USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 968 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: B 14 HIS : no HE2:sc= 1.12 K(o=1.1,f=-5!) USER MOD Set 1.2: B 17 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 40 LYS NZ :NH3+ -176:sc= 1.22 (180deg=0) USER MOD Set 2.2: A 60 SER OG : rot 78:sc= 1.48 USER MOD Set 3.1: A 55 LYS NZ :NH3+ -142:sc= 1.01 (180deg=0) USER MOD Set 3.2: B 58 THR OG1 : rot -66:sc= 2.09 USER MOD Set 4.1: A 21 ASN : amide:sc= 0.537 K(o=2.5,f=-6.5!) USER MOD Set 4.2: A 27 LYS NZ :NH3+ -112:sc= 1.92 (180deg=-0.682!) USER MOD Set 5.1: A 14 HIS : +bothHN:sc= 2.29 K(o=3.3,f=-13!) USER MOD Set 5.2: A 17 THR OG1 : rot -124:sc= 0.962 USER MOD Single : A 8 THR OG1 : rot 35:sc= 0.18 USER MOD Single : A 19 SER OG : rot 180:sc= -0.0908 USER MOD Single : A 23 LYS NZ :NH3+ -168:sc=-0.00205 (180deg=-0.152) USER MOD Single : A 26 THR OG1 : rot 135:sc= -0.203 USER MOD Single : A 30 ASN : amide:sc= -0.511 K(o=-0.51,f=-1.2) USER MOD Single : A 33 SER OG : rot -155:sc= 0.599 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0.0618 USER MOD Single : A 58 THR OG1 : rot 43:sc= 0.0584 USER MOD Single : A 61 ASN : amide:sc= -0.294 K(o=-0.29,f=-4.4!) USER MOD Single : A 65 GLN : amide:sc= -0.571 K(o=-0.57,f=-7.9!) USER MOD Single : A 66 THR OG1 : rot 73:sc= 1.25 USER MOD Single : A 67 MET CE :methyl -166:sc= 0 (180deg=-0.44) USER MOD Single : A 72 LYS NZ :NH3+ 132:sc= 2.37 (180deg=1.15) USER MOD Single : A 74 ASN : amide:sc= -0.329 X(o=-0.33,f=-0.065) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 21 ASN :FLIP amide:sc= -0.769 F(o=-1.6,f=-0.77) USER MOD Single : B 23 LYS NZ :NH3+ -166:sc= -0.0653 (180deg=-0.312) USER MOD Single : B 26 THR OG1 : rot -16:sc= 0.16 USER MOD Single : B 27 LYS NZ :NH3+ -175:sc= -0.359! (180deg=-0.591!) USER MOD Single : B 30 ASN : amide:sc= 0.468 K(o=0.47,f=-0.23) USER MOD Single : B 33 SER OG : rot 105:sc= 0.829 USER MOD Single : B 35 ASN : amide:sc= -0.214 X(o=-0.21,f=-0.12) USER MOD Single : B 40 LYS NZ :NH3+ 163:sc= -0.0759 (180deg=-0.448) USER MOD Single : B 47 SER OG : rot 180:sc= 0 USER MOD Single : B 55 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0694) USER MOD Single : B 60 SER OG : rot 180:sc= -0.048 USER MOD Single : B 61 ASN : amide:sc= -0.158 K(o=-0.16,f=-3.6!) USER MOD Single : B 65 GLN :FLIP amide:sc=-0.00165 F(o=-2.1!,f=-0.0017) USER MOD Single : B 66 THR OG1 : rot 73:sc= 0.824 USER MOD Single : B 67 MET CE :methyl -127:sc= -0.203 (180deg=-0.888) USER MOD Single : B 72 LYS NZ :NH3+ -120:sc= 1.96 (180deg=0.461) USER MOD Single : B 74 ASN : amide:sc= -0.03 K(o=-0.03,f=-6.8!) USER MOD ----------------------------------------------------------------- ATOM 126 N THR A 8 12.507 6.688 -16.931 1.00 0.00 N ATOM 127 CA THR A 8 13.672 6.243 -16.196 1.00 0.00 C ATOM 128 C THR A 8 13.479 6.590 -14.727 1.00 0.00 C ATOM 129 O THR A 8 13.330 7.759 -14.378 1.00 0.00 O ATOM 130 CB THR A 8 14.955 6.913 -16.726 1.00 0.00 C ATOM 131 OG1 THR A 8 15.018 6.783 -18.154 1.00 0.00 O ATOM 132 CG2 THR A 8 16.195 6.288 -16.102 1.00 0.00 C ATOM 0 HA THR A 8 13.782 5.166 -16.322 1.00 0.00 H new ATOM 0 HB THR A 8 14.926 7.968 -16.454 1.00 0.00 H new ATOM 0 HG1 THR A 8 14.113 6.832 -18.527 1.00 0.00 H new ATOM 0 HG21 THR A 8 17.086 6.779 -16.493 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.159 6.411 -15.020 1.00 0.00 H new ATOM 0 HG23 THR A 8 16.229 5.226 -16.346 1.00 0.00 H new ATOM 140 N PHE A 9 13.453 5.583 -13.871 1.00 0.00 N ATOM 141 CA PHE A 9 13.154 5.807 -12.467 1.00 0.00 C ATOM 142 C PHE A 9 14.232 5.222 -11.565 1.00 0.00 C ATOM 143 O PHE A 9 14.860 4.212 -11.895 1.00 0.00 O ATOM 144 CB PHE A 9 11.778 5.227 -12.112 1.00 0.00 C ATOM 145 CG PHE A 9 11.633 3.751 -12.375 1.00 0.00 C ATOM 146 CD1 PHE A 9 11.237 3.293 -13.622 1.00 0.00 C ATOM 147 CD2 PHE A 9 11.884 2.824 -11.376 1.00 0.00 C ATOM 148 CE1 PHE A 9 11.094 1.942 -13.866 1.00 0.00 C ATOM 149 CE2 PHE A 9 11.744 1.470 -11.614 1.00 0.00 C ATOM 150 CZ PHE A 9 11.350 1.029 -12.862 1.00 0.00 C ATOM 0 H PHE A 9 13.634 4.611 -14.120 1.00 0.00 H new ATOM 0 HA PHE A 9 13.134 6.884 -12.299 1.00 0.00 H new ATOM 0 HB2 PHE A 9 11.580 5.416 -11.057 1.00 0.00 H new ATOM 0 HB3 PHE A 9 11.016 5.761 -12.680 1.00 0.00 H new ATOM 0 HD1 PHE A 9 11.038 4.002 -14.412 1.00 0.00 H new ATOM 0 HD2 PHE A 9 12.193 3.164 -10.399 1.00 0.00 H new ATOM 0 HE1 PHE A 9 10.782 1.599 -14.841 1.00 0.00 H new ATOM 0 HE2 PHE A 9 11.942 0.758 -10.826 1.00 0.00 H new ATOM 0 HZ PHE A 9 11.242 -0.029 -13.053 1.00 0.00 H new ATOM 160 N GLU A 10 14.451 5.879 -10.437 1.00 0.00 N ATOM 161 CA GLU A 10 15.407 5.416 -9.447 1.00 0.00 C ATOM 162 C GLU A 10 14.703 5.118 -8.128 1.00 0.00 C ATOM 163 O GLU A 10 13.647 5.684 -7.835 1.00 0.00 O ATOM 164 CB GLU A 10 16.494 6.465 -9.212 1.00 0.00 C ATOM 165 CG GLU A 10 17.338 6.777 -10.435 1.00 0.00 C ATOM 166 CD GLU A 10 18.434 7.775 -10.129 1.00 0.00 C ATOM 167 OE1 GLU A 10 19.515 7.355 -9.662 1.00 0.00 O ATOM 168 OE2 GLU A 10 18.219 8.989 -10.333 1.00 0.00 O ATOM 0 H GLU A 10 13.973 6.744 -10.184 1.00 0.00 H new ATOM 0 HA GLU A 10 15.868 4.504 -9.827 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.025 7.386 -8.865 1.00 0.00 H new ATOM 0 HB3 GLU A 10 17.149 6.119 -8.412 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.782 5.856 -10.814 1.00 0.00 H new ATOM 0 HG3 GLU A 10 16.699 7.171 -11.225 1.00 0.00 H new ATOM 175 N ILE A 11 15.281 4.221 -7.344 1.00 0.00 N ATOM 176 CA ILE A 11 14.761 3.928 -6.020 1.00 0.00 C ATOM 177 C ILE A 11 15.477 4.787 -4.984 1.00 0.00 C ATOM 178 O ILE A 11 16.578 4.460 -4.535 1.00 0.00 O ATOM 179 CB ILE A 11 14.905 2.433 -5.662 1.00 0.00 C ATOM 180 CG1 ILE A 11 14.164 1.578 -6.696 1.00 0.00 C ATOM 181 CG2 ILE A 11 14.374 2.164 -4.258 1.00 0.00 C ATOM 182 CD1 ILE A 11 14.285 0.087 -6.468 1.00 0.00 C ATOM 0 H ILE A 11 16.109 3.685 -7.602 1.00 0.00 H new ATOM 0 HA ILE A 11 13.697 4.163 -6.020 1.00 0.00 H new ATOM 0 HB ILE A 11 15.962 2.166 -5.678 1.00 0.00 H new ATOM 0 HG12 ILE A 11 13.109 1.851 -6.688 1.00 0.00 H new ATOM 0 HG13 ILE A 11 14.547 1.815 -7.689 1.00 0.00 H new ATOM 0 HG21 ILE A 11 14.484 1.105 -4.024 1.00 0.00 H new ATOM 0 HG22 ILE A 11 14.937 2.756 -3.536 1.00 0.00 H new ATOM 0 HG23 ILE A 11 13.320 2.439 -4.209 1.00 0.00 H new ATOM 0 HD11 ILE A 11 13.733 -0.445 -7.242 1.00 0.00 H new ATOM 0 HD12 ILE A 11 15.335 -0.203 -6.507 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.874 -0.166 -5.490 1.00 0.00 H new ATOM 194 N GLU A 12 14.847 5.902 -4.633 1.00 0.00 N ATOM 195 CA GLU A 12 15.437 6.884 -3.734 1.00 0.00 C ATOM 196 C GLU A 12 15.741 6.295 -2.361 1.00 0.00 C ATOM 197 O GLU A 12 16.804 6.543 -1.792 1.00 0.00 O ATOM 198 CB GLU A 12 14.494 8.077 -3.579 1.00 0.00 C ATOM 199 CG GLU A 12 14.253 8.839 -4.870 1.00 0.00 C ATOM 200 CD GLU A 12 15.512 9.486 -5.403 1.00 0.00 C ATOM 201 OE1 GLU A 12 15.984 10.465 -4.789 1.00 0.00 O ATOM 202 OE2 GLU A 12 16.028 9.024 -6.440 1.00 0.00 O ATOM 0 H GLU A 12 13.914 6.150 -4.963 1.00 0.00 H new ATOM 0 HA GLU A 12 16.381 7.205 -4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.538 7.725 -3.192 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.906 8.760 -2.836 1.00 0.00 H new ATOM 0 HG2 GLU A 12 13.852 8.158 -5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 12 13.498 9.606 -4.700 1.00 0.00 H new ATOM 209 N GLU A 13 14.811 5.514 -1.834 1.00 0.00 N ATOM 210 CA GLU A 13 14.960 4.967 -0.495 1.00 0.00 C ATOM 211 C GLU A 13 14.109 3.718 -0.320 1.00 0.00 C ATOM 212 O GLU A 13 12.908 3.731 -0.589 1.00 0.00 O ATOM 213 CB GLU A 13 14.573 6.022 0.546 1.00 0.00 C ATOM 214 CG GLU A 13 14.585 5.518 1.981 1.00 0.00 C ATOM 215 CD GLU A 13 14.402 6.632 2.993 1.00 0.00 C ATOM 216 OE1 GLU A 13 13.470 7.454 2.828 1.00 0.00 O ATOM 217 OE2 GLU A 13 15.201 6.705 3.949 1.00 0.00 O ATOM 0 H GLU A 13 13.950 5.246 -2.310 1.00 0.00 H new ATOM 0 HA GLU A 13 16.004 4.688 -0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 13 15.258 6.866 0.464 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.576 6.397 0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.792 4.781 2.110 1.00 0.00 H new ATOM 0 HG3 GLU A 13 15.528 5.008 2.175 1.00 0.00 H new ATOM 224 N HIS A 14 14.747 2.640 0.106 1.00 0.00 N ATOM 225 CA HIS A 14 14.053 1.406 0.433 1.00 0.00 C ATOM 226 C HIS A 14 13.517 1.488 1.862 1.00 0.00 C ATOM 227 O HIS A 14 14.272 1.365 2.828 1.00 0.00 O ATOM 228 CB HIS A 14 15.002 0.209 0.266 1.00 0.00 C ATOM 229 CG HIS A 14 14.415 -1.114 0.669 1.00 0.00 C ATOM 230 ND1 HIS A 14 13.592 -1.865 -0.148 1.00 0.00 N ATOM 231 CD2 HIS A 14 14.554 -1.826 1.812 1.00 0.00 C ATOM 232 CE1 HIS A 14 13.254 -2.976 0.477 1.00 0.00 C ATOM 233 NE2 HIS A 14 13.822 -2.975 1.663 1.00 0.00 N ATOM 0 H HIS A 14 15.758 2.596 0.234 1.00 0.00 H new ATOM 0 HA HIS A 14 13.212 1.266 -0.246 1.00 0.00 H new ATOM 0 HB2 HIS A 14 15.313 0.151 -0.777 1.00 0.00 H new ATOM 0 HB3 HIS A 14 15.900 0.389 0.857 1.00 0.00 H new ATOM 0 HD1 HIS A 14 13.293 -1.602 -1.087 1.00 0.00 H new ATOM 0 HD2 HIS A 14 15.133 -1.542 2.678 1.00 0.00 H new ATOM 0 HE1 HIS A 14 12.618 -3.755 0.082 1.00 0.00 H new ATOM 0 HE2 HIS A 14 13.732 -3.713 2.362 1.00 0.00 H new ATOM 242 N LEU A 15 12.216 1.707 1.986 1.00 0.00 N ATOM 243 CA LEU A 15 11.592 1.909 3.287 1.00 0.00 C ATOM 244 C LEU A 15 11.413 0.591 4.023 1.00 0.00 C ATOM 245 O LEU A 15 12.025 0.362 5.065 1.00 0.00 O ATOM 246 CB LEU A 15 10.230 2.592 3.121 1.00 0.00 C ATOM 247 CG LEU A 15 10.270 4.004 2.549 1.00 0.00 C ATOM 248 CD1 LEU A 15 8.879 4.438 2.125 1.00 0.00 C ATOM 249 CD2 LEU A 15 10.835 4.969 3.576 1.00 0.00 C ATOM 0 H LEU A 15 11.569 1.750 1.198 1.00 0.00 H new ATOM 0 HA LEU A 15 12.251 2.547 3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.609 1.973 2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.739 2.626 4.094 1.00 0.00 H new ATOM 0 HG LEU A 15 10.918 4.010 1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.921 5.448 1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.501 3.756 1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.214 4.422 2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.859 5.975 3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.206 4.962 4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.846 4.664 3.844 1.00 0.00 H new ATOM 261 N LEU A 16 10.584 -0.284 3.467 1.00 0.00 N ATOM 262 CA LEU A 16 10.215 -1.518 4.149 1.00 0.00 C ATOM 263 C LEU A 16 10.285 -2.713 3.218 1.00 0.00 C ATOM 264 O LEU A 16 10.039 -2.592 2.019 1.00 0.00 O ATOM 265 CB LEU A 16 8.793 -1.418 4.711 1.00 0.00 C ATOM 266 CG LEU A 16 8.570 -0.328 5.753 1.00 0.00 C ATOM 267 CD1 LEU A 16 7.131 -0.346 6.230 1.00 0.00 C ATOM 268 CD2 LEU A 16 9.519 -0.513 6.923 1.00 0.00 C ATOM 0 H LEU A 16 10.156 -0.163 2.549 1.00 0.00 H new ATOM 0 HA LEU A 16 10.929 -1.659 4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.105 -1.249 3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.529 -2.378 5.154 1.00 0.00 H new ATOM 0 HG LEU A 16 8.773 0.640 5.295 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.984 0.437 6.974 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.465 -0.173 5.385 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.907 -1.316 6.675 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.347 0.273 7.658 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.344 -1.485 7.383 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.548 -0.460 6.568 1.00 0.00 H new ATOM 280 N THR A 17 10.639 -3.857 3.777 1.00 0.00 N ATOM 281 CA THR A 17 10.544 -5.120 3.073 1.00 0.00 C ATOM 282 C THR A 17 9.369 -5.914 3.638 1.00 0.00 C ATOM 283 O THR A 17 9.364 -6.245 4.825 1.00 0.00 O ATOM 284 CB THR A 17 11.837 -5.943 3.234 1.00 0.00 C ATOM 285 OG1 THR A 17 12.978 -5.107 2.998 1.00 0.00 O ATOM 286 CG2 THR A 17 11.855 -7.112 2.262 1.00 0.00 C ATOM 0 H THR A 17 10.999 -3.935 4.728 1.00 0.00 H new ATOM 0 HA THR A 17 10.395 -4.918 2.012 1.00 0.00 H new ATOM 0 HB THR A 17 11.872 -6.333 4.251 1.00 0.00 H new ATOM 0 HG1 THR A 17 13.530 -5.499 2.289 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.776 -7.680 2.393 1.00 0.00 H new ATOM 0 HG22 THR A 17 11.000 -7.759 2.455 1.00 0.00 H new ATOM 0 HG23 THR A 17 11.802 -6.736 1.240 1.00 0.00 H new ATOM 294 N LEU A 18 8.368 -6.196 2.814 1.00 0.00 N ATOM 295 CA LEU A 18 7.181 -6.894 3.297 1.00 0.00 C ATOM 296 C LEU A 18 7.436 -8.393 3.317 1.00 0.00 C ATOM 297 O LEU A 18 7.541 -9.001 4.383 1.00 0.00 O ATOM 298 CB LEU A 18 5.951 -6.593 2.429 1.00 0.00 C ATOM 299 CG LEU A 18 5.701 -5.117 2.102 1.00 0.00 C ATOM 300 CD1 LEU A 18 4.288 -4.934 1.588 1.00 0.00 C ATOM 301 CD2 LEU A 18 5.939 -4.233 3.319 1.00 0.00 C ATOM 0 H LEU A 18 8.352 -5.957 1.823 1.00 0.00 H new ATOM 0 HA LEU A 18 6.975 -6.538 4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.051 -7.140 1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.069 -6.986 2.935 1.00 0.00 H new ATOM 0 HG LEU A 18 6.407 -4.816 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.118 -3.882 1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.149 -5.530 0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.579 -5.258 2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.753 -3.192 3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.264 -4.529 4.122 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.971 -4.344 3.653 1.00 0.00 H new ATOM 313 N SER A 19 7.561 -8.969 2.130 1.00 0.00 N ATOM 314 CA SER A 19 7.787 -10.400 1.983 1.00 0.00 C ATOM 315 C SER A 19 7.891 -10.751 0.504 1.00 0.00 C ATOM 316 O SER A 19 7.641 -9.908 -0.362 1.00 0.00 O ATOM 317 CB SER A 19 6.654 -11.201 2.644 1.00 0.00 C ATOM 318 OG SER A 19 6.931 -12.594 2.649 1.00 0.00 O ATOM 0 H SER A 19 7.509 -8.462 1.247 1.00 0.00 H new ATOM 0 HA SER A 19 8.721 -10.662 2.481 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.512 -10.854 3.668 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.720 -11.017 2.113 1.00 0.00 H new ATOM 0 HG SER A 19 6.191 -13.073 3.078 1.00 0.00 H new ATOM 324 N GLU A 20 8.260 -11.990 0.219 1.00 0.00 N ATOM 325 CA GLU A 20 8.407 -12.441 -1.152 1.00 0.00 C ATOM 326 C GLU A 20 7.393 -13.537 -1.459 1.00 0.00 C ATOM 327 O GLU A 20 7.394 -14.593 -0.822 1.00 0.00 O ATOM 328 CB GLU A 20 9.819 -12.969 -1.388 1.00 0.00 C ATOM 329 CG GLU A 20 10.080 -13.347 -2.831 1.00 0.00 C ATOM 330 CD GLU A 20 11.208 -14.338 -2.970 1.00 0.00 C ATOM 331 OE1 GLU A 20 12.382 -13.916 -2.997 1.00 0.00 O ATOM 332 OE2 GLU A 20 10.918 -15.549 -3.056 1.00 0.00 O ATOM 0 H GLU A 20 8.463 -12.701 0.922 1.00 0.00 H new ATOM 0 HA GLU A 20 8.228 -11.594 -1.814 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.540 -12.211 -1.082 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.985 -13.841 -0.755 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.173 -13.770 -3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.316 -12.449 -3.402 1.00 0.00 H new ATOM 339 N ASN A 21 6.539 -13.291 -2.436 1.00 0.00 N ATOM 340 CA ASN A 21 5.511 -14.250 -2.814 1.00 0.00 C ATOM 341 C ASN A 21 5.750 -14.755 -4.231 1.00 0.00 C ATOM 342 O ASN A 21 6.605 -14.233 -4.946 1.00 0.00 O ATOM 343 CB ASN A 21 4.114 -13.625 -2.700 1.00 0.00 C ATOM 344 CG ASN A 21 3.923 -12.429 -3.619 1.00 0.00 C ATOM 345 OD1 ASN A 21 4.236 -11.299 -3.251 1.00 0.00 O ATOM 346 ND2 ASN A 21 3.376 -12.664 -4.803 1.00 0.00 N ATOM 0 H ASN A 21 6.536 -12.432 -2.986 1.00 0.00 H new ATOM 0 HA ASN A 21 5.565 -15.095 -2.128 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.364 -14.380 -2.934 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.943 -13.315 -1.669 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.201 -11.892 -5.446 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.130 -13.617 -5.071 1.00 0.00 H new ATOM 353 N GLU A 22 5.007 -15.792 -4.613 1.00 0.00 N ATOM 354 CA GLU A 22 5.052 -16.350 -5.963 1.00 0.00 C ATOM 355 C GLU A 22 6.467 -16.811 -6.348 1.00 0.00 C ATOM 356 O GLU A 22 6.744 -17.069 -7.520 1.00 0.00 O ATOM 357 CB GLU A 22 4.540 -15.315 -6.970 1.00 0.00 C ATOM 358 CG GLU A 22 4.066 -15.919 -8.278 1.00 0.00 C ATOM 359 CD GLU A 22 2.833 -16.777 -8.096 1.00 0.00 C ATOM 360 OE1 GLU A 22 2.976 -17.972 -7.771 1.00 0.00 O ATOM 361 OE2 GLU A 22 1.713 -16.252 -8.273 1.00 0.00 O ATOM 0 H GLU A 22 4.354 -16.271 -3.992 1.00 0.00 H new ATOM 0 HA GLU A 22 4.407 -17.229 -5.982 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.719 -14.758 -6.519 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.335 -14.599 -7.178 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.850 -15.121 -8.988 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.866 -16.521 -8.709 1.00 0.00 H new ATOM 368 N LYS A 23 7.338 -16.951 -5.345 1.00 0.00 N ATOM 369 CA LYS A 23 8.747 -17.283 -5.556 1.00 0.00 C ATOM 370 C LYS A 23 9.434 -16.243 -6.437 1.00 0.00 C ATOM 371 O LYS A 23 9.351 -16.287 -7.666 1.00 0.00 O ATOM 372 CB LYS A 23 8.907 -18.679 -6.166 1.00 0.00 C ATOM 373 CG LYS A 23 8.476 -19.807 -5.243 1.00 0.00 C ATOM 374 CD LYS A 23 8.616 -21.159 -5.926 1.00 0.00 C ATOM 375 CE LYS A 23 7.706 -21.268 -7.139 1.00 0.00 C ATOM 376 NZ LYS A 23 6.272 -21.215 -6.759 1.00 0.00 N ATOM 0 H LYS A 23 7.085 -16.837 -4.364 1.00 0.00 H new ATOM 0 HA LYS A 23 9.228 -17.279 -4.578 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.324 -18.732 -7.085 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.951 -18.827 -6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.081 -19.790 -4.336 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.440 -19.656 -4.938 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.651 -21.307 -6.232 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.376 -21.952 -5.218 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.928 -20.458 -7.834 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.909 -22.202 -7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.687 -21.493 -7.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.098 -21.867 -5.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.025 -20.247 -6.470 1.00 0.00 H new ATOM 390 N GLY A 24 10.103 -15.299 -5.802 1.00 0.00 N ATOM 391 CA GLY A 24 10.812 -14.276 -6.538 1.00 0.00 C ATOM 392 C GLY A 24 10.101 -12.943 -6.518 1.00 0.00 C ATOM 393 O GLY A 24 10.743 -11.895 -6.473 1.00 0.00 O ATOM 0 H GLY A 24 10.169 -15.221 -4.787 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.810 -14.157 -6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.939 -14.600 -7.571 1.00 0.00 H new ATOM 397 N TRP A 25 8.772 -12.977 -6.533 1.00 0.00 N ATOM 398 CA TRP A 25 7.985 -11.749 -6.566 1.00 0.00 C ATOM 399 C TRP A 25 7.971 -11.103 -5.192 1.00 0.00 C ATOM 400 O TRP A 25 7.182 -11.469 -4.322 1.00 0.00 O ATOM 401 CB TRP A 25 6.557 -12.017 -7.045 1.00 0.00 C ATOM 402 CG TRP A 25 6.478 -12.436 -8.478 1.00 0.00 C ATOM 403 CD1 TRP A 25 6.941 -13.598 -9.021 1.00 0.00 C ATOM 404 CD2 TRP A 25 5.889 -11.695 -9.551 1.00 0.00 C ATOM 405 NE1 TRP A 25 6.684 -13.622 -10.370 1.00 0.00 N ATOM 406 CE2 TRP A 25 6.036 -12.465 -10.719 1.00 0.00 C ATOM 407 CE3 TRP A 25 5.252 -10.451 -9.641 1.00 0.00 C ATOM 408 CZ2 TRP A 25 5.572 -12.037 -11.957 1.00 0.00 C ATOM 409 CZ3 TRP A 25 4.790 -10.028 -10.871 1.00 0.00 C ATOM 410 CH2 TRP A 25 4.952 -10.820 -12.015 1.00 0.00 C ATOM 0 H TRP A 25 8.221 -13.835 -6.523 1.00 0.00 H new ATOM 0 HA TRP A 25 8.451 -11.066 -7.276 1.00 0.00 H new ATOM 0 HB2 TRP A 25 6.113 -12.794 -6.422 1.00 0.00 H new ATOM 0 HB3 TRP A 25 5.960 -11.116 -6.905 1.00 0.00 H new ATOM 0 HD1 TRP A 25 7.437 -14.384 -8.471 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.934 -14.377 -11.008 1.00 0.00 H new ATOM 0 HE3 TRP A 25 5.125 -9.834 -8.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 5.697 -12.644 -12.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.296 -9.071 -10.953 1.00 0.00 H new ATOM 0 HH2 TRP A 25 4.579 -10.462 -12.963 1.00 0.00 H new ATOM 421 N THR A 26 8.856 -10.148 -4.999 1.00 0.00 N ATOM 422 CA THR A 26 9.036 -9.539 -3.701 1.00 0.00 C ATOM 423 C THR A 26 8.193 -8.277 -3.581 1.00 0.00 C ATOM 424 O THR A 26 8.094 -7.494 -4.528 1.00 0.00 O ATOM 425 CB THR A 26 10.522 -9.199 -3.469 1.00 0.00 C ATOM 426 OG1 THR A 26 11.331 -10.310 -3.874 1.00 0.00 O ATOM 427 CG2 THR A 26 10.795 -8.880 -2.004 1.00 0.00 C ATOM 0 H THR A 26 9.464 -9.776 -5.729 1.00 0.00 H new ATOM 0 HA THR A 26 8.712 -10.251 -2.942 1.00 0.00 H new ATOM 0 HB THR A 26 10.768 -8.318 -4.061 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.092 -9.986 -4.399 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.851 -8.645 -1.874 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.192 -8.024 -1.699 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.537 -9.743 -1.390 1.00 0.00 H new ATOM 435 N LYS A 27 7.572 -8.097 -2.423 1.00 0.00 N ATOM 436 CA LYS A 27 6.828 -6.884 -2.139 1.00 0.00 C ATOM 437 C LYS A 27 7.568 -6.047 -1.123 1.00 0.00 C ATOM 438 O LYS A 27 7.914 -6.524 -0.034 1.00 0.00 O ATOM 439 CB LYS A 27 5.418 -7.183 -1.631 1.00 0.00 C ATOM 440 CG LYS A 27 4.504 -7.722 -2.707 1.00 0.00 C ATOM 441 CD LYS A 27 3.045 -7.688 -2.287 1.00 0.00 C ATOM 442 CE LYS A 27 2.806 -8.472 -1.013 1.00 0.00 C ATOM 443 NZ LYS A 27 3.088 -9.921 -1.186 1.00 0.00 N ATOM 0 H LYS A 27 7.571 -8.780 -1.665 1.00 0.00 H new ATOM 0 HA LYS A 27 6.735 -6.332 -3.075 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.477 -7.905 -0.817 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.986 -6.272 -1.218 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.632 -7.137 -3.618 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.789 -8.747 -2.944 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.733 -6.654 -2.141 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.427 -8.097 -3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.437 -8.073 -0.219 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.772 -8.340 -0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.199 -10.458 -1.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.524 -10.081 -2.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.738 -10.240 -0.440 1.00 0.00 H new ATOM 457 N GLU A 28 7.816 -4.809 -1.494 1.00 0.00 N ATOM 458 CA GLU A 28 8.494 -3.872 -0.629 1.00 0.00 C ATOM 459 C GLU A 28 7.857 -2.498 -0.754 1.00 0.00 C ATOM 460 O GLU A 28 7.013 -2.268 -1.623 1.00 0.00 O ATOM 461 CB GLU A 28 9.979 -3.796 -0.987 1.00 0.00 C ATOM 462 CG GLU A 28 10.248 -3.269 -2.387 1.00 0.00 C ATOM 463 CD GLU A 28 11.727 -3.143 -2.683 1.00 0.00 C ATOM 464 OE1 GLU A 28 12.323 -4.125 -3.161 1.00 0.00 O ATOM 465 OE2 GLU A 28 12.303 -2.064 -2.418 1.00 0.00 O ATOM 0 H GLU A 28 7.553 -4.426 -2.402 1.00 0.00 H new ATOM 0 HA GLU A 28 8.401 -4.215 0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.485 -3.155 -0.265 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.417 -4.790 -0.893 1.00 0.00 H new ATOM 0 HG2 GLU A 28 9.790 -3.936 -3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.773 -2.295 -2.503 1.00 0.00 H new ATOM 472 N ILE A 29 8.255 -1.604 0.128 1.00 0.00 N ATOM 473 CA ILE A 29 7.807 -0.225 0.087 1.00 0.00 C ATOM 474 C ILE A 29 9.016 0.679 -0.055 1.00 0.00 C ATOM 475 O ILE A 29 9.909 0.655 0.791 1.00 0.00 O ATOM 476 CB ILE A 29 7.014 0.153 1.358 1.00 0.00 C ATOM 477 CG1 ILE A 29 5.813 -0.782 1.517 1.00 0.00 C ATOM 478 CG2 ILE A 29 6.555 1.606 1.288 1.00 0.00 C ATOM 479 CD1 ILE A 29 5.004 -0.535 2.771 1.00 0.00 C ATOM 0 H ILE A 29 8.897 -1.811 0.893 1.00 0.00 H new ATOM 0 HA ILE A 29 7.139 -0.101 -0.766 1.00 0.00 H new ATOM 0 HB ILE A 29 7.664 0.043 2.226 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.162 -0.672 0.649 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.166 -1.813 1.522 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.998 1.856 2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.424 2.259 1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.914 1.744 0.417 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.171 -1.237 2.811 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.638 -0.674 3.646 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.619 0.485 2.761 1.00 0.00 H new ATOM 491 N ASN A 30 9.066 1.449 -1.126 1.00 0.00 N ATOM 492 CA ASN A 30 10.228 2.283 -1.395 1.00 0.00 C ATOM 493 C ASN A 30 9.837 3.578 -2.096 1.00 0.00 C ATOM 494 O ASN A 30 8.715 3.730 -2.574 1.00 0.00 O ATOM 495 CB ASN A 30 11.244 1.515 -2.249 1.00 0.00 C ATOM 496 CG ASN A 30 10.684 1.091 -3.597 1.00 0.00 C ATOM 497 OD1 ASN A 30 10.080 0.031 -3.724 1.00 0.00 O ATOM 498 ND2 ASN A 30 10.895 1.911 -4.617 1.00 0.00 N ATOM 0 H ASN A 30 8.322 1.516 -1.821 1.00 0.00 H new ATOM 0 HA ASN A 30 10.680 2.541 -0.437 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.124 2.139 -2.407 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.574 0.631 -1.704 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.551 1.669 -5.546 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.402 2.784 -4.473 1.00 0.00 H new ATOM 505 N ARG A 31 10.775 4.515 -2.134 1.00 0.00 N ATOM 506 CA ARG A 31 10.593 5.756 -2.874 1.00 0.00 C ATOM 507 C ARG A 31 11.024 5.566 -4.318 1.00 0.00 C ATOM 508 O ARG A 31 12.017 4.886 -4.587 1.00 0.00 O ATOM 509 CB ARG A 31 11.413 6.890 -2.260 1.00 0.00 C ATOM 510 CG ARG A 31 10.916 7.376 -0.911 1.00 0.00 C ATOM 511 CD ARG A 31 11.726 8.576 -0.446 1.00 0.00 C ATOM 512 NE ARG A 31 11.181 9.191 0.758 1.00 0.00 N ATOM 513 CZ ARG A 31 11.069 10.506 0.937 1.00 0.00 C ATOM 514 NH1 ARG A 31 11.505 11.347 0.008 1.00 0.00 N ATOM 515 NH2 ARG A 31 10.543 10.979 2.056 1.00 0.00 N ATOM 0 H ARG A 31 11.674 4.438 -1.658 1.00 0.00 H new ATOM 0 HA ARG A 31 9.536 6.019 -2.828 1.00 0.00 H new ATOM 0 HB2 ARG A 31 12.445 6.556 -2.153 1.00 0.00 H new ATOM 0 HB3 ARG A 31 11.420 7.731 -2.953 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.862 7.646 -0.981 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.991 6.573 -0.178 1.00 0.00 H new ATOM 0 HD2 ARG A 31 12.753 8.264 -0.257 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.760 9.317 -1.244 1.00 0.00 H new ATOM 0 HE ARG A 31 10.866 8.577 1.509 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.928 10.987 -0.848 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.417 12.353 0.149 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.224 10.336 2.781 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.457 11.986 2.193 1.00 0.00 H new ATOM 529 N VAL A 32 10.283 6.161 -5.237 1.00 0.00 N ATOM 530 CA VAL A 32 10.634 6.112 -6.648 1.00 0.00 C ATOM 531 C VAL A 32 10.684 7.524 -7.227 1.00 0.00 C ATOM 532 O VAL A 32 9.796 8.339 -6.974 1.00 0.00 O ATOM 533 CB VAL A 32 9.628 5.264 -7.459 1.00 0.00 C ATOM 534 CG1 VAL A 32 10.009 5.227 -8.932 1.00 0.00 C ATOM 535 CG2 VAL A 32 9.549 3.849 -6.911 1.00 0.00 C ATOM 0 H VAL A 32 9.432 6.685 -5.032 1.00 0.00 H new ATOM 0 HA VAL A 32 11.616 5.644 -6.723 1.00 0.00 H new ATOM 0 HB VAL A 32 8.649 5.733 -7.364 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.285 4.624 -9.480 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.014 6.241 -9.332 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.002 4.790 -9.040 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.835 3.271 -7.498 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.531 3.380 -6.971 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.224 3.879 -5.871 1.00 0.00 H new ATOM 545 N SER A 33 11.739 7.810 -7.974 1.00 0.00 N ATOM 546 CA SER A 33 11.883 9.095 -8.640 1.00 0.00 C ATOM 547 C SER A 33 11.808 8.914 -10.153 1.00 0.00 C ATOM 548 O SER A 33 12.570 8.141 -10.730 1.00 0.00 O ATOM 549 CB SER A 33 13.218 9.733 -8.253 1.00 0.00 C ATOM 550 OG SER A 33 14.281 8.814 -8.429 1.00 0.00 O ATOM 0 H SER A 33 12.513 7.165 -8.135 1.00 0.00 H new ATOM 0 HA SER A 33 11.071 9.750 -8.325 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.393 10.620 -8.862 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.182 10.061 -7.214 1.00 0.00 H new ATOM 0 HG SER A 33 15.025 9.058 -7.840 1.00 0.00 H new ATOM 556 N PHE A 34 10.879 9.612 -10.794 1.00 0.00 N ATOM 557 CA PHE A 34 10.720 9.508 -12.239 1.00 0.00 C ATOM 558 C PHE A 34 11.432 10.641 -12.964 1.00 0.00 C ATOM 559 O PHE A 34 11.043 11.805 -12.846 1.00 0.00 O ATOM 560 CB PHE A 34 9.238 9.497 -12.620 1.00 0.00 C ATOM 561 CG PHE A 34 8.526 8.224 -12.254 1.00 0.00 C ATOM 562 CD1 PHE A 34 8.576 7.126 -13.098 1.00 0.00 C ATOM 563 CD2 PHE A 34 7.808 8.124 -11.074 1.00 0.00 C ATOM 564 CE1 PHE A 34 7.923 5.954 -12.773 1.00 0.00 C ATOM 565 CE2 PHE A 34 7.153 6.952 -10.742 1.00 0.00 C ATOM 566 CZ PHE A 34 7.212 5.866 -11.592 1.00 0.00 C ATOM 0 H PHE A 34 10.228 10.252 -10.340 1.00 0.00 H new ATOM 0 HA PHE A 34 11.175 8.567 -12.549 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.740 10.334 -12.130 1.00 0.00 H new ATOM 0 HB3 PHE A 34 9.148 9.657 -13.694 1.00 0.00 H new ATOM 0 HD1 PHE A 34 9.133 7.188 -14.021 1.00 0.00 H new ATOM 0 HD2 PHE A 34 7.759 8.971 -10.405 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.968 5.107 -13.441 1.00 0.00 H new ATOM 0 HE2 PHE A 34 6.596 6.887 -9.819 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.703 4.949 -11.334 1.00 0.00 H new ATOM 576 N ASN A 35 12.480 10.276 -13.711 1.00 0.00 N ATOM 577 CA ASN A 35 13.245 11.201 -14.561 1.00 0.00 C ATOM 578 C ASN A 35 14.086 12.174 -13.732 1.00 0.00 C ATOM 579 O ASN A 35 15.311 12.208 -13.859 1.00 0.00 O ATOM 580 CB ASN A 35 12.335 11.969 -15.531 1.00 0.00 C ATOM 581 CG ASN A 35 11.490 11.052 -16.400 1.00 0.00 C ATOM 582 OD1 ASN A 35 11.965 10.503 -17.398 1.00 0.00 O ATOM 583 ND2 ASN A 35 10.219 10.911 -16.054 1.00 0.00 N ATOM 0 H ASN A 35 12.827 9.317 -13.744 1.00 0.00 H new ATOM 0 HA ASN A 35 13.926 10.588 -15.151 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.679 12.628 -14.962 1.00 0.00 H new ATOM 0 HB3 ASN A 35 12.948 12.604 -16.170 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.598 10.333 -16.620 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.862 11.380 -15.222 1.00 0.00 H new ATOM 590 N GLY A 36 13.430 12.968 -12.902 1.00 0.00 N ATOM 591 CA GLY A 36 14.141 13.870 -12.020 1.00 0.00 C ATOM 592 C GLY A 36 14.399 13.228 -10.675 1.00 0.00 C ATOM 593 O GLY A 36 14.929 12.118 -10.602 1.00 0.00 O ATOM 0 H GLY A 36 12.414 13.005 -12.823 1.00 0.00 H new ATOM 0 HA2 GLY A 36 15.088 14.158 -12.476 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.561 14.783 -11.885 1.00 0.00 H new ATOM 597 N ALA A 37 14.014 13.905 -9.606 1.00 0.00 N ATOM 598 CA ALA A 37 14.139 13.336 -8.273 1.00 0.00 C ATOM 599 C ALA A 37 12.879 13.562 -7.421 1.00 0.00 C ATOM 600 O ALA A 37 12.993 13.871 -6.232 1.00 0.00 O ATOM 601 CB ALA A 37 15.361 13.917 -7.572 1.00 0.00 C ATOM 0 H ALA A 37 13.615 14.843 -9.633 1.00 0.00 H new ATOM 0 HA ALA A 37 14.260 12.259 -8.388 1.00 0.00 H new ATOM 0 HB1 ALA A 37 15.448 13.486 -6.575 1.00 0.00 H new ATOM 0 HB2 ALA A 37 16.256 13.682 -8.148 1.00 0.00 H new ATOM 0 HB3 ALA A 37 15.254 14.999 -7.492 1.00 0.00 H new ATOM 607 N PRO A 38 11.653 13.383 -7.976 1.00 0.00 N ATOM 608 CA PRO A 38 10.429 13.520 -7.207 1.00 0.00 C ATOM 609 C PRO A 38 10.090 12.212 -6.509 1.00 0.00 C ATOM 610 O PRO A 38 9.461 11.325 -7.092 1.00 0.00 O ATOM 611 CB PRO A 38 9.365 13.870 -8.264 1.00 0.00 C ATOM 612 CG PRO A 38 10.040 13.733 -9.597 1.00 0.00 C ATOM 613 CD PRO A 38 11.339 13.017 -9.359 1.00 0.00 C ATOM 0 HA PRO A 38 10.502 14.273 -6.423 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.508 13.200 -8.191 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.991 14.883 -8.119 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.413 13.174 -10.291 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.215 14.712 -10.043 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.236 11.939 -9.480 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.115 13.343 -10.051 1.00 0.00 H new ATOM 621 N ALA A 39 10.543 12.084 -5.274 1.00 0.00 N ATOM 622 CA ALA A 39 10.441 10.832 -4.551 1.00 0.00 C ATOM 623 C ALA A 39 9.063 10.638 -3.940 1.00 0.00 C ATOM 624 O ALA A 39 8.751 11.199 -2.888 1.00 0.00 O ATOM 625 CB ALA A 39 11.512 10.760 -3.473 1.00 0.00 C ATOM 0 H ALA A 39 10.987 12.838 -4.750 1.00 0.00 H new ATOM 0 HA ALA A 39 10.596 10.025 -5.267 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.425 9.815 -2.937 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.497 10.826 -3.934 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.382 11.587 -2.775 1.00 0.00 H new ATOM 631 N LYS A 40 8.233 9.856 -4.611 1.00 0.00 N ATOM 632 CA LYS A 40 6.965 9.446 -4.039 1.00 0.00 C ATOM 633 C LYS A 40 7.080 8.019 -3.527 1.00 0.00 C ATOM 634 O LYS A 40 8.105 7.365 -3.727 1.00 0.00 O ATOM 635 CB LYS A 40 5.815 9.569 -5.048 1.00 0.00 C ATOM 636 CG LYS A 40 5.427 11.009 -5.358 1.00 0.00 C ATOM 637 CD LYS A 40 4.013 11.106 -5.910 1.00 0.00 C ATOM 638 CE LYS A 40 3.609 12.554 -6.132 1.00 0.00 C ATOM 639 NZ LYS A 40 2.152 12.701 -6.408 1.00 0.00 N ATOM 0 H LYS A 40 8.415 9.495 -5.547 1.00 0.00 H new ATOM 0 HA LYS A 40 6.732 10.114 -3.210 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.101 9.071 -5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.944 9.042 -4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.506 11.610 -4.452 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.129 11.427 -6.080 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.949 10.559 -6.851 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.316 10.633 -5.218 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.870 13.140 -5.251 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.177 12.963 -6.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.937 13.696 -6.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.892 12.110 -7.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.609 12.399 -5.574 1.00 0.00 H new ATOM 653 N PHE A 41 6.038 7.542 -2.874 1.00 0.00 N ATOM 654 CA PHE A 41 6.076 6.236 -2.242 1.00 0.00 C ATOM 655 C PHE A 41 5.379 5.202 -3.109 1.00 0.00 C ATOM 656 O PHE A 41 4.226 5.384 -3.500 1.00 0.00 O ATOM 657 CB PHE A 41 5.414 6.300 -0.869 1.00 0.00 C ATOM 658 CG PHE A 41 5.990 7.364 0.022 1.00 0.00 C ATOM 659 CD1 PHE A 41 7.178 7.152 0.702 1.00 0.00 C ATOM 660 CD2 PHE A 41 5.345 8.580 0.175 1.00 0.00 C ATOM 661 CE1 PHE A 41 7.710 8.131 1.518 1.00 0.00 C ATOM 662 CE2 PHE A 41 5.870 9.564 0.990 1.00 0.00 C ATOM 663 CZ PHE A 41 7.056 9.338 1.661 1.00 0.00 C ATOM 0 H PHE A 41 5.154 8.039 -2.767 1.00 0.00 H new ATOM 0 HA PHE A 41 7.118 5.940 -2.121 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.347 6.482 -0.996 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.516 5.332 -0.379 1.00 0.00 H new ATOM 0 HD1 PHE A 41 7.694 6.210 0.593 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.419 8.761 -0.350 1.00 0.00 H new ATOM 0 HE1 PHE A 41 8.636 7.952 2.043 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.355 10.507 1.102 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.471 10.105 2.297 1.00 0.00 H new ATOM 673 N ASP A 42 6.078 4.125 -3.411 1.00 0.00 N ATOM 674 CA ASP A 42 5.518 3.068 -4.236 1.00 0.00 C ATOM 675 C ASP A 42 5.598 1.737 -3.508 1.00 0.00 C ATOM 676 O ASP A 42 6.660 1.345 -3.018 1.00 0.00 O ATOM 677 CB ASP A 42 6.264 2.979 -5.569 1.00 0.00 C ATOM 678 CG ASP A 42 5.601 2.040 -6.559 1.00 0.00 C ATOM 679 OD1 ASP A 42 5.863 0.822 -6.510 1.00 0.00 O ATOM 680 OD2 ASP A 42 4.828 2.521 -7.411 1.00 0.00 O ATOM 0 H ASP A 42 7.034 3.957 -3.098 1.00 0.00 H new ATOM 0 HA ASP A 42 4.472 3.302 -4.435 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.330 3.974 -6.009 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.285 2.643 -5.386 1.00 0.00 H new ATOM 685 N ILE A 43 4.463 1.072 -3.400 1.00 0.00 N ATOM 686 CA ILE A 43 4.415 -0.273 -2.855 1.00 0.00 C ATOM 687 C ILE A 43 4.376 -1.253 -4.013 1.00 0.00 C ATOM 688 O ILE A 43 3.345 -1.401 -4.673 1.00 0.00 O ATOM 689 CB ILE A 43 3.183 -0.482 -1.948 1.00 0.00 C ATOM 690 CG1 ILE A 43 3.141 0.595 -0.860 1.00 0.00 C ATOM 691 CG2 ILE A 43 3.208 -1.873 -1.325 1.00 0.00 C ATOM 692 CD1 ILE A 43 1.893 0.554 -0.003 1.00 0.00 C ATOM 0 H ILE A 43 3.557 1.444 -3.684 1.00 0.00 H new ATOM 0 HA ILE A 43 5.299 -0.435 -2.239 1.00 0.00 H new ATOM 0 HB ILE A 43 2.283 -0.397 -2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.015 0.483 -0.218 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.215 1.576 -1.330 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.332 -2.003 -0.689 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.198 -2.625 -2.114 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.112 -1.987 -0.726 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.938 1.347 0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.015 0.697 -0.632 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.827 -0.412 0.497 1.00 0.00 H new ATOM 704 N ARG A 44 5.499 -1.901 -4.267 1.00 0.00 N ATOM 705 CA ARG A 44 5.674 -2.652 -5.499 1.00 0.00 C ATOM 706 C ARG A 44 5.906 -4.136 -5.249 1.00 0.00 C ATOM 707 O ARG A 44 6.553 -4.528 -4.276 1.00 0.00 O ATOM 708 CB ARG A 44 6.854 -2.073 -6.283 1.00 0.00 C ATOM 709 CG ARG A 44 6.974 -2.604 -7.703 1.00 0.00 C ATOM 710 CD ARG A 44 5.736 -2.273 -8.525 1.00 0.00 C ATOM 711 NE ARG A 44 5.479 -0.834 -8.574 1.00 0.00 N ATOM 712 CZ ARG A 44 5.112 -0.181 -9.673 1.00 0.00 C ATOM 713 NH1 ARG A 44 4.967 -0.834 -10.818 1.00 0.00 N ATOM 714 NH2 ARG A 44 4.882 1.121 -9.626 1.00 0.00 N ATOM 0 H ARG A 44 6.302 -1.923 -3.639 1.00 0.00 H new ATOM 0 HA ARG A 44 4.752 -2.561 -6.073 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.756 -0.988 -6.319 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.777 -2.292 -5.745 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.855 -2.175 -8.180 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.119 -3.684 -7.678 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.862 -2.653 -9.539 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.871 -2.781 -8.099 1.00 0.00 H new ATOM 0 HE ARG A 44 5.588 -0.299 -7.713 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.137 -1.839 -10.857 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.685 -0.331 -11.660 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.986 1.626 -8.746 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.601 1.620 -10.470 1.00 0.00 H new ATOM 728 N ALA A 45 5.345 -4.950 -6.132 1.00 0.00 N ATOM 729 CA ALA A 45 5.652 -6.368 -6.189 1.00 0.00 C ATOM 730 C ALA A 45 6.425 -6.653 -7.467 1.00 0.00 C ATOM 731 O ALA A 45 5.859 -6.620 -8.561 1.00 0.00 O ATOM 732 CB ALA A 45 4.376 -7.196 -6.142 1.00 0.00 C ATOM 0 H ALA A 45 4.665 -4.644 -6.828 1.00 0.00 H new ATOM 0 HA ALA A 45 6.259 -6.643 -5.326 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.628 -8.256 -6.186 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.841 -6.988 -5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.743 -6.938 -6.991 1.00 0.00 H new ATOM 738 N TRP A 46 7.718 -6.898 -7.342 1.00 0.00 N ATOM 739 CA TRP A 46 8.558 -7.082 -8.516 1.00 0.00 C ATOM 740 C TRP A 46 8.992 -8.532 -8.674 1.00 0.00 C ATOM 741 O TRP A 46 9.244 -9.231 -7.692 1.00 0.00 O ATOM 742 CB TRP A 46 9.778 -6.147 -8.481 1.00 0.00 C ATOM 743 CG TRP A 46 10.573 -6.183 -7.203 1.00 0.00 C ATOM 744 CD1 TRP A 46 10.403 -5.376 -6.116 1.00 0.00 C ATOM 745 CD2 TRP A 46 11.673 -7.048 -6.888 1.00 0.00 C ATOM 746 NE1 TRP A 46 11.327 -5.685 -5.149 1.00 0.00 N ATOM 747 CE2 TRP A 46 12.115 -6.707 -5.595 1.00 0.00 C ATOM 748 CE3 TRP A 46 12.328 -8.079 -7.570 1.00 0.00 C ATOM 749 CZ2 TRP A 46 13.176 -7.359 -4.972 1.00 0.00 C ATOM 750 CZ3 TRP A 46 13.383 -8.724 -6.950 1.00 0.00 C ATOM 751 CH2 TRP A 46 13.796 -8.361 -5.661 1.00 0.00 C ATOM 0 H TRP A 46 8.206 -6.974 -6.450 1.00 0.00 H new ATOM 0 HA TRP A 46 7.956 -6.820 -9.386 1.00 0.00 H new ATOM 0 HB2 TRP A 46 10.438 -6.405 -9.309 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.438 -5.125 -8.651 1.00 0.00 H new ATOM 0 HD1 TRP A 46 9.651 -4.606 -6.029 1.00 0.00 H new ATOM 0 HE1 TRP A 46 11.411 -5.225 -4.243 1.00 0.00 H new ATOM 0 HE3 TRP A 46 12.015 -8.366 -8.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 13.497 -7.082 -3.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 13.897 -9.520 -7.468 1.00 0.00 H new ATOM 0 HH2 TRP A 46 14.622 -8.885 -5.203 1.00 0.00 H new ATOM 762 N SER A 47 9.054 -8.972 -9.925 1.00 0.00 N ATOM 763 CA SER A 47 9.482 -10.316 -10.260 1.00 0.00 C ATOM 764 C SER A 47 11.000 -10.435 -10.147 1.00 0.00 C ATOM 765 O SER A 47 11.703 -9.426 -10.186 1.00 0.00 O ATOM 766 CB SER A 47 9.011 -10.652 -11.679 1.00 0.00 C ATOM 767 OG SER A 47 9.234 -9.562 -12.559 1.00 0.00 O ATOM 0 H SER A 47 8.807 -8.402 -10.734 1.00 0.00 H new ATOM 0 HA SER A 47 9.041 -11.026 -9.560 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.541 -11.532 -12.043 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.950 -10.901 -11.665 1.00 0.00 H new ATOM 0 HG SER A 47 8.927 -9.800 -13.459 1.00 0.00 H new ATOM 877 N LYS A 55 2.571 -5.554 -10.389 1.00 0.00 N ATOM 878 CA LYS A 55 1.577 -4.603 -9.925 1.00 0.00 C ATOM 879 C LYS A 55 2.012 -3.939 -8.624 1.00 0.00 C ATOM 880 O LYS A 55 2.732 -4.525 -7.815 1.00 0.00 O ATOM 881 CB LYS A 55 0.195 -5.254 -9.763 1.00 0.00 C ATOM 882 CG LYS A 55 0.083 -6.280 -8.642 1.00 0.00 C ATOM 883 CD LYS A 55 -1.356 -6.767 -8.500 1.00 0.00 C ATOM 884 CE LYS A 55 -1.557 -7.598 -7.242 1.00 0.00 C ATOM 885 NZ LYS A 55 -2.994 -7.944 -7.024 1.00 0.00 N ATOM 0 HA LYS A 55 1.493 -3.832 -10.691 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.540 -4.468 -9.588 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.073 -5.737 -10.703 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.740 -7.125 -8.849 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.417 -5.839 -7.703 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.028 -5.909 -8.479 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.625 -7.361 -9.373 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.971 -8.514 -7.315 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.182 -7.047 -6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.211 -7.902 -6.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.596 -7.267 -7.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.177 -8.905 -7.378 1.00 0.00 H new ATOM 899 N GLY A 56 1.580 -2.703 -8.455 1.00 0.00 N ATOM 900 CA GLY A 56 1.904 -1.944 -7.273 1.00 0.00 C ATOM 901 C GLY A 56 0.994 -0.748 -7.146 1.00 0.00 C ATOM 902 O GLY A 56 0.038 -0.620 -7.915 1.00 0.00 O ATOM 0 H GLY A 56 1.000 -2.205 -9.130 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.808 -2.576 -6.390 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.942 -1.615 -7.318 1.00 0.00 H new ATOM 906 N ILE A 57 1.276 0.130 -6.200 1.00 0.00 N ATOM 907 CA ILE A 57 0.454 1.311 -6.006 1.00 0.00 C ATOM 908 C ILE A 57 1.316 2.534 -5.693 1.00 0.00 C ATOM 909 O ILE A 57 2.187 2.492 -4.818 1.00 0.00 O ATOM 910 CB ILE A 57 -0.604 1.095 -4.893 1.00 0.00 C ATOM 911 CG1 ILE A 57 -1.563 2.288 -4.822 1.00 0.00 C ATOM 912 CG2 ILE A 57 0.054 0.854 -3.540 1.00 0.00 C ATOM 913 CD1 ILE A 57 -2.381 2.484 -6.079 1.00 0.00 C ATOM 0 H ILE A 57 2.064 0.049 -5.557 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.077 1.492 -6.941 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.177 0.203 -5.147 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.238 2.151 -3.977 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.989 3.194 -4.627 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.716 0.706 -2.782 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.684 -0.034 -3.595 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.665 1.717 -3.274 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.037 3.346 -5.956 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.714 2.653 -6.924 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.983 1.594 -6.264 1.00 0.00 H new ATOM 925 N THR A 58 1.081 3.604 -6.434 1.00 0.00 N ATOM 926 CA THR A 58 1.789 4.855 -6.235 1.00 0.00 C ATOM 927 C THR A 58 1.038 5.749 -5.257 1.00 0.00 C ATOM 928 O THR A 58 -0.108 6.133 -5.506 1.00 0.00 O ATOM 929 CB THR A 58 1.972 5.594 -7.576 1.00 0.00 C ATOM 930 OG1 THR A 58 0.759 5.520 -8.345 1.00 0.00 O ATOM 931 CG2 THR A 58 3.120 5.005 -8.379 1.00 0.00 C ATOM 0 H THR A 58 0.395 3.629 -7.189 1.00 0.00 H new ATOM 0 HA THR A 58 2.770 4.623 -5.820 1.00 0.00 H new ATOM 0 HB THR A 58 2.207 6.636 -7.357 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.010 5.682 -7.759 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.223 5.548 -9.319 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.045 5.090 -7.808 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.917 3.955 -8.587 1.00 0.00 H new ATOM 939 N LEU A 59 1.675 6.072 -4.140 1.00 0.00 N ATOM 940 CA LEU A 59 1.052 6.899 -3.120 1.00 0.00 C ATOM 941 C LEU A 59 1.870 8.154 -2.861 1.00 0.00 C ATOM 942 O LEU A 59 3.097 8.105 -2.743 1.00 0.00 O ATOM 943 CB LEU A 59 0.888 6.107 -1.818 1.00 0.00 C ATOM 944 CG LEU A 59 -0.026 4.884 -1.909 1.00 0.00 C ATOM 945 CD1 LEU A 59 -0.077 4.159 -0.576 1.00 0.00 C ATOM 946 CD2 LEU A 59 -1.424 5.294 -2.342 1.00 0.00 C ATOM 0 H LEU A 59 2.625 5.773 -3.918 1.00 0.00 H new ATOM 0 HA LEU A 59 0.069 7.197 -3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.873 5.780 -1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.497 6.776 -1.051 1.00 0.00 H new ATOM 0 HG LEU A 59 0.382 4.205 -2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.732 3.291 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.926 3.832 -0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.462 4.832 0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.060 4.411 -2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.840 5.993 -1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.376 5.773 -3.320 1.00 0.00 H new ATOM 958 N SER A 60 1.186 9.280 -2.793 1.00 0.00 N ATOM 959 CA SER A 60 1.823 10.544 -2.474 1.00 0.00 C ATOM 960 C SER A 60 1.956 10.689 -0.958 1.00 0.00 C ATOM 961 O SER A 60 1.325 9.941 -0.213 1.00 0.00 O ATOM 962 CB SER A 60 0.991 11.684 -3.055 1.00 0.00 C ATOM 963 OG SER A 60 0.667 11.424 -4.412 1.00 0.00 O ATOM 0 H SER A 60 0.181 9.345 -2.956 1.00 0.00 H new ATOM 0 HA SER A 60 2.822 10.577 -2.909 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.077 11.807 -2.474 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.544 12.620 -2.980 1.00 0.00 H new ATOM 0 HG SER A 60 -0.070 10.779 -4.455 1.00 0.00 H new ATOM 969 N ASN A 61 2.761 11.650 -0.504 1.00 0.00 N ATOM 970 CA ASN A 61 2.972 11.872 0.935 1.00 0.00 C ATOM 971 C ASN A 61 1.645 12.095 1.653 1.00 0.00 C ATOM 972 O ASN A 61 1.451 11.656 2.786 1.00 0.00 O ATOM 973 CB ASN A 61 3.908 13.070 1.184 1.00 0.00 C ATOM 974 CG ASN A 61 3.369 14.388 0.639 1.00 0.00 C ATOM 975 OD1 ASN A 61 2.712 14.425 -0.403 1.00 0.00 O ATOM 976 ND2 ASN A 61 3.633 15.481 1.342 1.00 0.00 N ATOM 0 H ASN A 61 3.279 12.289 -1.107 1.00 0.00 H new ATOM 0 HA ASN A 61 3.443 10.975 1.336 1.00 0.00 H new ATOM 0 HB2 ASN A 61 4.077 13.172 2.256 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.876 12.866 0.726 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.289 16.387 1.024 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.180 15.415 2.200 1.00 0.00 H new ATOM 983 N GLU A 62 0.736 12.775 0.971 1.00 0.00 N ATOM 984 CA GLU A 62 -0.605 13.021 1.478 1.00 0.00 C ATOM 985 C GLU A 62 -1.339 11.703 1.742 1.00 0.00 C ATOM 986 O GLU A 62 -1.811 11.447 2.853 1.00 0.00 O ATOM 987 CB GLU A 62 -1.367 13.863 0.457 1.00 0.00 C ATOM 988 CG GLU A 62 -2.816 14.136 0.812 1.00 0.00 C ATOM 989 CD GLU A 62 -3.486 15.011 -0.223 1.00 0.00 C ATOM 990 OE1 GLU A 62 -3.903 14.485 -1.271 1.00 0.00 O ATOM 991 OE2 GLU A 62 -3.573 16.238 -0.001 1.00 0.00 O ATOM 0 H GLU A 62 0.908 13.173 0.048 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.542 13.557 2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.852 14.816 0.336 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.333 13.357 -0.508 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.355 13.192 0.896 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.868 14.620 1.787 1.00 0.00 H new ATOM 998 N GLU A 63 -1.398 10.862 0.718 1.00 0.00 N ATOM 999 CA GLU A 63 -2.101 9.587 0.793 1.00 0.00 C ATOM 1000 C GLU A 63 -1.400 8.639 1.760 1.00 0.00 C ATOM 1001 O GLU A 63 -2.044 7.910 2.519 1.00 0.00 O ATOM 1002 CB GLU A 63 -2.162 8.962 -0.604 1.00 0.00 C ATOM 1003 CG GLU A 63 -2.716 9.906 -1.660 1.00 0.00 C ATOM 1004 CD GLU A 63 -2.545 9.380 -3.069 1.00 0.00 C ATOM 1005 OE1 GLU A 63 -1.429 9.511 -3.622 1.00 0.00 O ATOM 1006 OE2 GLU A 63 -3.521 8.847 -3.631 1.00 0.00 O ATOM 0 H GLU A 63 -0.961 11.043 -0.186 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.112 9.761 1.162 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.161 8.646 -0.898 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.781 8.065 -0.567 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.775 10.077 -1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.217 10.871 -1.575 1.00 0.00 H new ATOM 1013 N PHE A 64 -0.074 8.679 1.734 1.00 0.00 N ATOM 1014 CA PHE A 64 0.752 7.813 2.561 1.00 0.00 C ATOM 1015 C PHE A 64 0.494 8.070 4.045 1.00 0.00 C ATOM 1016 O PHE A 64 0.169 7.149 4.790 1.00 0.00 O ATOM 1017 CB PHE A 64 2.229 8.049 2.230 1.00 0.00 C ATOM 1018 CG PHE A 64 3.098 6.835 2.390 1.00 0.00 C ATOM 1019 CD1 PHE A 64 2.907 5.724 1.584 1.00 0.00 C ATOM 1020 CD2 PHE A 64 4.114 6.805 3.334 1.00 0.00 C ATOM 1021 CE1 PHE A 64 3.710 4.609 1.716 1.00 0.00 C ATOM 1022 CE2 PHE A 64 4.921 5.693 3.466 1.00 0.00 C ATOM 1023 CZ PHE A 64 4.718 4.594 2.657 1.00 0.00 C ATOM 0 H PHE A 64 0.458 9.313 1.138 1.00 0.00 H new ATOM 0 HA PHE A 64 0.495 6.775 2.350 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.307 8.405 1.203 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.611 8.843 2.872 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.121 5.731 0.844 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.275 7.661 3.973 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.549 3.749 1.083 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.711 5.683 4.202 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.348 3.723 2.761 1.00 0.00 H new ATOM 1033 N GLN A 65 0.613 9.330 4.462 1.00 0.00 N ATOM 1034 CA GLN A 65 0.396 9.703 5.858 1.00 0.00 C ATOM 1035 C GLN A 65 -1.017 9.336 6.304 1.00 0.00 C ATOM 1036 O GLN A 65 -1.224 8.891 7.435 1.00 0.00 O ATOM 1037 CB GLN A 65 0.614 11.206 6.050 1.00 0.00 C ATOM 1038 CG GLN A 65 0.463 11.662 7.494 1.00 0.00 C ATOM 1039 CD GLN A 65 1.641 11.266 8.363 1.00 0.00 C ATOM 1040 OE1 GLN A 65 2.785 11.222 7.905 1.00 0.00 O ATOM 1041 NE2 GLN A 65 1.374 10.945 9.618 1.00 0.00 N ATOM 0 H GLN A 65 0.859 10.110 3.852 1.00 0.00 H new ATOM 0 HA GLN A 65 1.114 9.153 6.466 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.611 11.468 5.697 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.097 11.750 5.429 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.348 12.746 7.518 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.449 11.236 7.911 1.00 0.00 H new ATOM 0 HE21 GLN A 65 0.416 10.993 9.964 1.00 0.00 H new ATOM 0 HE22 GLN A 65 2.127 10.650 10.240 1.00 0.00 H new ATOM 1050 N THR A 66 -1.975 9.518 5.403 1.00 0.00 N ATOM 1051 CA THR A 66 -3.375 9.239 5.693 1.00 0.00 C ATOM 1052 C THR A 66 -3.575 7.797 6.168 1.00 0.00 C ATOM 1053 O THR A 66 -4.196 7.556 7.208 1.00 0.00 O ATOM 1054 CB THR A 66 -4.256 9.515 4.455 1.00 0.00 C ATOM 1055 OG1 THR A 66 -4.157 10.901 4.090 1.00 0.00 O ATOM 1056 CG2 THR A 66 -5.713 9.162 4.717 1.00 0.00 C ATOM 0 H THR A 66 -1.805 9.861 4.458 1.00 0.00 H new ATOM 0 HA THR A 66 -3.679 9.906 6.500 1.00 0.00 H new ATOM 0 HB THR A 66 -3.896 8.887 3.640 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.278 11.072 3.691 1.00 0.00 H new ATOM 0 HG21 THR A 66 -6.304 9.369 3.825 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.792 8.104 4.967 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.089 9.760 5.547 1.00 0.00 H new ATOM 1064 N MET A 67 -3.029 6.837 5.426 1.00 0.00 N ATOM 1065 CA MET A 67 -3.173 5.435 5.796 1.00 0.00 C ATOM 1066 C MET A 67 -2.417 5.149 7.089 1.00 0.00 C ATOM 1067 O MET A 67 -2.882 4.390 7.935 1.00 0.00 O ATOM 1068 CB MET A 67 -2.680 4.506 4.677 1.00 0.00 C ATOM 1069 CG MET A 67 -1.167 4.430 4.549 1.00 0.00 C ATOM 1070 SD MET A 67 -0.618 3.230 3.325 1.00 0.00 S ATOM 1071 CE MET A 67 1.148 3.261 3.620 1.00 0.00 C ATOM 0 H MET A 67 -2.490 7.002 4.576 1.00 0.00 H new ATOM 0 HA MET A 67 -4.234 5.238 5.952 1.00 0.00 H new ATOM 0 HB2 MET A 67 -3.069 3.503 4.855 1.00 0.00 H new ATOM 0 HB3 MET A 67 -3.097 4.846 3.729 1.00 0.00 H new ATOM 0 HG2 MET A 67 -0.782 5.414 4.282 1.00 0.00 H new ATOM 0 HG3 MET A 67 -0.739 4.172 5.518 1.00 0.00 H new ATOM 0 HE1 MET A 67 1.664 2.771 2.794 1.00 0.00 H new ATOM 0 HE2 MET A 67 1.486 4.294 3.697 1.00 0.00 H new ATOM 0 HE3 MET A 67 1.371 2.736 4.549 1.00 0.00 H new ATOM 1081 N VAL A 68 -1.267 5.798 7.250 1.00 0.00 N ATOM 1082 CA VAL A 68 -0.409 5.574 8.404 1.00 0.00 C ATOM 1083 C VAL A 68 -1.141 5.888 9.706 1.00 0.00 C ATOM 1084 O VAL A 68 -1.149 5.078 10.632 1.00 0.00 O ATOM 1085 CB VAL A 68 0.883 6.415 8.310 1.00 0.00 C ATOM 1086 CG1 VAL A 68 1.687 6.326 9.595 1.00 0.00 C ATOM 1087 CG2 VAL A 68 1.723 5.954 7.128 1.00 0.00 C ATOM 0 H VAL A 68 -0.908 6.487 6.589 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.137 4.518 8.405 1.00 0.00 H new ATOM 0 HB VAL A 68 0.601 7.457 8.160 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.591 6.927 9.501 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.088 6.699 10.426 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.960 5.287 9.782 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.631 6.554 7.071 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.988 4.905 7.257 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.152 6.073 6.207 1.00 0.00 H new ATOM 1097 N ASP A 69 -1.763 7.059 9.771 1.00 0.00 N ATOM 1098 CA ASP A 69 -2.510 7.464 10.960 1.00 0.00 C ATOM 1099 C ASP A 69 -3.688 6.534 11.223 1.00 0.00 C ATOM 1100 O ASP A 69 -3.931 6.124 12.366 1.00 0.00 O ATOM 1101 CB ASP A 69 -2.995 8.908 10.827 1.00 0.00 C ATOM 1102 CG ASP A 69 -2.000 9.904 11.387 1.00 0.00 C ATOM 1103 OD1 ASP A 69 -0.807 9.849 11.014 1.00 0.00 O ATOM 1104 OD2 ASP A 69 -2.399 10.733 12.230 1.00 0.00 O ATOM 0 H ASP A 69 -1.766 7.745 9.017 1.00 0.00 H new ATOM 0 HA ASP A 69 -1.833 7.397 11.811 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.177 9.132 9.776 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.947 9.018 11.346 1.00 0.00 H new ATOM 1109 N ALA A 70 -4.409 6.184 10.169 1.00 0.00 N ATOM 1110 CA ALA A 70 -5.551 5.293 10.296 1.00 0.00 C ATOM 1111 C ALA A 70 -5.131 3.939 10.857 1.00 0.00 C ATOM 1112 O ALA A 70 -5.811 3.375 11.712 1.00 0.00 O ATOM 1113 CB ALA A 70 -6.238 5.118 8.954 1.00 0.00 C ATOM 0 H ALA A 70 -4.224 6.503 9.218 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.255 5.745 10.995 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.091 4.448 9.066 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.583 6.087 8.593 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.535 4.693 8.238 1.00 0.00 H new ATOM 1119 N PHE A 71 -3.994 3.436 10.395 1.00 0.00 N ATOM 1120 CA PHE A 71 -3.529 2.116 10.798 1.00 0.00 C ATOM 1121 C PHE A 71 -2.831 2.147 12.157 1.00 0.00 C ATOM 1122 O PHE A 71 -2.964 1.205 12.939 1.00 0.00 O ATOM 1123 CB PHE A 71 -2.606 1.520 9.734 1.00 0.00 C ATOM 1124 CG PHE A 71 -3.287 1.284 8.417 1.00 0.00 C ATOM 1125 CD1 PHE A 71 -4.610 0.875 8.369 1.00 0.00 C ATOM 1126 CD2 PHE A 71 -2.603 1.470 7.228 1.00 0.00 C ATOM 1127 CE1 PHE A 71 -5.238 0.661 7.159 1.00 0.00 C ATOM 1128 CE2 PHE A 71 -3.227 1.257 6.015 1.00 0.00 C ATOM 1129 CZ PHE A 71 -4.546 0.852 5.982 1.00 0.00 C ATOM 0 H PHE A 71 -3.378 3.921 9.742 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.408 1.479 10.897 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.760 2.190 9.582 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.204 0.576 10.101 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -5.156 0.722 9.288 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.570 1.785 7.249 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.270 0.344 7.134 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.684 1.407 5.094 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.036 0.685 5.034 1.00 0.00 H new ATOM 1139 N LYS A 72 -2.106 3.229 12.452 1.00 0.00 N ATOM 1140 CA LYS A 72 -1.401 3.348 13.733 1.00 0.00 C ATOM 1141 C LYS A 72 -2.395 3.387 14.891 1.00 0.00 C ATOM 1142 O LYS A 72 -2.070 3.021 16.021 1.00 0.00 O ATOM 1143 CB LYS A 72 -0.511 4.604 13.776 1.00 0.00 C ATOM 1144 CG LYS A 72 -1.287 5.915 13.828 1.00 0.00 C ATOM 1145 CD LYS A 72 -0.377 7.136 13.927 1.00 0.00 C ATOM 1146 CE LYS A 72 0.586 7.224 12.754 1.00 0.00 C ATOM 1147 NZ LYS A 72 1.074 8.612 12.531 1.00 0.00 N ATOM 0 H LYS A 72 -1.992 4.028 11.829 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.762 2.471 13.833 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.140 4.545 14.648 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.133 4.610 12.897 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.907 6.001 12.936 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.961 5.899 14.684 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.985 8.040 13.965 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.188 7.093 14.858 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.436 6.566 12.934 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.091 6.865 11.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.108 8.603 12.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.639 8.999 11.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.817 9.206 13.345 1.00 0.00 H new ATOM 1161 N GLY A 73 -3.607 3.838 14.602 1.00 0.00 N ATOM 1162 CA GLY A 73 -4.625 3.908 15.628 1.00 0.00 C ATOM 1163 C GLY A 73 -5.640 2.782 15.545 1.00 0.00 C ATOM 1164 O GLY A 73 -6.666 2.822 16.225 1.00 0.00 O ATOM 0 H GLY A 73 -3.902 4.155 13.679 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -4.146 3.885 16.607 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.145 4.863 15.550 1.00 0.00 H new ATOM 1168 N ASN A 74 -5.361 1.770 14.731 1.00 0.00 N ATOM 1169 CA ASN A 74 -6.310 0.673 14.531 1.00 0.00 C ATOM 1170 C ASN A 74 -5.644 -0.696 14.629 1.00 0.00 C ATOM 1171 O ASN A 74 -6.005 -1.508 15.480 1.00 0.00 O ATOM 1172 CB ASN A 74 -7.010 0.804 13.173 1.00 0.00 C ATOM 1173 CG ASN A 74 -8.406 1.394 13.273 1.00 0.00 C ATOM 1174 OD1 ASN A 74 -9.278 1.097 12.452 1.00 0.00 O ATOM 1175 ND2 ASN A 74 -8.639 2.223 14.276 1.00 0.00 N ATOM 0 H ASN A 74 -4.494 1.683 14.201 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.045 0.746 15.332 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -6.404 1.430 12.518 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -7.071 -0.179 12.707 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.563 2.639 14.389 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.894 2.446 14.936 1.00 0.00 H new ATOM 1182 N LEU A 75 -4.669 -0.946 13.766 1.00 0.00 N ATOM 1183 CA LEU A 75 -4.097 -2.281 13.634 1.00 0.00 C ATOM 1184 C LEU A 75 -2.894 -2.457 14.558 1.00 0.00 C ATOM 1185 O LEU A 75 -2.352 -1.475 15.070 1.00 0.00 O ATOM 1186 CB LEU A 75 -3.693 -2.533 12.178 1.00 0.00 C ATOM 1187 CG LEU A 75 -3.402 -3.994 11.822 1.00 0.00 C ATOM 1188 CD1 LEU A 75 -4.667 -4.831 11.927 1.00 0.00 C ATOM 1189 CD2 LEU A 75 -2.812 -4.096 10.429 1.00 0.00 C ATOM 0 H LEU A 75 -4.258 -0.246 13.149 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.853 -3.010 13.926 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.490 -2.170 11.529 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.806 -1.939 11.956 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.673 -4.381 12.533 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.441 -5.866 11.670 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.050 -4.785 12.946 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.418 -4.443 11.239 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.612 -5.141 10.194 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.518 -3.690 9.704 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.881 -3.530 10.386 1.00 0.00 H new ATOM 1201 N GLU A 76 -2.494 -3.720 14.763 1.00 0.00 N ATOM 1202 CA GLU A 76 -1.373 -4.081 15.632 1.00 0.00 C ATOM 1203 C GLU A 76 -1.808 -3.953 17.091 1.00 0.00 C ATOM 1204 O GLU A 76 -2.041 -4.957 17.761 1.00 0.00 O ATOM 1205 CB GLU A 76 -0.135 -3.224 15.313 1.00 0.00 C ATOM 1206 CG GLU A 76 1.198 -3.910 15.572 1.00 0.00 C ATOM 1207 CD GLU A 76 1.576 -3.943 17.036 1.00 0.00 C ATOM 1208 OE1 GLU A 76 2.097 -2.923 17.536 1.00 0.00 O ATOM 1209 OE2 GLU A 76 1.359 -4.985 17.687 1.00 0.00 O ATOM 0 H GLU A 76 -2.945 -4.523 14.325 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.085 -5.117 15.452 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.177 -2.926 14.265 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.179 -2.311 15.907 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.154 -4.931 15.192 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.979 -3.395 15.013 1.00 0.00 H new ATOM 1451 N THR B 8 -14.085 -14.531 -8.862 1.00 0.00 N ATOM 1452 CA THR B 8 -15.028 -13.648 -8.201 1.00 0.00 C ATOM 1453 C THR B 8 -14.352 -13.015 -6.994 1.00 0.00 C ATOM 1454 O THR B 8 -13.603 -13.681 -6.274 1.00 0.00 O ATOM 1455 CB THR B 8 -16.319 -14.390 -7.763 1.00 0.00 C ATOM 1456 OG1 THR B 8 -17.219 -13.489 -7.100 1.00 0.00 O ATOM 1457 CG2 THR B 8 -16.002 -15.563 -6.845 1.00 0.00 C ATOM 0 HA THR B 8 -15.329 -12.879 -8.912 1.00 0.00 H new ATOM 0 HB THR B 8 -16.795 -14.776 -8.664 1.00 0.00 H new ATOM 0 HG1 THR B 8 -18.028 -13.973 -6.832 1.00 0.00 H new ATOM 0 HG21 THR B 8 -16.928 -16.060 -6.557 1.00 0.00 H new ATOM 0 HG22 THR B 8 -15.358 -16.270 -7.367 1.00 0.00 H new ATOM 0 HG23 THR B 8 -15.493 -15.199 -5.952 1.00 0.00 H new ATOM 1465 N PHE B 9 -14.576 -11.730 -6.800 1.00 0.00 N ATOM 1466 CA PHE B 9 -14.005 -11.024 -5.671 1.00 0.00 C ATOM 1467 C PHE B 9 -14.970 -9.968 -5.173 1.00 0.00 C ATOM 1468 O PHE B 9 -15.664 -9.324 -5.964 1.00 0.00 O ATOM 1469 CB PHE B 9 -12.655 -10.392 -6.048 1.00 0.00 C ATOM 1470 CG PHE B 9 -12.720 -9.415 -7.189 1.00 0.00 C ATOM 1471 CD1 PHE B 9 -12.640 -9.852 -8.502 1.00 0.00 C ATOM 1472 CD2 PHE B 9 -12.853 -8.056 -6.948 1.00 0.00 C ATOM 1473 CE1 PHE B 9 -12.693 -8.956 -9.552 1.00 0.00 C ATOM 1474 CE2 PHE B 9 -12.907 -7.156 -7.994 1.00 0.00 C ATOM 1475 CZ PHE B 9 -12.827 -7.605 -9.299 1.00 0.00 C ATOM 0 H PHE B 9 -15.152 -11.152 -7.412 1.00 0.00 H new ATOM 0 HA PHE B 9 -13.828 -11.740 -4.869 1.00 0.00 H new ATOM 0 HB2 PHE B 9 -12.250 -9.883 -5.173 1.00 0.00 H new ATOM 0 HB3 PHE B 9 -11.956 -11.187 -6.307 1.00 0.00 H new ATOM 0 HD1 PHE B 9 -12.535 -10.907 -8.707 1.00 0.00 H new ATOM 0 HD2 PHE B 9 -12.915 -7.697 -5.931 1.00 0.00 H new ATOM 0 HE1 PHE B 9 -12.630 -9.312 -10.570 1.00 0.00 H new ATOM 0 HE2 PHE B 9 -13.012 -6.100 -7.792 1.00 0.00 H new ATOM 0 HZ PHE B 9 -12.869 -6.902 -10.118 1.00 0.00 H new ATOM 1485 N GLU B 10 -15.031 -9.808 -3.868 1.00 0.00 N ATOM 1486 CA GLU B 10 -15.904 -8.819 -3.270 1.00 0.00 C ATOM 1487 C GLU B 10 -15.171 -8.049 -2.186 1.00 0.00 C ATOM 1488 O GLU B 10 -14.218 -8.550 -1.582 1.00 0.00 O ATOM 1489 CB GLU B 10 -17.174 -9.459 -2.695 1.00 0.00 C ATOM 1490 CG GLU B 10 -16.930 -10.640 -1.762 1.00 0.00 C ATOM 1491 CD GLU B 10 -16.660 -11.937 -2.501 1.00 0.00 C ATOM 1492 OE1 GLU B 10 -17.499 -12.331 -3.338 1.00 0.00 O ATOM 1493 OE2 GLU B 10 -15.624 -12.581 -2.232 1.00 0.00 O ATOM 0 H GLU B 10 -14.485 -10.351 -3.199 1.00 0.00 H new ATOM 0 HA GLU B 10 -16.204 -8.128 -4.058 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -17.735 -8.697 -2.154 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -17.803 -9.791 -3.521 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -16.083 -10.415 -1.115 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -17.798 -10.771 -1.116 1.00 0.00 H new ATOM 1500 N ILE B 11 -15.616 -6.823 -1.957 1.00 0.00 N ATOM 1501 CA ILE B 11 -15.032 -5.978 -0.935 1.00 0.00 C ATOM 1502 C ILE B 11 -15.643 -6.325 0.417 1.00 0.00 C ATOM 1503 O ILE B 11 -16.831 -6.103 0.655 1.00 0.00 O ATOM 1504 CB ILE B 11 -15.231 -4.466 -1.228 1.00 0.00 C ATOM 1505 CG1 ILE B 11 -14.534 -4.049 -2.531 1.00 0.00 C ATOM 1506 CG2 ILE B 11 -14.708 -3.627 -0.071 1.00 0.00 C ATOM 1507 CD1 ILE B 11 -15.263 -4.467 -3.793 1.00 0.00 C ATOM 0 H ILE B 11 -16.385 -6.392 -2.470 1.00 0.00 H new ATOM 0 HA ILE B 11 -13.958 -6.165 -0.927 1.00 0.00 H new ATOM 0 HB ILE B 11 -16.301 -4.292 -1.344 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -14.417 -2.965 -2.536 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -13.532 -4.478 -2.546 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -14.855 -2.570 -0.292 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -15.249 -3.886 0.839 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -13.645 -3.824 0.070 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -14.702 -4.132 -4.665 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -15.357 -5.553 -3.816 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -16.256 -4.017 -3.806 1.00 0.00 H new ATOM 1519 N GLU B 12 -14.835 -6.903 1.283 1.00 0.00 N ATOM 1520 CA GLU B 12 -15.290 -7.311 2.597 1.00 0.00 C ATOM 1521 C GLU B 12 -15.435 -6.113 3.519 1.00 0.00 C ATOM 1522 O GLU B 12 -16.474 -5.922 4.147 1.00 0.00 O ATOM 1523 CB GLU B 12 -14.315 -8.324 3.198 1.00 0.00 C ATOM 1524 CG GLU B 12 -14.425 -9.709 2.585 1.00 0.00 C ATOM 1525 CD GLU B 12 -15.676 -10.436 3.029 1.00 0.00 C ATOM 1526 OE1 GLU B 12 -16.740 -10.238 2.414 1.00 0.00 O ATOM 1527 OE2 GLU B 12 -15.599 -11.212 4.008 1.00 0.00 O ATOM 0 H GLU B 12 -13.852 -7.102 1.098 1.00 0.00 H new ATOM 0 HA GLU B 12 -16.269 -7.778 2.490 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -13.297 -7.958 3.068 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -14.493 -8.395 4.271 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -14.423 -9.624 1.498 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -13.549 -10.296 2.860 1.00 0.00 H new ATOM 1534 N GLU B 13 -14.402 -5.291 3.578 1.00 0.00 N ATOM 1535 CA GLU B 13 -14.390 -4.173 4.502 1.00 0.00 C ATOM 1536 C GLU B 13 -13.562 -3.023 3.946 1.00 0.00 C ATOM 1537 O GLU B 13 -12.363 -3.172 3.710 1.00 0.00 O ATOM 1538 CB GLU B 13 -13.825 -4.630 5.849 1.00 0.00 C ATOM 1539 CG GLU B 13 -13.974 -3.606 6.961 1.00 0.00 C ATOM 1540 CD GLU B 13 -13.383 -4.089 8.269 1.00 0.00 C ATOM 1541 OE1 GLU B 13 -13.991 -4.974 8.910 1.00 0.00 O ATOM 1542 OE2 GLU B 13 -12.307 -3.593 8.656 1.00 0.00 O ATOM 0 H GLU B 13 -13.566 -5.376 3.000 1.00 0.00 H new ATOM 0 HA GLU B 13 -15.412 -3.819 4.640 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -14.326 -5.551 6.148 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -12.768 -4.867 5.727 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -13.486 -2.678 6.665 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -15.030 -3.379 7.104 1.00 0.00 H new ATOM 1549 N HIS B 14 -14.210 -1.894 3.715 1.00 0.00 N ATOM 1550 CA HIS B 14 -13.522 -0.687 3.285 1.00 0.00 C ATOM 1551 C HIS B 14 -12.858 -0.024 4.488 1.00 0.00 C ATOM 1552 O HIS B 14 -13.538 0.529 5.350 1.00 0.00 O ATOM 1553 CB HIS B 14 -14.528 0.256 2.600 1.00 0.00 C ATOM 1554 CG HIS B 14 -14.047 1.665 2.392 1.00 0.00 C ATOM 1555 ND1 HIS B 14 -13.267 2.056 1.326 1.00 0.00 N ATOM 1556 CD2 HIS B 14 -14.280 2.785 3.113 1.00 0.00 C ATOM 1557 CE1 HIS B 14 -13.038 3.354 1.406 1.00 0.00 C ATOM 1558 NE2 HIS B 14 -13.642 3.823 2.482 1.00 0.00 N ATOM 0 H HIS B 14 -15.219 -1.787 3.819 1.00 0.00 H new ATOM 0 HA HIS B 14 -12.742 -0.932 2.564 1.00 0.00 H new ATOM 0 HB2 HIS B 14 -14.795 -0.166 1.631 1.00 0.00 H new ATOM 0 HB3 HIS B 14 -15.439 0.285 3.198 1.00 0.00 H new ATOM 0 HD1 HIS B 14 -12.921 1.440 0.591 1.00 0.00 H new ATOM 0 HD2 HIS B 14 -14.862 2.851 4.020 1.00 0.00 H new ATOM 0 HE1 HIS B 14 -12.454 3.935 0.708 1.00 0.00 H new ATOM 1567 N LEU B 15 -11.533 -0.107 4.552 1.00 0.00 N ATOM 1568 CA LEU B 15 -10.788 0.439 5.681 1.00 0.00 C ATOM 1569 C LEU B 15 -10.912 1.954 5.718 1.00 0.00 C ATOM 1570 O LEU B 15 -11.561 2.515 6.601 1.00 0.00 O ATOM 1571 CB LEU B 15 -9.310 0.043 5.599 1.00 0.00 C ATOM 1572 CG LEU B 15 -9.018 -1.461 5.621 1.00 0.00 C ATOM 1573 CD1 LEU B 15 -7.537 -1.713 5.397 1.00 0.00 C ATOM 1574 CD2 LEU B 15 -9.463 -2.084 6.936 1.00 0.00 C ATOM 0 H LEU B 15 -10.954 -0.546 3.837 1.00 0.00 H new ATOM 0 HA LEU B 15 -11.212 0.025 6.596 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -8.892 0.461 4.683 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -8.782 0.508 6.432 1.00 0.00 H new ATOM 0 HG LEU B 15 -9.583 -1.928 4.814 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -7.344 -2.786 5.415 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -7.241 -1.307 4.430 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -6.962 -1.227 6.185 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -9.244 -3.152 6.925 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -8.929 -1.613 7.761 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -10.535 -1.935 7.065 1.00 0.00 H new ATOM 1586 N LEU B 16 -10.301 2.616 4.746 1.00 0.00 N ATOM 1587 CA LEU B 16 -10.334 4.067 4.687 1.00 0.00 C ATOM 1588 C LEU B 16 -10.116 4.549 3.264 1.00 0.00 C ATOM 1589 O LEU B 16 -9.621 3.807 2.411 1.00 0.00 O ATOM 1590 CB LEU B 16 -9.262 4.689 5.593 1.00 0.00 C ATOM 1591 CG LEU B 16 -7.813 4.410 5.182 1.00 0.00 C ATOM 1592 CD1 LEU B 16 -6.917 5.569 5.584 1.00 0.00 C ATOM 1593 CD2 LEU B 16 -7.314 3.119 5.814 1.00 0.00 C ATOM 0 H LEU B 16 -9.779 2.172 3.991 1.00 0.00 H new ATOM 0 HA LEU B 16 -11.318 4.381 5.036 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -9.413 5.768 5.619 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -9.411 4.322 6.609 1.00 0.00 H new ATOM 0 HG LEU B 16 -7.781 4.300 4.098 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -5.891 5.356 5.285 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -7.257 6.480 5.091 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -6.960 5.704 6.665 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -6.283 2.939 5.509 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -7.362 3.203 6.900 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -7.939 2.288 5.486 1.00 0.00 H new ATOM 1605 N THR B 17 -10.496 5.790 3.021 1.00 0.00 N ATOM 1606 CA THR B 17 -10.239 6.437 1.752 1.00 0.00 C ATOM 1607 C THR B 17 -9.011 7.335 1.875 1.00 0.00 C ATOM 1608 O THR B 17 -8.930 8.162 2.785 1.00 0.00 O ATOM 1609 CB THR B 17 -11.451 7.278 1.306 1.00 0.00 C ATOM 1610 OG1 THR B 17 -12.641 6.480 1.362 1.00 0.00 O ATOM 1611 CG2 THR B 17 -11.258 7.806 -0.107 1.00 0.00 C ATOM 0 H THR B 17 -10.989 6.374 3.696 1.00 0.00 H new ATOM 0 HA THR B 17 -10.060 5.666 1.003 1.00 0.00 H new ATOM 0 HB THR B 17 -11.545 8.128 1.982 1.00 0.00 H new ATOM 0 HG1 THR B 17 -13.410 7.018 1.079 1.00 0.00 H new ATOM 0 HG21 THR B 17 -12.128 8.396 -0.397 1.00 0.00 H new ATOM 0 HG22 THR B 17 -10.366 8.432 -0.143 1.00 0.00 H new ATOM 0 HG23 THR B 17 -11.142 6.969 -0.795 1.00 0.00 H new ATOM 1619 N LEU B 18 -8.057 7.163 0.974 1.00 0.00 N ATOM 1620 CA LEU B 18 -6.821 7.929 1.020 1.00 0.00 C ATOM 1621 C LEU B 18 -7.027 9.294 0.382 1.00 0.00 C ATOM 1622 O LEU B 18 -6.868 10.327 1.031 1.00 0.00 O ATOM 1623 CB LEU B 18 -5.701 7.178 0.298 1.00 0.00 C ATOM 1624 CG LEU B 18 -5.417 5.770 0.825 1.00 0.00 C ATOM 1625 CD1 LEU B 18 -4.335 5.095 -0.001 1.00 0.00 C ATOM 1626 CD2 LEU B 18 -5.013 5.822 2.289 1.00 0.00 C ATOM 0 H LEU B 18 -8.115 6.499 0.201 1.00 0.00 H new ATOM 0 HA LEU B 18 -6.535 8.064 2.063 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -5.955 7.109 -0.760 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -4.786 7.767 0.368 1.00 0.00 H new ATOM 0 HG LEU B 18 -6.331 5.182 0.738 1.00 0.00 H new ATOM 0 HD11 LEU B 18 -4.149 4.095 0.391 1.00 0.00 H new ATOM 0 HD12 LEU B 18 -4.661 5.023 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -3.418 5.682 0.051 1.00 0.00 H new ATOM 0 HD21 LEU B 18 -4.815 4.812 2.648 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -4.114 6.429 2.397 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -5.820 6.263 2.874 1.00 0.00 H new ATOM 1638 N SER B 19 -7.408 9.288 -0.887 1.00 0.00 N ATOM 1639 CA SER B 19 -7.627 10.518 -1.626 1.00 0.00 C ATOM 1640 C SER B 19 -8.612 10.264 -2.762 1.00 0.00 C ATOM 1641 O SER B 19 -8.821 9.118 -3.165 1.00 0.00 O ATOM 1642 CB SER B 19 -6.297 11.059 -2.173 1.00 0.00 C ATOM 1643 OG SER B 19 -6.466 12.324 -2.799 1.00 0.00 O ATOM 0 H SER B 19 -7.572 8.438 -1.427 1.00 0.00 H new ATOM 0 HA SER B 19 -8.047 11.268 -0.955 1.00 0.00 H new ATOM 0 HB2 SER B 19 -5.577 11.148 -1.359 1.00 0.00 H new ATOM 0 HB3 SER B 19 -5.882 10.350 -2.889 1.00 0.00 H new ATOM 0 HG SER B 19 -5.602 12.641 -3.135 1.00 0.00 H new ATOM 1649 N GLU B 20 -9.221 11.322 -3.264 1.00 0.00 N ATOM 1650 CA GLU B 20 -10.181 11.212 -4.349 1.00 0.00 C ATOM 1651 C GLU B 20 -9.811 12.213 -5.438 1.00 0.00 C ATOM 1652 O GLU B 20 -10.008 13.419 -5.281 1.00 0.00 O ATOM 1653 CB GLU B 20 -11.590 11.471 -3.810 1.00 0.00 C ATOM 1654 CG GLU B 20 -12.669 10.626 -4.460 1.00 0.00 C ATOM 1655 CD GLU B 20 -12.949 11.019 -5.889 1.00 0.00 C ATOM 1656 OE1 GLU B 20 -13.638 12.039 -6.103 1.00 0.00 O ATOM 1657 OE2 GLU B 20 -12.491 10.304 -6.798 1.00 0.00 O ATOM 0 H GLU B 20 -9.067 12.275 -2.935 1.00 0.00 H new ATOM 0 HA GLU B 20 -10.162 10.210 -4.777 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -11.596 11.285 -2.736 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -11.834 12.524 -3.952 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -12.369 9.579 -4.430 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -13.588 10.711 -3.880 1.00 0.00 H new ATOM 1664 N ASN B 21 -9.268 11.711 -6.537 1.00 0.00 N ATOM 1665 CA ASN B 21 -8.658 12.564 -7.550 1.00 0.00 C ATOM 1666 C ASN B 21 -9.483 12.573 -8.834 1.00 0.00 C ATOM 1667 O ASN B 21 -10.043 11.551 -9.227 1.00 0.00 O ATOM 1668 CB ASN B 21 -7.228 12.087 -7.837 1.00 0.00 C ATOM 1669 CG ASN B 21 -6.453 13.004 -8.775 1.00 0.00 C ATOM 1670 OD1 ASN B 21 -6.709 14.304 -8.698 1.00 0.00 O flip ATOM 1671 ND2 ASN B 21 -5.609 12.548 -9.546 1.00 0.00 N flip ATOM 0 H ASN B 21 -9.237 10.714 -6.752 1.00 0.00 H new ATOM 0 HA ASN B 21 -8.627 13.584 -7.168 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -6.686 12.004 -6.895 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -7.268 11.088 -8.271 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -5.438 11.543 -9.579 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -5.080 13.175 -10.152 1.00 0.00 H new ATOM 1678 N GLU B 22 -9.575 13.752 -9.460 1.00 0.00 N ATOM 1679 CA GLU B 22 -10.262 13.927 -10.745 1.00 0.00 C ATOM 1680 C GLU B 22 -11.757 13.626 -10.637 1.00 0.00 C ATOM 1681 O GLU B 22 -12.454 13.555 -11.650 1.00 0.00 O ATOM 1682 CB GLU B 22 -9.629 13.042 -11.827 1.00 0.00 C ATOM 1683 CG GLU B 22 -8.138 13.278 -12.024 1.00 0.00 C ATOM 1684 CD GLU B 22 -7.815 14.706 -12.406 1.00 0.00 C ATOM 1685 OE1 GLU B 22 -7.988 15.065 -13.588 1.00 0.00 O ATOM 1686 OE2 GLU B 22 -7.374 15.475 -11.529 1.00 0.00 O ATOM 0 H GLU B 22 -9.174 14.613 -9.089 1.00 0.00 H new ATOM 0 HA GLU B 22 -10.148 14.974 -11.028 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -9.790 11.996 -11.567 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -10.143 13.218 -12.772 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -7.610 13.025 -11.105 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -7.768 12.607 -12.799 1.00 0.00 H new ATOM 1693 N LYS B 23 -12.238 13.478 -9.403 1.00 0.00 N ATOM 1694 CA LYS B 23 -13.623 13.112 -9.128 1.00 0.00 C ATOM 1695 C LYS B 23 -13.978 11.797 -9.816 1.00 0.00 C ATOM 1696 O LYS B 23 -14.517 11.784 -10.925 1.00 0.00 O ATOM 1697 CB LYS B 23 -14.593 14.214 -9.569 1.00 0.00 C ATOM 1698 CG LYS B 23 -16.010 13.992 -9.070 1.00 0.00 C ATOM 1699 CD LYS B 23 -17.000 14.955 -9.698 1.00 0.00 C ATOM 1700 CE LYS B 23 -18.391 14.766 -9.114 1.00 0.00 C ATOM 1701 NZ LYS B 23 -18.829 13.343 -9.152 1.00 0.00 N ATOM 0 H LYS B 23 -11.674 13.610 -8.564 1.00 0.00 H new ATOM 0 HA LYS B 23 -13.721 12.986 -8.050 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -14.232 15.176 -9.204 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -14.601 14.269 -10.658 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -16.314 12.968 -9.289 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -16.033 14.106 -7.986 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -16.669 15.980 -9.534 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -17.030 14.799 -10.776 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -18.401 15.120 -8.083 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -19.102 15.378 -9.669 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -19.852 13.290 -8.971 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -18.622 12.941 -10.088 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -18.320 12.803 -8.423 1.00 0.00 H new ATOM 1715 N GLY B 24 -13.655 10.695 -9.164 1.00 0.00 N ATOM 1716 CA GLY B 24 -13.925 9.393 -9.728 1.00 0.00 C ATOM 1717 C GLY B 24 -12.757 8.451 -9.547 1.00 0.00 C ATOM 1718 O GLY B 24 -12.945 7.251 -9.331 1.00 0.00 O ATOM 0 H GLY B 24 -13.207 10.679 -8.248 1.00 0.00 H new ATOM 0 HA2 GLY B 24 -14.811 8.969 -9.256 1.00 0.00 H new ATOM 0 HA3 GLY B 24 -14.148 9.496 -10.790 1.00 0.00 H new ATOM 1722 N TRP B 25 -11.551 9.000 -9.629 1.00 0.00 N ATOM 1723 CA TRP B 25 -10.336 8.220 -9.430 1.00 0.00 C ATOM 1724 C TRP B 25 -9.993 8.197 -7.952 1.00 0.00 C ATOM 1725 O TRP B 25 -9.204 9.011 -7.462 1.00 0.00 O ATOM 1726 CB TRP B 25 -9.167 8.793 -10.237 1.00 0.00 C ATOM 1727 CG TRP B 25 -9.348 8.684 -11.720 1.00 0.00 C ATOM 1728 CD1 TRP B 25 -10.076 9.514 -12.523 1.00 0.00 C ATOM 1729 CD2 TRP B 25 -8.784 7.690 -12.582 1.00 0.00 C ATOM 1730 NE1 TRP B 25 -10.005 9.094 -13.828 1.00 0.00 N ATOM 1731 CE2 TRP B 25 -9.215 7.979 -13.891 1.00 0.00 C ATOM 1732 CE3 TRP B 25 -7.956 6.585 -12.372 1.00 0.00 C ATOM 1733 CZ2 TRP B 25 -8.845 7.200 -14.984 1.00 0.00 C ATOM 1734 CZ3 TRP B 25 -7.589 5.814 -13.458 1.00 0.00 C ATOM 1735 CH2 TRP B 25 -8.033 6.126 -14.749 1.00 0.00 C ATOM 0 H TRP B 25 -11.388 9.986 -9.833 1.00 0.00 H new ATOM 0 HA TRP B 25 -10.513 7.204 -9.783 1.00 0.00 H new ATOM 0 HB2 TRP B 25 -9.034 9.842 -9.972 1.00 0.00 H new ATOM 0 HB3 TRP B 25 -8.252 8.274 -9.953 1.00 0.00 H new ATOM 0 HD1 TRP B 25 -10.628 10.377 -12.181 1.00 0.00 H new ATOM 0 HE1 TRP B 25 -10.466 9.540 -14.621 1.00 0.00 H new ATOM 0 HE3 TRP B 25 -7.609 6.338 -11.379 1.00 0.00 H new ATOM 0 HZ2 TRP B 25 -9.187 7.436 -15.981 1.00 0.00 H new ATOM 0 HZ3 TRP B 25 -6.949 4.957 -13.309 1.00 0.00 H new ATOM 0 HH2 TRP B 25 -7.727 5.504 -15.577 1.00 0.00 H new ATOM 1746 N THR B 26 -10.609 7.280 -7.239 1.00 0.00 N ATOM 1747 CA THR B 26 -10.472 7.237 -5.799 1.00 0.00 C ATOM 1748 C THR B 26 -9.341 6.304 -5.384 1.00 0.00 C ATOM 1749 O THR B 26 -9.199 5.209 -5.921 1.00 0.00 O ATOM 1750 CB THR B 26 -11.793 6.767 -5.157 1.00 0.00 C ATOM 1751 OG1 THR B 26 -12.885 7.543 -5.675 1.00 0.00 O ATOM 1752 CG2 THR B 26 -11.749 6.897 -3.641 1.00 0.00 C ATOM 0 H THR B 26 -11.209 6.555 -7.632 1.00 0.00 H new ATOM 0 HA THR B 26 -10.235 8.243 -5.452 1.00 0.00 H new ATOM 0 HB THR B 26 -11.935 5.715 -5.405 1.00 0.00 H new ATOM 0 HG1 THR B 26 -12.537 8.352 -6.105 1.00 0.00 H new ATOM 0 HG21 THR B 26 -12.695 6.558 -3.219 1.00 0.00 H new ATOM 0 HG22 THR B 26 -10.936 6.287 -3.247 1.00 0.00 H new ATOM 0 HG23 THR B 26 -11.584 7.940 -3.370 1.00 0.00 H new ATOM 1760 N LYS B 27 -8.540 6.748 -4.427 1.00 0.00 N ATOM 1761 CA LYS B 27 -7.484 5.932 -3.864 1.00 0.00 C ATOM 1762 C LYS B 27 -7.900 5.461 -2.481 1.00 0.00 C ATOM 1763 O LYS B 27 -8.201 6.284 -1.614 1.00 0.00 O ATOM 1764 CB LYS B 27 -6.198 6.749 -3.752 1.00 0.00 C ATOM 1765 CG LYS B 27 -4.946 5.899 -3.680 1.00 0.00 C ATOM 1766 CD LYS B 27 -4.580 5.354 -5.049 1.00 0.00 C ATOM 1767 CE LYS B 27 -3.690 6.312 -5.834 1.00 0.00 C ATOM 1768 NZ LYS B 27 -4.222 7.703 -5.884 1.00 0.00 N ATOM 0 H LYS B 27 -8.606 7.682 -4.022 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.308 5.073 -4.512 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -6.125 7.417 -4.610 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.252 7.377 -2.863 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -4.120 6.493 -3.288 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -5.102 5.073 -2.986 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -4.068 4.399 -4.932 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -5.491 5.160 -5.616 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -2.697 6.326 -5.384 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -3.574 5.938 -6.851 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -3.618 8.284 -6.500 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -5.191 7.691 -6.261 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.228 8.107 -4.926 1.00 0.00 H new ATOM 1782 N GLU B 28 -7.927 4.158 -2.263 1.00 0.00 N ATOM 1783 CA GLU B 28 -8.340 3.635 -0.972 1.00 0.00 C ATOM 1784 C GLU B 28 -7.678 2.301 -0.671 1.00 0.00 C ATOM 1785 O GLU B 28 -6.951 1.743 -1.498 1.00 0.00 O ATOM 1786 CB GLU B 28 -9.859 3.473 -0.915 1.00 0.00 C ATOM 1787 CG GLU B 28 -10.397 2.446 -1.895 1.00 0.00 C ATOM 1788 CD GLU B 28 -11.782 1.968 -1.523 1.00 0.00 C ATOM 1789 OE1 GLU B 28 -11.886 1.054 -0.677 1.00 0.00 O ATOM 1790 OE2 GLU B 28 -12.766 2.503 -2.058 1.00 0.00 O ATOM 0 H GLU B 28 -7.672 3.451 -2.952 1.00 0.00 H new ATOM 0 HA GLU B 28 -8.024 4.356 -0.218 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -10.148 3.185 0.096 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -10.327 4.436 -1.118 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -10.421 2.879 -2.895 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -9.719 1.593 -1.933 1.00 0.00 H new ATOM 1797 N ILE B 29 -7.939 1.812 0.530 1.00 0.00 N ATOM 1798 CA ILE B 29 -7.464 0.511 0.963 1.00 0.00 C ATOM 1799 C ILE B 29 -8.627 -0.263 1.566 1.00 0.00 C ATOM 1800 O ILE B 29 -9.286 0.221 2.492 1.00 0.00 O ATOM 1801 CB ILE B 29 -6.337 0.636 2.013 1.00 0.00 C ATOM 1802 CG1 ILE B 29 -5.228 1.560 1.501 1.00 0.00 C ATOM 1803 CG2 ILE B 29 -5.771 -0.739 2.343 1.00 0.00 C ATOM 1804 CD1 ILE B 29 -4.125 1.814 2.506 1.00 0.00 C ATOM 0 H ILE B 29 -8.487 2.308 1.233 1.00 0.00 H new ATOM 0 HA ILE B 29 -7.060 -0.012 0.096 1.00 0.00 H new ATOM 0 HB ILE B 29 -6.755 1.070 2.922 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -4.793 1.124 0.602 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -5.669 2.514 1.212 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -4.978 -0.638 3.084 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -6.563 -1.372 2.743 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -5.367 -1.193 1.438 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -3.379 2.477 2.068 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -4.545 2.280 3.397 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -3.655 0.869 2.778 1.00 0.00 H new ATOM 1816 N ASN B 30 -8.899 -1.445 1.040 1.00 0.00 N ATOM 1817 CA ASN B 30 -10.012 -2.243 1.530 1.00 0.00 C ATOM 1818 C ASN B 30 -9.679 -3.729 1.513 1.00 0.00 C ATOM 1819 O ASN B 30 -8.686 -4.151 0.922 1.00 0.00 O ATOM 1820 CB ASN B 30 -11.282 -1.982 0.705 1.00 0.00 C ATOM 1821 CG ASN B 30 -11.133 -2.356 -0.759 1.00 0.00 C ATOM 1822 OD1 ASN B 30 -11.344 -3.501 -1.143 1.00 0.00 O ATOM 1823 ND2 ASN B 30 -10.809 -1.379 -1.588 1.00 0.00 N ATOM 0 H ASN B 30 -8.370 -1.872 0.280 1.00 0.00 H new ATOM 0 HA ASN B 30 -10.196 -1.943 2.562 1.00 0.00 H new ATOM 0 HB2 ASN B 30 -12.109 -2.547 1.135 1.00 0.00 H new ATOM 0 HB3 ASN B 30 -11.545 -0.927 0.779 1.00 0.00 H new ATOM 0 HD21 ASN B 30 -10.727 -1.565 -2.588 1.00 0.00 H new ATOM 0 HD22 ASN B 30 -10.641 -0.439 -1.228 1.00 0.00 H new ATOM 1830 N ARG B 31 -10.507 -4.510 2.192 1.00 0.00 N ATOM 1831 CA ARG B 31 -10.364 -5.959 2.213 1.00 0.00 C ATOM 1832 C ARG B 31 -11.056 -6.589 1.012 1.00 0.00 C ATOM 1833 O ARG B 31 -12.234 -6.337 0.767 1.00 0.00 O ATOM 1834 CB ARG B 31 -10.976 -6.541 3.484 1.00 0.00 C ATOM 1835 CG ARG B 31 -10.130 -6.380 4.731 1.00 0.00 C ATOM 1836 CD ARG B 31 -10.774 -7.115 5.895 1.00 0.00 C ATOM 1837 NE ARG B 31 -9.895 -7.230 7.054 1.00 0.00 N ATOM 1838 CZ ARG B 31 -9.481 -8.397 7.548 1.00 0.00 C ATOM 1839 NH1 ARG B 31 -9.780 -9.531 6.924 1.00 0.00 N ATOM 1840 NH2 ARG B 31 -8.762 -8.443 8.654 1.00 0.00 N ATOM 0 H ARG B 31 -11.292 -4.160 2.741 1.00 0.00 H new ATOM 0 HA ARG B 31 -9.298 -6.182 2.180 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -11.943 -6.067 3.655 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -11.165 -7.603 3.326 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -9.128 -6.770 4.553 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -10.022 -5.323 4.973 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -11.685 -6.593 6.187 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -11.069 -8.113 5.569 1.00 0.00 H new ATOM 0 HE ARG B 31 -9.581 -6.373 7.510 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -10.328 -9.511 6.064 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -9.462 -10.422 7.305 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -8.518 -7.580 9.140 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -8.451 -9.342 9.023 1.00 0.00 H new ATOM 1854 N VAL B 32 -10.332 -7.420 0.282 1.00 0.00 N ATOM 1855 CA VAL B 32 -10.899 -8.126 -0.858 1.00 0.00 C ATOM 1856 C VAL B 32 -10.783 -9.634 -0.660 1.00 0.00 C ATOM 1857 O VAL B 32 -9.697 -10.152 -0.376 1.00 0.00 O ATOM 1858 CB VAL B 32 -10.200 -7.732 -2.179 1.00 0.00 C ATOM 1859 CG1 VAL B 32 -10.870 -8.402 -3.368 1.00 0.00 C ATOM 1860 CG2 VAL B 32 -10.187 -6.219 -2.353 1.00 0.00 C ATOM 0 H VAL B 32 -9.348 -7.624 0.458 1.00 0.00 H new ATOM 0 HA VAL B 32 -11.949 -7.841 -0.925 1.00 0.00 H new ATOM 0 HB VAL B 32 -9.168 -8.080 -2.130 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -10.360 -8.109 -4.286 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -10.817 -9.485 -3.253 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -11.914 -8.093 -3.419 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -9.690 -5.965 -3.289 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -11.211 -5.846 -2.373 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -9.650 -5.762 -1.522 1.00 0.00 H new ATOM 1870 N SER B 33 -11.903 -10.328 -0.776 1.00 0.00 N ATOM 1871 CA SER B 33 -11.904 -11.778 -0.722 1.00 0.00 C ATOM 1872 C SER B 33 -11.970 -12.346 -2.135 1.00 0.00 C ATOM 1873 O SER B 33 -12.726 -11.854 -2.977 1.00 0.00 O ATOM 1874 CB SER B 33 -13.080 -12.275 0.122 1.00 0.00 C ATOM 1875 OG SER B 33 -14.267 -11.574 -0.195 1.00 0.00 O ATOM 0 H SER B 33 -12.823 -9.909 -0.908 1.00 0.00 H new ATOM 0 HA SER B 33 -10.982 -12.121 -0.253 1.00 0.00 H new ATOM 0 HB2 SER B 33 -13.228 -13.342 -0.047 1.00 0.00 H new ATOM 0 HB3 SER B 33 -12.851 -12.149 1.180 1.00 0.00 H new ATOM 0 HG SER B 33 -14.854 -12.149 -0.730 1.00 0.00 H new ATOM 1881 N PHE B 34 -11.167 -13.366 -2.401 1.00 0.00 N ATOM 1882 CA PHE B 34 -11.085 -13.939 -3.737 1.00 0.00 C ATOM 1883 C PHE B 34 -11.636 -15.359 -3.760 1.00 0.00 C ATOM 1884 O PHE B 34 -11.018 -16.278 -3.222 1.00 0.00 O ATOM 1885 CB PHE B 34 -9.637 -13.942 -4.234 1.00 0.00 C ATOM 1886 CG PHE B 34 -9.034 -12.572 -4.381 1.00 0.00 C ATOM 1887 CD1 PHE B 34 -9.238 -11.831 -5.533 1.00 0.00 C ATOM 1888 CD2 PHE B 34 -8.258 -12.029 -3.370 1.00 0.00 C ATOM 1889 CE1 PHE B 34 -8.678 -10.575 -5.673 1.00 0.00 C ATOM 1890 CE2 PHE B 34 -7.696 -10.776 -3.504 1.00 0.00 C ATOM 1891 CZ PHE B 34 -7.906 -10.047 -4.656 1.00 0.00 C ATOM 0 H PHE B 34 -10.564 -13.813 -1.711 1.00 0.00 H new ATOM 0 HA PHE B 34 -11.690 -13.320 -4.399 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -9.028 -14.523 -3.541 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -9.596 -14.450 -5.197 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -9.841 -12.239 -6.331 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -8.091 -12.594 -2.465 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -8.844 -10.007 -6.576 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -7.092 -10.366 -2.708 1.00 0.00 H new ATOM 0 HZ PHE B 34 -7.468 -9.066 -4.763 1.00 0.00 H new ATOM 1901 N ASN B 35 -12.805 -15.517 -4.374 1.00 0.00 N ATOM 1902 CA ASN B 35 -13.430 -16.829 -4.586 1.00 0.00 C ATOM 1903 C ASN B 35 -13.690 -17.549 -3.257 1.00 0.00 C ATOM 1904 O ASN B 35 -13.578 -18.769 -3.162 1.00 0.00 O ATOM 1905 CB ASN B 35 -12.550 -17.689 -5.508 1.00 0.00 C ATOM 1906 CG ASN B 35 -13.320 -18.799 -6.203 1.00 0.00 C ATOM 1907 OD1 ASN B 35 -13.392 -19.930 -5.722 1.00 0.00 O ATOM 1908 ND2 ASN B 35 -13.898 -18.483 -7.354 1.00 0.00 N ATOM 0 H ASN B 35 -13.352 -14.738 -4.742 1.00 0.00 H new ATOM 0 HA ASN B 35 -14.396 -16.671 -5.066 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -12.089 -17.049 -6.260 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -11.741 -18.127 -4.923 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -14.424 -19.188 -7.871 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -13.817 -17.535 -7.722 1.00 0.00 H new ATOM 1915 N GLY B 36 -14.063 -16.782 -2.240 1.00 0.00 N ATOM 1916 CA GLY B 36 -14.346 -17.362 -0.939 1.00 0.00 C ATOM 1917 C GLY B 36 -13.084 -17.722 -0.180 1.00 0.00 C ATOM 1918 O GLY B 36 -12.796 -18.900 0.042 1.00 0.00 O ATOM 0 H GLY B 36 -14.175 -15.769 -2.292 1.00 0.00 H new ATOM 0 HA2 GLY B 36 -14.933 -16.657 -0.350 1.00 0.00 H new ATOM 0 HA3 GLY B 36 -14.957 -18.256 -1.068 1.00 0.00 H new ATOM 1922 N ALA B 37 -12.336 -16.705 0.219 1.00 0.00 N ATOM 1923 CA ALA B 37 -11.091 -16.898 0.946 1.00 0.00 C ATOM 1924 C ALA B 37 -10.886 -15.751 1.924 1.00 0.00 C ATOM 1925 O ALA B 37 -11.487 -14.689 1.751 1.00 0.00 O ATOM 1926 CB ALA B 37 -9.926 -16.987 -0.032 1.00 0.00 C ATOM 0 H ALA B 37 -12.573 -15.728 0.049 1.00 0.00 H new ATOM 0 HA ALA B 37 -11.140 -17.831 1.508 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -8.997 -17.131 0.520 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -10.081 -17.828 -0.707 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -9.865 -16.065 -0.610 1.00 0.00 H new ATOM 1932 N PRO B 38 -10.057 -15.952 2.970 1.00 0.00 N ATOM 1933 CA PRO B 38 -9.751 -14.920 3.965 1.00 0.00 C ATOM 1934 C PRO B 38 -9.418 -13.577 3.319 1.00 0.00 C ATOM 1935 O PRO B 38 -8.536 -13.491 2.454 1.00 0.00 O ATOM 1936 CB PRO B 38 -8.532 -15.473 4.719 1.00 0.00 C ATOM 1937 CG PRO B 38 -8.131 -16.719 3.999 1.00 0.00 C ATOM 1938 CD PRO B 38 -9.356 -17.202 3.276 1.00 0.00 C ATOM 0 HA PRO B 38 -10.604 -14.724 4.614 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -7.718 -14.749 4.728 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -8.780 -15.686 5.759 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -7.320 -16.519 3.299 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -7.770 -17.473 4.698 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -9.102 -17.756 2.373 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -9.959 -17.864 3.897 1.00 0.00 H new ATOM 1946 N ALA B 39 -10.142 -12.545 3.739 1.00 0.00 N ATOM 1947 CA ALA B 39 -10.024 -11.219 3.151 1.00 0.00 C ATOM 1948 C ALA B 39 -8.638 -10.634 3.349 1.00 0.00 C ATOM 1949 O ALA B 39 -8.153 -10.530 4.474 1.00 0.00 O ATOM 1950 CB ALA B 39 -11.064 -10.287 3.747 1.00 0.00 C ATOM 0 H ALA B 39 -10.825 -12.605 4.494 1.00 0.00 H new ATOM 0 HA ALA B 39 -10.194 -11.321 2.079 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -10.966 -9.298 3.299 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -12.061 -10.679 3.546 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -10.913 -10.214 4.824 1.00 0.00 H new ATOM 1956 N LYS B 40 -8.015 -10.243 2.253 1.00 0.00 N ATOM 1957 CA LYS B 40 -6.706 -9.623 2.303 1.00 0.00 C ATOM 1958 C LYS B 40 -6.833 -8.138 2.014 1.00 0.00 C ATOM 1959 O LYS B 40 -7.895 -7.672 1.600 1.00 0.00 O ATOM 1960 CB LYS B 40 -5.764 -10.296 1.307 1.00 0.00 C ATOM 1961 CG LYS B 40 -5.553 -11.769 1.607 1.00 0.00 C ATOM 1962 CD LYS B 40 -4.731 -12.461 0.535 1.00 0.00 C ATOM 1963 CE LYS B 40 -4.592 -13.943 0.834 1.00 0.00 C ATOM 1964 NZ LYS B 40 -5.916 -14.619 0.917 1.00 0.00 N ATOM 0 H LYS B 40 -8.398 -10.345 1.313 1.00 0.00 H new ATOM 0 HA LYS B 40 -6.285 -9.748 3.301 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -6.168 -10.188 0.300 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -4.801 -9.785 1.320 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -5.053 -11.874 2.570 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -6.521 -12.262 1.695 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -5.205 -12.325 -0.437 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -3.744 -12.003 0.476 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -3.991 -14.415 0.057 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -4.057 -14.075 1.775 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -5.787 -15.648 0.833 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -6.361 -14.399 1.831 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -6.526 -14.283 0.145 1.00 0.00 H new ATOM 1978 N PHE B 41 -5.762 -7.398 2.228 1.00 0.00 N ATOM 1979 CA PHE B 41 -5.807 -5.954 2.101 1.00 0.00 C ATOM 1980 C PHE B 41 -5.252 -5.515 0.757 1.00 0.00 C ATOM 1981 O PHE B 41 -4.078 -5.739 0.457 1.00 0.00 O ATOM 1982 CB PHE B 41 -5.020 -5.303 3.236 1.00 0.00 C ATOM 1983 CG PHE B 41 -5.466 -5.743 4.603 1.00 0.00 C ATOM 1984 CD1 PHE B 41 -6.556 -5.151 5.215 1.00 0.00 C ATOM 1985 CD2 PHE B 41 -4.795 -6.755 5.272 1.00 0.00 C ATOM 1986 CE1 PHE B 41 -6.968 -5.554 6.471 1.00 0.00 C ATOM 1987 CE2 PHE B 41 -5.202 -7.163 6.527 1.00 0.00 C ATOM 1988 CZ PHE B 41 -6.289 -6.563 7.128 1.00 0.00 C ATOM 0 H PHE B 41 -4.850 -7.773 2.491 1.00 0.00 H new ATOM 0 HA PHE B 41 -6.847 -5.634 2.163 1.00 0.00 H new ATOM 0 HB2 PHE B 41 -3.962 -5.536 3.115 1.00 0.00 H new ATOM 0 HB3 PHE B 41 -5.118 -4.220 3.161 1.00 0.00 H new ATOM 0 HD1 PHE B 41 -7.092 -4.364 4.705 1.00 0.00 H new ATOM 0 HD2 PHE B 41 -3.944 -7.230 4.806 1.00 0.00 H new ATOM 0 HE1 PHE B 41 -7.819 -5.081 6.939 1.00 0.00 H new ATOM 0 HE2 PHE B 41 -4.669 -7.952 7.038 1.00 0.00 H new ATOM 0 HZ PHE B 41 -6.609 -6.881 8.109 1.00 0.00 H new ATOM 1998 N ASP B 42 -6.097 -4.901 -0.056 1.00 0.00 N ATOM 1999 CA ASP B 42 -5.694 -4.471 -1.383 1.00 0.00 C ATOM 2000 C ASP B 42 -5.668 -2.948 -1.456 1.00 0.00 C ATOM 2001 O ASP B 42 -6.672 -2.281 -1.187 1.00 0.00 O ATOM 2002 CB ASP B 42 -6.639 -5.045 -2.443 1.00 0.00 C ATOM 2003 CG ASP B 42 -6.092 -4.913 -3.853 1.00 0.00 C ATOM 2004 OD1 ASP B 42 -5.230 -5.731 -4.240 1.00 0.00 O ATOM 2005 OD2 ASP B 42 -6.538 -4.014 -4.591 1.00 0.00 O ATOM 0 H ASP B 42 -7.066 -4.690 0.181 1.00 0.00 H new ATOM 0 HA ASP B 42 -4.690 -4.846 -1.582 1.00 0.00 H new ATOM 0 HB2 ASP B 42 -6.824 -6.097 -2.227 1.00 0.00 H new ATOM 0 HB3 ASP B 42 -7.600 -4.534 -2.382 1.00 0.00 H new ATOM 2010 N ILE B 43 -4.508 -2.403 -1.787 1.00 0.00 N ATOM 2011 CA ILE B 43 -4.341 -0.963 -1.910 1.00 0.00 C ATOM 2012 C ILE B 43 -4.357 -0.574 -3.380 1.00 0.00 C ATOM 2013 O ILE B 43 -3.421 -0.887 -4.117 1.00 0.00 O ATOM 2014 CB ILE B 43 -3.011 -0.492 -1.280 1.00 0.00 C ATOM 2015 CG1 ILE B 43 -2.903 -0.982 0.169 1.00 0.00 C ATOM 2016 CG2 ILE B 43 -2.901 1.027 -1.346 1.00 0.00 C ATOM 2017 CD1 ILE B 43 -1.581 -0.645 0.827 1.00 0.00 C ATOM 0 H ILE B 43 -3.662 -2.941 -1.977 1.00 0.00 H new ATOM 0 HA ILE B 43 -5.163 -0.483 -1.379 1.00 0.00 H new ATOM 0 HB ILE B 43 -2.185 -0.920 -1.848 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -3.712 -0.543 0.753 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -3.044 -2.063 0.190 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -1.959 1.343 -0.898 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -2.935 1.349 -2.387 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -3.731 1.476 -0.800 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -1.577 -1.022 1.850 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -0.768 -1.106 0.267 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -1.446 0.437 0.839 1.00 0.00 H new ATOM 2029 N ARG B 44 -5.416 0.098 -3.815 1.00 0.00 N ATOM 2030 CA ARG B 44 -5.571 0.407 -5.230 1.00 0.00 C ATOM 2031 C ARG B 44 -6.355 1.689 -5.454 1.00 0.00 C ATOM 2032 O ARG B 44 -6.685 2.415 -4.514 1.00 0.00 O ATOM 2033 CB ARG B 44 -6.289 -0.734 -5.948 1.00 0.00 C ATOM 2034 CG ARG B 44 -7.701 -0.989 -5.447 1.00 0.00 C ATOM 2035 CD ARG B 44 -8.469 -1.867 -6.419 1.00 0.00 C ATOM 2036 NE ARG B 44 -7.748 -3.096 -6.729 1.00 0.00 N ATOM 2037 CZ ARG B 44 -7.663 -3.620 -7.948 1.00 0.00 C ATOM 2038 NH1 ARG B 44 -8.218 -3.000 -8.985 1.00 0.00 N ATOM 2039 NH2 ARG B 44 -6.993 -4.747 -8.137 1.00 0.00 N ATOM 0 H ARG B 44 -6.171 0.435 -3.217 1.00 0.00 H new ATOM 0 HA ARG B 44 -4.567 0.539 -5.634 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -6.328 -0.511 -7.014 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -5.704 -1.647 -5.834 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -7.663 -1.469 -4.469 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -8.222 -0.041 -5.317 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -9.442 -2.114 -5.994 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -8.655 -1.313 -7.339 1.00 0.00 H new ATOM 0 HE ARG B 44 -7.281 -3.583 -5.964 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -8.712 -2.118 -8.847 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -8.150 -3.406 -9.918 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -6.543 -5.211 -7.348 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -6.927 -5.150 -9.072 1.00 0.00 H new ATOM 2053 N ALA B 45 -6.640 1.952 -6.722 1.00 0.00 N ATOM 2054 CA ALA B 45 -7.469 3.075 -7.112 1.00 0.00 C ATOM 2055 C ALA B 45 -8.669 2.584 -7.913 1.00 0.00 C ATOM 2056 O ALA B 45 -8.598 1.552 -8.586 1.00 0.00 O ATOM 2057 CB ALA B 45 -6.658 4.077 -7.924 1.00 0.00 C ATOM 0 H ALA B 45 -6.302 1.392 -7.505 1.00 0.00 H new ATOM 0 HA ALA B 45 -7.830 3.575 -6.213 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -7.295 4.914 -8.209 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -5.825 4.443 -7.324 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -6.273 3.592 -8.821 1.00 0.00 H new ATOM 2063 N TRP B 46 -9.772 3.307 -7.818 1.00 0.00 N ATOM 2064 CA TRP B 46 -10.967 2.995 -8.588 1.00 0.00 C ATOM 2065 C TRP B 46 -11.163 4.039 -9.674 1.00 0.00 C ATOM 2066 O TRP B 46 -10.778 5.197 -9.501 1.00 0.00 O ATOM 2067 CB TRP B 46 -12.209 2.957 -7.694 1.00 0.00 C ATOM 2068 CG TRP B 46 -12.177 1.892 -6.640 1.00 0.00 C ATOM 2069 CD1 TRP B 46 -11.985 2.073 -5.301 1.00 0.00 C ATOM 2070 CD2 TRP B 46 -12.347 0.481 -6.833 1.00 0.00 C ATOM 2071 NE1 TRP B 46 -12.032 0.865 -4.649 1.00 0.00 N ATOM 2072 CE2 TRP B 46 -12.249 -0.127 -5.568 1.00 0.00 C ATOM 2073 CE3 TRP B 46 -12.573 -0.326 -7.954 1.00 0.00 C ATOM 2074 CZ2 TRP B 46 -12.371 -1.505 -5.394 1.00 0.00 C ATOM 2075 CZ3 TRP B 46 -12.692 -1.692 -7.779 1.00 0.00 C ATOM 2076 CH2 TRP B 46 -12.590 -2.269 -6.507 1.00 0.00 C ATOM 0 H TRP B 46 -9.866 4.121 -7.210 1.00 0.00 H new ATOM 0 HA TRP B 46 -10.833 2.010 -9.035 1.00 0.00 H new ATOM 0 HB2 TRP B 46 -12.324 3.927 -7.211 1.00 0.00 H new ATOM 0 HB3 TRP B 46 -13.089 2.806 -8.320 1.00 0.00 H new ATOM 0 HD1 TRP B 46 -11.820 3.028 -4.823 1.00 0.00 H new ATOM 0 HE1 TRP B 46 -11.923 0.729 -3.644 1.00 0.00 H new ATOM 0 HE3 TRP B 46 -12.653 0.111 -8.938 1.00 0.00 H new ATOM 0 HZ2 TRP B 46 -12.295 -1.953 -4.414 1.00 0.00 H new ATOM 0 HZ3 TRP B 46 -12.866 -2.324 -8.637 1.00 0.00 H new ATOM 0 HH2 TRP B 46 -12.686 -3.340 -6.403 1.00 0.00 H new ATOM 2087 N SER B 47 -11.760 3.635 -10.784 1.00 0.00 N ATOM 2088 CA SER B 47 -12.002 4.544 -11.892 1.00 0.00 C ATOM 2089 C SER B 47 -13.456 5.019 -11.889 1.00 0.00 C ATOM 2090 O SER B 47 -14.335 4.328 -11.366 1.00 0.00 O ATOM 2091 CB SER B 47 -11.651 3.851 -13.211 1.00 0.00 C ATOM 2092 OG SER B 47 -12.278 2.582 -13.313 1.00 0.00 O ATOM 0 H SER B 47 -12.086 2.681 -10.941 1.00 0.00 H new ATOM 0 HA SER B 47 -11.367 5.423 -11.781 1.00 0.00 H new ATOM 0 HB2 SER B 47 -11.959 4.479 -14.047 1.00 0.00 H new ATOM 0 HB3 SER B 47 -10.570 3.731 -13.284 1.00 0.00 H new ATOM 0 HG SER B 47 -12.036 2.165 -14.166 1.00 0.00 H new ATOM 2202 N LYS B 55 -5.027 0.163 -11.127 1.00 0.00 N ATOM 2203 CA LYS B 55 -4.298 -0.957 -10.557 1.00 0.00 C ATOM 2204 C LYS B 55 -4.101 -0.785 -9.057 1.00 0.00 C ATOM 2205 O LYS B 55 -4.410 0.264 -8.488 1.00 0.00 O ATOM 2206 CB LYS B 55 -2.938 -1.122 -11.244 1.00 0.00 C ATOM 2207 CG LYS B 55 -3.026 -1.407 -12.736 1.00 0.00 C ATOM 2208 CD LYS B 55 -3.883 -2.627 -13.026 1.00 0.00 C ATOM 2209 CE LYS B 55 -3.864 -2.983 -14.503 1.00 0.00 C ATOM 2210 NZ LYS B 55 -2.555 -3.549 -14.920 1.00 0.00 N ATOM 0 HA LYS B 55 -4.893 -1.855 -10.724 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -2.354 -0.214 -11.092 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -2.395 -1.935 -10.761 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -3.443 -0.540 -13.248 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -2.024 -1.563 -13.136 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -3.522 -3.474 -12.442 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -4.909 -2.436 -12.710 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -4.654 -3.704 -14.713 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -4.079 -2.093 -15.094 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -2.629 -3.918 -15.889 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -1.829 -2.805 -14.888 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -2.289 -4.320 -14.275 1.00 0.00 H new ATOM 2224 N GLY B 56 -3.591 -1.833 -8.435 1.00 0.00 N ATOM 2225 CA GLY B 56 -3.321 -1.815 -7.019 1.00 0.00 C ATOM 2226 C GLY B 56 -2.520 -3.029 -6.611 1.00 0.00 C ATOM 2227 O GLY B 56 -2.196 -3.869 -7.454 1.00 0.00 O ATOM 0 H GLY B 56 -3.356 -2.711 -8.898 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -2.774 -0.909 -6.760 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -4.260 -1.790 -6.465 1.00 0.00 H new ATOM 2231 N ILE B 57 -2.208 -3.140 -5.334 1.00 0.00 N ATOM 2232 CA ILE B 57 -1.403 -4.248 -4.854 1.00 0.00 C ATOM 2233 C ILE B 57 -2.031 -4.885 -3.614 1.00 0.00 C ATOM 2234 O ILE B 57 -2.563 -4.196 -2.745 1.00 0.00 O ATOM 2235 CB ILE B 57 0.046 -3.798 -4.561 1.00 0.00 C ATOM 2236 CG1 ILE B 57 0.927 -5.002 -4.231 1.00 0.00 C ATOM 2237 CG2 ILE B 57 0.082 -2.778 -3.432 1.00 0.00 C ATOM 2238 CD1 ILE B 57 2.401 -4.675 -4.191 1.00 0.00 C ATOM 0 H ILE B 57 -2.498 -2.480 -4.613 1.00 0.00 H new ATOM 0 HA ILE B 57 -1.370 -4.999 -5.643 1.00 0.00 H new ATOM 0 HB ILE B 57 0.440 -3.320 -5.458 1.00 0.00 H new ATOM 0 HG12 ILE B 57 0.627 -5.409 -3.265 1.00 0.00 H new ATOM 0 HG13 ILE B 57 0.756 -5.782 -4.973 1.00 0.00 H new ATOM 0 HG21 ILE B 57 1.113 -2.478 -3.246 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -0.505 -1.904 -3.713 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -0.336 -3.221 -2.528 1.00 0.00 H new ATOM 0 HD11 ILE B 57 2.967 -5.575 -3.951 1.00 0.00 H new ATOM 0 HD12 ILE B 57 2.716 -4.296 -5.163 1.00 0.00 H new ATOM 0 HD13 ILE B 57 2.585 -3.917 -3.429 1.00 0.00 H new ATOM 2250 N THR B 58 -1.970 -6.209 -3.553 1.00 0.00 N ATOM 2251 CA THR B 58 -2.578 -6.959 -2.469 1.00 0.00 C ATOM 2252 C THR B 58 -1.519 -7.370 -1.450 1.00 0.00 C ATOM 2253 O THR B 58 -0.479 -7.922 -1.816 1.00 0.00 O ATOM 2254 CB THR B 58 -3.270 -8.224 -3.014 1.00 0.00 C ATOM 2255 OG1 THR B 58 -3.867 -7.934 -4.287 1.00 0.00 O ATOM 2256 CG2 THR B 58 -4.339 -8.717 -2.047 1.00 0.00 C ATOM 0 H THR B 58 -1.500 -6.787 -4.250 1.00 0.00 H new ATOM 0 HA THR B 58 -3.318 -6.320 -1.987 1.00 0.00 H new ATOM 0 HB THR B 58 -2.521 -9.007 -3.128 1.00 0.00 H new ATOM 0 HG1 THR B 58 -4.598 -7.293 -4.167 1.00 0.00 H new ATOM 0 HG21 THR B 58 -4.813 -9.610 -2.453 1.00 0.00 H new ATOM 0 HG22 THR B 58 -3.880 -8.954 -1.087 1.00 0.00 H new ATOM 0 HG23 THR B 58 -5.090 -7.939 -1.907 1.00 0.00 H new ATOM 2264 N LEU B 59 -1.780 -7.094 -0.181 1.00 0.00 N ATOM 2265 CA LEU B 59 -0.845 -7.438 0.879 1.00 0.00 C ATOM 2266 C LEU B 59 -1.448 -8.506 1.785 1.00 0.00 C ATOM 2267 O LEU B 59 -2.646 -8.475 2.081 1.00 0.00 O ATOM 2268 CB LEU B 59 -0.480 -6.194 1.700 1.00 0.00 C ATOM 2269 CG LEU B 59 0.007 -4.990 0.886 1.00 0.00 C ATOM 2270 CD1 LEU B 59 0.434 -3.863 1.813 1.00 0.00 C ATOM 2271 CD2 LEU B 59 1.150 -5.384 -0.036 1.00 0.00 C ATOM 0 H LEU B 59 -2.631 -6.633 0.139 1.00 0.00 H new ATOM 0 HA LEU B 59 0.064 -7.832 0.424 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -1.353 -5.891 2.278 1.00 0.00 H new ATOM 0 HB3 LEU B 59 0.297 -6.466 2.415 1.00 0.00 H new ATOM 0 HG LEU B 59 -0.820 -4.639 0.268 1.00 0.00 H new ATOM 0 HD11 LEU B 59 0.777 -3.015 1.221 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -0.412 -3.557 2.428 1.00 0.00 H new ATOM 0 HD13 LEU B 59 1.244 -4.208 2.456 1.00 0.00 H new ATOM 0 HD21 LEU B 59 1.478 -4.512 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU B 59 1.981 -5.765 0.557 1.00 0.00 H new ATOM 0 HD23 LEU B 59 0.812 -6.158 -0.725 1.00 0.00 H new ATOM 2283 N SER B 60 -0.627 -9.457 2.205 1.00 0.00 N ATOM 2284 CA SER B 60 -1.079 -10.517 3.090 1.00 0.00 C ATOM 2285 C SER B 60 -1.092 -10.030 4.538 1.00 0.00 C ATOM 2286 O SER B 60 -0.615 -8.931 4.839 1.00 0.00 O ATOM 2287 CB SER B 60 -0.177 -11.747 2.941 1.00 0.00 C ATOM 2288 OG SER B 60 -0.697 -12.865 3.646 1.00 0.00 O ATOM 0 H SER B 60 0.358 -9.515 1.946 1.00 0.00 H new ATOM 0 HA SER B 60 -2.096 -10.797 2.815 1.00 0.00 H new ATOM 0 HB2 SER B 60 -0.074 -11.998 1.885 1.00 0.00 H new ATOM 0 HB3 SER B 60 0.821 -11.514 3.312 1.00 0.00 H new ATOM 0 HG SER B 60 -0.099 -13.633 3.529 1.00 0.00 H new ATOM 2294 N ASN B 61 -1.624 -10.867 5.425 1.00 0.00 N ATOM 2295 CA ASN B 61 -1.809 -10.523 6.836 1.00 0.00 C ATOM 2296 C ASN B 61 -0.518 -10.017 7.469 1.00 0.00 C ATOM 2297 O ASN B 61 -0.470 -8.909 8.007 1.00 0.00 O ATOM 2298 CB ASN B 61 -2.315 -11.740 7.623 1.00 0.00 C ATOM 2299 CG ASN B 61 -3.678 -12.228 7.166 1.00 0.00 C ATOM 2300 OD1 ASN B 61 -4.031 -12.133 5.991 1.00 0.00 O ATOM 2301 ND2 ASN B 61 -4.451 -12.764 8.097 1.00 0.00 N ATOM 0 H ASN B 61 -1.941 -11.807 5.187 1.00 0.00 H new ATOM 0 HA ASN B 61 -2.549 -9.723 6.877 1.00 0.00 H new ATOM 0 HB2 ASN B 61 -1.595 -12.552 7.525 1.00 0.00 H new ATOM 0 HB3 ASN B 61 -2.365 -11.484 8.681 1.00 0.00 H new ATOM 0 HD21 ASN B 61 -5.376 -13.117 7.851 1.00 0.00 H new ATOM 0 HD22 ASN B 61 -4.122 -12.825 9.061 1.00 0.00 H new ATOM 2308 N GLU B 62 0.528 -10.833 7.402 1.00 0.00 N ATOM 2309 CA GLU B 62 1.807 -10.492 8.016 1.00 0.00 C ATOM 2310 C GLU B 62 2.429 -9.270 7.352 1.00 0.00 C ATOM 2311 O GLU B 62 2.917 -8.370 8.027 1.00 0.00 O ATOM 2312 CB GLU B 62 2.770 -11.677 7.938 1.00 0.00 C ATOM 2313 CG GLU B 62 2.308 -12.885 8.734 1.00 0.00 C ATOM 2314 CD GLU B 62 2.057 -12.551 10.188 1.00 0.00 C ATOM 2315 OE1 GLU B 62 3.037 -12.429 10.951 1.00 0.00 O ATOM 2316 OE2 GLU B 62 0.880 -12.397 10.574 1.00 0.00 O ATOM 0 H GLU B 62 0.516 -11.736 6.928 1.00 0.00 H new ATOM 0 HA GLU B 62 1.621 -10.254 9.063 1.00 0.00 H new ATOM 0 HB2 GLU B 62 2.895 -11.965 6.894 1.00 0.00 H new ATOM 0 HB3 GLU B 62 3.749 -11.364 8.302 1.00 0.00 H new ATOM 0 HG2 GLU B 62 1.394 -13.281 8.291 1.00 0.00 H new ATOM 0 HG3 GLU B 62 3.061 -13.670 8.668 1.00 0.00 H new ATOM 2323 N GLU B 63 2.381 -9.240 6.029 1.00 0.00 N ATOM 2324 CA GLU B 63 2.977 -8.157 5.258 1.00 0.00 C ATOM 2325 C GLU B 63 2.326 -6.822 5.611 1.00 0.00 C ATOM 2326 O GLU B 63 3.002 -5.801 5.746 1.00 0.00 O ATOM 2327 CB GLU B 63 2.823 -8.445 3.766 1.00 0.00 C ATOM 2328 CG GLU B 63 3.294 -9.837 3.374 1.00 0.00 C ATOM 2329 CD GLU B 63 3.045 -10.143 1.913 1.00 0.00 C ATOM 2330 OE1 GLU B 63 1.895 -9.985 1.456 1.00 0.00 O ATOM 2331 OE2 GLU B 63 3.995 -10.530 1.206 1.00 0.00 O ATOM 0 H GLU B 63 1.932 -9.959 5.462 1.00 0.00 H new ATOM 0 HA GLU B 63 4.037 -8.092 5.503 1.00 0.00 H new ATOM 0 HB2 GLU B 63 1.776 -8.330 3.486 1.00 0.00 H new ATOM 0 HB3 GLU B 63 3.387 -7.704 3.199 1.00 0.00 H new ATOM 0 HG2 GLU B 63 4.359 -9.929 3.585 1.00 0.00 H new ATOM 0 HG3 GLU B 63 2.782 -10.577 3.989 1.00 0.00 H new ATOM 2338 N PHE B 64 1.008 -6.843 5.777 1.00 0.00 N ATOM 2339 CA PHE B 64 0.263 -5.649 6.145 1.00 0.00 C ATOM 2340 C PHE B 64 0.629 -5.219 7.564 1.00 0.00 C ATOM 2341 O PHE B 64 0.894 -4.043 7.815 1.00 0.00 O ATOM 2342 CB PHE B 64 -1.239 -5.917 6.032 1.00 0.00 C ATOM 2343 CG PHE B 64 -2.077 -4.675 5.908 1.00 0.00 C ATOM 2344 CD1 PHE B 64 -2.083 -3.944 4.731 1.00 0.00 C ATOM 2345 CD2 PHE B 64 -2.863 -4.242 6.963 1.00 0.00 C ATOM 2346 CE1 PHE B 64 -2.855 -2.807 4.609 1.00 0.00 C ATOM 2347 CE2 PHE B 64 -3.639 -3.106 6.848 1.00 0.00 C ATOM 2348 CZ PHE B 64 -3.635 -2.388 5.669 1.00 0.00 C ATOM 0 H PHE B 64 0.434 -7.678 5.662 1.00 0.00 H new ATOM 0 HA PHE B 64 0.523 -4.840 5.463 1.00 0.00 H new ATOM 0 HB2 PHE B 64 -1.420 -6.552 5.165 1.00 0.00 H new ATOM 0 HB3 PHE B 64 -1.564 -6.476 6.910 1.00 0.00 H new ATOM 0 HD1 PHE B 64 -1.476 -4.268 3.899 1.00 0.00 H new ATOM 0 HD2 PHE B 64 -2.869 -4.800 7.888 1.00 0.00 H new ATOM 0 HE1 PHE B 64 -2.849 -2.246 3.686 1.00 0.00 H new ATOM 0 HE2 PHE B 64 -4.248 -2.780 7.678 1.00 0.00 H new ATOM 0 HZ PHE B 64 -4.241 -1.499 5.576 1.00 0.00 H new ATOM 2358 N GLN B 65 0.665 -6.185 8.481 1.00 0.00 N ATOM 2359 CA GLN B 65 1.049 -5.927 9.868 1.00 0.00 C ATOM 2360 C GLN B 65 2.443 -5.313 9.941 1.00 0.00 C ATOM 2361 O GLN B 65 2.671 -4.353 10.683 1.00 0.00 O ATOM 2362 CB GLN B 65 1.016 -7.224 10.681 1.00 0.00 C ATOM 2363 CG GLN B 65 -0.387 -7.722 10.984 1.00 0.00 C ATOM 2364 CD GLN B 65 -0.982 -7.110 12.241 1.00 0.00 C ATOM 2365 OE1 GLN B 65 -0.561 -5.902 12.587 1.00 0.00 O flip ATOM 2366 NE2 GLN B 65 -1.805 -7.731 12.910 1.00 0.00 N flip ATOM 0 H GLN B 65 0.431 -7.159 8.287 1.00 0.00 H new ATOM 0 HA GLN B 65 0.333 -5.221 10.288 1.00 0.00 H new ATOM 0 HB2 GLN B 65 1.556 -7.998 10.135 1.00 0.00 H new ATOM 0 HB3 GLN B 65 1.546 -7.067 11.620 1.00 0.00 H new ATOM 0 HG2 GLN B 65 -1.036 -7.498 10.137 1.00 0.00 H new ATOM 0 HG3 GLN B 65 -0.365 -8.807 11.091 1.00 0.00 H new ATOM 0 HE21 GLN B 65 -2.107 -8.659 12.614 1.00 0.00 H new ATOM 0 HE22 GLN B 65 -2.186 -7.318 13.761 1.00 0.00 H new ATOM 2375 N THR B 66 3.358 -5.876 9.162 1.00 0.00 N ATOM 2376 CA THR B 66 4.732 -5.407 9.099 1.00 0.00 C ATOM 2377 C THR B 66 4.805 -3.912 8.788 1.00 0.00 C ATOM 2378 O THR B 66 5.450 -3.150 9.518 1.00 0.00 O ATOM 2379 CB THR B 66 5.519 -6.205 8.035 1.00 0.00 C ATOM 2380 OG1 THR B 66 5.630 -7.574 8.442 1.00 0.00 O ATOM 2381 CG2 THR B 66 6.907 -5.622 7.805 1.00 0.00 C ATOM 0 H THR B 66 3.165 -6.673 8.555 1.00 0.00 H new ATOM 0 HA THR B 66 5.181 -5.567 10.079 1.00 0.00 H new ATOM 0 HB THR B 66 4.970 -6.140 7.095 1.00 0.00 H new ATOM 0 HG1 THR B 66 4.760 -8.015 8.346 1.00 0.00 H new ATOM 0 HG21 THR B 66 7.428 -6.211 7.050 1.00 0.00 H new ATOM 0 HG22 THR B 66 6.816 -4.591 7.462 1.00 0.00 H new ATOM 0 HG23 THR B 66 7.471 -5.646 8.738 1.00 0.00 H new ATOM 2389 N MET B 67 4.127 -3.487 7.726 1.00 0.00 N ATOM 2390 CA MET B 67 4.209 -2.103 7.289 1.00 0.00 C ATOM 2391 C MET B 67 3.430 -1.182 8.228 1.00 0.00 C ATOM 2392 O MET B 67 3.866 -0.067 8.506 1.00 0.00 O ATOM 2393 CB MET B 67 3.738 -1.957 5.829 1.00 0.00 C ATOM 2394 CG MET B 67 2.228 -1.972 5.615 1.00 0.00 C ATOM 2395 SD MET B 67 1.473 -0.353 5.885 1.00 0.00 S ATOM 2396 CE MET B 67 -0.212 -0.668 5.379 1.00 0.00 C ATOM 0 H MET B 67 3.520 -4.078 7.158 1.00 0.00 H new ATOM 0 HA MET B 67 5.255 -1.797 7.328 1.00 0.00 H new ATOM 0 HB2 MET B 67 4.133 -1.022 5.431 1.00 0.00 H new ATOM 0 HB3 MET B 67 4.177 -2.764 5.243 1.00 0.00 H new ATOM 0 HG2 MET B 67 2.012 -2.305 4.600 1.00 0.00 H new ATOM 0 HG3 MET B 67 1.776 -2.697 6.292 1.00 0.00 H new ATOM 0 HE1 MET B 67 -0.513 0.071 4.636 1.00 0.00 H new ATOM 0 HE2 MET B 67 -0.281 -1.666 4.947 1.00 0.00 H new ATOM 0 HE3 MET B 67 -0.870 -0.601 6.245 1.00 0.00 H new ATOM 2406 N VAL B 68 2.296 -1.662 8.740 1.00 0.00 N ATOM 2407 CA VAL B 68 1.482 -0.869 9.656 1.00 0.00 C ATOM 2408 C VAL B 68 2.259 -0.530 10.916 1.00 0.00 C ATOM 2409 O VAL B 68 2.300 0.621 11.333 1.00 0.00 O ATOM 2410 CB VAL B 68 0.165 -1.581 10.039 1.00 0.00 C ATOM 2411 CG1 VAL B 68 -0.523 -0.873 11.202 1.00 0.00 C ATOM 2412 CG2 VAL B 68 -0.768 -1.643 8.841 1.00 0.00 C ATOM 0 H VAL B 68 1.924 -2.590 8.537 1.00 0.00 H new ATOM 0 HA VAL B 68 1.227 0.049 9.127 1.00 0.00 H new ATOM 0 HB VAL B 68 0.409 -2.596 10.353 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -1.447 -1.395 11.451 1.00 0.00 H new ATOM 0 HG12 VAL B 68 0.137 -0.872 12.069 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -0.752 0.154 10.919 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -1.692 -2.147 9.125 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -0.995 -0.632 8.504 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -0.287 -2.195 8.033 1.00 0.00 H new ATOM 2422 N ASP B 69 2.892 -1.532 11.511 1.00 0.00 N ATOM 2423 CA ASP B 69 3.659 -1.321 12.732 1.00 0.00 C ATOM 2424 C ASP B 69 4.824 -0.372 12.491 1.00 0.00 C ATOM 2425 O ASP B 69 5.109 0.503 13.312 1.00 0.00 O ATOM 2426 CB ASP B 69 4.186 -2.644 13.278 1.00 0.00 C ATOM 2427 CG ASP B 69 5.127 -2.436 14.446 1.00 0.00 C ATOM 2428 OD1 ASP B 69 4.650 -2.090 15.544 1.00 0.00 O ATOM 2429 OD2 ASP B 69 6.352 -2.605 14.262 1.00 0.00 O ATOM 0 H ASP B 69 2.890 -2.494 11.171 1.00 0.00 H new ATOM 0 HA ASP B 69 2.987 -0.875 13.465 1.00 0.00 H new ATOM 0 HB2 ASP B 69 3.348 -3.267 13.593 1.00 0.00 H new ATOM 0 HB3 ASP B 69 4.704 -3.184 12.485 1.00 0.00 H new ATOM 2434 N ALA B 70 5.482 -0.538 11.352 1.00 0.00 N ATOM 2435 CA ALA B 70 6.635 0.279 11.010 1.00 0.00 C ATOM 2436 C ALA B 70 6.238 1.739 10.820 1.00 0.00 C ATOM 2437 O ALA B 70 6.883 2.635 11.357 1.00 0.00 O ATOM 2438 CB ALA B 70 7.312 -0.257 9.763 1.00 0.00 C ATOM 0 H ALA B 70 5.235 -1.234 10.648 1.00 0.00 H new ATOM 0 HA ALA B 70 7.342 0.230 11.838 1.00 0.00 H new ATOM 0 HB1 ALA B 70 8.173 0.366 9.520 1.00 0.00 H new ATOM 0 HB2 ALA B 70 7.643 -1.281 9.940 1.00 0.00 H new ATOM 0 HB3 ALA B 70 6.607 -0.242 8.931 1.00 0.00 H new ATOM 2444 N PHE B 71 5.166 1.972 10.068 1.00 0.00 N ATOM 2445 CA PHE B 71 4.688 3.328 9.830 1.00 0.00 C ATOM 2446 C PHE B 71 4.022 3.893 11.080 1.00 0.00 C ATOM 2447 O PHE B 71 3.989 5.104 11.282 1.00 0.00 O ATOM 2448 CB PHE B 71 3.723 3.361 8.644 1.00 0.00 C ATOM 2449 CG PHE B 71 4.374 3.025 7.332 1.00 0.00 C ATOM 2450 CD1 PHE B 71 5.657 3.470 7.039 1.00 0.00 C ATOM 2451 CD2 PHE B 71 3.702 2.271 6.385 1.00 0.00 C ATOM 2452 CE1 PHE B 71 6.252 3.166 5.831 1.00 0.00 C ATOM 2453 CE2 PHE B 71 4.293 1.965 5.178 1.00 0.00 C ATOM 2454 CZ PHE B 71 5.568 2.413 4.900 1.00 0.00 C ATOM 0 H PHE B 71 4.615 1.243 9.615 1.00 0.00 H new ATOM 0 HA PHE B 71 5.547 3.953 9.589 1.00 0.00 H new ATOM 0 HB2 PHE B 71 2.910 2.658 8.828 1.00 0.00 H new ATOM 0 HB3 PHE B 71 3.277 4.353 8.576 1.00 0.00 H new ATOM 0 HD1 PHE B 71 6.195 4.061 7.765 1.00 0.00 H new ATOM 0 HD2 PHE B 71 2.703 1.918 6.595 1.00 0.00 H new ATOM 0 HE1 PHE B 71 7.250 3.517 5.616 1.00 0.00 H new ATOM 0 HE2 PHE B 71 3.758 1.374 4.449 1.00 0.00 H new ATOM 0 HZ PHE B 71 6.030 2.174 3.954 1.00 0.00 H new ATOM 2464 N LYS B 72 3.495 3.006 11.916 1.00 0.00 N ATOM 2465 CA LYS B 72 2.948 3.395 13.209 1.00 0.00 C ATOM 2466 C LYS B 72 4.016 4.093 14.042 1.00 0.00 C ATOM 2467 O LYS B 72 3.740 5.053 14.759 1.00 0.00 O ATOM 2468 CB LYS B 72 2.407 2.159 13.940 1.00 0.00 C ATOM 2469 CG LYS B 72 2.049 2.394 15.398 1.00 0.00 C ATOM 2470 CD LYS B 72 1.056 1.357 15.902 1.00 0.00 C ATOM 2471 CE LYS B 72 1.560 -0.072 15.739 1.00 0.00 C ATOM 2472 NZ LYS B 72 2.701 -0.379 16.638 1.00 0.00 N ATOM 0 H LYS B 72 3.435 2.007 11.719 1.00 0.00 H new ATOM 0 HA LYS B 72 2.125 4.093 13.055 1.00 0.00 H new ATOM 0 HB2 LYS B 72 1.521 1.801 13.415 1.00 0.00 H new ATOM 0 HB3 LYS B 72 3.152 1.365 13.886 1.00 0.00 H new ATOM 0 HG2 LYS B 72 2.953 2.359 16.006 1.00 0.00 H new ATOM 0 HG3 LYS B 72 1.625 3.392 15.514 1.00 0.00 H new ATOM 0 HD2 LYS B 72 0.844 1.545 16.955 1.00 0.00 H new ATOM 0 HD3 LYS B 72 0.115 1.469 15.363 1.00 0.00 H new ATOM 0 HE2 LYS B 72 0.745 -0.767 15.942 1.00 0.00 H new ATOM 0 HE3 LYS B 72 1.864 -0.231 14.704 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 3.529 -0.647 16.069 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 2.929 0.460 17.208 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 2.445 -1.166 17.268 1.00 0.00 H new ATOM 2486 N GLY B 73 5.240 3.607 13.928 1.00 0.00 N ATOM 2487 CA GLY B 73 6.355 4.241 14.595 1.00 0.00 C ATOM 2488 C GLY B 73 7.239 5.036 13.646 1.00 0.00 C ATOM 2489 O GLY B 73 8.455 5.104 13.842 1.00 0.00 O ATOM 0 H GLY B 73 5.482 2.780 13.382 1.00 0.00 H new ATOM 0 HA2 GLY B 73 5.977 4.905 15.373 1.00 0.00 H new ATOM 0 HA3 GLY B 73 6.956 3.479 15.091 1.00 0.00 H new ATOM 2493 N ASN B 74 6.638 5.639 12.625 1.00 0.00 N ATOM 2494 CA ASN B 74 7.382 6.443 11.658 1.00 0.00 C ATOM 2495 C ASN B 74 6.471 7.519 11.062 1.00 0.00 C ATOM 2496 O ASN B 74 5.299 7.615 11.437 1.00 0.00 O ATOM 2497 CB ASN B 74 7.954 5.550 10.547 1.00 0.00 C ATOM 2498 CG ASN B 74 9.166 6.162 9.864 1.00 0.00 C ATOM 2499 OD1 ASN B 74 9.041 6.927 8.907 1.00 0.00 O ATOM 2500 ND2 ASN B 74 10.352 5.828 10.353 1.00 0.00 N ATOM 0 H ASN B 74 5.635 5.587 12.445 1.00 0.00 H new ATOM 0 HA ASN B 74 8.212 6.929 12.170 1.00 0.00 H new ATOM 0 HB2 ASN B 74 8.230 4.584 10.970 1.00 0.00 H new ATOM 0 HB3 ASN B 74 7.180 5.363 9.803 1.00 0.00 H new ATOM 0 HD21 ASN B 74 11.201 6.208 9.935 1.00 0.00 H new ATOM 0 HD22 ASN B 74 10.415 5.191 11.147 1.00 0.00 H new ATOM 2507 N LEU B 75 7.012 8.317 10.136 1.00 0.00 N ATOM 2508 CA LEU B 75 6.289 9.444 9.537 1.00 0.00 C ATOM 2509 C LEU B 75 5.786 10.400 10.614 1.00 0.00 C ATOM 2510 O LEU B 75 6.288 10.391 11.743 1.00 0.00 O ATOM 2511 CB LEU B 75 5.116 8.977 8.658 1.00 0.00 C ATOM 2512 CG LEU B 75 5.502 8.358 7.311 1.00 0.00 C ATOM 2513 CD1 LEU B 75 5.874 6.892 7.471 1.00 0.00 C ATOM 2514 CD2 LEU B 75 4.369 8.520 6.308 1.00 0.00 C ATOM 0 H LEU B 75 7.961 8.201 9.781 1.00 0.00 H new ATOM 0 HA LEU B 75 6.997 9.970 8.896 1.00 0.00 H new ATOM 0 HB2 LEU B 75 4.533 8.246 9.219 1.00 0.00 H new ATOM 0 HB3 LEU B 75 4.463 9.830 8.472 1.00 0.00 H new ATOM 0 HG LEU B 75 6.377 8.886 6.932 1.00 0.00 H new ATOM 0 HD11 LEU B 75 6.144 6.477 6.500 1.00 0.00 H new ATOM 0 HD12 LEU B 75 6.721 6.804 8.151 1.00 0.00 H new ATOM 0 HD13 LEU B 75 5.024 6.343 7.877 1.00 0.00 H new ATOM 0 HD21 LEU B 75 4.659 8.075 5.356 1.00 0.00 H new ATOM 0 HD22 LEU B 75 3.476 8.021 6.684 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.159 9.580 6.164 1.00 0.00 H new ATOM 2526 N GLU B 76 4.819 11.250 10.243 1.00 0.00 N ATOM 2527 CA GLU B 76 4.204 12.190 11.178 1.00 0.00 C ATOM 2528 C GLU B 76 5.228 13.238 11.637 1.00 0.00 C ATOM 2529 O GLU B 76 6.432 13.076 11.437 1.00 0.00 O ATOM 2530 CB GLU B 76 3.620 11.407 12.372 1.00 0.00 C ATOM 2531 CG GLU B 76 2.847 12.245 13.375 1.00 0.00 C ATOM 2532 CD GLU B 76 2.195 11.398 14.449 1.00 0.00 C ATOM 2533 OE1 GLU B 76 1.177 10.738 14.152 1.00 0.00 O ATOM 2534 OE2 GLU B 76 2.685 11.384 15.592 1.00 0.00 O ATOM 0 H GLU B 76 4.447 11.302 9.295 1.00 0.00 H new ATOM 0 HA GLU B 76 3.394 12.725 10.683 1.00 0.00 H new ATOM 0 HB2 GLU B 76 2.961 10.628 11.988 1.00 0.00 H new ATOM 0 HB3 GLU B 76 4.436 10.906 12.893 1.00 0.00 H new ATOM 0 HG2 GLU B 76 3.521 12.964 13.841 1.00 0.00 H new ATOM 0 HG3 GLU B 76 2.081 12.819 12.853 1.00 0.00 H new