG2 GLU A 280 0.780 -23.781 5.762 1.00 23.41 H new ATOM 0 HG3 GLU A 280 0.328 -24.341 7.359 1.00 23.41 H new ATOM 555 N PHE A 281 4.060 -23.193 7.164 1.00 2.54 N ATOM 556 CA PHE A 281 5.087 -23.710 6.276 1.00 5.43 C ATOM 557 C PHE A 281 5.212 -25.229 6.408 1.00 52.14 C ATOM 558 O PHE A 281 4.939 -25.788 7.468 1.00 33.34 O ATOM 559 CB PHE A 281 6.409 -23.063 6.697 1.00 71.41 C ATOM 560 CG PHE A 281 7.028 -23.675 7.956 1.00 53.24 C ATOM 561 CD1 PHE A 281 6.555 -23.328 9.183 1.00 44.11 C ATOM 562 CD2 PHE A 281 8.050 -24.565 7.847 1.00 20.11 C ATOM 563 CE1 PHE A 281 7.130 -23.895 10.351 1.00 33.30 C ATOM 564 CE2 PHE A 281 8.624 -25.133 9.015 1.00 4.53 C ATOM 565 CZ PHE A 281 8.152 -24.786 10.243 1.00 41.44 C ATOM 0 H PHE A 281 4.291 -23.240 8.156 1.00 2.54 H new ATOM 0 HA PHE A 281 4.833 -23.482 5.241 1.00 5.43 H new ATOM 0 HB2 PHE A 281 7.121 -23.148 5.876 1.00 71.41 H new ATOM 0 HB3 PHE A 281 6.243 -21.999 6.866 1.00 71.41 H new ATOM 0 HD1 PHE A 281 5.743 -22.622 9.269 1.00 44.11 H new ATOM 0 HD2 PHE A 281 8.425 -24.840 6.872 1.00 20.11 H new ATOM 0 HE1 PHE A 281 6.756 -23.619 11.326 1.00 33.30 H new ATOM 0 HE2 PHE A 281 9.435 -25.841 8.929 1.00 4.53 H new ATOM 0 HZ PHE A 281 8.589 -25.218 11.131 1.00 41.44 H new ATOM 575 N SER A 282 5.624 -25.853 5.314 1.00 24.54 N ATOM 576 CA SER A 282 5.788 -27.297 5.294 1.00 63.11 C ATOM 577 C SER A 282 7.236 -27.655 4.952 1.00 2.54 C ATOM 578 O SER A 282 8.076 -26.771 4.792 1.00 5.45 O ATOM 579 CB SER A 282 4.831 -27.946 4.292 1.00 10.13 C ATOM 580 OG SER A 282 4.745 -27.204 3.079 1.00 71.14 O ATOM 0 H SER A 282 5.849 -25.386 4.436 1.00 24.54 H new ATOM 0 HA SER A 282 5.550 -27.682 6.286 1.00 63.11 H new ATOM 0 HB2 SER A 282 5.167 -28.960 4.074 1.00 10.13 H new ATOM 0 HB3 SER A 282 3.840 -28.028 4.738 1.00 10.13 H new ATOM 0 HG SER A 282 4.126 -27.651 2.465 1.00 71.14 H new ATOM 586 N SER A 283 7.483 -28.952 4.851 1.00 65.22 N ATOM 587 CA SER A 283 8.815 -29.438 4.531 1.00 3.52 C ATOM 588 C SER A 283 8.824 -30.059 3.133 1.00 21.32 C ATOM 589 O SER A 283 9.667 -29.720 2.304 1.00 25.44 O ATOM 590 CB SER A 283 9.294 -30.456 5.568 1.00 51.40 C ATOM 591 OG SER A 283 8.710 -31.740 5.364 1.00 3.33 O ATOM 0 H SER A 283 6.783 -29.682 4.985 1.00 65.22 H new ATOM 0 HA SER A 283 9.501 -28.591 4.549 1.00 3.52 H new ATOM 0 HB2 SER A 283 10.380 -30.540 5.520 1.00 51.40 H new ATOM 0 HB3 SER A 283 9.046 -30.099 6.568 1.00 51.40 H new ATOM 0 HG SER A 283 9.042 -32.362 6.045 1.00 3.33 H new ATOM 660 N VAL A 288 2.154 -30.060 7.723 1.00 55.34 N ATOM 661 CA VAL A 288 2.464 -28.648 7.874 1.00 34.24 C ATOM 662 C VAL A 288 2.385 -28.270 9.355 1.00 42.43 C ATOM 663 O VAL A 288 1.638 -28.882 10.117 1.00 45.51 O ATOM 664 CB VAL A 288 1.535 -27.811 6.993 1.00 14.41 C ATOM 665 CG1 VAL A 288 0.076 -28.235 7.175 1.00 61.40 C ATOM 666 CG2 VAL A 288 1.710 -26.317 7.276 1.00 63.25 C ATOM 0 HA VAL A 288 3.480 -28.441 7.539 1.00 34.24 H new ATOM 0 HB VAL A 288 1.809 -27.990 5.953 1.00 14.41 H new ATOM 0 HG11 VAL A 288 -0.563 -27.624 6.537 1.00 61.40 H new ATOM 0 HG12 VAL A 288 -0.035 -29.284 6.901 1.00 61.40 H new ATOM 0 HG13 VAL A 288 -0.215 -28.099 8.217 1.00 61.40 H new ATOM 0 HG21 VAL A 288 1.038 -25.744 6.637 1.00 63.25 H new ATOM 0 HG22 VAL A 288 1.476 -26.115 8.321 1.00 63.25 H new ATOM 0 HG23 VAL A 288 2.741 -26.026 7.072 1.00 63.25 H new ATOM 676 N PHE A 289 3.166 -27.263 9.717 1.00 4.22 N ATOM 677 CA PHE A 289 3.195 -26.795 11.093 1.00 71.32 C ATOM 678 C PHE A 289 2.833 -25.311 11.175 1.00 34.11 C ATOM 679 O PHE A 289 3.366 -24.496 10.424 1.00 12.31 O ATOM 680 CB PHE A 289 4.625 -26.988 11.601 1.00 30.01 C ATOM 681 CG PHE A 289 4.718 -27.292 13.098 1.00 53.22 C ATOM 682 CD1 PHE A 289 4.730 -26.273 13.999 1.00 62.31 C ATOM 683 CD2 PHE A 289 4.788 -28.580 13.527 1.00 35.50 C ATOM 684 CE1 PHE A 289 4.816 -26.555 15.388 1.00 62.30 C ATOM 685 CE2 PHE A 289 4.874 -28.862 14.916 1.00 35.41 C ATOM 686 CZ PHE A 289 4.886 -27.844 15.817 1.00 0.12 C ATOM 0 H PHE A 289 3.784 -26.758 9.082 1.00 4.22 H new ATOM 0 HA PHE A 289 2.473 -27.351 11.690 1.00 71.32 H new ATOM 0 HB2 PHE A 289 5.090 -27.803 11.046 1.00 30.01 H new ATOM 0 HB3 PHE A 289 5.200 -26.087 11.387 1.00 30.01 H new ATOM 0 HD1 PHE A 289 4.674 -25.250 13.658 1.00 62.31 H new ATOM 0 HD2 PHE A 289 4.778 -29.389 12.811 1.00 35.50 H new ATOM 0 HE1 PHE A 289 4.826 -25.746 16.104 1.00 62.30 H new ATOM 0 HE2 PHE A 289 4.930 -29.885 15.257 1.00 35.41 H new ATOM 0 HZ PHE A 289 4.951 -28.059 16.873 1.00 0.12 H new ATOM 696 N SER A 290 1.929 -25.006 12.094 1.00 15.51 N ATOM 697 CA SER A 290 1.489 -23.634 12.284 1.00 12.34 C ATOM 698 C SER A 290 2.172 -23.031 13.513 1.00 4.32 C ATOM 699 O SER A 290 1.974 -23.502 14.632 1.00 2.20 O ATOM 700 CB SER A 290 -0.032 -23.558 12.433 1.00 71.53 C ATOM 701 OG SER A 290 -0.706 -24.034 11.271 1.00 60.53 O ATOM 0 H SER A 290 1.489 -25.685 12.715 1.00 15.51 H new ATOM 0 HA SER A 290 1.770 -23.060 11.401 1.00 12.34 H new ATOM 0 HB2 SER A 290 -0.341 -24.145 13.298 1.00 71.53 H new ATOM 0 HB3 SER A 290 -0.326 -22.526 12.626 1.00 71.53 H new ATOM 0 HG SER A 290 -1.675 -23.971 11.406 1.00 60.53 H new ATOM 707 N ILE A 291 2.963 -21.997 13.263 1.00 22.53 N ATOM 708 CA ILE A 291 3.677 -21.325 14.335 1.00 24.13 C ATOM 709 C ILE A 291 2.909 -20.067 14.743 1.00 12.43 C ATOM 710 O ILE A 291 2.603 -19.222 13.903 1.00 5.31 O ATOM 711 CB ILE A 291 5.127 -21.055 13.927 1.00 72.13 C ATOM 712 CG1 ILE A 291 6.000 -22.290 14.157 1.00 64.14 C ATOM 713 CG2 ILE A 291 5.678 -19.821 14.644 1.00 21.42 C ATOM 714 CD1 ILE A 291 7.384 -22.108 13.529 1.00 53.23 C ATOM 0 H ILE A 291 3.125 -21.609 12.334 1.00 22.53 H new ATOM 0 HA ILE A 291 3.732 -21.965 15.215 1.00 24.13 H new ATOM 0 HB ILE A 291 5.147 -20.841 12.858 1.00 72.13 H new ATOM 0 HG12 ILE A 291 6.103 -22.473 15.227 1.00 64.14 H new ATOM 0 HG13 ILE A 291 5.515 -23.167 13.729 1.00 64.14 H new ATOM 0 HG21 ILE A 291 6.710 -19.652 14.336 1.00 21.42 H new ATOM 0 HG22 ILE A 291 5.075 -18.951 14.386 1.00 21.42 H new ATOM 0 HG23 ILE A 291 5.642 -19.980 15.722 1.00 21.42 H new ATOM 0 HD11 ILE A 291 7.984 -23.000 13.707 1.00 53.23 H new ATOM 0 HD12 ILE A 291 7.279 -21.950 12.456 1.00 53.23 H new ATOM 0 HD13 ILE A 291 7.876 -21.244 13.976 1.00 53.23 H new ATOM 726 N LYS A 292 2.618 -19.981 16.033 1.00 23.41 N ATOM 727 CA LYS A 292 1.891 -18.840 16.563 1.00 63.32 C ATOM 728 C LYS A 292 2.768 -17.591 16.461 1.00 40.51 C ATOM 729 O LYS A 292 3.834 -17.525 17.070 1.00 4.44 O ATOM 730 CB LYS A 292 1.397 -19.131 17.981 1.00 25.14 C ATOM 731 CG LYS A 292 0.639 -20.459 18.036 1.00 14.55 C ATOM 732 CD LYS A 292 -0.234 -20.643 16.793 1.00 31.14 C ATOM 733 CE LYS A 292 -1.370 -21.632 17.063 1.00 62.32 C ATOM 734 NZ LYS A 292 -2.577 -20.919 17.535 1.00 14.13 N ATOM 0 H LYS A 292 2.873 -20.684 16.727 1.00 23.41 H new ATOM 0 HA LYS A 292 0.995 -18.650 15.972 1.00 63.32 H new ATOM 0 HB2 LYS A 292 2.245 -19.163 18.666 1.00 25.14 H new ATOM 0 HB3 LYS A 292 0.747 -18.323 18.316 1.00 25.14 H new ATOM 0 HG2 LYS A 292 1.348 -21.284 18.113 1.00 14.55 H new ATOM 0 HG3 LYS A 292 0.016 -20.490 18.930 1.00 14.55 H new ATOM 0 HD2 LYS A 292 -0.648 -19.682 16.490 1.00 31.14 H new ATOM 0 HD3 LYS A 292 0.377 -21.002 15.965 1.00 31.14 H new ATOM 0 HE2 LYS A 292 -1.601 -22.187 16.154 1.00 62.32 H new ATOM 0 HE3 LYS A 292 -1.056 -22.361 17.810 1.00 62.32 H new ATOM 0 HZ1 LYS A 292 -3.338 -21.605 17.713 1.00 14.13 H new ATOM 0 HZ2 LYS A 292 -2.357 -20.409 18.414 1.00 14.13 H new ATOM 0 HZ3 LYS A 292 -2.886 -20.241 16.809 1.00 14.13 H new ATOM 747 N MET A 293 2.286 -16.630 15.686 1.00 60.12 N ATOM 748 CA MET A 293 3.013 -15.386 15.496 1.00 35.12 C ATOM 749 C MET A 293 2.762 -14.422 16.658 1.00 23.40 C ATOM 750 O MET A 293 1.708 -14.468 17.291 1.00 44.43 O ATOM 751 CB MET A 293 2.571 -14.732 14.186 1.00 41.43 C ATOM 752 CG MET A 293 3.020 -15.561 12.980 1.00 13.35 C ATOM 753 SD MET A 293 2.217 -14.969 11.500 1.00 63.21 S ATOM 754 CE MET A 293 3.027 -13.388 11.319 1.00 35.51 C ATOM 0 H MET A 293 1.401 -16.688 15.182 1.00 60.12 H new ATOM 0 HA MET A 293 4.079 -15.611 15.459 1.00 35.12 H new ATOM 0 HB2 MET A 293 1.486 -14.627 14.176 1.00 41.43 H new ATOM 0 HB3 MET A 293 2.989 -13.728 14.118 1.00 41.43 H new ATOM 0 HG2 MET A 293 4.102 -15.497 12.867 1.00 13.35 H new ATOM 0 HG3 MET A 293 2.778 -16.612 13.140 1.00 13.35 H new ATOM 0 HE1 MET A 293 2.878 -13.017 10.305 1.00 35.51 H new ATOM 0 HE2 MET A 293 2.604 -12.679 12.031 1.00 35.51 H new ATOM 0 HE3 MET A 293 4.094 -13.502 11.511 1.00 35.51 H new ATOM 764 N GLY A 294 3.749 -13.573 16.903 1.00 20.04 N ATOM 765 CA GLY A 294 3.649 -12.600 17.978 1.00 41.01 C ATOM 766 C GLY A 294 2.275 -11.926 17.981 1.00 25.15 C ATOM 767 O GLY A 294 1.685 -11.707 16.925 1.00 0.41 O ATOM 0 H GLY A 294 4.622 -13.538 16.376 1.00 20.04 H new ATOM 0 HA2 GLY A 294 3.819 -13.092 18.936 1.00 41.01 H new ATOM 0 HA3 GLY A 294 4.428 -11.846 17.864 1.00 41.01 H new ATOM 771 N PRO A 295 1.794 -11.609 19.213 1.00 2.52 N ATOM 772 CA PRO A 295 0.501 -10.964 19.368 1.00 22.22 C ATOM 773 C PRO A 295 0.575 -9.487 18.978 1.00 55.42 C ATOM 774 O PRO A 295 -0.429 -8.895 18.583 1.00 2.41 O ATOM 775 CB PRO A 295 0.129 -11.175 20.827 1.00 73.54 C ATOM 776 CG PRO A 295 1.425 -11.520 21.542 1.00 12.22 C ATOM 777 CD PRO A 295 2.466 -11.854 20.486 1.00 12.42 C ATOM 0 HA PRO A 295 -0.261 -11.385 18.711 1.00 22.22 H new ATOM 0 HB2 PRO A 295 -0.323 -10.277 21.249 1.00 73.54 H new ATOM 0 HB3 PRO A 295 -0.601 -11.978 20.932 1.00 73.54 H new ATOM 0 HG2 PRO A 295 1.758 -10.682 22.154 1.00 12.22 H new ATOM 0 HG3 PRO A 295 1.277 -12.366 22.213 1.00 12.22 H new ATOM 0 HD2 PRO A 295 3.353 -11.229 20.592 1.00 12.42 H new ATOM 0 HD3 PRO A 295 2.795 -12.890 20.567 1.00 12.42 H new ATOM 785 N HIS A 296 1.772 -8.934 19.102 1.00 41.44 N ATOM 786 CA HIS A 296 1.990 -7.537 18.766 1.00 14.54 C ATOM 787 C HIS A 296 1.823 -7.339 17.258 1.00 2.44 C ATOM 788 O HIS A 296 1.567 -8.294 16.528 1.00 64.44 O ATOM 789 CB HIS A 296 3.349 -7.060 19.280 1.00 4.25 C ATOM 790 CG HIS A 296 3.465 -5.560 19.411 1.00 43.22 C ATOM 791 ND1 HIS A 296 2.626 -4.810 20.217 1.00 63.31 N ATOM 792 CD2 HIS A 296 4.330 -4.679 18.831 1.00 50.15 C ATOM 793 CE1 HIS A 296 2.979 -3.537 20.118 1.00 74.03 C ATOM 794 NE2 HIS A 296 4.034 -3.458 19.258 1.00 43.43 N ATOM 0 H HIS A 296 2.602 -9.428 19.431 1.00 41.44 H new ATOM 0 HA HIS A 296 1.242 -6.919 19.263 1.00 14.54 H new ATOM 0 HB2 HIS A 296 3.538 -7.515 20.252 1.00 4.25 H new ATOM 0 HB3 HIS A 296 4.127 -7.417 18.605 1.00 4.25 H new ATOM 0 HD2 HIS A 296 5.122 -4.932 18.141 1.00 50.15 H new ATOM 0 HE1 HIS A 296 2.513 -2.707 20.629 1.00 74.03 H new ATOM 0 HE2 HIS A 296 4.516 -2.601 18.987 1.00 43.43 H new ATOM 802 N GLU A 297 1.975 -6.092 16.837 1.00 1.44 N ATOM 803 CA GLU A 297 1.845 -5.756 15.430 1.00 51.14 C ATOM 804 C GLU A 297 3.192 -5.299 14.866 1.00 11.53 C ATOM 805 O GLU A 297 3.857 -4.446 15.453 1.00 53.13 O ATOM 806 CB GLU A 297 0.771 -4.687 15.218 1.00 73.31 C ATOM 807 CG GLU A 297 -0.626 -5.255 15.477 1.00 72.25 C ATOM 808 CD GLU A 297 -1.709 -4.241 15.102 1.00 5.41 C ATOM 809 OE1 GLU A 297 -2.766 -4.626 14.581 1.00 1.23 O ATOM 810 OE2 GLU A 297 -1.421 -3.012 15.371 1.00 20.25 O ATOM 0 H GLU A 297 2.187 -5.302 17.446 1.00 1.44 H new ATOM 0 HA GLU A 297 1.532 -6.650 14.891 1.00 51.14 H new ATOM 0 HB2 GLU A 297 0.954 -3.845 15.885 1.00 73.31 H new ATOM 0 HB3 GLU A 297 0.829 -4.305 14.199 1.00 73.31 H new ATOM 0 HG2 GLU A 297 -0.763 -6.169 14.900 1.00 72.25 H new ATOM 0 HG3 GLU A 297 -0.724 -5.524 16.529 1.00 72.25 H new ATOM 818 N ILE A 298 3.554 -5.886 13.735 1.00 2.32 N ATOM 819 CA ILE A 298 4.810 -5.549 13.086 1.00 31.11 C ATOM 820 C ILE A 298 4.991 -4.030 13.092 1.00 53.15 C ATOM 821 O ILE A 298 5.936 -3.516 13.688 1.00 54.31 O ATOM 822 CB ILE A 298 4.875 -6.171 11.690 1.00 71.22 C ATOM 823 CG1 ILE A 298 5.292 -7.642 11.763 1.00 15.44 C ATOM 824 CG2 ILE A 298 5.791 -5.361 10.771 1.00 64.13 C ATOM 825 CD1 ILE A 298 4.445 -8.499 10.821 1.00 71.32 C ATOM 0 H ILE A 298 3.000 -6.593 13.251 1.00 2.32 H new ATOM 0 HA ILE A 298 5.650 -5.972 13.638 1.00 31.11 H new ATOM 0 HB ILE A 298 3.875 -6.141 11.256 1.00 71.22 H new ATOM 0 HG12 ILE A 298 6.345 -7.739 11.500 1.00 15.44 H new ATOM 0 HG13 ILE A 298 5.184 -8.004 12.785 1.00 15.44 H new ATOM 0 HG21 ILE A 298 5.819 -5.825 9.785 1.00 64.13 H new ATOM 0 HG22 ILE A 298 5.410 -4.344 10.683 1.00 64.13 H new ATOM 0 HG23 ILE A 298 6.797 -5.337 11.190 1.00 64.13 H new ATOM 0 HD11 ILE A 298 4.762 -9.540 10.892 1.00 71.32 H new ATOM 0 HD12 ILE A 298 3.395 -8.419 11.102 1.00 71.32 H new ATOM 0 HD13 ILE A 298 4.574 -8.150 9.797 1.00 71.32 H new ATOM 837 N GLY A 299 4.070 -3.354 12.420 1.00 33.03 N ATOM 838 CA GLY A 299 4.116 -1.904 12.340 1.00 15.13 C ATOM 839 C GLY A 299 4.447 -1.443 10.919 1.00 34.42 C ATOM 840 O GLY A 299 4.367 -2.227 9.974 1.00 32.15 O ATOM 0 H GLY A 299 3.288 -3.784 11.926 1.00 33.03 H new ATOM 0 HA2 GLY A 299 3.156 -1.489 12.646 1.00 15.13 H new ATOM 0 HA3 GLY A 299 4.865 -1.522 13.034 1.00 15.13 H new ATOM 844 N ILE A 300 4.811 -0.174 10.813 1.00 61.14 N ATOM 845 CA ILE A 300 5.155 0.400 9.523 1.00 55.12 C ATOM 846 C ILE A 300 6.395 -0.305 8.969 1.00 13.25 C ATOM 847 O ILE A 300 6.281 -1.230 8.166 1.00 10.54 O ATOM 848 CB ILE A 300 5.309 1.918 9.636 1.00 2.11 C ATOM 849 CG1 ILE A 300 3.947 2.613 9.585 1.00 2.31 C ATOM 850 CG2 ILE A 300 6.266 2.453 8.569 1.00 62.12 C ATOM 851 CD1 ILE A 300 4.104 4.133 9.672 1.00 34.23 C ATOM 0 H ILE A 300 4.875 0.473 11.599 1.00 61.14 H new ATOM 0 HA ILE A 300 4.350 0.237 8.807 1.00 55.12 H new ATOM 0 HB ILE A 300 5.750 2.145 10.607 1.00 2.11 H new ATOM 0 HG12 ILE A 300 3.434 2.349 8.660 1.00 2.31 H new ATOM 0 HG13 ILE A 300 3.324 2.260 10.407 1.00 2.31 H new ATOM 0 HG21 ILE A 300 6.358 3.534 8.672 1.00 62.12 H new ATOM 0 HG22 ILE A 300 7.246 1.992 8.695 1.00 62.12 H new ATOM 0 HG23 ILE A 300 5.877 2.214 7.579 1.00 62.12 H new ATOM 0 HD11 ILE A 300 3.121 4.603 9.634 1.00 34.23 H new ATOM 0 HD12 ILE A 300 4.595 4.395 10.609 1.00 34.23 H new ATOM 0 HD13 ILE A 300 4.707 4.485 8.835 1.00 34.23 H new ATOM 863 N LYS A 301 7.551 0.159 9.421 1.00 14.11 N ATOM 864 CA LYS A 301 8.811 -0.415 8.981 1.00 33.43 C ATOM 865 C LYS A 301 9.191 -1.571 9.909 1.00 74.32 C ATOM 866 O LYS A 301 10.331 -2.031 9.898 1.00 23.41 O ATOM 867 CB LYS A 301 9.886 0.668 8.877 1.00 50.13 C ATOM 868 CG LYS A 301 10.653 0.808 10.193 1.00 22.01 C ATOM 869 CD LYS A 301 9.696 1.048 11.363 1.00 63.14 C ATOM 870 CE LYS A 301 9.051 2.432 11.268 1.00 42.00 C ATOM 871 NZ LYS A 301 7.820 2.487 12.087 1.00 31.03 N ATOM 0 H LYS A 301 7.641 0.926 10.087 1.00 14.11 H new ATOM 0 HA LYS A 301 8.711 -0.830 7.978 1.00 33.43 H new ATOM 0 HB2 LYS A 301 10.579 0.421 8.073 1.00 50.13 H new ATOM 0 HB3 LYS A 301 9.424 1.621 8.618 1.00 50.13 H new ATOM 0 HG2 LYS A 301 11.237 -0.094 10.375 1.00 22.01 H new ATOM 0 HG3 LYS A 301 11.359 1.635 10.120 1.00 22.01 H new ATOM 0 HD2 LYS A 301 8.921 0.281 11.367 1.00 63.14 H new ATOM 0 HD3 LYS A 301 10.238 0.959 12.305 1.00 63.14 H new ATOM 0 HE2 LYS A 301 9.755 3.192 11.607 1.00 42.00 H new ATOM 0 HE3 LYS A 301 8.814 2.659 10.229 1.00 42.00 H new ATOM 0 HZ1 LYS A 301 7.215 3.264 11.753 1.00 31.03 H new ATOM 0 HZ2 LYS A 301 7.306 1.587 12.002 1.00 31.03 H new ATOM 0 HZ3 LYS A 301 8.073 2.649 13.083 1.00 31.03 H new ATOM 884 N GLY A 302 8.213 -2.007 10.689 1.00 32.53 N ATOM 885 CA GLY A 302 8.430 -3.101 11.621 1.00 3.12 C ATOM 886 C GLY A 302 8.802 -4.387 10.880 1.00 31.13 C ATOM 887 O GLY A 302 8.855 -4.407 9.652 1.00 41.44 O ATOM 0 H GLY A 302 7.268 -1.623 10.695 1.00 32.53 H new ATOM 0 HA2 GLY A 302 9.224 -2.837 12.319 1.00 3.12 H new ATOM 0 HA3 GLY A 302 7.528 -3.265 12.211 1.00 3.12 H new ATOM 891 N GLN A 303 9.049 -5.430 11.659 1.00 64.11 N ATOM 892 CA GLN A 303 9.415 -6.717 11.092 1.00 75.20 C ATOM 893 C GLN A 303 8.755 -7.851 11.880 1.00 54.31 C ATOM 894 O GLN A 303 8.079 -7.606 12.879 1.00 65.05 O ATOM 895 CB GLN A 303 10.934 -6.888 11.054 1.00 64.40 C ATOM 896 CG GLN A 303 11.476 -7.286 12.429 1.00 51.43 C ATOM 897 CD GLN A 303 13.005 -7.326 12.425 1.00 64.24 C ATOM 898 OE1 GLN A 303 13.627 -8.311 12.789 1.00 70.04 O ATOM 899 NE2 GLN A 303 13.575 -6.204 11.994 1.00 63.43 N ATOM 0 H GLN A 303 9.003 -5.410 12.678 1.00 64.11 H new ATOM 0 HA GLN A 303 9.053 -6.755 10.065 1.00 75.20 H new ATOM 0 HB2 GLN A 303 11.200 -7.649 10.320 1.00 64.40 H new ATOM 0 HB3 GLN A 303 11.400 -5.957 10.731 1.00 64.40 H new ATOM 0 HG2 GLN A 303 11.129 -6.576 13.180 1.00 51.43 H new ATOM 0 HG3 GLN A 303 11.084 -8.264 12.709 1.00 51.43 H new ATOM 0 HE21 GLN A 303 12.995 -5.416 11.704 1.00 63.43 H new ATOM 0 HE22 GLN A 303 14.592 -6.131 11.954 1.00 63.43 H new ATOM 908 N LYS A 304 8.973 -9.067 11.401 1.00 0.41 N ATOM 909 CA LYS A 304 8.408 -10.238 12.048 1.00 31.42 C ATOM 910 C LYS A 304 9.446 -11.362 12.055 1.00 71.55 C ATOM 911 O LYS A 304 10.231 -11.493 11.117 1.00 51.34 O ATOM 912 CB LYS A 304 7.083 -10.628 11.389 1.00 64.10 C ATOM 913 CG LYS A 304 6.429 -11.800 12.124 1.00 50.21 C ATOM 914 CD LYS A 304 6.059 -11.410 13.556 1.00 35.44 C ATOM 915 CE LYS A 304 4.853 -12.214 14.049 1.00 40.25 C ATOM 916 NZ LYS A 304 4.270 -11.587 15.256 1.00 44.20 N ATOM 0 H LYS A 304 9.533 -9.266 10.572 1.00 0.41 H new ATOM 0 HA LYS A 304 8.167 -10.019 13.088 1.00 31.42 H new ATOM 0 HB2 LYS A 304 6.408 -9.772 11.388 1.00 64.10 H new ATOM 0 HB3 LYS A 304 7.257 -10.899 10.347 1.00 64.10 H new ATOM 0 HG2 LYS A 304 5.535 -12.118 11.587 1.00 50.21 H new ATOM 0 HG3 LYS A 304 7.111 -12.650 12.139 1.00 50.21 H new ATOM 0 HD2 LYS A 304 6.910 -11.583 14.215 1.00 35.44 H new ATOM 0 HD3 LYS A 304 5.833 -10.345 13.600 1.00 35.44 H new ATOM 0 HE2 LYS A 304 4.101 -12.271 13.262 1.00 40.25 H new ATOM 0 HE3 LYS A 304 5.157 -13.236 14.274 1.00 40.25 H new ATOM 0 HZ1 LYS A 304 3.345 -12.017 15.459 1.00 44.20 H new ATOM 0 HZ2 LYS A 304 4.906 -11.735 16.066 1.00 44.20 H new ATOM 0 HZ3 LYS A 304 4.149 -10.567 15.093 1.00 44.20 H new ATOM 929 N GLU A 305 9.416 -12.146 13.123 1.00 62.05 N ATOM 930 CA GLU A 305 10.345 -13.255 13.263 1.00 13.23 C ATOM 931 C GLU A 305 9.586 -14.583 13.282 1.00 61.31 C ATOM 932 O GLU A 305 8.637 -14.750 14.046 1.00 11.44 O ATOM 933 CB GLU A 305 11.202 -13.096 14.520 1.00 3.52 C ATOM 934 CG GLU A 305 12.491 -12.330 14.212 1.00 74.14 C ATOM 935 CD GLU A 305 12.938 -11.501 15.417 1.00 30.03 C ATOM 936 OE1 GLU A 305 14.145 -11.309 15.624 1.00 45.54 O ATOM 937 OE2 GLU A 305 11.980 -11.049 16.153 1.00 2.45 O ATOM 0 H GLU A 305 8.763 -12.035 13.899 1.00 62.05 H new ATOM 0 HA GLU A 305 11.015 -13.254 12.403 1.00 13.23 H new ATOM 0 HB2 GLU A 305 10.635 -12.568 15.286 1.00 3.52 H new ATOM 0 HB3 GLU A 305 11.446 -14.078 14.925 1.00 3.52 H new ATOM 0 HG2 GLU A 305 13.278 -13.032 13.937 1.00 74.14 H new ATOM 0 HG3 GLU A 305 12.333 -11.676 13.355 1.00 74.14 H new ATOM 945 N LEU A 306 10.033 -15.495 12.431 1.00 21.42 N ATOM 946 CA LEU A 306 9.408 -16.804 12.340 1.00 22.13 C ATOM 947 C LEU A 306 10.491 -17.885 12.368 1.00 42.51 C ATOM 948 O LEU A 306 10.583 -18.700 11.451 1.00 4.43 O ATOM 949 CB LEU A 306 8.496 -16.878 11.114 1.00 64.40 C ATOM 950 CG LEU A 306 7.031 -16.503 11.344 1.00 41.00 C ATOM 951 CD1 LEU A 306 6.302 -16.298 10.014 1.00 24.44 C ATOM 952 CD2 LEU A 306 6.332 -17.538 12.227 1.00 30.24 C ATOM 0 H LEU A 306 10.820 -15.353 11.798 1.00 21.42 H new ATOM 0 HA LEU A 306 8.762 -16.978 13.200 1.00 22.13 H new ATOM 0 HB2 LEU A 306 8.902 -16.222 10.344 1.00 64.40 H new ATOM 0 HB3 LEU A 306 8.533 -17.893 10.719 1.00 64.40 H new ATOM 0 HG LEU A 306 7.002 -15.553 11.877 1.00 41.00 H new ATOM 0 HD11 LEU A 306 5.262 -16.032 10.206 1.00 24.44 H new ATOM 0 HD12 LEU A 306 6.784 -15.496 9.455 1.00 24.44 H new ATOM 0 HD13 LEU A 306 6.340 -17.219 9.433 1.00 24.44 H new ATOM 0 HD21 LEU A 306 5.292 -17.247 12.375 1.00 30.24 H new ATOM 0 HD22 LEU A 306 6.371 -18.514 11.744 1.00 30.24 H new ATOM 0 HD23 LEU A 306 6.835 -17.591 13.193 1.00 30.24 H new ATOM 964 N TRP A 307 11.284 -17.856 13.429 1.00 13.03 N ATOM 965 CA TRP A 307 12.357 -18.823 13.588 1.00 13.23 C ATOM 966 C TRP A 307 11.726 -20.183 13.892 1.00 30.30 C ATOM 967 O TRP A 307 10.967 -20.320 14.850 1.00 1.34 O ATOM 968 CB TRP A 307 13.348 -18.370 14.662 1.00 33.23 C ATOM 969 CG TRP A 307 12.887 -18.654 16.093 1.00 10.35 C ATOM 970 CD1 TRP A 307 13.045 -19.779 16.803 1.00 33.33 C ATOM 971 CD2 TRP A 307 12.182 -17.745 16.966 1.00 63.22 C ATOM 972 NE1 TRP A 307 12.495 -19.663 18.064 1.00 24.41 N ATOM 973 CE2 TRP A 307 11.954 -18.387 18.166 1.00 64.01 C ATOM 974 CE3 TRP A 307 11.752 -16.425 16.748 1.00 52.41 C ATOM 975 CZ2 TRP A 307 11.289 -17.787 19.242 1.00 63.20 C ATOM 976 CZ3 TRP A 307 11.089 -15.839 17.833 1.00 35.10 C ATOM 977 CH2 TRP A 307 10.851 -16.472 19.048 1.00 42.23 C ATOM 0 H TRP A 307 11.205 -17.178 14.187 1.00 13.03 H new ATOM 0 HA TRP A 307 12.940 -18.907 12.671 1.00 13.23 H new ATOM 0 HB2 TRP A 307 14.303 -18.867 14.493 1.00 33.23 H new ATOM 0 HB3 TRP A 307 13.522 -17.300 14.553 1.00 33.23 H new ATOM 0 HD1 TRP A 307 13.540 -20.665 16.435 1.00 33.33 H new ATOM 0 HE1 TRP A 307 12.487 -20.382 18.788 1.00 24.41 H new ATOM 0 HE3 TRP A 307 11.920 -15.904 15.817 1.00 52.41 H new ATOM 0 HZ2 TRP A 307 11.123 -18.311 20.172 1.00 63.20 H new ATOM 0 HZ3 TRP A 307 10.738 -14.824 17.718 1.00 35.10 H new ATOM 0 HH2 TRP A 307 10.331 -15.951 19.838 1.00 42.23 H new ATOM 988 N PHE A 308 12.063 -21.156 13.058 1.00 44.33 N ATOM 989 CA PHE A 308 11.540 -22.501 13.225 1.00 53.31 C ATOM 990 C PHE A 308 12.639 -23.465 13.675 1.00 70.23 C ATOM 991 O PHE A 308 13.717 -23.036 14.084 1.00 33.31 O ATOM 992 CB PHE A 308 11.012 -22.948 11.860 1.00 21.03 C ATOM 993 CG PHE A 308 10.013 -21.976 11.230 1.00 0.51 C ATOM 994 CD1 PHE A 308 9.402 -21.035 11.999 1.00 1.12 C ATOM 995 CD2 PHE A 308 9.736 -22.052 9.901 1.00 51.22 C ATOM 996 CE1 PHE A 308 8.475 -20.132 11.414 1.00 30.23 C ATOM 997 CE2 PHE A 308 8.809 -21.149 9.316 1.00 72.21 C ATOM 998 CZ PHE A 308 8.198 -20.208 10.085 1.00 71.50 C ATOM 0 H PHE A 308 12.692 -21.039 12.264 1.00 44.33 H new ATOM 0 HA PHE A 308 10.758 -22.505 13.985 1.00 53.31 H new ATOM 0 HB2 PHE A 308 11.855 -23.078 11.181 1.00 21.03 H new ATOM 0 HB3 PHE A 308 10.536 -23.923 11.967 1.00 21.03 H new ATOM 0 HD1 PHE A 308 9.622 -20.975 13.055 1.00 1.12 H new ATOM 0 HD2 PHE A 308 10.221 -22.799 9.290 1.00 51.22 H new ATOM 0 HE1 PHE A 308 7.990 -19.385 12.025 1.00 30.23 H new ATOM 0 HE2 PHE A 308 8.589 -21.209 8.260 1.00 72.21 H new ATOM 0 HZ PHE A 308 7.493 -19.521 9.640 1.00 71.50 H new ATOM 1008 N PHE A 309 12.328 -24.750 13.583 1.00 4.14 N ATOM 1009 CA PHE A 309 13.276 -25.779 13.976 1.00 45.22 C ATOM 1010 C PHE A 309 12.764 -27.170 13.597 1.00 10.11 C ATOM 1011 O PHE A 309 11.569 -27.355 13.372 1.00 30.25 O ATOM 1012 CB PHE A 309 13.420 -25.698 15.497 1.00 42.12 C ATOM 1013 CG PHE A 309 12.148 -25.249 16.219 1.00 21.20 C ATOM 1014 CD1 PHE A 309 11.908 -23.925 16.414 1.00 54.15 C ATOM 1015 CD2 PHE A 309 11.258 -26.175 16.666 1.00 12.15 C ATOM 1016 CE1 PHE A 309 10.727 -23.509 17.084 1.00 50.53 C ATOM 1017 CE2 PHE A 309 10.077 -25.759 17.337 1.00 42.53 C ATOM 1018 CZ PHE A 309 9.837 -24.434 17.531 1.00 33.21 C ATOM 0 H PHE A 309 11.433 -25.102 13.242 1.00 4.14 H new ATOM 0 HA PHE A 309 14.228 -25.621 13.469 1.00 45.22 H new ATOM 0 HB2 PHE A 309 13.715 -26.676 15.876 1.00 42.12 H new ATOM 0 HB3 PHE A 309 14.227 -25.006 15.739 1.00 42.12 H new ATOM 0 HD1 PHE A 309 12.615 -23.190 16.059 1.00 54.15 H new ATOM 0 HD2 PHE A 309 11.449 -27.227 16.511 1.00 12.15 H new ATOM 0 HE1 PHE A 309 10.536 -22.457 17.238 1.00 50.53 H new ATOM 0 HE2 PHE A 309 9.370 -26.494 17.693 1.00 42.53 H new ATOM 0 HZ PHE A 309 8.939 -24.117 18.040 1.00 33.21 H new ATOM 1028 N PRO A 310 13.718 -28.137 13.536 1.00 22.15 N ATOM 1029 CA PRO A 310 15.111 -27.833 13.817 1.00 11.03 C ATOM 1030 C PRO A 310 15.753 -27.078 12.652 1.00 41.22 C ATOM 1031 O PRO A 310 16.584 -26.195 12.862 1.00 70.42 O ATOM 1032 CB PRO A 310 15.762 -29.181 14.083 1.00 40.52 C ATOM 1033 CG PRO A 310 14.826 -30.220 13.488 1.00 30.11 C ATOM 1034 CD PRO A 310 13.497 -29.541 13.200 1.00 3.52 C ATOM 0 HA PRO A 310 15.233 -27.171 14.674 1.00 11.03 H new ATOM 0 HB2 PRO A 310 16.749 -29.236 13.624 1.00 40.52 H new ATOM 0 HB3 PRO A 310 15.899 -29.345 15.152 1.00 40.52 H new ATOM 0 HG2 PRO A 310 15.249 -30.635 12.573 1.00 30.11 H new ATOM 0 HG3 PRO A 310 14.688 -31.050 14.180 1.00 30.11 H new ATOM 0 HD2 PRO A 310 13.211 -29.658 12.155 1.00 3.52 H new ATOM 0 HD3 PRO A 310 12.695 -29.970 13.800 1.00 3.52 H new ATOM 1042 N SER A 311 15.344 -27.452 11.449 1.00 74.03 N ATOM 1043 CA SER A 311 15.868 -26.821 10.250 1.00 64.04 C ATOM 1044 C SER A 311 15.430 -27.605 9.011 1.00 23.20 C ATOM 1045 O SER A 311 15.584 -28.824 8.957 1.00 31.44 O ATOM 1046 CB SER A 311 17.394 -26.721 10.303 1.00 62.45 C ATOM 1047 OG SER A 311 17.989 -27.908 10.822 1.00 11.43 O ATOM 0 H SER A 311 14.655 -28.185 11.279 1.00 74.03 H new ATOM 0 HA SER A 311 15.466 -25.810 10.192 1.00 64.04 H new ATOM 0 HB2 SER A 311 17.780 -26.530 9.302 1.00 62.45 H new ATOM 0 HB3 SER A 311 17.680 -25.871 10.922 1.00 62.45 H new ATOM 0 HG SER A 311 18.963 -27.805 10.838 1.00 11.43 H new ATOM 1053 N LEU A 312 14.893 -26.873 8.046 1.00 63.30 N ATOM 1054 CA LEU A 312 14.432 -27.485 6.811 1.00 11.04 C ATOM 1055 C LEU A 312 15.335 -27.042 5.659 1.00 44.21 C ATOM 1056 O LEU A 312 16.010 -26.018 5.753 1.00 51.42 O ATOM 1057 CB LEU A 312 12.950 -27.180 6.583 1.00 0.25 C ATOM 1058 CG LEU A 312 11.978 -27.770 7.608 1.00 45.33 C ATOM 1059 CD1 LEU A 312 11.809 -26.833 8.806 1.00 64.43 C ATOM 1060 CD2 LEU A 312 10.638 -28.115 6.956 1.00 12.22 C ATOM 0 H LEU A 312 14.767 -25.862 8.094 1.00 63.30 H new ATOM 0 HA LEU A 312 14.505 -28.571 6.874 1.00 11.04 H new ATOM 0 HB2 LEU A 312 12.820 -26.098 6.570 1.00 0.25 H new ATOM 0 HB3 LEU A 312 12.672 -27.547 5.595 1.00 0.25 H new ATOM 0 HG LEU A 312 12.402 -28.701 7.985 1.00 45.33 H new ATOM 0 HD11 LEU A 312 11.114 -27.276 9.519 1.00 64.43 H new ATOM 0 HD12 LEU A 312 12.775 -26.681 9.288 1.00 64.43 H new ATOM 0 HD13 LEU A 312 11.418 -25.874 8.466 1.00 64.43 H new ATOM 0 HD21 LEU A 312 9.965 -28.532 7.705 1.00 12.22 H new ATOM 0 HD22 LEU A 312 10.196 -27.213 6.534 1.00 12.22 H new ATOM 0 HD23 LEU A 312 10.797 -28.846 6.163 1.00 12.22 H new ATOM 1072 N PRO A 313 15.319 -27.856 4.570 1.00 61.31 N ATOM 1073 CA PRO A 313 16.129 -27.559 3.401 1.00 55.44 C ATOM 1074 C PRO A 313 15.523 -26.409 2.593 1.00 42.22 C ATOM 1075 O PRO A 313 14.305 -26.242 2.561 1.00 50.03 O ATOM 1076 CB PRO A 313 16.191 -28.863 2.623 1.00 55.03 C ATOM 1077 CG PRO A 313 15.039 -29.711 3.138 1.00 55.54 C ATOM 1078 CD PRO A 313 14.533 -29.078 4.423 1.00 15.54 C ATOM 0 HA PRO A 313 17.131 -27.217 3.659 1.00 55.44 H new ATOM 0 HB2 PRO A 313 16.096 -28.684 1.552 1.00 55.03 H new ATOM 0 HB3 PRO A 313 17.146 -29.365 2.778 1.00 55.03 H new ATOM 0 HG2 PRO A 313 14.241 -29.761 2.397 1.00 55.54 H new ATOM 0 HG3 PRO A 313 15.369 -30.734 3.320 1.00 55.54 H new ATOM 0 HD2 PRO A 313 13.467 -28.858 4.363 1.00 15.54 H new ATOM 0 HD3 PRO A 313 14.674 -29.744 5.274 1.00 15.54 H new ATOM 1086 N THR A 314 16.402 -25.646 1.960 1.00 1.41 N ATOM 1087 CA THR A 314 15.970 -24.516 1.154 1.00 34.43 C ATOM 1088 C THR A 314 16.547 -24.618 -0.259 1.00 54.30 C ATOM 1089 O THR A 314 17.482 -25.379 -0.498 1.00 65.13 O ATOM 1090 CB THR A 314 16.372 -23.233 1.884 1.00 33.32 C ATOM 1091 OG1 THR A 314 17.446 -23.636 2.729 1.00 65.45 O ATOM 1092 CG2 THR A 314 15.294 -22.751 2.857 1.00 0.04 C ATOM 0 H THR A 314 17.412 -25.788 1.989 1.00 1.41 H new ATOM 0 HA THR A 314 14.887 -24.510 1.029 1.00 34.43 H new ATOM 0 HB THR A 314 16.579 -22.450 1.154 1.00 33.32 H new ATOM 0 HG1 THR A 314 17.110 -24.250 3.415 1.00 65.45 H new ATOM 0 HG21 THR A 314 15.630 -21.838 3.349 1.00 0.04 H new ATOM 0 HG22 THR A 314 14.373 -22.551 2.310 1.00 0.04 H new ATOM 0 HG23 THR A 314 15.111 -23.520 3.607 1.00 0.04 H new ATOM 1100 N PRO A 315 15.949 -23.818 -1.183 1.00 34.35 N ATOM 1101 CA PRO A 315 14.846 -22.946 -0.816 1.00 30.04 C ATOM 1102 C PRO A 315 13.556 -23.745 -0.621 1.00 72.22 C ATOM 1103 O PRO A 315 13.570 -24.974 -0.667 1.00 31.34 O ATOM 1104 CB PRO A 315 14.753 -21.933 -1.945 1.00 71.21 C ATOM 1105 CG PRO A 315 15.495 -22.550 -3.120 1.00 11.31 C ATOM 1106 CD PRO A 315 16.305 -23.724 -2.595 1.00 52.12 C ATOM 0 HA PRO A 315 15.006 -22.445 0.139 1.00 30.04 H new ATOM 0 HB2 PRO A 315 13.714 -21.730 -2.203 1.00 71.21 H new ATOM 0 HB3 PRO A 315 15.201 -20.983 -1.655 1.00 71.21 H new ATOM 0 HG2 PRO A 315 14.792 -22.882 -3.884 1.00 11.31 H new ATOM 0 HG3 PRO A 315 16.149 -21.814 -3.588 1.00 11.31 H new ATOM 0 HD2 PRO A 315 16.060 -24.643 -3.127 1.00 52.12 H new ATOM 0 HD3 PRO A 315 17.374 -23.556 -2.723 1.00 52.12 H new ATOM 1114 N LEU A 316 12.471 -23.014 -0.409 1.00 22.52 N ATOM 1115 CA LEU A 316 11.175 -23.640 -0.207 1.00 42.24 C ATOM 1116 C LEU A 316 10.307 -23.414 -1.447 1.00 32.13 C ATOM 1117 O LEU A 316 9.227 -22.833 -1.355 1.00 13.33 O ATOM 1118 CB LEU A 316 10.536 -23.142 1.090 1.00 11.14 C ATOM 1119 CG LEU A 316 11.275 -23.499 2.382 1.00 54.01 C ATOM 1120 CD1 LEU A 316 11.335 -22.299 3.329 1.00 42.34 C ATOM 1121 CD2 LEU A 316 10.649 -24.725 3.050 1.00 23.02 C ATOM 0 H LEU A 316 12.463 -21.995 -0.373 1.00 22.52 H new ATOM 0 HA LEU A 316 11.286 -24.718 -0.086 1.00 42.24 H new ATOM 0 HB2 LEU A 316 10.446 -22.057 1.034 1.00 11.14 H new ATOM 0 HB3 LEU A 316 9.524 -23.543 1.151 1.00 11.14 H new ATOM 0 HG LEU A 316 12.302 -23.760 2.127 1.00 54.01 H new ATOM 0 HD11 LEU A 316 11.865 -22.580 4.239 1.00 42.34 H new ATOM 0 HD12 LEU A 316 11.860 -21.477 2.842 1.00 42.34 H new ATOM 0 HD13 LEU A 316 10.323 -21.984 3.582 1.00 42.34 H new ATOM 0 HD21 LEU A 316 11.193 -24.958 3.966 1.00 23.02 H new ATOM 0 HD22 LEU A 316 9.606 -24.516 3.290 1.00 23.02 H new ATOM 0 HD23 LEU A 316 10.701 -25.576 2.371 1.00 23.02 H new ATOM 1133 N SER A 317 10.811 -23.886 -2.577 1.00 43.34 N ATOM 1134 CA SER A 317 10.095 -23.743 -3.834 1.00 1.34 C ATOM 1135 C SER A 317 9.036 -24.839 -3.960 1.00 33.42 C ATOM 1136 O SER A 317 9.317 -26.010 -3.710 1.00 34.54 O ATOM 1137 CB SER A 317 11.055 -23.793 -5.024 1.00 3.44 C ATOM 1138 OG SER A 317 11.027 -25.058 -5.679 1.00 44.43 O ATOM 0 H SER A 317 11.707 -24.368 -2.649 1.00 43.34 H new ATOM 0 HA SER A 317 9.604 -22.770 -3.839 1.00 1.34 H new ATOM 0 HB2 SER A 317 10.792 -23.010 -5.735 1.00 3.44 H new ATOM 0 HB3 SER A 317 12.068 -23.584 -4.681 1.00 3.44 H new ATOM 0 HG SER A 317 11.652 -25.049 -6.434 1.00 44.43 H new ATOM 1144 N ASN A 318 7.840 -24.421 -4.348 1.00 1.21 N ATOM 1145 CA ASN A 318 6.737 -25.353 -4.510 1.00 43.24 C ATOM 1146 C ASN A 318 6.209 -25.756 -3.132 1.00 73.04 C ATOM 1147 O ASN A 318 5.643 -26.836 -2.972 1.00 72.44 O ATOM 1148 CB ASN A 318 7.191 -26.623 -5.233 1.00 3.23 C ATOM 1149 CG ASN A 318 6.094 -27.148 -6.161 1.00 42.51 C ATOM 1150 OD1 ASN A 318 4.914 -26.901 -5.972 1.00 24.44 O ATOM 1151 ND2 ASN A 318 6.547 -27.883 -7.173 1.00 4.44 N ATOM 0 H ASN A 318 7.611 -23.449 -4.555 1.00 1.21 H new ATOM 0 HA ASN A 318 5.963 -24.861 -5.098 1.00 43.24 H new ATOM 0 HB2 ASN A 318 8.092 -26.415 -5.810 1.00 3.23 H new ATOM 0 HB3 ASN A 318 7.451 -27.389 -4.502 1.00 3.23 H new ATOM 0 HD21 ASN A 318 5.893 -28.278 -7.849 1.00 4.44 H new ATOM 0 HD22 ASN A 318 7.548 -28.051 -7.273 1.00 4.44 H new ATOM 1158 N TYR A 319 6.412 -24.866 -2.172 1.00 41.03 N ATOM 1159 CA TYR A 319 5.963 -25.116 -0.813 1.00 41.51 C ATOM 1160 C TYR A 319 4.665 -24.361 -0.517 1.00 61.42 C ATOM 1161 O TYR A 319 4.059 -23.785 -1.419 1.00 13.22 O ATOM 1162 CB TYR A 319 7.068 -24.582 0.101 1.00 63.43 C ATOM 1163 CG TYR A 319 8.197 -25.582 0.360 1.00 0.15 C ATOM 1164 CD1 TYR A 319 9.091 -25.890 -0.645 1.00 1.11 C ATOM 1165 CD2 TYR A 319 8.321 -26.176 1.600 1.00 3.41 C ATOM 1166 CE1 TYR A 319 10.154 -26.831 -0.400 1.00 55.44 C ATOM 1167 CE2 TYR A 319 9.384 -27.116 1.845 1.00 73.44 C ATOM 1168 CZ TYR A 319 10.247 -27.397 0.832 1.00 24.43 C ATOM 1169 OH TYR A 319 11.251 -28.286 1.063 1.00 12.02 O ATOM 0 H TYR A 319 6.881 -23.971 -2.308 1.00 41.03 H new ATOM 0 HA TYR A 319 5.771 -26.178 -0.662 1.00 41.51 H new ATOM 0 HB2 TYR A 319 7.490 -23.681 -0.344 1.00 63.43 H new ATOM 0 HB3 TYR A 319 6.628 -24.291 1.055 1.00 63.43 H new ATOM 0 HD1 TYR A 319 8.994 -25.426 -1.615 1.00 1.11 H new ATOM 0 HD2 TYR A 319 7.621 -25.936 2.386 1.00 3.41 H new ATOM 0 HE1 TYR A 319 10.861 -27.081 -1.178 1.00 55.44 H new ATOM 0 HE2 TYR A 319 9.493 -27.587 2.811 1.00 73.44 H new ATOM 0 HH TYR A 319 10.870 -29.142 1.351 1.00 12.02 H new ATOM 1179 N THR A 320 4.277 -24.390 0.749 1.00 20.22 N ATOM 1180 CA THR A 320 3.062 -23.716 1.175 1.00 21.52 C ATOM 1181 C THR A 320 3.398 -22.376 1.831 1.00 12.32 C ATOM 1182 O THR A 320 3.027 -21.320 1.320 1.00 65.24 O ATOM 1183 CB THR A 320 2.292 -24.667 2.094 1.00 11.32 C ATOM 1184 OG1 THR A 320 1.495 -25.442 1.203 1.00 51.21 O ATOM 1185 CG2 THR A 320 1.270 -23.936 2.968 1.00 24.33 C ATOM 0 H THR A 320 4.782 -24.870 1.494 1.00 20.22 H new ATOM 0 HA THR A 320 2.424 -23.475 0.325 1.00 21.52 H new ATOM 0 HB THR A 320 2.995 -25.206 2.730 1.00 11.32 H new ATOM 0 HG1 THR A 320 0.964 -26.087 1.716 1.00 51.21 H new ATOM 0 HG21 THR A 320 0.751 -24.656 3.601 1.00 24.33 H new ATOM 0 HG22 THR A 320 1.783 -23.206 3.594 1.00 24.33 H new ATOM 0 HG23 THR A 320 0.547 -23.425 2.332 1.00 24.33 H new ATOM 1193 N MET A 321 4.095 -22.461 2.954 1.00 25.13 N ATOM 1194 CA MET A 321 4.485 -21.268 3.686 1.00 43.32 C ATOM 1195 C MET A 321 3.458 -20.150 3.498 1.00 12.44 C ATOM 1196 O MET A 321 3.732 -19.156 2.827 1.00 11.23 O ATOM 1197 CB MET A 321 5.854 -20.792 3.194 1.00 54.50 C ATOM 1198 CG MET A 321 6.807 -21.972 2.999 1.00 4.01 C ATOM 1199 SD MET A 321 8.438 -21.542 3.583 1.00 44.20 S ATOM 1200 CE MET A 321 8.865 -20.272 2.403 1.00 10.13 C ATOM 0 H MET A 321 4.400 -23.338 3.375 1.00 25.13 H new ATOM 0 HA MET A 321 4.536 -21.515 4.746 1.00 43.32 H new ATOM 0 HB2 MET A 321 5.739 -20.253 2.253 1.00 54.50 H new ATOM 0 HB3 MET A 321 6.279 -20.091 3.913 1.00 54.50 H new ATOM 0 HG2 MET A 321 6.436 -22.843 3.539 1.00 4.01 H new ATOM 0 HG3 MET A 321 6.850 -22.245 1.945 1.00 4.01 H new ATOM 0 HE1 MET A 321 9.617 -19.612 2.835 1.00 10.13 H new ATOM 0 HE2 MET A 321 9.264 -20.734 1.500 1.00 10.13 H new ATOM 0 HE3 MET A 321 7.975 -19.694 2.153 1.00 10.13 H new ATOM 1210 N LYS A 322 2.296 -20.349 4.103 1.00 23.45 N ATOM 1211 CA LYS A 322 1.226 -19.370 4.012 1.00 64.43 C ATOM 1212 C LYS A 322 1.188 -18.541 5.297 1.00 62.11 C ATOM 1213 O LYS A 322 2.120 -18.588 6.098 1.00 22.43 O ATOM 1214 CB LYS A 322 -0.101 -20.057 3.683 1.00 40.41 C ATOM 1215 CG LYS A 322 -0.006 -20.832 2.367 1.00 32.24 C ATOM 1216 CD LYS A 322 -1.370 -21.397 1.964 1.00 1.42 C ATOM 1217 CE LYS A 322 -1.273 -22.180 0.654 1.00 72.32 C ATOM 1218 NZ LYS A 322 -2.534 -22.910 0.392 1.00 23.43 N ATOM 0 H LYS A 322 2.072 -21.175 4.659 1.00 23.45 H new ATOM 0 HA LYS A 322 1.412 -18.677 3.191 1.00 64.43 H new ATOM 0 HB2 LYS A 322 -0.373 -20.737 4.491 1.00 40.41 H new ATOM 0 HB3 LYS A 322 -0.893 -19.312 3.614 1.00 40.41 H new ATOM 0 HG2 LYS A 322 0.367 -20.176 1.580 1.00 32.24 H new ATOM 0 HG3 LYS A 322 0.712 -21.645 2.471 1.00 32.24 H new ATOM 0 HD2 LYS A 322 -1.746 -22.047 2.754 1.00 1.42 H new ATOM 0 HD3 LYS A 322 -2.087 -20.583 1.853 1.00 1.42 H new ATOM 0 HE2 LYS A 322 -1.063 -21.498 -0.170 1.00 72.32 H new ATOM 0 HE3 LYS A 322 -0.442 -22.884 0.705 1.00 72.32 H new ATOM 0 HZ1 LYS A 322 -2.451 -23.436 -0.501 1.00 23.43 H new ATOM 0 HZ2 LYS A 322 -2.718 -23.575 1.170 1.00 23.43 H new ATOM 0 HZ3 LYS A 322 -3.320 -22.232 0.323 1.00 23.43 H new ATOM 1231 N VAL A 323 0.101 -17.801 5.453 1.00 12.44 N ATOM 1232 CA VAL A 323 -0.071 -16.962 6.628 1.00 71.15 C ATOM 1233 C VAL A 323 -1.564 -16.796 6.916 1.00 35.54 C ATOM 1234 O VAL A 323 -2.333 -16.418 6.034 1.00 41.32 O ATOM 1235 CB VAL A 323 0.651 -15.628 6.428 1.00 53.11 C ATOM 1236 CG1 VAL A 323 0.736 -14.849 7.742 1.00 42.11 C ATOM 1237 CG2 VAL A 323 2.041 -15.841 5.825 1.00 32.45 C ATOM 0 H VAL A 323 -0.670 -17.764 4.786 1.00 12.44 H new ATOM 0 HA VAL A 323 0.379 -17.432 7.503 1.00 71.15 H new ATOM 0 HB VAL A 323 0.069 -15.034 5.723 1.00 53.11 H new ATOM 0 HG11 VAL A 323 1.254 -13.905 7.572 1.00 42.11 H new ATOM 0 HG12 VAL A 323 -0.270 -14.650 8.113 1.00 42.11 H new ATOM 0 HG13 VAL A 323 1.285 -15.436 8.478 1.00 42.11 H new ATOM 0 HG21 VAL A 323 2.532 -14.877 5.693 1.00 32.45 H new ATOM 0 HG22 VAL A 323 2.636 -16.463 6.493 1.00 32.45 H new ATOM 0 HG23 VAL A 323 1.946 -16.335 4.858 1.00 32.45 H new ATOM 1247 N VAL A 324 -1.931 -17.088 8.156 1.00 63.52 N ATOM 1248 CA VAL A 324 -3.318 -16.977 8.572 1.00 14.31 C ATOM 1249 C VAL A 324 -3.476 -15.759 9.485 1.00 22.34 C ATOM 1250 O VAL A 324 -2.497 -15.082 9.798 1.00 74.53 O ATOM 1251 CB VAL A 324 -3.774 -18.281 9.230 1.00 0.31 C ATOM 1252 CG1 VAL A 324 -3.818 -19.422 8.212 1.00 31.13 C ATOM 1253 CG2 VAL A 324 -2.877 -18.638 10.417 1.00 71.41 C ATOM 0 H VAL A 324 -1.291 -17.401 8.886 1.00 63.52 H new ATOM 0 HA VAL A 324 -3.964 -16.822 7.708 1.00 14.31 H new ATOM 0 HB VAL A 324 -4.785 -18.131 9.608 1.00 0.31 H new ATOM 0 HG11 VAL A 324 -4.145 -20.337 8.705 1.00 31.13 H new ATOM 0 HG12 VAL A 324 -4.516 -19.171 7.414 1.00 31.13 H new ATOM 0 HG13 VAL A 324 -2.824 -19.572 7.791 1.00 31.13 H new ATOM 0 HG21 VAL A 324 -3.222 -19.569 10.867 1.00 71.41 H new ATOM 0 HG22 VAL A 324 -1.850 -18.760 10.073 1.00 71.41 H new ATOM 0 HG23 VAL A 324 -2.919 -17.839 11.158 1.00 71.41 H new ATOM 1263 N ASN A 325 -4.715 -15.518 9.888 1.00 3.11 N ATOM 1264 CA ASN A 325 -5.013 -14.394 10.759 1.00 1.04 C ATOM 1265 C ASN A 325 -5.416 -14.917 12.139 1.00 30.15 C ATOM 1266 O ASN A 325 -5.313 -16.113 12.408 1.00 12.14 O ATOM 1267 CB ASN A 325 -6.175 -13.565 10.210 1.00 12.51 C ATOM 1268 CG ASN A 325 -7.115 -14.429 9.367 1.00 14.34 C ATOM 1269 OD1 ASN A 325 -7.568 -14.042 8.302 1.00 20.33 O ATOM 1270 ND2 ASN A 325 -7.383 -15.617 9.902 1.00 42.31 N ATOM 0 H ASN A 325 -5.524 -16.082 9.627 1.00 3.11 H new ATOM 0 HA ASN A 325 -4.122 -13.769 10.820 1.00 1.04 H new ATOM 0 HB2 ASN A 325 -6.729 -13.117 11.035 1.00 12.51 H new ATOM 0 HB3 ASN A 325 -5.788 -12.746 9.605 1.00 12.51 H new ATOM 0 HD21 ASN A 325 -8.001 -16.267 9.417 1.00 42.31 H new ATOM 0 HD22 ASN A 325 -6.970 -15.878 10.797 1.00 42.31 H new ATOM 1277 N GLN A 326 -5.866 -13.995 12.978 1.00 74.40 N ATOM 1278 CA GLN A 326 -6.285 -14.349 14.324 1.00 55.43 C ATOM 1279 C GLN A 326 -7.568 -15.182 14.279 1.00 64.32 C ATOM 1280 O GLN A 326 -8.048 -15.644 15.312 1.00 34.34 O ATOM 1281 CB GLN A 326 -6.474 -13.098 15.185 1.00 34.40 C ATOM 1282 CG GLN A 326 -7.782 -12.385 14.837 1.00 53.04 C ATOM 1283 CD GLN A 326 -8.069 -11.253 15.825 1.00 53.31 C ATOM 1284 OE1 GLN A 326 -8.970 -11.323 16.645 1.00 53.04 O ATOM 1285 NE2 GLN A 326 -7.255 -10.208 15.702 1.00 33.21 N ATOM 0 H GLN A 326 -5.950 -13.004 12.752 1.00 74.40 H new ATOM 0 HA GLN A 326 -5.500 -14.951 14.782 1.00 55.43 H new ATOM 0 HB2 GLN A 326 -6.476 -13.375 16.239 1.00 34.40 H new ATOM 0 HB3 GLN A 326 -5.635 -12.419 15.035 1.00 34.40 H new ATOM 0 HG2 GLN A 326 -7.723 -11.983 13.825 1.00 53.04 H new ATOM 0 HG3 GLN A 326 -8.605 -13.100 14.849 1.00 53.04 H new ATOM 0 HE21 GLN A 326 -6.521 -10.214 14.994 1.00 33.21 H new ATOM 0 HE22 GLN A 326 -7.365 -9.401 16.316 1.00 33.21 H new ATOM 1294 N ASP A 327 -8.085 -15.349 13.070 1.00 23.55 N ATOM 1295 CA ASP A 327 -9.302 -16.119 12.877 1.00 22.53 C ATOM 1296 C ASP A 327 -8.937 -17.544 12.455 1.00 71.13 C ATOM 1297 O ASP A 327 -9.804 -18.412 12.374 1.00 75.55 O ATOM 1298 CB ASP A 327 -10.172 -15.508 11.777 1.00 25.12 C ATOM 1299 CG ASP A 327 -11.594 -15.143 12.206 1.00 51.43 C ATOM 1300 OD1 ASP A 327 -11.830 -14.730 13.351 1.00 30.21 O ATOM 1301 OD2 ASP A 327 -12.495 -15.298 11.295 1.00 23.12 O ATOM 0 H ASP A 327 -7.683 -14.964 12.215 1.00 23.55 H new ATOM 0 HA ASP A 327 -9.855 -16.117 13.816 1.00 22.53 H new ATOM 0 HB2 ASP A 327 -9.680 -14.611 11.402 1.00 25.12 H new ATOM 0 HB3 ASP A 327 -10.228 -16.211 10.946 1.00 25.12 H new ATOM 1307 N GLY A 328 -7.652 -17.740 12.197 1.00 75.12 N ATOM 1308 CA GLY A 328 -7.162 -19.044 11.785 1.00 74.44 C ATOM 1309 C GLY A 328 -7.553 -19.344 10.336 1.00 63.12 C ATOM 1310 O GLY A 328 -8.157 -20.378 10.053 1.00 2.40 O ATOM 0 H GLY A 328 -6.936 -17.017 12.265 1.00 75.12 H new ATOM 0 HA2 GLY A 328 -6.077 -19.078 11.887 1.00 74.44 H new ATOM 0 HA3 GLY A 328 -7.568 -19.813 12.442 1.00 74.44 H new ATOM 1314 N GLU A 329 -7.192 -18.421 9.456 1.00 24.43 N ATOM 1315 CA GLU A 329 -7.497 -18.574 8.044 1.00 45.22 C ATOM 1316 C GLU A 329 -6.424 -17.892 7.193 1.00 45.14 C ATOM 1317 O GLU A 329 -6.098 -16.727 7.415 1.00 42.34 O ATOM 1318 CB GLU A 329 -8.886 -18.021 7.720 1.00 31.51 C ATOM 1319 CG GLU A 329 -8.786 -16.696 6.962 1.00 35.04 C ATOM 1320 CD GLU A 329 -10.166 -16.224 6.500 1.00 74.04 C ATOM 1321 OE1 GLU A 329 -11.162 -16.428 7.210 1.00 21.12 O ATOM 1322 OE2 GLU A 329 -10.183 -15.624 5.358 1.00 62.44 O ATOM 0 H GLU A 329 -6.691 -17.565 9.694 1.00 24.43 H new ATOM 0 HA GLU A 329 -7.501 -19.638 7.806 1.00 45.22 H new ATOM 0 HB2 GLU A 329 -9.439 -18.745 7.122 1.00 31.51 H new ATOM 0 HB3 GLU A 329 -9.447 -17.875 8.643 1.00 31.51 H new ATOM 0 HG2 GLU A 329 -8.335 -15.939 7.603 1.00 35.04 H new ATOM 0 HG3 GLU A 329 -8.131 -16.815 6.099 1.00 35.04 H new ATOM 1330 N THR A 330 -5.904 -18.647 6.236 1.00 21.10 N ATOM 1331 CA THR A 330 -4.874 -18.130 5.350 1.00 35.14 C ATOM 1332 C THR A 330 -5.377 -16.884 4.619 1.00 40.11 C ATOM 1333 O THR A 330 -6.341 -16.953 3.859 1.00 54.45 O ATOM 1334 CB THR A 330 -4.451 -19.259 4.408 1.00 11.41 C ATOM 1335 OG1 THR A 330 -3.426 -19.942 5.124 1.00 71.42 O ATOM 1336 CG2 THR A 330 -3.746 -18.740 3.153 1.00 55.12 C ATOM 0 H THR A 330 -6.177 -19.613 6.055 1.00 21.10 H new ATOM 0 HA THR A 330 -3.995 -17.808 5.909 1.00 35.14 H new ATOM 0 HB THR A 330 -5.328 -19.839 4.119 1.00 11.41 H new ATOM 0 HG1 THR A 330 -3.095 -20.692 4.586 1.00 71.42 H new ATOM 0 HG21 THR A 330 -3.467 -19.581 2.518 1.00 55.12 H new ATOM 0 HG22 THR A 330 -4.418 -18.080 2.605 1.00 55.12 H new ATOM 0 HG23 THR A 330 -2.850 -18.189 3.440 1.00 55.12 H new ATOM 1344 N ILE A 331 -4.700 -15.774 4.874 1.00 15.25 N ATOM 1345 CA ILE A 331 -5.066 -14.514 4.250 1.00 52.13 C ATOM 1346 C ILE A 331 -4.191 -14.289 3.015 1.00 4.44 C ATOM 1347 O ILE A 331 -4.659 -13.769 2.004 1.00 53.40 O ATOM 1348 CB ILE A 331 -5.001 -13.373 5.267 1.00 42.33 C ATOM 1349 CG1 ILE A 331 -3.565 -12.871 5.437 1.00 72.43 C ATOM 1350 CG2 ILE A 331 -5.624 -13.790 6.600 1.00 22.33 C ATOM 1351 CD1 ILE A 331 -3.468 -11.865 6.585 1.00 53.21 C ATOM 0 H ILE A 331 -3.900 -15.721 5.504 1.00 15.25 H new ATOM 0 HA ILE A 331 -6.100 -14.545 3.907 1.00 52.13 H new ATOM 0 HB ILE A 331 -5.590 -12.540 4.883 1.00 42.33 H new ATOM 0 HG12 ILE A 331 -2.902 -13.714 5.631 1.00 72.43 H new ATOM 0 HG13 ILE A 331 -3.227 -12.405 4.511 1.00 72.43 H new ATOM 0 HG21 ILE A 331 -5.565 -12.961 7.305 1.00 22.33 H new ATOM 0 HG22 ILE A 331 -6.669 -14.060 6.445 1.00 22.33 H new ATOM 0 HG23 ILE A 331 -5.084 -14.647 7.002 1.00 22.33 H new ATOM 0 HD11 ILE A 331 -2.437 -11.524 6.684 1.00 53.21 H new ATOM 0 HD12 ILE A 331 -4.114 -11.012 6.377 1.00 53.21 H new ATOM 0 HD13 ILE A 331 -3.784 -12.341 7.513 1.00 53.21 H new ATOM 1363 N LEU A 332 -2.934 -14.691 3.139 1.00 74.10 N ATOM 1364 CA LEU A 332 -1.989 -14.540 2.046 1.00 50.31 C ATOM 1365 C LEU A 332 -1.233 -15.855 1.846 1.00 43.53 C ATOM 1366 O LEU A 332 -1.318 -16.757 2.678 1.00 43.44 O ATOM 1367 CB LEU A 332 -1.076 -13.336 2.290 1.00 73.22 C ATOM 1368 CG LEU A 332 -1.466 -12.043 1.571 1.00 3.44 C ATOM 1369 CD1 LEU A 332 -0.425 -10.947 1.812 1.00 61.41 C ATOM 1370 CD2 LEU A 332 -1.700 -12.293 0.080 1.00 15.24 C ATOM 0 H LEU A 332 -2.549 -15.121 3.980 1.00 74.10 H new ATOM 0 HA LEU A 332 -2.514 -14.329 1.114 1.00 50.31 H new ATOM 0 HB2 LEU A 332 -1.047 -13.138 3.362 1.00 73.22 H new ATOM 0 HB3 LEU A 332 -0.064 -13.605 1.988 1.00 73.22 H new ATOM 0 HG LEU A 332 -2.409 -11.690 1.990 1.00 3.44 H new ATOM 0 HD11 LEU A 332 -0.726 -10.038 1.290 1.00 61.41 H new ATOM 0 HD12 LEU A 332 -0.351 -10.744 2.880 1.00 61.41 H new ATOM 0 HD13 LEU A 332 0.544 -11.277 1.437 1.00 61.41 H new ATOM 0 HD21 LEU A 332 -1.976 -11.358 -0.407 1.00 15.24 H new ATOM 0 HD22 LEU A 332 -0.787 -12.682 -0.371 1.00 15.24 H new ATOM 0 HD23 LEU A 332 -2.504 -13.018 -0.046 1.00 15.24 H new ATOM 1382 N VAL A 333 -0.510 -15.922 0.737 1.00 11.42 N ATOM 1383 CA VAL A 333 0.261 -17.111 0.417 1.00 33.01 C ATOM 1384 C VAL A 333 1.463 -16.718 -0.443 1.00 62.03 C ATOM 1385 O VAL A 333 1.324 -15.958 -1.401 1.00 21.43 O ATOM 1386 CB VAL A 333 -0.638 -18.153 -0.252 1.00 13.20 C ATOM 1387 CG1 VAL A 333 -2.069 -18.067 0.283 1.00 21.35 C ATOM 1388 CG2 VAL A 333 -0.613 -18.002 -1.774 1.00 64.34 C ATOM 0 H VAL A 333 -0.442 -15.172 0.049 1.00 11.42 H new ATOM 0 HA VAL A 333 0.649 -17.571 1.326 1.00 33.01 H new ATOM 0 HB VAL A 333 -0.247 -19.140 -0.006 1.00 13.20 H new ATOM 0 HG11 VAL A 333 -2.687 -18.818 -0.209 1.00 21.35 H new ATOM 0 HG12 VAL A 333 -2.067 -18.246 1.358 1.00 21.35 H new ATOM 0 HG13 VAL A 333 -2.474 -17.075 0.081 1.00 21.35 H new ATOM 0 HG21 VAL A 333 -1.260 -18.754 -2.225 1.00 64.34 H new ATOM 0 HG22 VAL A 333 -0.967 -17.008 -2.047 1.00 64.34 H new ATOM 0 HG23 VAL A 333 0.406 -18.136 -2.136 1.00 64.34 H new ATOM 1398 N GLY A 334 2.617 -17.253 -0.071 1.00 73.13 N ATOM 1399 CA GLY A 334 3.843 -16.968 -0.797 1.00 53.21 C ATOM 1400 C GLY A 334 4.022 -17.933 -1.971 1.00 4.13 C ATOM 1401 O GLY A 334 4.068 -19.147 -1.779 1.00 71.12 O ATOM 0 H GLY A 334 2.729 -17.882 0.724 1.00 73.13 H new ATOM 0 HA2 GLY A 334 3.822 -15.942 -1.165 1.00 53.21 H new ATOM 0 HA3 GLY A 334 4.696 -17.048 -0.123 1.00 53.21 H new ATOM 1405 N LYS A 335 4.120 -17.357 -3.160 1.00 12.43 N ATOM 1406 CA LYS A 335 4.293 -18.151 -4.364 1.00 45.42 C ATOM 1407 C LYS A 335 5.338 -19.239 -4.106 1.00 54.24 C ATOM 1408 O LYS A 335 5.308 -20.294 -4.738 1.00 25.14 O ATOM 1409 CB LYS A 335 4.625 -17.250 -5.556 1.00 71.31 C ATOM 1410 CG LYS A 335 6.126 -16.965 -5.627 1.00 4.11 C ATOM 1411 CD LYS A 335 6.544 -15.957 -4.554 1.00 22.30 C ATOM 1412 CE LYS A 335 8.036 -15.633 -4.658 1.00 13.23 C ATOM 1413 NZ LYS A 335 8.478 -15.675 -6.069 1.00 43.34 N ATOM 0 H LYS A 335 4.083 -16.350 -3.315 1.00 12.43 H new ATOM 0 HA LYS A 335 3.363 -18.657 -4.625 1.00 45.42 H new ATOM 0 HB2 LYS A 335 4.298 -17.728 -6.480 1.00 71.31 H new ATOM 0 HB3 LYS A 335 4.077 -16.312 -5.471 1.00 71.31 H new ATOM 0 HG2 LYS A 335 6.683 -17.893 -5.496 1.00 4.11 H new ATOM 0 HG3 LYS A 335 6.380 -16.578 -6.614 1.00 4.11 H new ATOM 0 HD2 LYS A 335 5.961 -15.042 -4.662 1.00 22.30 H new ATOM 0 HD3 LYS A 335 6.324 -16.360 -3.566 1.00 22.30 H new ATOM 0 HE2 LYS A 335 8.230 -14.645 -4.239 1.00 13.23 H new ATOM 0 HE3 LYS A 335 8.611 -16.347 -4.069 1.00 13.23 H new ATOM 0 HZ1 LYS A 335 9.508 -15.537 -6.114 1.00 43.34 H new ATOM 0 HZ2 LYS A 335 8.234 -16.598 -6.482 1.00 43.34 H new ATOM 0 HZ3 LYS A 335 8.003 -14.920 -6.604 1.00 43.34 H new ATOM 1426 N CYS A 336 6.236 -18.944 -3.178 1.00 35.43 N ATOM 1427 CA CYS A 336 7.287 -19.885 -2.829 1.00 0.44 C ATOM 1428 C CYS A 336 8.034 -20.267 -4.108 1.00 12.20 C ATOM 1429 O CYS A 336 8.026 -21.428 -4.512 1.00 73.52 O ATOM 1430 CB CYS A 336 6.731 -21.112 -2.104 1.00 54.01 C ATOM 1431 SG CYS A 336 7.098 -21.002 -0.315 1.00 30.43 S ATOM 0 H CYS A 336 6.258 -18.067 -2.657 1.00 35.43 H new ATOM 0 HA CYS A 336 7.981 -19.416 -2.131 1.00 0.44 H new ATOM 0 HB2 CYS A 336 5.654 -21.179 -2.259 1.00 54.01 H new ATOM 0 HB3 CYS A 336 7.170 -22.019 -2.519 1.00 54.01 H new ATOM 0 HG CYS A 336 8.164 -21.696 -0.047 1.00 30.43 H new ATOM 1437 N ALA A 337 8.662 -19.267 -4.710 1.00 33.23 N ATOM 1438 CA ALA A 337 9.412 -19.484 -5.935 1.00 71.21 C ATOM 1439 C ALA A 337 10.685 -20.271 -5.616 1.00 75.42 C ATOM 1440 O ALA A 337 10.888 -20.695 -4.480 1.00 31.54 O ATOM 1441 CB ALA A 337 9.710 -18.137 -6.597 1.00 20.14 C ATOM 0 H ALA A 337 8.667 -18.305 -4.372 1.00 33.23 H new ATOM 0 HA ALA A 337 8.829 -20.073 -6.643 1.00 71.21 H new ATOM 0 HB1 ALA A 337 10.273 -18.300 -7.516 1.00 20.14 H new ATOM 0 HB2 ALA A 337 8.773 -17.631 -6.830 1.00 20.14 H new ATOM 0 HB3 ALA A 337 10.297 -17.519 -5.917 1.00 20.14 H new ATOM 1447 N ASP A 338 11.508 -20.443 -6.640 1.00 0.03 N ATOM 1448 CA ASP A 338 12.755 -21.172 -6.483 1.00 3.22 C ATOM 1449 C ASP A 338 13.814 -20.240 -5.889 1.00 71.40 C ATOM 1450 O ASP A 338 14.903 -20.099 -6.444 1.00 14.42 O ATOM 1451 CB ASP A 338 13.272 -21.676 -7.832 1.00 1.13 C ATOM 1452 CG ASP A 338 12.189 -21.956 -8.875 1.00 70.04 C ATOM 1453 OD1 ASP A 338 11.031 -22.237 -8.534 1.00 75.20 O ATOM 1454 OD2 ASP A 338 12.580 -21.875 -10.102 1.00 60.31 O ATOM 0 H ASP A 338 11.336 -20.090 -7.581 1.00 0.03 H new ATOM 0 HA ASP A 338 12.568 -22.023 -5.828 1.00 3.22 H new ATOM 0 HB2 ASP A 338 13.964 -20.938 -8.238 1.00 1.13 H new ATOM 0 HB3 ASP A 338 13.842 -22.590 -7.667 1.00 1.13 H new ATOM 1460 N SER A 339 13.457 -19.630 -4.769 1.00 4.33 N ATOM 1461 CA SER A 339 14.363 -18.716 -4.094 1.00 2.24 C ATOM 1462 C SER A 339 13.818 -18.368 -2.707 1.00 25.44 C ATOM 1463 O SER A 339 12.611 -18.214 -2.531 1.00 31.32 O ATOM 1464 CB SER A 339 14.574 -17.443 -4.915 1.00 44.51 C ATOM 1465 OG SER A 339 15.776 -16.767 -4.554 1.00 63.51 O ATOM 0 H SER A 339 12.553 -19.750 -4.312 1.00 4.33 H new ATOM 0 HA SER A 339 15.328 -19.210 -3.985 1.00 2.24 H new ATOM 0 HB2 SER A 339 14.605 -17.696 -5.975 1.00 44.51 H new ATOM 0 HB3 SER A 339 13.725 -16.774 -4.772 1.00 44.51 H new ATOM 0 HG SER A 339 15.875 -15.961 -5.102 1.00 63.51 H new ATOM 1471 N ASN A 340 14.736 -18.255 -1.757 1.00 75.32 N ATOM 1472 CA ASN A 340 14.362 -17.929 -0.391 1.00 64.03 C ATOM 1473 C ASN A 340 13.385 -16.752 -0.402 1.00 32.14 C ATOM 1474 O ASN A 340 12.590 -16.593 0.523 1.00 14.22 O ATOM 1475 CB ASN A 340 15.586 -17.520 0.431 1.00 31.22 C ATOM 1476 CG ASN A 340 16.501 -18.720 0.687 1.00 53.34 C ATOM 1477 OD1 ASN A 340 16.157 -19.861 0.428 1.00 30.54 O ATOM 1478 ND2 ASN A 340 17.682 -18.398 1.207 1.00 73.22 N ATOM 0 H ASN A 340 15.737 -18.383 -1.906 1.00 75.32 H new ATOM 0 HA ASN A 340 13.906 -18.813 0.055 1.00 64.03 H new ATOM 0 HB2 ASN A 340 16.139 -16.742 -0.096 1.00 31.22 H new ATOM 0 HB3 ASN A 340 15.264 -17.094 1.381 1.00 31.22 H new ATOM 0 HD21 ASN A 340 18.364 -19.128 1.413 1.00 73.22 H new ATOM 0 HD22 ASN A 340 17.905 -17.422 1.399 1.00 73.22 H new ATOM 1485 N GLU A 341 13.476 -15.958 -1.458 1.00 1.40 N ATOM 1486 CA GLU A 341 12.610 -14.800 -1.601 1.00 14.01 C ATOM 1487 C GLU A 341 11.168 -15.244 -1.858 1.00 63.32 C ATOM 1488 O GLU A 341 10.932 -16.202 -2.592 1.00 61.53 O ATOM 1489 CB GLU A 341 13.106 -13.878 -2.716 1.00 3.30 C ATOM 1490 CG GLU A 341 13.969 -12.748 -2.150 1.00 23.33 C ATOM 1491 CD GLU A 341 14.182 -11.646 -3.190 1.00 34.32 C ATOM 1492 OE1 GLU A 341 14.934 -10.693 -2.938 1.00 72.13 O ATOM 1493 OE2 GLU A 341 13.533 -11.806 -4.293 1.00 51.13 O ATOM 0 H GLU A 341 14.136 -16.094 -2.223 1.00 1.40 H new ATOM 0 HA GLU A 341 12.636 -14.235 -0.669 1.00 14.01 H new ATOM 0 HB2 GLU A 341 13.683 -14.454 -3.439 1.00 3.30 H new ATOM 0 HB3 GLU A 341 12.254 -13.457 -3.251 1.00 3.30 H new ATOM 0 HG2 GLU A 341 13.491 -12.329 -1.264 1.00 23.33 H new ATOM 0 HG3 GLU A 341 14.933 -13.146 -1.834 1.00 23.33 H new ATOM 1501 N ILE A 342 10.242 -14.527 -1.239 1.00 43.45 N ATOM 1502 CA ILE A 342 8.831 -14.835 -1.392 1.00 55.13 C ATOM 1503 C ILE A 342 8.019 -13.540 -1.318 1.00 2.13 C ATOM 1504 O ILE A 342 8.259 -12.702 -0.450 1.00 32.25 O ATOM 1505 CB ILE A 342 8.399 -15.891 -0.372 1.00 42.42 C ATOM 1506 CG1 ILE A 342 9.200 -17.183 -0.548 1.00 53.44 C ATOM 1507 CG2 ILE A 342 6.891 -16.137 -0.443 1.00 13.34 C ATOM 1508 CD1 ILE A 342 8.792 -18.226 0.494 1.00 65.23 C ATOM 0 H ILE A 342 10.442 -13.733 -0.630 1.00 43.45 H new ATOM 0 HA ILE A 342 8.642 -15.275 -2.371 1.00 55.13 H new ATOM 0 HB ILE A 342 8.616 -15.511 0.626 1.00 42.42 H new ATOM 0 HG12 ILE A 342 9.039 -17.582 -1.550 1.00 53.44 H new ATOM 0 HG13 ILE A 342 10.265 -16.970 -0.457 1.00 53.44 H new ATOM 0 HG21 ILE A 342 6.610 -16.892 0.292 1.00 13.34 H new ATOM 0 HG22 ILE A 342 6.361 -15.209 -0.231 1.00 13.34 H new ATOM 0 HG23 ILE A 342 6.626 -16.486 -1.441 1.00 13.34 H new ATOM 0 HD11 ILE A 342 9.376 -19.135 0.347 1.00 65.23 H new ATOM 0 HD12 ILE A 342 8.977 -17.833 1.494 1.00 65.23 H new ATOM 0 HD13 ILE A 342 7.732 -18.454 0.385 1.00 65.23 H new ATOM 1520 N THR A 343 7.076 -13.416 -2.240 1.00 34.54 N ATOM 1521 CA THR A 343 6.227 -12.238 -2.289 1.00 45.32 C ATOM 1522 C THR A 343 4.752 -12.643 -2.308 1.00 2.42 C ATOM 1523 O THR A 343 4.158 -12.786 -3.375 1.00 34.51 O ATOM 1524 CB THR A 343 6.645 -11.406 -3.504 1.00 14.13 C ATOM 1525 OG1 THR A 343 6.090 -12.108 -4.613 1.00 30.24 O ATOM 1526 CG2 THR A 343 8.154 -11.449 -3.753 1.00 13.15 C ATOM 0 H THR A 343 6.881 -14.112 -2.959 1.00 34.54 H new ATOM 0 HA THR A 343 6.350 -11.624 -1.397 1.00 45.32 H new ATOM 0 HB THR A 343 6.331 -10.372 -3.361 1.00 14.13 H new ATOM 0 HG1 THR A 343 5.112 -12.053 -4.579 1.00 30.24 H new ATOM 0 HG21 THR A 343 8.396 -10.843 -4.626 1.00 13.15 H new ATOM 0 HG22 THR A 343 8.678 -11.056 -2.882 1.00 13.15 H new ATOM 0 HG23 THR A 343 8.464 -12.479 -3.929 1.00 13.15 H new ATOM 1534 N LEU A 344 4.204 -12.815 -1.114 1.00 70.11 N ATOM 1535 CA LEU A 344 2.809 -13.201 -0.980 1.00 5.44 C ATOM 1536 C LEU A 344 1.975 -12.450 -2.019 1.00 13.41 C ATOM 1537 O LEU A 344 2.142 -11.245 -2.202 1.00 11.24 O ATOM 1538 CB LEU A 344 2.332 -12.993 0.459 1.00 4.42 C ATOM 1539 CG LEU A 344 2.615 -14.139 1.432 1.00 71.41 C ATOM 1540 CD1 LEU A 344 4.081 -14.571 1.360 1.00 50.30 C ATOM 1541 CD2 LEU A 344 2.196 -13.767 2.855 1.00 3.45 C ATOM 0 H LEU A 344 4.700 -12.694 -0.231 1.00 70.11 H new ATOM 0 HA LEU A 344 2.687 -14.265 -1.181 1.00 5.44 H new ATOM 0 HB2 LEU A 344 2.799 -12.089 0.848 1.00 4.42 H new ATOM 0 HB3 LEU A 344 1.257 -12.814 0.442 1.00 4.42 H new ATOM 0 HG LEU A 344 2.012 -14.997 1.133 1.00 71.41 H new ATOM 0 HD11 LEU A 344 4.255 -15.387 2.062 1.00 50.30 H new ATOM 0 HD12 LEU A 344 4.312 -14.906 0.349 1.00 50.30 H new ATOM 0 HD13 LEU A 344 4.722 -13.728 1.618 1.00 50.30 H new ATOM 0 HD21 LEU A 344 2.408 -14.599 3.526 1.00 3.45 H new ATOM 0 HD22 LEU A 344 2.752 -12.888 3.180 1.00 3.45 H new ATOM 0 HD23 LEU A 344 1.128 -13.548 2.875 1.00 3.45 H new ATOM 1553 N LYS A 345 1.094 -13.193 -2.673 1.00 10.33 N ATOM 1554 CA LYS A 345 0.233 -12.612 -3.689 1.00 32.20 C ATOM 1555 C LYS A 345 -1.189 -12.491 -3.138 1.00 12.14 C ATOM 1556 O LYS A 345 -1.637 -11.396 -2.800 1.00 42.05 O ATOM 1557 CB LYS A 345 0.322 -13.414 -4.989 1.00 21.32 C ATOM 1558 CG LYS A 345 1.720 -14.010 -5.170 1.00 75.35 C ATOM 1559 CD LYS A 345 1.772 -14.920 -6.399 1.00 60.24 C ATOM 1560 CE LYS A 345 2.797 -14.411 -7.415 1.00 31.20 C ATOM 1561 NZ LYS A 345 2.483 -14.921 -8.768 1.00 71.44 N ATOM 0 H LYS A 345 0.958 -14.192 -2.519 1.00 10.33 H new ATOM 0 HA LYS A 345 0.565 -11.605 -3.939 1.00 32.20 H new ATOM 0 HB2 LYS A 345 -0.420 -14.213 -4.979 1.00 21.32 H new ATOM 0 HB3 LYS A 345 0.085 -12.769 -5.835 1.00 21.32 H new ATOM 0 HG2 LYS A 345 2.451 -13.208 -5.276 1.00 75.35 H new ATOM 0 HG3 LYS A 345 1.996 -14.577 -4.281 1.00 75.35 H new ATOM 0 HD2 LYS A 345 2.029 -15.934 -6.094 1.00 60.24 H new ATOM 0 HD3 LYS A 345 0.787 -14.967 -6.863 1.00 60.24 H new ATOM 0 HE2 LYS A 345 2.800 -13.321 -7.422 1.00 31.20 H new ATOM 0 HE3 LYS A 345 3.797 -14.731 -7.123 1.00 31.20 H new ATOM 0 HZ1 LYS A 345 3.188 -14.566 -9.445 1.00 71.44 H new ATOM 0 HZ2 LYS A 345 2.503 -15.961 -8.760 1.00 71.44 H new ATOM 0 HZ3 LYS A 345 1.537 -14.595 -9.051 1.00 71.44 H new ATOM 1574 N SER A 346 -1.860 -13.631 -3.063 1.00 20.11 N ATOM 1575 CA SER A 346 -3.222 -13.666 -2.558 1.00 71.43 C ATOM 1576 C SER A 346 -3.926 -14.937 -3.039 1.00 64.04 C ATOM 1577 O SER A 346 -3.807 -15.313 -4.204 1.00 73.25 O ATOM 1578 CB SER A 346 -4.005 -12.427 -2.998 1.00 64.50 C ATOM 1579 OG SER A 346 -3.910 -11.371 -2.047 1.00 3.42 O ATOM 0 H SER A 346 -1.486 -14.537 -3.344 1.00 20.11 H new ATOM 0 HA SER A 346 -3.183 -13.670 -1.469 1.00 71.43 H new ATOM 0 HB2 SER A 346 -3.628 -12.083 -3.961 1.00 64.50 H new ATOM 0 HB3 SER A 346 -5.052 -12.692 -3.142 1.00 64.50 H new ATOM 0 HG SER A 346 -3.091 -10.857 -2.209 1.00 3.42 H new ATOM 1585 N PRO A 347 -4.661 -15.580 -2.093 1.00 54.14 N ATOM 1586 CA PRO A 347 -5.384 -16.800 -2.409 1.00 30.32 C ATOM 1587 C PRO A 347 -6.640 -16.498 -3.229 1.00 45.33 C ATOM 1588 O PRO A 347 -6.698 -16.807 -4.418 1.00 62.24 O ATOM 1589 CB PRO A 347 -5.693 -17.434 -1.062 1.00 41.12 C ATOM 1590 CG PRO A 347 -5.544 -16.323 -0.035 1.00 74.21 C ATOM 1591 CD PRO A 347 -4.824 -15.163 -0.704 1.00 34.44 C ATOM 0 HA PRO A 347 -4.805 -17.481 -3.033 1.00 30.32 H new ATOM 0 HB2 PRO A 347 -6.702 -17.847 -1.047 1.00 41.12 H new ATOM 0 HB3 PRO A 347 -5.009 -18.256 -0.851 1.00 41.12 H new ATOM 0 HG2 PRO A 347 -6.521 -16.006 0.329 1.00 74.21 H new ATOM 0 HG3 PRO A 347 -4.980 -16.675 0.829 1.00 74.21 H new ATOM 0 HD2 PRO A 347 -5.404 -14.243 -0.632 1.00 34.44 H new ATOM 0 HD3 PRO A 347 -3.860 -14.970 -0.233 1.00 34.44 H new ATOM 1599 N LEU A 348 -7.613 -15.896 -2.562 1.00 32.43 N ATOM 1600 CA LEU A 348 -8.864 -15.548 -3.214 1.00 70.43 C ATOM 1601 C LEU A 348 -9.015 -14.026 -3.239 1.00 62.14 C ATOM 1602 O LEU A 348 -8.769 -13.358 -2.237 1.00 3.35 O ATOM 1603 CB LEU A 348 -10.036 -16.272 -2.547 1.00 43.41 C ATOM 1604 CG LEU A 348 -11.434 -15.796 -2.949 1.00 25.52 C ATOM 1605 CD1 LEU A 348 -11.486 -15.444 -4.437 1.00 33.33 C ATOM 1606 CD2 LEU A 348 -12.495 -16.830 -2.566 1.00 61.14 C ATOM 0 H LEU A 348 -7.561 -15.640 -1.576 1.00 32.43 H new ATOM 0 HA LEU A 348 -8.860 -15.885 -4.251 1.00 70.43 H new ATOM 0 HB2 LEU A 348 -9.957 -17.335 -2.773 1.00 43.41 H new ATOM 0 HB3 LEU A 348 -9.935 -16.167 -1.467 1.00 43.41 H new ATOM 0 HG LEU A 348 -11.658 -14.884 -2.395 1.00 25.52 H new ATOM 0 HD11 LEU A 348 -12.490 -15.109 -4.697 1.00 33.33 H new ATOM 0 HD12 LEU A 348 -10.772 -14.648 -4.648 1.00 33.33 H new ATOM 0 HD13 LEU A 348 -11.233 -16.324 -5.028 1.00 33.33 H new ATOM 0 HD21 LEU A 348 -13.480 -16.468 -2.862 1.00 61.14 H new ATOM 0 HD22 LEU A 348 -12.286 -17.771 -3.075 1.00 61.14 H new ATOM 0 HD23 LEU A 348 -12.476 -16.988 -1.488 1.00 61.14 H new