USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1017 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 HIS : no HE2:sc= -0.267 K(o=0.69,f=-12!) USER MOD Set 1.2: B 11 GLN : amide:sc= 0.953 K(o=0.69,f=-1.1) USER MOD Set 2.1: A 60 GLN : amide:sc= 0.147 K(o=1.3,f=-1.1) USER MOD Set 2.2: A 63 LYS NZ :NH3+ -99:sc= 1.16 (180deg=0.366) USER MOD Set 3.1: A 48 LYS NZ :NH3+ -162:sc= 2.4 (180deg=1.19) USER MOD Set 3.2: B 33 SER OG : rot 68:sc= 2.25 USER MOD Set 4.1: A 30 THR OG1 : rot 180:sc= -0.129 USER MOD Set 4.2: B 48 LYS NZ :NH3+ -165:sc= -0.0253 (180deg=-0.235) USER MOD Single : A 8 SER OG : rot 38:sc= 0.178 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.034 USER MOD Single : A 11 GLN : amide:sc=-0.00421 K(o=-0.0042,f=-0.63) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -168:sc= -0.0295 (180deg=-0.187) USER MOD Single : A 27 LYS NZ :NH3+ 157:sc= 0.492 (180deg=-0.868!) USER MOD Single : A 33 SER OG : rot 180:sc= -0.0379 USER MOD Single : A 35 MET CE :methyl -155:sc= -0.207 (180deg=-0.865) USER MOD Single : A 39 ASN : amide:sc= 1.24 K(o=1.2,f=-0.0047) USER MOD Single : A 40 CYS SG : rot 63:sc= 1.12 USER MOD Single : A 42 THR OG1 : rot 44:sc= 0.39 USER MOD Single : A 43 HIS : no HD1:sc=-0.00192 X(o=-0.0019,f=0) USER MOD Single : A 51 SER OG : rot 180:sc=0.000973 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 68 SER OG : rot 150:sc= -1.17 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 SER OG : rot 36:sc= 0.105 USER MOD Single : B 9 ASN : amide:sc= -0.535 K(o=-0.53,f=0) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0.00989 USER MOD Single : B 14 SER OG : rot 98:sc= 1.25 USER MOD Single : B 25 LYS NZ :NH3+ 174:sc= 1.31 (180deg=1.14) USER MOD Single : B 26 HIS : no HD1:sc= 0.853 K(o=0.85,f=-6.4!) USER MOD Single : B 27 LYS NZ :NH3+ -165:sc= -0.016 (180deg=-0.208) USER MOD Single : B 30 THR OG1 : rot 180:sc= -0.175 USER MOD Single : B 35 MET CE :methyl -157:sc= -0.136 (180deg=-0.739) USER MOD Single : B 39 ASN : amide:sc= -0.0252 K(o=-0.025,f=-1.5!) USER MOD Single : B 40 CYS SG : rot -171:sc= -0.837 USER MOD Single : B 42 THR OG1 : rot 79:sc= 0.747 USER MOD Single : B 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 51 SER OG : rot 180:sc= 0.0289 USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 55 GLN : amide:sc= 0.153 K(o=0.15,f=-3!) USER MOD Single : B 60 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 GLN : amide:sc= -0.0452 K(o=-0.045,f=-0.61) USER MOD Single : B 68 SER OG : rot 70:sc= 1.21 USER MOD Single : B 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 SER OG : rot -74:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 120 N SER A 8 -0.900 19.414 -3.050 1.00 0.00 N ATOM 121 CA SER A 8 0.397 20.053 -3.018 1.00 0.00 C ATOM 122 C SER A 8 1.441 18.995 -2.684 1.00 0.00 C ATOM 123 O SER A 8 1.155 18.070 -1.920 1.00 0.00 O ATOM 124 CB SER A 8 0.404 21.166 -1.970 1.00 0.00 C ATOM 125 OG SER A 8 -0.674 22.062 -2.179 1.00 0.00 O ATOM 0 HA SER A 8 0.624 20.501 -3.986 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.334 20.732 -0.972 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.348 21.709 -2.016 1.00 0.00 H new ATOM 0 HG SER A 8 -1.464 21.561 -2.472 1.00 0.00 H new ATOM 131 N ASN A 9 2.631 19.111 -3.261 1.00 0.00 N ATOM 132 CA ASN A 9 3.688 18.125 -3.027 1.00 0.00 C ATOM 133 C ASN A 9 3.975 17.980 -1.533 1.00 0.00 C ATOM 134 O ASN A 9 4.151 16.870 -1.028 1.00 0.00 O ATOM 135 CB ASN A 9 4.963 18.513 -3.781 1.00 0.00 C ATOM 136 CG ASN A 9 6.099 17.527 -3.560 1.00 0.00 C ATOM 137 OD1 ASN A 9 6.902 17.683 -2.638 1.00 0.00 O ATOM 138 ND2 ASN A 9 6.174 16.504 -4.398 1.00 0.00 N ATOM 0 H ASN A 9 2.891 19.871 -3.890 1.00 0.00 H new ATOM 0 HA ASN A 9 3.342 17.162 -3.404 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.745 18.576 -4.847 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.281 19.505 -3.461 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.915 15.811 -4.292 1.00 0.00 H new ATOM 0 HD22 ASN A 9 5.491 16.409 -5.149 1.00 0.00 H new ATOM 145 N THR A 10 3.990 19.105 -0.828 1.00 0.00 N ATOM 146 CA THR A 10 4.207 19.107 0.612 1.00 0.00 C ATOM 147 C THR A 10 3.069 18.407 1.351 1.00 0.00 C ATOM 148 O THR A 10 3.301 17.716 2.336 1.00 0.00 O ATOM 149 CB THR A 10 4.365 20.540 1.139 1.00 0.00 C ATOM 150 OG1 THR A 10 3.503 21.425 0.408 1.00 0.00 O ATOM 151 CG2 THR A 10 5.809 21.001 1.017 1.00 0.00 C ATOM 0 H THR A 10 3.854 20.031 -1.233 1.00 0.00 H new ATOM 0 HA THR A 10 5.128 18.556 0.800 1.00 0.00 H new ATOM 0 HB THR A 10 4.087 20.556 2.193 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.606 22.338 0.749 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.899 22.019 1.396 1.00 0.00 H new ATOM 0 HG22 THR A 10 6.452 20.339 1.597 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.112 20.975 -0.030 1.00 0.00 H new ATOM 159 N GLN A 11 1.846 18.582 0.862 1.00 0.00 N ATOM 160 CA GLN A 11 0.678 17.931 1.449 1.00 0.00 C ATOM 161 C GLN A 11 0.818 16.416 1.372 1.00 0.00 C ATOM 162 O GLN A 11 0.717 15.721 2.383 1.00 0.00 O ATOM 163 CB GLN A 11 -0.594 18.373 0.720 1.00 0.00 C ATOM 164 CG GLN A 11 -1.843 17.591 1.103 1.00 0.00 C ATOM 165 CD GLN A 11 -3.045 18.006 0.282 1.00 0.00 C ATOM 166 OE1 GLN A 11 -2.909 18.432 -0.865 1.00 0.00 O ATOM 167 NE2 GLN A 11 -4.231 17.874 0.855 1.00 0.00 N ATOM 0 H GLN A 11 1.636 19.172 0.057 1.00 0.00 H new ATOM 0 HA GLN A 11 0.609 18.224 2.497 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.766 19.430 0.923 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.435 18.276 -0.354 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.660 16.525 0.965 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.056 17.744 2.161 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.300 17.517 1.808 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.076 18.129 0.344 1.00 0.00 H new ATOM 176 N VAL A 12 1.070 15.917 0.168 1.00 0.00 N ATOM 177 CA VAL A 12 1.206 14.486 -0.056 1.00 0.00 C ATOM 178 C VAL A 12 2.337 13.913 0.790 1.00 0.00 C ATOM 179 O VAL A 12 2.158 12.913 1.485 1.00 0.00 O ATOM 180 CB VAL A 12 1.466 14.169 -1.546 1.00 0.00 C ATOM 181 CG1 VAL A 12 1.532 12.666 -1.777 1.00 0.00 C ATOM 182 CG2 VAL A 12 0.393 14.801 -2.422 1.00 0.00 C ATOM 0 H VAL A 12 1.184 16.486 -0.671 1.00 0.00 H new ATOM 0 HA VAL A 12 0.265 14.022 0.238 1.00 0.00 H new ATOM 0 HB VAL A 12 2.430 14.596 -1.822 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.716 12.468 -2.833 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.341 12.242 -1.182 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.587 12.211 -1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.593 14.567 -3.468 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.584 14.407 -2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.401 15.882 -2.284 1.00 0.00 H new ATOM 192 N GLU A 13 3.490 14.571 0.752 1.00 0.00 N ATOM 193 CA GLU A 13 4.651 14.105 1.495 1.00 0.00 C ATOM 194 C GLU A 13 4.413 14.206 3.001 1.00 0.00 C ATOM 195 O GLU A 13 4.855 13.346 3.759 1.00 0.00 O ATOM 196 CB GLU A 13 5.902 14.891 1.093 1.00 0.00 C ATOM 197 CG GLU A 13 7.179 14.365 1.730 1.00 0.00 C ATOM 198 CD GLU A 13 8.424 15.033 1.187 1.00 0.00 C ATOM 199 OE1 GLU A 13 8.773 16.132 1.669 1.00 0.00 O ATOM 200 OE2 GLU A 13 9.068 14.458 0.285 1.00 0.00 O ATOM 0 H GLU A 13 3.644 15.425 0.216 1.00 0.00 H new ATOM 0 HA GLU A 13 4.810 13.056 1.247 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.007 14.861 0.009 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.770 15.936 1.372 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.131 14.518 2.808 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.247 13.290 1.563 1.00 0.00 H new ATOM 207 N SER A 14 3.708 15.251 3.428 1.00 0.00 N ATOM 208 CA SER A 14 3.362 15.419 4.837 1.00 0.00 C ATOM 209 C SER A 14 2.596 14.206 5.354 1.00 0.00 C ATOM 210 O SER A 14 2.920 13.669 6.412 1.00 0.00 O ATOM 211 CB SER A 14 2.528 16.687 5.042 1.00 0.00 C ATOM 212 OG SER A 14 2.271 16.922 6.417 1.00 0.00 O ATOM 0 H SER A 14 3.365 15.994 2.819 1.00 0.00 H new ATOM 0 HA SER A 14 4.290 15.514 5.401 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.054 17.542 4.617 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.584 16.594 4.505 1.00 0.00 H new ATOM 0 HG SER A 14 1.738 17.739 6.515 1.00 0.00 H new ATOM 218 N LEU A 15 1.584 13.776 4.603 1.00 0.00 N ATOM 219 CA LEU A 15 0.813 12.598 4.982 1.00 0.00 C ATOM 220 C LEU A 15 1.716 11.376 5.055 1.00 0.00 C ATOM 221 O LEU A 15 1.733 10.677 6.066 1.00 0.00 O ATOM 222 CB LEU A 15 -0.339 12.341 4.002 1.00 0.00 C ATOM 223 CG LEU A 15 -1.657 13.055 4.325 1.00 0.00 C ATOM 224 CD1 LEU A 15 -1.515 14.562 4.200 1.00 0.00 C ATOM 225 CD2 LEU A 15 -2.767 12.548 3.418 1.00 0.00 C ATOM 0 H LEU A 15 1.282 14.222 3.737 1.00 0.00 H new ATOM 0 HA LEU A 15 0.383 12.786 5.966 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.018 12.643 3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.528 11.268 3.965 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.916 12.830 5.360 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.467 15.038 4.436 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.752 14.914 4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.224 14.817 3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.697 13.063 3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.504 12.741 2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.897 11.476 3.567 1.00 0.00 H new ATOM 237 N ILE A 16 2.486 11.150 3.992 1.00 0.00 N ATOM 238 CA ILE A 16 3.409 10.018 3.924 1.00 0.00 C ATOM 239 C ILE A 16 4.352 10.009 5.124 1.00 0.00 C ATOM 240 O ILE A 16 4.551 8.974 5.761 1.00 0.00 O ATOM 241 CB ILE A 16 4.250 10.056 2.628 1.00 0.00 C ATOM 242 CG1 ILE A 16 3.339 10.037 1.401 1.00 0.00 C ATOM 243 CG2 ILE A 16 5.225 8.884 2.582 1.00 0.00 C ATOM 244 CD1 ILE A 16 4.076 10.244 0.097 1.00 0.00 C ATOM 0 H ILE A 16 2.489 11.741 3.160 1.00 0.00 H new ATOM 0 HA ILE A 16 2.803 9.112 3.931 1.00 0.00 H new ATOM 0 HB ILE A 16 4.826 10.982 2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.813 9.083 1.364 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.582 10.814 1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.807 8.931 1.661 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.897 8.936 3.439 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.669 7.947 2.613 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.366 10.218 -0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.580 11.210 0.113 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.814 9.452 -0.034 1.00 0.00 H new ATOM 256 N ALA A 17 4.911 11.172 5.433 1.00 0.00 N ATOM 257 CA ALA A 17 5.848 11.310 6.539 1.00 0.00 C ATOM 258 C ALA A 17 5.220 10.867 7.854 1.00 0.00 C ATOM 259 O ALA A 17 5.857 10.180 8.648 1.00 0.00 O ATOM 260 CB ALA A 17 6.335 12.748 6.646 1.00 0.00 C ATOM 0 H ALA A 17 4.729 12.040 4.928 1.00 0.00 H new ATOM 0 HA ALA A 17 6.701 10.662 6.337 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.035 12.834 7.477 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.835 13.033 5.720 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.485 13.408 6.817 1.00 0.00 H new ATOM 266 N GLU A 18 3.965 11.249 8.078 1.00 0.00 N ATOM 267 CA GLU A 18 3.271 10.889 9.308 1.00 0.00 C ATOM 268 C GLU A 18 2.934 9.398 9.331 1.00 0.00 C ATOM 269 O GLU A 18 2.994 8.754 10.386 1.00 0.00 O ATOM 270 CB GLU A 18 2.007 11.733 9.484 1.00 0.00 C ATOM 271 CG GLU A 18 2.291 13.222 9.590 1.00 0.00 C ATOM 272 CD GLU A 18 1.067 14.027 9.965 1.00 0.00 C ATOM 273 OE1 GLU A 18 0.826 14.219 11.174 1.00 0.00 O ATOM 274 OE2 GLU A 18 0.342 14.482 9.059 1.00 0.00 O ATOM 0 H GLU A 18 3.411 11.805 7.426 1.00 0.00 H new ATOM 0 HA GLU A 18 3.939 11.096 10.144 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.340 11.556 8.641 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.481 11.405 10.381 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.070 13.386 10.334 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.679 13.582 8.637 1.00 0.00 H new ATOM 281 N ILE A 19 2.597 8.845 8.167 1.00 0.00 N ATOM 282 CA ILE A 19 2.379 7.406 8.045 1.00 0.00 C ATOM 283 C ILE A 19 3.660 6.675 8.450 1.00 0.00 C ATOM 284 O ILE A 19 3.628 5.662 9.155 1.00 0.00 O ATOM 285 CB ILE A 19 2.001 6.984 6.601 1.00 0.00 C ATOM 286 CG1 ILE A 19 0.898 7.876 6.016 1.00 0.00 C ATOM 287 CG2 ILE A 19 1.542 5.536 6.584 1.00 0.00 C ATOM 288 CD1 ILE A 19 -0.480 7.629 6.591 1.00 0.00 C ATOM 0 H ILE A 19 2.470 9.368 7.301 1.00 0.00 H new ATOM 0 HA ILE A 19 1.547 7.142 8.698 1.00 0.00 H new ATOM 0 HB ILE A 19 2.892 7.098 5.984 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.166 8.919 6.183 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.860 7.725 4.937 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.279 5.250 5.566 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.346 4.895 6.945 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.671 5.423 7.229 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.197 8.303 6.121 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.774 6.597 6.401 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.464 7.810 7.666 1.00 0.00 H new ATOM 300 N LEU A 20 4.788 7.227 8.009 1.00 0.00 N ATOM 301 CA LEU A 20 6.103 6.689 8.338 1.00 0.00 C ATOM 302 C LEU A 20 6.407 6.848 9.824 1.00 0.00 C ATOM 303 O LEU A 20 7.097 6.017 10.407 1.00 0.00 O ATOM 304 CB LEU A 20 7.191 7.382 7.513 1.00 0.00 C ATOM 305 CG LEU A 20 7.113 7.154 6.002 1.00 0.00 C ATOM 306 CD1 LEU A 20 8.163 7.988 5.286 1.00 0.00 C ATOM 307 CD2 LEU A 20 7.294 5.681 5.676 1.00 0.00 C ATOM 0 H LEU A 20 4.815 8.056 7.416 1.00 0.00 H new ATOM 0 HA LEU A 20 6.094 5.626 8.097 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.141 8.454 7.705 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.164 7.040 7.865 1.00 0.00 H new ATOM 0 HG LEU A 20 6.127 7.465 5.656 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.095 7.815 4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.993 9.044 5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.155 7.704 5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.236 5.537 4.597 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.267 5.346 6.035 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.509 5.102 6.162 1.00 0.00 H new ATOM 319 N VAL A 21 5.896 7.916 10.433 1.00 0.00 N ATOM 320 CA VAL A 21 6.086 8.147 11.864 1.00 0.00 C ATOM 321 C VAL A 21 5.536 6.976 12.670 1.00 0.00 C ATOM 322 O VAL A 21 6.185 6.492 13.596 1.00 0.00 O ATOM 323 CB VAL A 21 5.421 9.461 12.337 1.00 0.00 C ATOM 324 CG1 VAL A 21 5.499 9.600 13.851 1.00 0.00 C ATOM 325 CG2 VAL A 21 6.071 10.663 11.672 1.00 0.00 C ATOM 0 H VAL A 21 5.348 8.634 9.959 1.00 0.00 H new ATOM 0 HA VAL A 21 7.159 8.236 12.032 1.00 0.00 H new ATOM 0 HB VAL A 21 4.371 9.423 12.047 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.024 10.533 14.156 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.985 8.761 14.320 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.544 9.606 14.162 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.588 11.576 12.019 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.130 10.693 11.929 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.962 10.583 10.590 1.00 0.00 H new ATOM 335 N VAL A 22 4.345 6.515 12.303 1.00 0.00 N ATOM 336 CA VAL A 22 3.743 5.359 12.962 1.00 0.00 C ATOM 337 C VAL A 22 4.619 4.121 12.778 1.00 0.00 C ATOM 338 O VAL A 22 4.937 3.420 13.743 1.00 0.00 O ATOM 339 CB VAL A 22 2.326 5.069 12.428 1.00 0.00 C ATOM 340 CG1 VAL A 22 1.740 3.830 13.092 1.00 0.00 C ATOM 341 CG2 VAL A 22 1.422 6.270 12.648 1.00 0.00 C ATOM 0 H VAL A 22 3.779 6.920 11.557 1.00 0.00 H new ATOM 0 HA VAL A 22 3.666 5.598 14.023 1.00 0.00 H new ATOM 0 HB VAL A 22 2.396 4.878 11.357 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.740 3.645 12.699 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.376 2.970 12.883 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.684 3.987 14.169 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.425 6.050 12.266 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.362 6.490 13.714 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.830 7.133 12.122 1.00 0.00 H new ATOM 351 N LEU A 23 5.003 3.861 11.533 1.00 0.00 N ATOM 352 CA LEU A 23 5.912 2.761 11.214 1.00 0.00 C ATOM 353 C LEU A 23 7.193 2.833 12.046 1.00 0.00 C ATOM 354 O LEU A 23 7.611 1.842 12.649 1.00 0.00 O ATOM 355 CB LEU A 23 6.273 2.794 9.729 1.00 0.00 C ATOM 356 CG LEU A 23 5.097 2.643 8.769 1.00 0.00 C ATOM 357 CD1 LEU A 23 5.555 2.870 7.338 1.00 0.00 C ATOM 358 CD2 LEU A 23 4.465 1.268 8.914 1.00 0.00 C ATOM 0 H LEU A 23 4.698 4.400 10.722 1.00 0.00 H new ATOM 0 HA LEU A 23 5.399 1.829 11.451 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.777 3.737 9.515 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.989 1.997 9.528 1.00 0.00 H new ATOM 0 HG LEU A 23 4.346 3.393 9.017 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.707 2.759 6.663 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.966 3.875 7.243 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.321 2.139 7.081 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.628 1.178 8.222 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.206 0.501 8.689 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.107 1.138 9.935 1.00 0.00 H new ATOM 370 N GLU A 24 7.798 4.014 12.079 1.00 0.00 N ATOM 371 CA GLU A 24 9.060 4.229 12.783 1.00 0.00 C ATOM 372 C GLU A 24 8.905 4.100 14.294 1.00 0.00 C ATOM 373 O GLU A 24 9.801 3.596 14.972 1.00 0.00 O ATOM 374 CB GLU A 24 9.625 5.608 12.440 1.00 0.00 C ATOM 375 CG GLU A 24 10.885 5.552 11.596 1.00 0.00 C ATOM 376 CD GLU A 24 12.042 4.911 12.335 1.00 0.00 C ATOM 377 OE1 GLU A 24 12.169 3.671 12.303 1.00 0.00 O ATOM 378 OE2 GLU A 24 12.831 5.644 12.963 1.00 0.00 O ATOM 0 H GLU A 24 7.431 4.848 11.621 1.00 0.00 H new ATOM 0 HA GLU A 24 9.750 3.453 12.453 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.866 6.181 11.908 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.840 6.144 13.364 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.684 4.991 10.683 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.164 6.562 11.295 1.00 0.00 H new ATOM 385 N LYS A 25 7.773 4.547 14.820 1.00 0.00 N ATOM 386 CA LYS A 25 7.541 4.511 16.258 1.00 0.00 C ATOM 387 C LYS A 25 7.300 3.078 16.730 1.00 0.00 C ATOM 388 O LYS A 25 7.599 2.732 17.873 1.00 0.00 O ATOM 389 CB LYS A 25 6.370 5.423 16.633 1.00 0.00 C ATOM 390 CG LYS A 25 6.222 5.636 18.130 1.00 0.00 C ATOM 391 CD LYS A 25 5.391 6.868 18.443 1.00 0.00 C ATOM 392 CE LYS A 25 6.056 8.134 17.920 1.00 0.00 C ATOM 393 NZ LYS A 25 7.394 8.367 18.537 1.00 0.00 N ATOM 0 H LYS A 25 7.004 4.937 14.276 1.00 0.00 H new ATOM 0 HA LYS A 25 8.433 4.882 16.764 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.503 6.390 16.148 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.447 4.995 16.242 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.755 4.759 18.578 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.208 5.738 18.582 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.402 6.764 17.998 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.249 6.949 19.521 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.165 8.064 16.838 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.412 8.990 18.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.718 9.329 18.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.324 8.258 19.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.075 7.676 18.162 1.00 0.00 H new ATOM 407 N HIS A 26 6.767 2.244 15.844 1.00 0.00 N ATOM 408 CA HIS A 26 6.657 0.813 16.121 1.00 0.00 C ATOM 409 C HIS A 26 7.998 0.138 15.885 1.00 0.00 C ATOM 410 O HIS A 26 8.271 -0.933 16.430 1.00 0.00 O ATOM 411 CB HIS A 26 5.591 0.149 15.241 1.00 0.00 C ATOM 412 CG HIS A 26 4.189 0.335 15.731 1.00 0.00 C ATOM 413 ND1 HIS A 26 3.478 -0.657 16.374 1.00 0.00 N ATOM 414 CD2 HIS A 26 3.359 1.398 15.654 1.00 0.00 C ATOM 415 CE1 HIS A 26 2.275 -0.206 16.672 1.00 0.00 C ATOM 416 NE2 HIS A 26 2.175 1.037 16.247 1.00 0.00 N ATOM 0 H HIS A 26 6.406 2.529 14.934 1.00 0.00 H new ATOM 0 HA HIS A 26 6.359 0.697 17.163 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.667 0.551 14.231 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.803 -0.918 15.176 1.00 0.00 H new ATOM 0 HD1 HIS A 26 3.827 -1.592 16.586 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.585 2.355 15.208 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.501 -0.763 17.180 1.00 0.00 H new ATOM 425 N LYS A 27 8.829 0.794 15.074 1.00 0.00 N ATOM 426 CA LYS A 27 10.132 0.275 14.676 1.00 0.00 C ATOM 427 C LYS A 27 9.952 -1.033 13.913 1.00 0.00 C ATOM 428 O LYS A 27 10.623 -2.034 14.174 1.00 0.00 O ATOM 429 CB LYS A 27 11.044 0.091 15.897 1.00 0.00 C ATOM 430 CG LYS A 27 12.515 -0.096 15.546 1.00 0.00 C ATOM 431 CD LYS A 27 13.055 1.072 14.733 1.00 0.00 C ATOM 432 CE LYS A 27 12.929 2.386 15.488 1.00 0.00 C ATOM 433 NZ LYS A 27 13.485 3.525 14.715 1.00 0.00 N ATOM 0 H LYS A 27 8.612 1.707 14.674 1.00 0.00 H new ATOM 0 HA LYS A 27 10.616 0.996 14.017 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.943 0.960 16.548 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.703 -0.774 16.466 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.097 -0.201 16.462 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.639 -1.020 14.982 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.102 0.892 14.487 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.513 1.141 13.790 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.879 2.577 15.711 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.449 2.307 16.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.055 4.412 15.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.515 3.567 14.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.275 3.395 13.705 1.00 0.00 H new ATOM 447 N ALA A 28 9.032 -1.009 12.961 1.00 0.00 N ATOM 448 CA ALA A 28 8.724 -2.184 12.165 1.00 0.00 C ATOM 449 C ALA A 28 9.805 -2.428 11.120 1.00 0.00 C ATOM 450 O ALA A 28 10.195 -1.510 10.396 1.00 0.00 O ATOM 451 CB ALA A 28 7.365 -2.025 11.498 1.00 0.00 C ATOM 0 H ALA A 28 8.484 -0.183 12.721 1.00 0.00 H new ATOM 0 HA ALA A 28 8.691 -3.049 12.827 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.145 -2.912 10.904 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.597 -1.900 12.262 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.378 -1.149 10.850 1.00 0.00 H new ATOM 457 N PRO A 29 10.318 -3.669 11.041 1.00 0.00 N ATOM 458 CA PRO A 29 11.299 -4.061 10.024 1.00 0.00 C ATOM 459 C PRO A 29 10.699 -3.994 8.624 1.00 0.00 C ATOM 460 O PRO A 29 9.484 -3.855 8.481 1.00 0.00 O ATOM 461 CB PRO A 29 11.648 -5.512 10.385 1.00 0.00 C ATOM 462 CG PRO A 29 11.155 -5.708 11.778 1.00 0.00 C ATOM 463 CD PRO A 29 9.987 -4.782 11.943 1.00 0.00 C ATOM 0 HA PRO A 29 12.167 -3.402 10.013 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.172 -6.212 9.699 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.722 -5.684 10.322 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.857 -6.743 11.943 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.937 -5.481 12.503 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.049 -5.262 11.664 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.880 -4.447 12.975 1.00 0.00 H new ATOM 471 N THR A 30 11.538 -4.110 7.601 1.00 0.00 N ATOM 472 CA THR A 30 11.085 -4.034 6.215 1.00 0.00 C ATOM 473 C THR A 30 9.930 -5.005 5.960 1.00 0.00 C ATOM 474 O THR A 30 8.933 -4.651 5.326 1.00 0.00 O ATOM 475 CB THR A 30 12.246 -4.339 5.248 1.00 0.00 C ATOM 476 OG1 THR A 30 13.331 -3.436 5.502 1.00 0.00 O ATOM 477 CG2 THR A 30 11.804 -4.214 3.796 1.00 0.00 C ATOM 0 H THR A 30 12.542 -4.258 7.706 1.00 0.00 H new ATOM 0 HA THR A 30 10.731 -3.019 6.037 1.00 0.00 H new ATOM 0 HB THR A 30 12.570 -5.366 5.416 1.00 0.00 H new ATOM 0 HG1 THR A 30 14.070 -3.631 4.888 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.645 -4.435 3.139 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.996 -4.918 3.600 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.454 -3.199 3.608 1.00 0.00 H new ATOM 485 N ASP A 31 10.074 -6.216 6.485 1.00 0.00 N ATOM 486 CA ASP A 31 9.046 -7.248 6.383 1.00 0.00 C ATOM 487 C ASP A 31 7.700 -6.726 6.873 1.00 0.00 C ATOM 488 O ASP A 31 6.719 -6.678 6.130 1.00 0.00 O ATOM 489 CB ASP A 31 9.431 -8.460 7.239 1.00 0.00 C ATOM 490 CG ASP A 31 10.799 -9.018 6.911 1.00 0.00 C ATOM 491 OD1 ASP A 31 11.802 -8.293 7.082 1.00 0.00 O ATOM 492 OD2 ASP A 31 10.882 -10.192 6.504 1.00 0.00 O ATOM 0 H ASP A 31 10.907 -6.512 6.994 1.00 0.00 H new ATOM 0 HA ASP A 31 8.966 -7.534 5.334 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.406 -8.175 8.291 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.685 -9.243 7.103 1.00 0.00 H new ATOM 497 N LEU A 32 7.680 -6.318 8.133 1.00 0.00 N ATOM 498 CA LEU A 32 6.451 -5.921 8.800 1.00 0.00 C ATOM 499 C LEU A 32 5.944 -4.583 8.270 1.00 0.00 C ATOM 500 O LEU A 32 4.740 -4.343 8.216 1.00 0.00 O ATOM 501 CB LEU A 32 6.694 -5.837 10.306 1.00 0.00 C ATOM 502 CG LEU A 32 5.448 -5.616 11.161 1.00 0.00 C ATOM 503 CD1 LEU A 32 4.478 -6.778 11.003 1.00 0.00 C ATOM 504 CD2 LEU A 32 5.841 -5.439 12.617 1.00 0.00 C ATOM 0 H LEU A 32 8.512 -6.253 8.719 1.00 0.00 H new ATOM 0 HA LEU A 32 5.686 -6.670 8.596 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.177 -6.758 10.630 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.395 -5.025 10.499 1.00 0.00 H new ATOM 0 HG LEU A 32 4.947 -4.709 10.823 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.597 -6.603 11.620 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.179 -6.863 9.958 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.963 -7.702 11.318 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.946 -5.282 13.219 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.360 -6.332 12.965 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.499 -4.576 12.714 1.00 0.00 H new ATOM 516 N SER A 33 6.872 -3.723 7.874 1.00 0.00 N ATOM 517 CA SER A 33 6.528 -2.413 7.347 1.00 0.00 C ATOM 518 C SER A 33 5.704 -2.553 6.071 1.00 0.00 C ATOM 519 O SER A 33 4.662 -1.914 5.924 1.00 0.00 O ATOM 520 CB SER A 33 7.800 -1.604 7.076 1.00 0.00 C ATOM 521 OG SER A 33 7.498 -0.270 6.704 1.00 0.00 O ATOM 0 H SER A 33 7.874 -3.912 7.909 1.00 0.00 H new ATOM 0 HA SER A 33 5.928 -1.884 8.088 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.427 -1.601 7.967 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.375 -2.083 6.283 1.00 0.00 H new ATOM 0 HG SER A 33 8.331 0.220 6.539 1.00 0.00 H new ATOM 527 N LEU A 34 6.161 -3.407 5.161 1.00 0.00 N ATOM 528 CA LEU A 34 5.454 -3.635 3.909 1.00 0.00 C ATOM 529 C LEU A 34 4.098 -4.280 4.172 1.00 0.00 C ATOM 530 O LEU A 34 3.111 -3.970 3.504 1.00 0.00 O ATOM 531 CB LEU A 34 6.285 -4.513 2.969 1.00 0.00 C ATOM 532 CG LEU A 34 7.601 -3.893 2.493 1.00 0.00 C ATOM 533 CD1 LEU A 34 8.358 -4.869 1.606 1.00 0.00 C ATOM 534 CD2 LEU A 34 7.343 -2.590 1.750 1.00 0.00 C ATOM 0 H LEU A 34 7.017 -3.951 5.268 1.00 0.00 H new ATOM 0 HA LEU A 34 5.295 -2.670 3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.507 -5.452 3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.680 -4.757 2.096 1.00 0.00 H new ATOM 0 HG LEU A 34 8.213 -3.673 3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.291 -4.412 1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.577 -5.777 2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.749 -5.118 0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.291 -2.165 1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.711 -2.784 0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.842 -1.886 2.414 1.00 0.00 H new ATOM 546 N MET A 35 4.052 -5.167 5.161 1.00 0.00 N ATOM 547 CA MET A 35 2.807 -5.828 5.530 1.00 0.00 C ATOM 548 C MET A 35 1.805 -4.834 6.116 1.00 0.00 C ATOM 549 O MET A 35 0.614 -4.884 5.794 1.00 0.00 O ATOM 550 CB MET A 35 3.071 -6.969 6.520 1.00 0.00 C ATOM 551 CG MET A 35 1.799 -7.584 7.082 1.00 0.00 C ATOM 552 SD MET A 35 2.077 -9.181 7.866 1.00 0.00 S ATOM 553 CE MET A 35 2.543 -10.166 6.443 1.00 0.00 C ATOM 0 H MET A 35 4.860 -5.443 5.719 1.00 0.00 H new ATOM 0 HA MET A 35 2.373 -6.249 4.623 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.652 -7.745 6.022 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.679 -6.593 7.343 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.362 -6.900 7.809 1.00 0.00 H new ATOM 0 HG3 MET A 35 1.073 -7.702 6.278 1.00 0.00 H new ATOM 0 HE1 MET A 35 2.322 -11.215 6.639 1.00 0.00 H new ATOM 0 HE2 MET A 35 1.981 -9.834 5.570 1.00 0.00 H new ATOM 0 HE3 MET A 35 3.610 -10.049 6.253 1.00 0.00 H new ATOM 563 N ALA A 36 2.283 -3.931 6.969 1.00 0.00 N ATOM 564 CA ALA A 36 1.427 -2.907 7.556 1.00 0.00 C ATOM 565 C ALA A 36 0.816 -2.032 6.468 1.00 0.00 C ATOM 566 O ALA A 36 -0.386 -1.758 6.479 1.00 0.00 O ATOM 567 CB ALA A 36 2.215 -2.060 8.543 1.00 0.00 C ATOM 0 H ALA A 36 3.257 -3.889 7.268 1.00 0.00 H new ATOM 0 HA ALA A 36 0.617 -3.400 8.094 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.562 -1.300 8.973 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.604 -2.696 9.338 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.044 -1.576 8.027 1.00 0.00 H new ATOM 573 N LEU A 37 1.648 -1.614 5.521 1.00 0.00 N ATOM 574 CA LEU A 37 1.195 -0.802 4.396 1.00 0.00 C ATOM 575 C LEU A 37 0.174 -1.559 3.558 1.00 0.00 C ATOM 576 O LEU A 37 -0.911 -1.048 3.282 1.00 0.00 O ATOM 577 CB LEU A 37 2.383 -0.383 3.519 1.00 0.00 C ATOM 578 CG LEU A 37 3.062 0.939 3.899 1.00 0.00 C ATOM 579 CD1 LEU A 37 2.125 2.111 3.652 1.00 0.00 C ATOM 580 CD2 LEU A 37 3.510 0.923 5.351 1.00 0.00 C ATOM 0 H LEU A 37 2.646 -1.825 5.510 1.00 0.00 H new ATOM 0 HA LEU A 37 0.721 0.093 4.798 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.131 -1.176 3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.040 -0.310 2.487 1.00 0.00 H new ATOM 0 HG LEU A 37 3.944 1.056 3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.624 3.040 3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.854 2.144 2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.225 1.990 4.255 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.988 1.872 5.595 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.645 0.776 5.997 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.219 0.109 5.504 1.00 0.00 H new ATOM 592 N GLY A 38 0.525 -2.785 3.176 1.00 0.00 N ATOM 593 CA GLY A 38 -0.341 -3.593 2.337 1.00 0.00 C ATOM 594 C GLY A 38 -1.729 -3.772 2.918 1.00 0.00 C ATOM 595 O GLY A 38 -2.725 -3.588 2.218 1.00 0.00 O ATOM 0 H GLY A 38 1.402 -3.235 3.436 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.422 -3.129 1.354 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.115 -4.572 2.191 1.00 0.00 H new ATOM 599 N ASN A 39 -1.794 -4.112 4.202 1.00 0.00 N ATOM 600 CA ASN A 39 -3.072 -4.311 4.883 1.00 0.00 C ATOM 601 C ASN A 39 -3.918 -3.046 4.848 1.00 0.00 C ATOM 602 O ASN A 39 -5.127 -3.105 4.634 1.00 0.00 O ATOM 603 CB ASN A 39 -2.855 -4.735 6.335 1.00 0.00 C ATOM 604 CG ASN A 39 -2.657 -6.232 6.498 1.00 0.00 C ATOM 605 OD1 ASN A 39 -3.612 -6.974 6.727 1.00 0.00 O ATOM 606 ND2 ASN A 39 -1.419 -6.685 6.387 1.00 0.00 N ATOM 0 H ASN A 39 -0.976 -4.256 4.794 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.601 -5.103 4.353 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.984 -4.214 6.732 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.713 -4.422 6.930 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.229 -7.682 6.492 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.654 -6.038 6.197 1.00 0.00 H new ATOM 613 N CYS A 40 -3.277 -1.902 5.058 1.00 0.00 N ATOM 614 CA CYS A 40 -3.978 -0.624 5.048 1.00 0.00 C ATOM 615 C CYS A 40 -4.531 -0.317 3.658 1.00 0.00 C ATOM 616 O CYS A 40 -5.631 0.218 3.527 1.00 0.00 O ATOM 617 CB CYS A 40 -3.049 0.498 5.512 1.00 0.00 C ATOM 618 SG CYS A 40 -2.413 0.277 7.189 1.00 0.00 S ATOM 0 H CYS A 40 -2.275 -1.833 5.237 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.817 -0.691 5.741 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.208 0.569 4.822 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.585 1.445 5.459 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.685 -0.799 7.239 1.00 0.00 H new ATOM 624 N VAL A 41 -3.772 -0.680 2.625 1.00 0.00 N ATOM 625 CA VAL A 41 -4.200 -0.465 1.244 1.00 0.00 C ATOM 626 C VAL A 41 -5.509 -1.205 0.965 1.00 0.00 C ATOM 627 O VAL A 41 -6.461 -0.624 0.440 1.00 0.00 O ATOM 628 CB VAL A 41 -3.115 -0.916 0.233 1.00 0.00 C ATOM 629 CG1 VAL A 41 -3.585 -0.729 -1.203 1.00 0.00 C ATOM 630 CG2 VAL A 41 -1.818 -0.153 0.462 1.00 0.00 C ATOM 0 H VAL A 41 -2.858 -1.124 2.718 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.359 0.606 1.116 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.933 -1.978 0.396 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.802 -1.054 -1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.484 -1.322 -1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.807 0.324 -1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.069 -0.484 -0.258 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.997 0.915 0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.458 -0.342 1.473 1.00 0.00 H new ATOM 640 N THR A 42 -5.569 -2.474 1.351 1.00 0.00 N ATOM 641 CA THR A 42 -6.769 -3.271 1.141 1.00 0.00 C ATOM 642 C THR A 42 -7.890 -2.857 2.086 1.00 0.00 C ATOM 643 O THR A 42 -9.066 -2.881 1.718 1.00 0.00 O ATOM 644 CB THR A 42 -6.481 -4.768 1.320 1.00 0.00 C ATOM 645 OG1 THR A 42 -5.390 -4.946 2.232 1.00 0.00 O ATOM 646 CG2 THR A 42 -6.168 -5.419 -0.017 1.00 0.00 C ATOM 0 H THR A 42 -4.804 -2.970 1.809 1.00 0.00 H new ATOM 0 HA THR A 42 -7.090 -3.089 0.115 1.00 0.00 H new ATOM 0 HB THR A 42 -7.369 -5.249 1.730 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.508 -4.353 3.003 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.967 -6.480 0.133 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.020 -5.302 -0.687 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.292 -4.943 -0.458 1.00 0.00 H new ATOM 654 N HIS A 43 -7.522 -2.463 3.297 1.00 0.00 N ATOM 655 CA HIS A 43 -8.505 -2.065 4.292 1.00 0.00 C ATOM 656 C HIS A 43 -9.209 -0.783 3.859 1.00 0.00 C ATOM 657 O HIS A 43 -10.374 -0.566 4.182 1.00 0.00 O ATOM 658 CB HIS A 43 -7.840 -1.875 5.657 1.00 0.00 C ATOM 659 CG HIS A 43 -8.793 -1.992 6.804 1.00 0.00 C ATOM 660 ND1 HIS A 43 -9.199 -3.206 7.314 1.00 0.00 N ATOM 661 CD2 HIS A 43 -9.412 -1.048 7.549 1.00 0.00 C ATOM 662 CE1 HIS A 43 -10.024 -3.005 8.322 1.00 0.00 C ATOM 663 NE2 HIS A 43 -10.172 -1.705 8.487 1.00 0.00 N ATOM 0 H HIS A 43 -6.553 -2.411 3.612 1.00 0.00 H new ATOM 0 HA HIS A 43 -9.249 -2.857 4.379 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.050 -2.616 5.774 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -7.365 -0.895 5.688 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.325 0.022 7.429 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.498 -3.775 8.913 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -10.755 -1.260 9.195 1.00 0.00 H new ATOM 672 N LEU A 44 -8.495 0.064 3.126 1.00 0.00 N ATOM 673 CA LEU A 44 -9.095 1.261 2.555 1.00 0.00 C ATOM 674 C LEU A 44 -10.051 0.888 1.433 1.00 0.00 C ATOM 675 O LEU A 44 -11.122 1.480 1.297 1.00 0.00 O ATOM 676 CB LEU A 44 -8.019 2.213 2.030 1.00 0.00 C ATOM 677 CG LEU A 44 -7.171 2.893 3.104 1.00 0.00 C ATOM 678 CD1 LEU A 44 -6.072 3.719 2.463 1.00 0.00 C ATOM 679 CD2 LEU A 44 -8.041 3.770 3.993 1.00 0.00 C ATOM 0 H LEU A 44 -7.504 -0.056 2.915 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.651 1.770 3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.358 1.657 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.501 2.984 1.428 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.712 2.121 3.722 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.476 4.197 3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.433 3.071 1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.516 4.483 1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.421 4.247 4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.525 4.536 3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.801 3.157 4.477 1.00 0.00 H new ATOM 691 N LEU A 45 -9.660 -0.107 0.642 1.00 0.00 N ATOM 692 CA LEU A 45 -10.490 -0.593 -0.452 1.00 0.00 C ATOM 693 C LEU A 45 -11.827 -1.106 0.071 1.00 0.00 C ATOM 694 O LEU A 45 -12.883 -0.738 -0.435 1.00 0.00 O ATOM 695 CB LEU A 45 -9.777 -1.714 -1.215 1.00 0.00 C ATOM 696 CG LEU A 45 -8.490 -1.307 -1.934 1.00 0.00 C ATOM 697 CD1 LEU A 45 -7.818 -2.526 -2.547 1.00 0.00 C ATOM 698 CD2 LEU A 45 -8.781 -0.266 -3.002 1.00 0.00 C ATOM 0 H LEU A 45 -8.769 -0.593 0.740 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.670 0.242 -1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.543 -2.515 -0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.468 -2.126 -1.950 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.811 -0.868 -1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.903 -2.220 -3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.575 -3.241 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.494 -2.992 -3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.853 0.011 -3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.478 -0.678 -3.732 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.221 0.617 -2.539 1.00 0.00 H new ATOM 710 N GLU A 46 -11.773 -1.942 1.099 1.00 0.00 N ATOM 711 CA GLU A 46 -12.980 -2.540 1.663 1.00 0.00 C ATOM 712 C GLU A 46 -13.865 -1.507 2.362 1.00 0.00 C ATOM 713 O GLU A 46 -15.012 -1.804 2.711 1.00 0.00 O ATOM 714 CB GLU A 46 -12.616 -3.644 2.652 1.00 0.00 C ATOM 715 CG GLU A 46 -11.732 -4.734 2.069 1.00 0.00 C ATOM 716 CD GLU A 46 -11.557 -5.894 3.023 1.00 0.00 C ATOM 717 OE1 GLU A 46 -10.819 -5.746 4.025 1.00 0.00 O ATOM 718 OE2 GLU A 46 -12.174 -6.953 2.785 1.00 0.00 O ATOM 0 H GLU A 46 -10.908 -2.223 1.561 1.00 0.00 H new ATOM 0 HA GLU A 46 -13.544 -2.959 0.830 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.108 -3.198 3.507 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.533 -4.097 3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.168 -5.094 1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.756 -4.316 1.824 1.00 0.00 H new ATOM 725 N ARG A 47 -13.344 -0.310 2.588 1.00 0.00 N ATOM 726 CA ARG A 47 -14.098 0.724 3.284 1.00 0.00 C ATOM 727 C ARG A 47 -14.569 1.826 2.344 1.00 0.00 C ATOM 728 O ARG A 47 -15.762 1.990 2.117 1.00 0.00 O ATOM 729 CB ARG A 47 -13.280 1.320 4.426 1.00 0.00 C ATOM 730 CG ARG A 47 -12.989 0.341 5.552 1.00 0.00 C ATOM 731 CD ARG A 47 -14.264 -0.294 6.085 1.00 0.00 C ATOM 732 NE ARG A 47 -14.020 -1.080 7.290 1.00 0.00 N ATOM 733 CZ ARG A 47 -14.459 -2.324 7.473 1.00 0.00 C ATOM 734 NH1 ARG A 47 -15.167 -2.932 6.526 1.00 0.00 N ATOM 735 NH2 ARG A 47 -14.189 -2.956 8.607 1.00 0.00 N ATOM 0 H ARG A 47 -12.406 -0.031 2.301 1.00 0.00 H new ATOM 0 HA ARG A 47 -14.985 0.243 3.697 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.336 1.692 4.028 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.814 2.178 4.833 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.316 -0.438 5.193 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.474 0.859 6.361 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -14.994 0.486 6.302 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.699 -0.933 5.317 1.00 0.00 H new ATOM 0 HE ARG A 47 -13.479 -0.649 8.040 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -15.376 -2.446 5.654 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -15.501 -3.885 6.671 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -13.647 -2.489 9.334 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -14.523 -3.909 8.752 1.00 0.00 H new ATOM 749 N LYS A 48 -13.619 2.571 1.784 1.00 0.00 N ATOM 750 CA LYS A 48 -13.942 3.778 1.028 1.00 0.00 C ATOM 751 C LYS A 48 -14.234 3.471 -0.437 1.00 0.00 C ATOM 752 O LYS A 48 -14.689 4.340 -1.185 1.00 0.00 O ATOM 753 CB LYS A 48 -12.791 4.786 1.120 1.00 0.00 C ATOM 754 CG LYS A 48 -12.430 5.193 2.539 1.00 0.00 C ATOM 755 CD LYS A 48 -11.391 6.307 2.551 1.00 0.00 C ATOM 756 CE LYS A 48 -10.999 6.692 3.971 1.00 0.00 C ATOM 757 NZ LYS A 48 -10.102 7.880 4.010 1.00 0.00 N ATOM 0 H LYS A 48 -12.622 2.361 1.839 1.00 0.00 H new ATOM 0 HA LYS A 48 -14.842 4.205 1.470 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.910 4.359 0.641 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.059 5.679 0.555 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.326 5.524 3.063 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.045 4.329 3.080 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.505 5.985 2.003 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.787 7.180 2.033 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.899 6.901 4.550 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.501 5.848 4.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.623 7.923 4.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.392 7.804 3.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.664 8.744 3.871 1.00 0.00 H new ATOM 771 N VAL A 49 -13.971 2.242 -0.847 1.00 0.00 N ATOM 772 CA VAL A 49 -14.117 1.859 -2.243 1.00 0.00 C ATOM 773 C VAL A 49 -15.266 0.864 -2.421 1.00 0.00 C ATOM 774 O VAL A 49 -15.395 -0.090 -1.648 1.00 0.00 O ATOM 775 CB VAL A 49 -12.801 1.247 -2.786 1.00 0.00 C ATOM 776 CG1 VAL A 49 -12.918 0.903 -4.261 1.00 0.00 C ATOM 777 CG2 VAL A 49 -11.631 2.196 -2.553 1.00 0.00 C ATOM 0 H VAL A 49 -13.655 1.491 -0.233 1.00 0.00 H new ATOM 0 HA VAL A 49 -14.346 2.761 -2.811 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.615 0.322 -2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -11.978 0.476 -4.611 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.721 0.179 -4.403 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -13.139 1.807 -4.829 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.716 1.748 -2.941 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.820 3.139 -3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.519 2.381 -1.485 1.00 0.00 H new ATOM 787 N PRO A 50 -16.138 1.097 -3.424 1.00 0.00 N ATOM 788 CA PRO A 50 -17.228 0.173 -3.771 1.00 0.00 C ATOM 789 C PRO A 50 -16.719 -1.239 -4.061 1.00 0.00 C ATOM 790 O PRO A 50 -15.598 -1.411 -4.545 1.00 0.00 O ATOM 791 CB PRO A 50 -17.835 0.791 -5.033 1.00 0.00 C ATOM 792 CG PRO A 50 -17.486 2.236 -4.952 1.00 0.00 C ATOM 793 CD PRO A 50 -16.143 2.295 -4.282 1.00 0.00 C ATOM 0 HA PRO A 50 -17.940 0.059 -2.953 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -17.425 0.335 -5.934 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -18.915 0.646 -5.065 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -17.448 2.685 -5.944 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -18.233 2.787 -4.381 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -15.330 2.273 -5.008 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -16.025 3.208 -3.698 1.00 0.00 H new ATOM 801 N SER A 51 -17.557 -2.234 -3.782 1.00 0.00 N ATOM 802 CA SER A 51 -17.174 -3.642 -3.863 1.00 0.00 C ATOM 803 C SER A 51 -16.524 -3.999 -5.203 1.00 0.00 C ATOM 804 O SER A 51 -15.393 -4.482 -5.235 1.00 0.00 O ATOM 805 CB SER A 51 -18.400 -4.521 -3.622 1.00 0.00 C ATOM 806 OG SER A 51 -19.065 -4.137 -2.429 1.00 0.00 O ATOM 0 H SER A 51 -18.524 -2.087 -3.492 1.00 0.00 H new ATOM 0 HA SER A 51 -16.427 -3.823 -3.090 1.00 0.00 H new ATOM 0 HB2 SER A 51 -19.083 -4.440 -4.467 1.00 0.00 H new ATOM 0 HB3 SER A 51 -18.097 -5.566 -3.555 1.00 0.00 H new ATOM 0 HG SER A 51 -19.848 -4.710 -2.292 1.00 0.00 H new ATOM 812 N GLU A 52 -17.231 -3.750 -6.303 1.00 0.00 N ATOM 813 CA GLU A 52 -16.725 -4.097 -7.631 1.00 0.00 C ATOM 814 C GLU A 52 -15.438 -3.335 -7.942 1.00 0.00 C ATOM 815 O GLU A 52 -14.534 -3.855 -8.597 1.00 0.00 O ATOM 816 CB GLU A 52 -17.763 -3.793 -8.716 1.00 0.00 C ATOM 817 CG GLU A 52 -19.151 -4.344 -8.430 1.00 0.00 C ATOM 818 CD GLU A 52 -20.032 -3.357 -7.695 1.00 0.00 C ATOM 819 OE1 GLU A 52 -19.854 -3.180 -6.471 1.00 0.00 O ATOM 820 OE2 GLU A 52 -20.910 -2.743 -8.342 1.00 0.00 O ATOM 0 H GLU A 52 -18.152 -3.311 -6.303 1.00 0.00 H new ATOM 0 HA GLU A 52 -16.518 -5.167 -7.626 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -17.833 -2.713 -8.842 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -17.411 -4.202 -9.663 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -19.628 -4.621 -9.370 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -19.061 -5.255 -7.838 1.00 0.00 H new ATOM 827 N SER A 53 -15.359 -2.111 -7.453 1.00 0.00 N ATOM 828 CA SER A 53 -14.209 -1.261 -7.704 1.00 0.00 C ATOM 829 C SER A 53 -12.983 -1.750 -6.939 1.00 0.00 C ATOM 830 O SER A 53 -11.858 -1.538 -7.377 1.00 0.00 O ATOM 831 CB SER A 53 -14.536 0.184 -7.333 1.00 0.00 C ATOM 832 OG SER A 53 -15.654 0.656 -8.064 1.00 0.00 O ATOM 0 H SER A 53 -16.082 -1.681 -6.876 1.00 0.00 H new ATOM 0 HA SER A 53 -13.974 -1.308 -8.767 1.00 0.00 H new ATOM 0 HB2 SER A 53 -14.741 0.251 -6.265 1.00 0.00 H new ATOM 0 HB3 SER A 53 -13.673 0.819 -7.532 1.00 0.00 H new ATOM 0 HG SER A 53 -15.845 1.582 -7.808 1.00 0.00 H new ATOM 838 N ARG A 54 -13.204 -2.423 -5.811 1.00 0.00 N ATOM 839 CA ARG A 54 -12.109 -2.954 -4.998 1.00 0.00 C ATOM 840 C ARG A 54 -11.228 -3.884 -5.823 1.00 0.00 C ATOM 841 O ARG A 54 -10.017 -3.948 -5.627 1.00 0.00 O ATOM 842 CB ARG A 54 -12.663 -3.700 -3.780 1.00 0.00 C ATOM 843 CG ARG A 54 -13.482 -2.817 -2.856 1.00 0.00 C ATOM 844 CD ARG A 54 -14.221 -3.617 -1.793 1.00 0.00 C ATOM 845 NE ARG A 54 -15.142 -2.769 -1.034 1.00 0.00 N ATOM 846 CZ ARG A 54 -16.130 -3.224 -0.260 1.00 0.00 C ATOM 847 NH1 ARG A 54 -16.313 -4.532 -0.102 1.00 0.00 N ATOM 848 NH2 ARG A 54 -16.933 -2.362 0.357 1.00 0.00 N ATOM 0 H ARG A 54 -14.134 -2.614 -5.438 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.503 -2.116 -4.654 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.282 -4.530 -4.122 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.834 -4.131 -3.219 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.825 -2.095 -2.372 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.202 -2.249 -3.445 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.775 -4.428 -2.265 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.502 -4.075 -1.114 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.020 -1.759 -1.101 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.697 -5.194 -0.574 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.070 -4.873 0.491 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.792 -1.359 0.238 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.689 -2.704 0.950 1.00 0.00 H new ATOM 862 N GLN A 55 -11.849 -4.587 -6.760 1.00 0.00 N ATOM 863 CA GLN A 55 -11.136 -5.496 -7.643 1.00 0.00 C ATOM 864 C GLN A 55 -10.278 -4.725 -8.645 1.00 0.00 C ATOM 865 O GLN A 55 -9.074 -4.962 -8.762 1.00 0.00 O ATOM 866 CB GLN A 55 -12.133 -6.382 -8.391 1.00 0.00 C ATOM 867 CG GLN A 55 -12.942 -7.292 -7.483 1.00 0.00 C ATOM 868 CD GLN A 55 -14.082 -7.981 -8.211 1.00 0.00 C ATOM 869 OE1 GLN A 55 -15.203 -7.475 -8.250 1.00 0.00 O ATOM 870 NE2 GLN A 55 -13.801 -9.132 -8.801 1.00 0.00 N ATOM 0 H GLN A 55 -12.854 -4.543 -6.928 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.479 -6.118 -7.035 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.816 -5.748 -8.957 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.592 -6.993 -9.114 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.284 -8.046 -7.051 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.345 -6.708 -6.655 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.858 -9.517 -8.745 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -14.527 -9.634 -9.312 1.00 0.00 H new ATOM 879 N ALA A 56 -10.902 -3.791 -9.353 1.00 0.00 N ATOM 880 CA ALA A 56 -10.226 -3.064 -10.421 1.00 0.00 C ATOM 881 C ALA A 56 -9.229 -2.045 -9.876 1.00 0.00 C ATOM 882 O ALA A 56 -8.159 -1.857 -10.450 1.00 0.00 O ATOM 883 CB ALA A 56 -11.238 -2.381 -11.327 1.00 0.00 C ATOM 0 H ALA A 56 -11.874 -3.519 -9.207 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.664 -3.794 -11.004 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.714 -1.844 -12.118 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.894 -3.131 -11.770 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.833 -1.678 -10.743 1.00 0.00 H new ATOM 889 N VAL A 57 -9.576 -1.388 -8.776 1.00 0.00 N ATOM 890 CA VAL A 57 -8.691 -0.390 -8.181 1.00 0.00 C ATOM 891 C VAL A 57 -7.403 -1.045 -7.694 1.00 0.00 C ATOM 892 O VAL A 57 -6.316 -0.508 -7.895 1.00 0.00 O ATOM 893 CB VAL A 57 -9.367 0.375 -7.018 1.00 0.00 C ATOM 894 CG1 VAL A 57 -8.369 1.287 -6.316 1.00 0.00 C ATOM 895 CG2 VAL A 57 -10.545 1.191 -7.529 1.00 0.00 C ATOM 0 H VAL A 57 -10.457 -1.525 -8.280 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.458 0.336 -8.960 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.731 -0.359 -6.300 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.867 1.814 -5.502 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.551 0.690 -5.914 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.974 2.011 -7.029 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.008 1.722 -6.697 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.195 1.911 -8.269 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.277 0.526 -7.987 1.00 0.00 H new ATOM 905 N ALA A 58 -7.529 -2.220 -7.080 1.00 0.00 N ATOM 906 CA ALA A 58 -6.362 -2.978 -6.645 1.00 0.00 C ATOM 907 C ALA A 58 -5.502 -3.358 -7.845 1.00 0.00 C ATOM 908 O ALA A 58 -4.272 -3.341 -7.773 1.00 0.00 O ATOM 909 CB ALA A 58 -6.787 -4.223 -5.881 1.00 0.00 C ATOM 0 H ALA A 58 -8.424 -2.664 -6.874 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.772 -2.351 -5.977 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.902 -4.776 -5.565 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.366 -3.932 -5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.398 -4.855 -6.526 1.00 0.00 H new ATOM 915 N GLU A 59 -6.165 -3.684 -8.949 1.00 0.00 N ATOM 916 CA GLU A 59 -5.481 -4.003 -10.193 1.00 0.00 C ATOM 917 C GLU A 59 -4.671 -2.804 -10.685 1.00 0.00 C ATOM 918 O GLU A 59 -3.473 -2.917 -10.953 1.00 0.00 O ATOM 919 CB GLU A 59 -6.496 -4.414 -11.264 1.00 0.00 C ATOM 920 CG GLU A 59 -5.861 -4.748 -12.603 1.00 0.00 C ATOM 921 CD GLU A 59 -6.877 -4.950 -13.706 1.00 0.00 C ATOM 922 OE1 GLU A 59 -7.645 -5.926 -13.639 1.00 0.00 O ATOM 923 OE2 GLU A 59 -6.899 -4.129 -14.652 1.00 0.00 O ATOM 0 H GLU A 59 -7.182 -3.734 -9.006 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.800 -4.833 -10.005 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.056 -5.280 -10.910 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.214 -3.605 -11.403 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.180 -3.945 -12.886 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.261 -5.652 -12.499 1.00 0.00 H new ATOM 930 N GLN A 60 -5.326 -1.652 -10.784 1.00 0.00 N ATOM 931 CA GLN A 60 -4.680 -0.452 -11.310 1.00 0.00 C ATOM 932 C GLN A 60 -3.616 0.045 -10.344 1.00 0.00 C ATOM 933 O GLN A 60 -2.621 0.638 -10.757 1.00 0.00 O ATOM 934 CB GLN A 60 -5.700 0.661 -11.577 1.00 0.00 C ATOM 935 CG GLN A 60 -6.952 0.192 -12.303 1.00 0.00 C ATOM 936 CD GLN A 60 -6.659 -0.716 -13.484 1.00 0.00 C ATOM 937 OE1 GLN A 60 -5.638 -0.582 -14.160 1.00 0.00 O ATOM 938 NE2 GLN A 60 -7.553 -1.661 -13.727 1.00 0.00 N ATOM 0 H GLN A 60 -6.300 -1.523 -10.509 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.210 -0.719 -12.257 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.990 1.110 -10.627 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.222 1.444 -12.166 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.595 -0.336 -11.599 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.508 1.062 -12.652 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.386 -1.738 -13.143 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -7.409 -2.313 -14.498 1.00 0.00 H new ATOM 947 N PHE A 61 -3.833 -0.207 -9.058 1.00 0.00 N ATOM 948 CA PHE A 61 -2.874 0.158 -8.027 1.00 0.00 C ATOM 949 C PHE A 61 -1.580 -0.623 -8.213 1.00 0.00 C ATOM 950 O PHE A 61 -0.493 -0.052 -8.169 1.00 0.00 O ATOM 951 CB PHE A 61 -3.458 -0.112 -6.635 1.00 0.00 C ATOM 952 CG PHE A 61 -2.573 0.338 -5.507 1.00 0.00 C ATOM 953 CD1 PHE A 61 -2.592 1.657 -5.084 1.00 0.00 C ATOM 954 CD2 PHE A 61 -1.727 -0.555 -4.870 1.00 0.00 C ATOM 955 CE1 PHE A 61 -1.782 2.077 -4.049 1.00 0.00 C ATOM 956 CE2 PHE A 61 -0.914 -0.140 -3.834 1.00 0.00 C ATOM 957 CZ PHE A 61 -0.943 1.176 -3.422 1.00 0.00 C ATOM 0 H PHE A 61 -4.672 -0.666 -8.705 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.658 1.223 -8.114 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.421 0.392 -6.552 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.647 -1.181 -6.532 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.248 2.364 -5.570 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.703 -1.587 -5.187 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.804 3.108 -3.729 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.256 -0.845 -3.347 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.310 1.502 -2.610 1.00 0.00 H new ATOM 967 N ALA A 62 -1.709 -1.927 -8.432 1.00 0.00 N ATOM 968 CA ALA A 62 -0.555 -2.785 -8.661 1.00 0.00 C ATOM 969 C ALA A 62 0.193 -2.351 -9.918 1.00 0.00 C ATOM 970 O ALA A 62 1.425 -2.304 -9.941 1.00 0.00 O ATOM 971 CB ALA A 62 -0.996 -4.236 -8.778 1.00 0.00 C ATOM 0 H ALA A 62 -2.605 -2.413 -8.456 1.00 0.00 H new ATOM 0 HA ALA A 62 0.122 -2.693 -7.811 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.125 -4.868 -8.949 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.491 -4.541 -7.856 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.689 -4.339 -9.613 1.00 0.00 H new ATOM 977 N LYS A 63 -0.567 -2.020 -10.955 1.00 0.00 N ATOM 978 CA LYS A 63 0.004 -1.543 -12.208 1.00 0.00 C ATOM 979 C LYS A 63 0.733 -0.218 -12.005 1.00 0.00 C ATOM 980 O LYS A 63 1.826 -0.016 -12.530 1.00 0.00 O ATOM 981 CB LYS A 63 -1.092 -1.390 -13.267 1.00 0.00 C ATOM 982 CG LYS A 63 -1.699 -2.715 -13.703 1.00 0.00 C ATOM 983 CD LYS A 63 -2.893 -2.516 -14.624 1.00 0.00 C ATOM 984 CE LYS A 63 -3.412 -3.844 -15.153 1.00 0.00 C ATOM 985 NZ LYS A 63 -4.641 -3.677 -15.973 1.00 0.00 N ATOM 0 H LYS A 63 -1.586 -2.074 -10.952 1.00 0.00 H new ATOM 0 HA LYS A 63 0.728 -2.280 -12.555 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.881 -0.749 -12.873 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.677 -0.885 -14.139 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.942 -3.311 -14.213 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.009 -3.279 -12.823 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.688 -2.001 -14.085 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.608 -1.876 -15.459 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.638 -4.322 -15.754 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.623 -4.510 -14.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.477 -3.893 -15.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.700 -2.696 -16.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.607 -4.325 -16.786 1.00 0.00 H new ATOM 999 N ALA A 64 0.126 0.673 -11.226 1.00 0.00 N ATOM 1000 CA ALA A 64 0.716 1.974 -10.930 1.00 0.00 C ATOM 1001 C ALA A 64 1.967 1.824 -10.074 1.00 0.00 C ATOM 1002 O ALA A 64 2.957 2.525 -10.275 1.00 0.00 O ATOM 1003 CB ALA A 64 -0.297 2.868 -10.229 1.00 0.00 C ATOM 0 H ALA A 64 -0.781 0.515 -10.786 1.00 0.00 H new ATOM 0 HA ALA A 64 1.002 2.438 -11.874 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.158 3.835 -10.015 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.164 3.010 -10.874 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.611 2.400 -9.296 1.00 0.00 H new ATOM 1009 N LEU A 65 1.910 0.899 -9.124 1.00 0.00 N ATOM 1010 CA LEU A 65 3.032 0.629 -8.238 1.00 0.00 C ATOM 1011 C LEU A 65 4.253 0.209 -9.056 1.00 0.00 C ATOM 1012 O LEU A 65 5.340 0.774 -8.915 1.00 0.00 O ATOM 1013 CB LEU A 65 2.648 -0.477 -7.249 1.00 0.00 C ATOM 1014 CG LEU A 65 3.411 -0.483 -5.925 1.00 0.00 C ATOM 1015 CD1 LEU A 65 3.032 0.733 -5.093 1.00 0.00 C ATOM 1016 CD2 LEU A 65 3.122 -1.762 -5.155 1.00 0.00 C ATOM 0 H LEU A 65 1.090 0.319 -8.948 1.00 0.00 H new ATOM 0 HA LEU A 65 3.281 1.533 -7.682 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.583 -0.390 -7.032 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.796 -1.441 -7.736 1.00 0.00 H new ATOM 0 HG LEU A 65 4.479 -0.440 -6.138 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.583 0.716 -4.152 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.280 1.641 -5.642 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.962 0.714 -4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.672 -1.752 -4.214 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.054 -1.830 -4.950 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.433 -2.622 -5.748 1.00 0.00 H new ATOM 1028 N ALA A 66 4.049 -0.766 -9.940 1.00 0.00 N ATOM 1029 CA ALA A 66 5.114 -1.252 -10.809 1.00 0.00 C ATOM 1030 C ALA A 66 5.555 -0.167 -11.788 1.00 0.00 C ATOM 1031 O ALA A 66 6.733 -0.072 -12.140 1.00 0.00 O ATOM 1032 CB ALA A 66 4.659 -2.494 -11.560 1.00 0.00 C ATOM 0 H ALA A 66 3.153 -1.235 -10.072 1.00 0.00 H new ATOM 0 HA ALA A 66 5.969 -1.515 -10.187 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.465 -2.845 -12.205 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.399 -3.276 -10.846 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.787 -2.253 -12.168 1.00 0.00 H new ATOM 1038 N GLN A 67 4.607 0.655 -12.215 1.00 0.00 N ATOM 1039 CA GLN A 67 4.894 1.754 -13.128 1.00 0.00 C ATOM 1040 C GLN A 67 5.791 2.790 -12.456 1.00 0.00 C ATOM 1041 O GLN A 67 6.693 3.347 -13.085 1.00 0.00 O ATOM 1042 CB GLN A 67 3.594 2.404 -13.606 1.00 0.00 C ATOM 1043 CG GLN A 67 3.806 3.650 -14.450 1.00 0.00 C ATOM 1044 CD GLN A 67 2.519 4.203 -15.026 1.00 0.00 C ATOM 1045 OE1 GLN A 67 1.441 4.045 -14.450 1.00 0.00 O ATOM 1046 NE2 GLN A 67 2.626 4.865 -16.166 1.00 0.00 N ATOM 0 H GLN A 67 3.627 0.581 -11.942 1.00 0.00 H new ATOM 0 HA GLN A 67 5.421 1.353 -13.994 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.026 1.676 -14.186 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.988 2.663 -12.738 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.284 4.417 -13.841 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.491 3.417 -15.265 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.538 4.973 -16.610 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.796 5.268 -16.602 1.00 0.00 H new ATOM 1055 N SER A 68 5.547 3.034 -11.175 1.00 0.00 N ATOM 1056 CA SER A 68 6.357 3.969 -10.410 1.00 0.00 C ATOM 1057 C SER A 68 7.796 3.464 -10.313 1.00 0.00 C ATOM 1058 O SER A 68 8.742 4.247 -10.387 1.00 0.00 O ATOM 1059 CB SER A 68 5.763 4.174 -9.013 1.00 0.00 C ATOM 1060 OG SER A 68 6.447 5.196 -8.308 1.00 0.00 O ATOM 0 H SER A 68 4.794 2.596 -10.645 1.00 0.00 H new ATOM 0 HA SER A 68 6.360 4.930 -10.925 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.707 4.432 -9.098 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.819 3.242 -8.451 1.00 0.00 H new ATOM 0 HG SER A 68 5.828 5.637 -7.689 1.00 0.00 H new ATOM 1066 N VAL A 69 7.954 2.149 -10.169 1.00 0.00 N ATOM 1067 CA VAL A 69 9.279 1.533 -10.141 1.00 0.00 C ATOM 1068 C VAL A 69 9.991 1.741 -11.479 1.00 0.00 C ATOM 1069 O VAL A 69 11.192 2.007 -11.531 1.00 0.00 O ATOM 1070 CB VAL A 69 9.194 0.020 -9.833 1.00 0.00 C ATOM 1071 CG1 VAL A 69 10.580 -0.607 -9.792 1.00 0.00 C ATOM 1072 CG2 VAL A 69 8.463 -0.222 -8.520 1.00 0.00 C ATOM 0 H VAL A 69 7.181 1.490 -10.070 1.00 0.00 H new ATOM 0 HA VAL A 69 9.847 2.015 -9.346 1.00 0.00 H new ATOM 0 HB VAL A 69 8.629 -0.454 -10.636 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.492 -1.671 -9.574 1.00 0.00 H new ATOM 0 HG12 VAL A 69 11.068 -0.474 -10.757 1.00 0.00 H new ATOM 0 HG13 VAL A 69 11.174 -0.125 -9.016 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.414 -1.293 -8.323 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.998 0.273 -7.709 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.452 0.181 -8.587 1.00 0.00 H new ATOM 1082 N LYS A 70 9.231 1.643 -12.563 1.00 0.00 N ATOM 1083 CA LYS A 70 9.780 1.846 -13.900 1.00 0.00 C ATOM 1084 C LYS A 70 9.980 3.331 -14.194 1.00 0.00 C ATOM 1085 O LYS A 70 10.482 3.702 -15.254 1.00 0.00 O ATOM 1086 CB LYS A 70 8.864 1.223 -14.954 1.00 0.00 C ATOM 1087 CG LYS A 70 8.766 -0.289 -14.853 1.00 0.00 C ATOM 1088 CD LYS A 70 7.908 -0.866 -15.968 1.00 0.00 C ATOM 1089 CE LYS A 70 7.874 -2.384 -15.910 1.00 0.00 C ATOM 1090 NZ LYS A 70 7.083 -2.966 -17.025 1.00 0.00 N ATOM 0 H LYS A 70 8.235 1.425 -12.544 1.00 0.00 H new ATOM 0 HA LYS A 70 10.752 1.355 -13.939 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.866 1.651 -14.856 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.230 1.490 -15.945 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.765 -0.724 -14.899 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.343 -0.564 -13.887 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.894 -0.474 -15.889 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.299 -0.546 -16.934 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.892 -2.771 -15.947 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.447 -2.701 -14.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.085 -4.003 -16.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.104 -2.617 -16.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.505 -2.685 -17.933 1.00 0.00 H new ATOM 1392 N SER B 8 3.487 -11.132 14.474 1.00 0.00 N ATOM 1393 CA SER B 8 2.700 -10.899 15.676 1.00 0.00 C ATOM 1394 C SER B 8 1.371 -10.240 15.318 1.00 0.00 C ATOM 1395 O SER B 8 1.344 -9.155 14.737 1.00 0.00 O ATOM 1396 CB SER B 8 3.483 -10.027 16.660 1.00 0.00 C ATOM 1397 OG SER B 8 4.732 -10.618 16.982 1.00 0.00 O ATOM 0 HA SER B 8 2.493 -11.858 16.152 1.00 0.00 H new ATOM 0 HB2 SER B 8 3.645 -9.040 16.227 1.00 0.00 H new ATOM 0 HB3 SER B 8 2.899 -9.885 17.569 1.00 0.00 H new ATOM 0 HG SER B 8 5.092 -11.072 16.192 1.00 0.00 H new ATOM 1403 N ASN B 9 0.276 -10.907 15.670 1.00 0.00 N ATOM 1404 CA ASN B 9 -1.068 -10.440 15.331 1.00 0.00 C ATOM 1405 C ASN B 9 -1.334 -9.055 15.913 1.00 0.00 C ATOM 1406 O ASN B 9 -1.762 -8.142 15.202 1.00 0.00 O ATOM 1407 CB ASN B 9 -2.113 -11.441 15.841 1.00 0.00 C ATOM 1408 CG ASN B 9 -3.551 -11.006 15.596 1.00 0.00 C ATOM 1409 OD1 ASN B 9 -4.442 -11.315 16.387 1.00 0.00 O ATOM 1410 ND2 ASN B 9 -3.798 -10.313 14.494 1.00 0.00 N ATOM 0 H ASN B 9 0.292 -11.781 16.195 1.00 0.00 H new ATOM 0 HA ASN B 9 -1.141 -10.367 14.246 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -1.947 -12.404 15.357 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -1.966 -11.592 16.910 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -4.751 -10.019 14.280 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -3.035 -10.074 13.860 1.00 0.00 H new ATOM 1417 N THR B 10 -1.052 -8.898 17.199 1.00 0.00 N ATOM 1418 CA THR B 10 -1.294 -7.642 17.889 1.00 0.00 C ATOM 1419 C THR B 10 -0.457 -6.518 17.283 1.00 0.00 C ATOM 1420 O THR B 10 -0.930 -5.396 17.125 1.00 0.00 O ATOM 1421 CB THR B 10 -0.972 -7.768 19.391 1.00 0.00 C ATOM 1422 OG1 THR B 10 -1.462 -9.022 19.884 1.00 0.00 O ATOM 1423 CG2 THR B 10 -1.607 -6.628 20.178 1.00 0.00 C ATOM 0 H THR B 10 -0.653 -9.630 17.787 1.00 0.00 H new ATOM 0 HA THR B 10 -2.351 -7.402 17.771 1.00 0.00 H new ATOM 0 HB THR B 10 0.109 -7.718 19.519 1.00 0.00 H new ATOM 0 HG1 THR B 10 -1.255 -9.102 20.839 1.00 0.00 H new ATOM 0 HG21 THR B 10 -1.366 -6.738 21.235 1.00 0.00 H new ATOM 0 HG22 THR B 10 -1.221 -5.676 19.815 1.00 0.00 H new ATOM 0 HG23 THR B 10 -2.689 -6.654 20.047 1.00 0.00 H new ATOM 1431 N GLN B 11 0.779 -6.840 16.921 1.00 0.00 N ATOM 1432 CA GLN B 11 1.699 -5.858 16.357 1.00 0.00 C ATOM 1433 C GLN B 11 1.164 -5.307 15.038 1.00 0.00 C ATOM 1434 O GLN B 11 1.080 -4.090 14.850 1.00 0.00 O ATOM 1435 CB GLN B 11 3.073 -6.495 16.136 1.00 0.00 C ATOM 1436 CG GLN B 11 4.122 -5.535 15.604 1.00 0.00 C ATOM 1437 CD GLN B 11 4.493 -4.448 16.594 1.00 0.00 C ATOM 1438 OE1 GLN B 11 3.899 -3.368 16.610 1.00 0.00 O ATOM 1439 NE2 GLN B 11 5.479 -4.729 17.428 1.00 0.00 N ATOM 0 H GLN B 11 1.169 -7.778 17.008 1.00 0.00 H new ATOM 0 HA GLN B 11 1.793 -5.032 17.062 1.00 0.00 H new ATOM 0 HB2 GLN B 11 3.424 -6.913 17.079 1.00 0.00 H new ATOM 0 HB3 GLN B 11 2.969 -7.326 15.438 1.00 0.00 H new ATOM 0 HG2 GLN B 11 5.018 -6.096 15.338 1.00 0.00 H new ATOM 0 HG3 GLN B 11 3.752 -5.073 14.689 1.00 0.00 H new ATOM 0 HE21 GLN B 11 5.944 -5.636 17.381 1.00 0.00 H new ATOM 0 HE22 GLN B 11 5.775 -4.039 18.119 1.00 0.00 H new ATOM 1448 N VAL B 12 0.791 -6.213 14.138 1.00 0.00 N ATOM 1449 CA VAL B 12 0.300 -5.834 12.818 1.00 0.00 C ATOM 1450 C VAL B 12 -0.945 -4.959 12.930 1.00 0.00 C ATOM 1451 O VAL B 12 -1.007 -3.878 12.344 1.00 0.00 O ATOM 1452 CB VAL B 12 -0.029 -7.072 11.954 1.00 0.00 C ATOM 1453 CG1 VAL B 12 -0.521 -6.657 10.574 1.00 0.00 C ATOM 1454 CG2 VAL B 12 1.180 -7.985 11.832 1.00 0.00 C ATOM 0 H VAL B 12 0.820 -7.219 14.301 1.00 0.00 H new ATOM 0 HA VAL B 12 1.099 -5.271 12.334 1.00 0.00 H new ATOM 0 HB VAL B 12 -0.827 -7.623 12.452 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -0.746 -7.546 9.985 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.422 -6.052 10.676 1.00 0.00 H new ATOM 0 HG13 VAL B 12 0.252 -6.075 10.072 1.00 0.00 H new ATOM 0 HG21 VAL B 12 0.923 -8.849 11.219 1.00 0.00 H new ATOM 0 HG22 VAL B 12 2.001 -7.441 11.366 1.00 0.00 H new ATOM 0 HG23 VAL B 12 1.484 -8.321 12.823 1.00 0.00 H new ATOM 1464 N GLU B 13 -1.921 -5.417 13.705 1.00 0.00 N ATOM 1465 CA GLU B 13 -3.191 -4.710 13.829 1.00 0.00 C ATOM 1466 C GLU B 13 -3.027 -3.364 14.531 1.00 0.00 C ATOM 1467 O GLU B 13 -3.749 -2.416 14.226 1.00 0.00 O ATOM 1468 CB GLU B 13 -4.214 -5.572 14.564 1.00 0.00 C ATOM 1469 CG GLU B 13 -4.649 -6.797 13.777 1.00 0.00 C ATOM 1470 CD GLU B 13 -5.368 -6.450 12.489 1.00 0.00 C ATOM 1471 OE1 GLU B 13 -6.328 -5.653 12.536 1.00 0.00 O ATOM 1472 OE2 GLU B 13 -4.999 -7.000 11.430 1.00 0.00 O ATOM 0 H GLU B 13 -1.858 -6.273 14.256 1.00 0.00 H new ATOM 0 HA GLU B 13 -3.554 -4.512 12.820 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -3.791 -5.893 15.516 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -5.091 -4.966 14.793 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -3.773 -7.403 13.546 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.304 -7.408 14.399 1.00 0.00 H new ATOM 1479 N SER B 14 -2.081 -3.276 15.462 1.00 0.00 N ATOM 1480 CA SER B 14 -1.793 -2.009 16.127 1.00 0.00 C ATOM 1481 C SER B 14 -1.220 -1.011 15.124 1.00 0.00 C ATOM 1482 O SER B 14 -1.567 0.169 15.142 1.00 0.00 O ATOM 1483 CB SER B 14 -0.824 -2.211 17.293 1.00 0.00 C ATOM 1484 OG SER B 14 -1.377 -3.082 18.264 1.00 0.00 O ATOM 0 H SER B 14 -1.505 -4.059 15.771 1.00 0.00 H new ATOM 0 HA SER B 14 -2.725 -1.611 16.529 1.00 0.00 H new ATOM 0 HB2 SER B 14 0.116 -2.621 16.923 1.00 0.00 H new ATOM 0 HB3 SER B 14 -0.594 -1.249 17.751 1.00 0.00 H new ATOM 0 HG SER B 14 -1.026 -3.987 18.130 1.00 0.00 H new ATOM 1490 N LEU B 15 -0.342 -1.499 14.251 1.00 0.00 N ATOM 1491 CA LEU B 15 0.166 -0.695 13.147 1.00 0.00 C ATOM 1492 C LEU B 15 -0.987 -0.229 12.272 1.00 0.00 C ATOM 1493 O LEU B 15 -1.203 0.968 12.106 1.00 0.00 O ATOM 1494 CB LEU B 15 1.166 -1.505 12.319 1.00 0.00 C ATOM 1495 CG LEU B 15 2.624 -1.393 12.762 1.00 0.00 C ATOM 1496 CD1 LEU B 15 3.400 -2.633 12.359 1.00 0.00 C ATOM 1497 CD2 LEU B 15 3.262 -0.160 12.146 1.00 0.00 C ATOM 0 H LEU B 15 0.031 -2.448 14.288 1.00 0.00 H new ATOM 0 HA LEU B 15 0.677 0.178 13.552 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.873 -2.554 12.351 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.094 -1.186 11.279 1.00 0.00 H new ATOM 0 HG LEU B 15 2.650 -1.304 13.848 1.00 0.00 H new ATOM 0 HD11 LEU B 15 4.436 -2.535 12.683 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.954 -3.510 12.829 1.00 0.00 H new ATOM 0 HD13 LEU B 15 3.368 -2.746 11.275 1.00 0.00 H new ATOM 0 HD21 LEU B 15 4.301 -0.089 12.468 1.00 0.00 H new ATOM 0 HD22 LEU B 15 3.223 -0.234 11.059 1.00 0.00 H new ATOM 0 HD23 LEU B 15 2.721 0.729 12.468 1.00 0.00 H new ATOM 1509 N ILE B 16 -1.737 -1.198 11.753 1.00 0.00 N ATOM 1510 CA ILE B 16 -2.904 -0.939 10.911 1.00 0.00 C ATOM 1511 C ILE B 16 -3.798 0.145 11.510 1.00 0.00 C ATOM 1512 O ILE B 16 -4.167 1.104 10.832 1.00 0.00 O ATOM 1513 CB ILE B 16 -3.720 -2.239 10.722 1.00 0.00 C ATOM 1514 CG1 ILE B 16 -2.907 -3.256 9.920 1.00 0.00 C ATOM 1515 CG2 ILE B 16 -5.058 -1.970 10.043 1.00 0.00 C ATOM 1516 CD1 ILE B 16 -3.593 -4.594 9.770 1.00 0.00 C ATOM 0 H ILE B 16 -1.552 -2.190 11.905 1.00 0.00 H new ATOM 0 HA ILE B 16 -2.544 -0.587 9.944 1.00 0.00 H new ATOM 0 HB ILE B 16 -3.931 -2.649 11.710 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -2.705 -2.848 8.930 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -1.943 -3.404 10.407 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -5.602 -2.907 9.928 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -5.644 -1.283 10.653 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -4.886 -1.527 9.062 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -2.959 -5.265 9.190 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -3.771 -5.024 10.756 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -4.544 -4.459 9.256 1.00 0.00 H new ATOM 1528 N ALA B 17 -4.110 -0.003 12.790 1.00 0.00 N ATOM 1529 CA ALA B 17 -4.995 0.923 13.479 1.00 0.00 C ATOM 1530 C ALA B 17 -4.444 2.346 13.485 1.00 0.00 C ATOM 1531 O ALA B 17 -5.141 3.285 13.106 1.00 0.00 O ATOM 1532 CB ALA B 17 -5.243 0.449 14.902 1.00 0.00 C ATOM 0 H ALA B 17 -3.760 -0.762 13.375 1.00 0.00 H new ATOM 0 HA ALA B 17 -5.938 0.942 12.933 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -5.907 1.150 15.408 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -5.705 -0.538 14.881 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -4.295 0.395 15.438 1.00 0.00 H new ATOM 1538 N GLU B 18 -3.188 2.503 13.893 1.00 0.00 N ATOM 1539 CA GLU B 18 -2.615 3.834 14.073 1.00 0.00 C ATOM 1540 C GLU B 18 -2.314 4.501 12.734 1.00 0.00 C ATOM 1541 O GLU B 18 -2.405 5.724 12.609 1.00 0.00 O ATOM 1542 CB GLU B 18 -1.352 3.772 14.935 1.00 0.00 C ATOM 1543 CG GLU B 18 -1.601 3.238 16.336 1.00 0.00 C ATOM 1544 CD GLU B 18 -0.452 3.517 17.280 1.00 0.00 C ATOM 1545 OE1 GLU B 18 0.523 2.736 17.299 1.00 0.00 O ATOM 1546 OE2 GLU B 18 -0.515 4.524 18.014 1.00 0.00 O ATOM 0 H GLU B 18 -2.552 1.734 14.104 1.00 0.00 H new ATOM 0 HA GLU B 18 -3.358 4.441 14.589 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -0.614 3.141 14.440 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -0.921 4.771 15.006 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -2.511 3.687 16.735 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -1.771 2.163 16.286 1.00 0.00 H new ATOM 1553 N ILE B 19 -1.966 3.702 11.734 1.00 0.00 N ATOM 1554 CA ILE B 19 -1.703 4.231 10.402 1.00 0.00 C ATOM 1555 C ILE B 19 -2.984 4.815 9.808 1.00 0.00 C ATOM 1556 O ILE B 19 -2.966 5.872 9.169 1.00 0.00 O ATOM 1557 CB ILE B 19 -1.131 3.146 9.462 1.00 0.00 C ATOM 1558 CG1 ILE B 19 0.159 2.565 10.045 1.00 0.00 C ATOM 1559 CG2 ILE B 19 -0.858 3.724 8.083 1.00 0.00 C ATOM 1560 CD1 ILE B 19 0.694 1.380 9.272 1.00 0.00 C ATOM 0 H ILE B 19 -1.860 2.691 11.819 1.00 0.00 H new ATOM 0 HA ILE B 19 -0.955 5.018 10.498 1.00 0.00 H new ATOM 0 HB ILE B 19 -1.870 2.350 9.369 1.00 0.00 H new ATOM 0 HG12 ILE B 19 0.920 3.345 10.070 1.00 0.00 H new ATOM 0 HG13 ILE B 19 -0.022 2.263 11.077 1.00 0.00 H new ATOM 0 HG21 ILE B 19 -0.456 2.945 7.435 1.00 0.00 H new ATOM 0 HG22 ILE B 19 -1.786 4.106 7.658 1.00 0.00 H new ATOM 0 HG23 ILE B 19 -0.136 4.536 8.165 1.00 0.00 H new ATOM 0 HD11 ILE B 19 1.609 1.021 9.743 1.00 0.00 H new ATOM 0 HD12 ILE B 19 -0.049 0.582 9.269 1.00 0.00 H new ATOM 0 HD13 ILE B 19 0.908 1.681 8.246 1.00 0.00 H new ATOM 1572 N LEU B 20 -4.101 4.137 10.052 1.00 0.00 N ATOM 1573 CA LEU B 20 -5.405 4.623 9.615 1.00 0.00 C ATOM 1574 C LEU B 20 -5.776 5.900 10.363 1.00 0.00 C ATOM 1575 O LEU B 20 -6.435 6.783 9.811 1.00 0.00 O ATOM 1576 CB LEU B 20 -6.483 3.558 9.835 1.00 0.00 C ATOM 1577 CG LEU B 20 -6.319 2.278 9.013 1.00 0.00 C ATOM 1578 CD1 LEU B 20 -7.395 1.270 9.382 1.00 0.00 C ATOM 1579 CD2 LEU B 20 -6.365 2.586 7.523 1.00 0.00 C ATOM 0 H LEU B 20 -4.129 3.248 10.551 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.344 4.842 8.549 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -6.496 3.292 10.892 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -7.454 3.996 9.605 1.00 0.00 H new ATOM 0 HG LEU B 20 -5.345 1.845 9.242 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -7.265 0.365 8.789 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -7.316 1.024 10.441 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -8.378 1.697 9.181 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -6.247 1.662 6.957 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -7.323 3.043 7.275 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -5.558 3.274 7.269 1.00 0.00 H new ATOM 1591 N VAL B 21 -5.340 5.995 11.617 1.00 0.00 N ATOM 1592 CA VAL B 21 -5.583 7.184 12.427 1.00 0.00 C ATOM 1593 C VAL B 21 -4.940 8.409 11.785 1.00 0.00 C ATOM 1594 O VAL B 21 -5.513 9.493 11.796 1.00 0.00 O ATOM 1595 CB VAL B 21 -5.056 7.016 13.875 1.00 0.00 C ATOM 1596 CG1 VAL B 21 -5.186 8.312 14.663 1.00 0.00 C ATOM 1597 CG2 VAL B 21 -5.797 5.896 14.586 1.00 0.00 C ATOM 0 H VAL B 21 -4.816 5.261 12.094 1.00 0.00 H new ATOM 0 HA VAL B 21 -6.663 7.324 12.476 1.00 0.00 H new ATOM 0 HB VAL B 21 -3.999 6.758 13.816 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -4.808 8.162 15.674 1.00 0.00 H new ATOM 0 HG12 VAL B 21 -4.609 9.096 14.172 1.00 0.00 H new ATOM 0 HG13 VAL B 21 -6.234 8.607 14.707 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -5.413 5.793 15.601 1.00 0.00 H new ATOM 0 HG22 VAL B 21 -6.861 6.129 14.622 1.00 0.00 H new ATOM 0 HG23 VAL B 21 -5.649 4.961 14.045 1.00 0.00 H new ATOM 1607 N VAL B 22 -3.755 8.226 11.211 1.00 0.00 N ATOM 1608 CA VAL B 22 -3.072 9.311 10.516 1.00 0.00 C ATOM 1609 C VAL B 22 -3.882 9.767 9.307 1.00 0.00 C ATOM 1610 O VAL B 22 -4.152 10.962 9.140 1.00 0.00 O ATOM 1611 CB VAL B 22 -1.660 8.898 10.054 1.00 0.00 C ATOM 1612 CG1 VAL B 22 -0.985 10.034 9.301 1.00 0.00 C ATOM 1613 CG2 VAL B 22 -0.815 8.471 11.242 1.00 0.00 C ATOM 0 H VAL B 22 -3.250 7.340 11.213 1.00 0.00 H new ATOM 0 HA VAL B 22 -2.975 10.133 11.226 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.758 8.050 9.376 1.00 0.00 H new ATOM 0 HG11 VAL B 22 0.010 9.720 8.985 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -1.579 10.294 8.425 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -0.901 10.903 9.953 1.00 0.00 H new ATOM 0 HG21 VAL B 22 0.178 8.183 10.897 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -0.729 9.300 11.944 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -1.287 7.623 11.738 1.00 0.00 H new ATOM 1623 N LEU B 23 -4.256 8.810 8.462 1.00 0.00 N ATOM 1624 CA LEU B 23 -5.121 9.081 7.313 1.00 0.00 C ATOM 1625 C LEU B 23 -6.368 9.869 7.715 1.00 0.00 C ATOM 1626 O LEU B 23 -6.645 10.941 7.165 1.00 0.00 O ATOM 1627 CB LEU B 23 -5.549 7.770 6.656 1.00 0.00 C ATOM 1628 CG LEU B 23 -4.419 6.949 6.044 1.00 0.00 C ATOM 1629 CD1 LEU B 23 -4.945 5.606 5.569 1.00 0.00 C ATOM 1630 CD2 LEU B 23 -3.778 7.713 4.893 1.00 0.00 C ATOM 0 H LEU B 23 -3.973 7.834 8.551 1.00 0.00 H new ATOM 0 HA LEU B 23 -4.546 9.683 6.609 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -6.058 7.159 7.401 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -6.277 7.994 5.876 1.00 0.00 H new ATOM 0 HG LEU B 23 -3.659 6.772 6.805 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -4.129 5.029 5.134 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -5.365 5.060 6.414 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -5.719 5.763 4.818 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -2.973 7.117 4.464 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -4.528 7.914 4.128 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -3.374 8.656 5.262 1.00 0.00 H new ATOM 1642 N GLU B 24 -7.105 9.348 8.687 1.00 0.00 N ATOM 1643 CA GLU B 24 -8.370 9.947 9.090 1.00 0.00 C ATOM 1644 C GLU B 24 -8.171 11.154 10.004 1.00 0.00 C ATOM 1645 O GLU B 24 -9.136 11.829 10.364 1.00 0.00 O ATOM 1646 CB GLU B 24 -9.263 8.907 9.766 1.00 0.00 C ATOM 1647 CG GLU B 24 -9.690 7.784 8.836 1.00 0.00 C ATOM 1648 CD GLU B 24 -10.313 8.300 7.553 1.00 0.00 C ATOM 1649 OE1 GLU B 24 -11.505 8.672 7.570 1.00 0.00 O ATOM 1650 OE2 GLU B 24 -9.614 8.338 6.521 1.00 0.00 O ATOM 0 H GLU B 24 -6.848 8.511 9.211 1.00 0.00 H new ATOM 0 HA GLU B 24 -8.861 10.304 8.185 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -8.732 8.482 10.618 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -10.151 9.402 10.159 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -8.824 7.168 8.594 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -10.405 7.142 9.351 1.00 0.00 H new ATOM 1657 N LYS B 25 -6.927 11.428 10.380 1.00 0.00 N ATOM 1658 CA LYS B 25 -6.614 12.630 11.144 1.00 0.00 C ATOM 1659 C LYS B 25 -6.725 13.843 10.230 1.00 0.00 C ATOM 1660 O LYS B 25 -7.170 14.915 10.640 1.00 0.00 O ATOM 1661 CB LYS B 25 -5.207 12.547 11.752 1.00 0.00 C ATOM 1662 CG LYS B 25 -4.890 13.678 12.719 1.00 0.00 C ATOM 1663 CD LYS B 25 -3.506 13.529 13.337 1.00 0.00 C ATOM 1664 CE LYS B 25 -2.402 13.625 12.294 1.00 0.00 C ATOM 1665 NZ LYS B 25 -1.049 13.618 12.912 1.00 0.00 N ATOM 0 H LYS B 25 -6.122 10.837 10.170 1.00 0.00 H new ATOM 0 HA LYS B 25 -7.324 12.722 11.966 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -5.102 11.595 12.273 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -4.472 12.553 10.947 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -4.952 14.632 12.195 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -5.640 13.700 13.510 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -3.361 14.303 14.091 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -3.439 12.569 13.848 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -2.487 12.790 11.598 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -2.530 14.538 11.713 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -0.326 13.582 12.165 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -0.921 14.482 13.477 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -0.953 12.785 13.527 1.00 0.00 H new ATOM 1679 N HIS B 26 -6.332 13.652 8.975 1.00 0.00 N ATOM 1680 CA HIS B 26 -6.476 14.690 7.962 1.00 0.00 C ATOM 1681 C HIS B 26 -7.857 14.607 7.327 1.00 0.00 C ATOM 1682 O HIS B 26 -8.305 15.549 6.673 1.00 0.00 O ATOM 1683 CB HIS B 26 -5.417 14.550 6.862 1.00 0.00 C ATOM 1684 CG HIS B 26 -4.021 14.893 7.288 1.00 0.00 C ATOM 1685 ND1 HIS B 26 -3.464 16.143 7.109 1.00 0.00 N ATOM 1686 CD2 HIS B 26 -3.056 14.137 7.865 1.00 0.00 C ATOM 1687 CE1 HIS B 26 -2.222 16.138 7.553 1.00 0.00 C ATOM 1688 NE2 HIS B 26 -1.952 14.937 8.015 1.00 0.00 N ATOM 0 H HIS B 26 -5.911 12.787 8.635 1.00 0.00 H new ATOM 0 HA HIS B 26 -6.344 15.653 8.455 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -5.428 13.524 6.494 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -5.695 15.191 6.026 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -3.140 13.099 8.153 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -1.543 16.977 7.539 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -1.062 14.646 8.421 1.00 0.00 H new ATOM 1697 N LYS B 27 -8.515 13.464 7.536 1.00 0.00 N ATOM 1698 CA LYS B 27 -9.788 13.157 6.888 1.00 0.00 C ATOM 1699 C LYS B 27 -9.585 13.147 5.375 1.00 0.00 C ATOM 1700 O LYS B 27 -10.347 13.744 4.611 1.00 0.00 O ATOM 1701 CB LYS B 27 -10.874 14.162 7.298 1.00 0.00 C ATOM 1702 CG LYS B 27 -12.267 13.800 6.804 1.00 0.00 C ATOM 1703 CD LYS B 27 -13.301 14.825 7.232 1.00 0.00 C ATOM 1704 CE LYS B 27 -14.665 14.524 6.635 1.00 0.00 C ATOM 1705 NZ LYS B 27 -14.675 14.664 5.154 1.00 0.00 N ATOM 0 H LYS B 27 -8.180 12.728 8.158 1.00 0.00 H new ATOM 0 HA LYS B 27 -10.129 12.173 7.210 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -10.893 14.238 8.385 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -10.608 15.147 6.914 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -12.259 13.724 5.717 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -12.546 12.819 7.190 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -13.374 14.838 8.320 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -12.979 15.819 6.923 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -14.962 13.510 6.904 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -15.405 15.198 7.067 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -15.658 14.702 4.816 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -14.182 15.539 4.885 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -14.192 13.849 4.725 1.00 0.00 H new ATOM 1719 N ALA B 28 -8.536 12.452 4.957 1.00 0.00 N ATOM 1720 CA ALA B 28 -8.152 12.398 3.556 1.00 0.00 C ATOM 1721 C ALA B 28 -9.216 11.699 2.716 1.00 0.00 C ATOM 1722 O ALA B 28 -9.732 10.645 3.102 1.00 0.00 O ATOM 1723 CB ALA B 28 -6.810 11.692 3.405 1.00 0.00 C ATOM 0 H ALA B 28 -7.931 11.913 5.577 1.00 0.00 H new ATOM 0 HA ALA B 28 -8.058 13.421 3.193 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -6.533 11.658 2.351 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -6.048 12.236 3.963 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -6.888 10.676 3.793 1.00 0.00 H new ATOM 1729 N PRO B 29 -9.573 12.295 1.567 1.00 0.00 N ATOM 1730 CA PRO B 29 -10.503 11.687 0.611 1.00 0.00 C ATOM 1731 C PRO B 29 -9.994 10.337 0.120 1.00 0.00 C ATOM 1732 O PRO B 29 -8.812 10.018 0.276 1.00 0.00 O ATOM 1733 CB PRO B 29 -10.555 12.695 -0.543 1.00 0.00 C ATOM 1734 CG PRO B 29 -10.101 13.984 0.051 1.00 0.00 C ATOM 1735 CD PRO B 29 -9.106 13.617 1.112 1.00 0.00 C ATOM 0 HA PRO B 29 -11.480 11.492 1.053 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -9.907 12.389 -1.364 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -11.564 12.780 -0.948 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -9.648 14.625 -0.705 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -10.940 14.536 0.475 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -8.092 13.571 0.715 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -9.098 14.343 1.925 1.00 0.00 H new ATOM 1743 N THR B 30 -10.879 9.555 -0.477 1.00 0.00 N ATOM 1744 CA THR B 30 -10.556 8.203 -0.913 1.00 0.00 C ATOM 1745 C THR B 30 -9.336 8.173 -1.836 1.00 0.00 C ATOM 1746 O THR B 30 -8.442 7.340 -1.672 1.00 0.00 O ATOM 1747 CB THR B 30 -11.765 7.576 -1.627 1.00 0.00 C ATOM 1748 OG1 THR B 30 -12.918 7.705 -0.787 1.00 0.00 O ATOM 1749 CG2 THR B 30 -11.518 6.108 -1.944 1.00 0.00 C ATOM 0 H THR B 30 -11.839 9.837 -0.673 1.00 0.00 H new ATOM 0 HA THR B 30 -10.312 7.623 -0.023 1.00 0.00 H new ATOM 0 HB THR B 30 -11.926 8.098 -2.570 1.00 0.00 H new ATOM 0 HG1 THR B 30 -13.695 7.309 -1.235 1.00 0.00 H new ATOM 0 HG21 THR B 30 -12.391 5.693 -2.448 1.00 0.00 H new ATOM 0 HG22 THR B 30 -10.647 6.017 -2.593 1.00 0.00 H new ATOM 0 HG23 THR B 30 -11.340 5.561 -1.018 1.00 0.00 H new ATOM 1757 N ASP B 31 -9.282 9.108 -2.773 1.00 0.00 N ATOM 1758 CA ASP B 31 -8.208 9.147 -3.757 1.00 0.00 C ATOM 1759 C ASP B 31 -6.895 9.619 -3.129 1.00 0.00 C ATOM 1760 O ASP B 31 -5.818 9.182 -3.534 1.00 0.00 O ATOM 1761 CB ASP B 31 -8.597 10.025 -4.955 1.00 0.00 C ATOM 1762 CG ASP B 31 -8.977 11.447 -4.577 1.00 0.00 C ATOM 1763 OD1 ASP B 31 -9.620 11.642 -3.523 1.00 0.00 O ATOM 1764 OD2 ASP B 31 -8.660 12.373 -5.354 1.00 0.00 O ATOM 0 H ASP B 31 -9.972 9.853 -2.873 1.00 0.00 H new ATOM 0 HA ASP B 31 -8.051 8.131 -4.120 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -7.763 10.056 -5.656 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -9.435 9.562 -5.476 1.00 0.00 H new ATOM 1769 N LEU B 32 -6.980 10.491 -2.130 1.00 0.00 N ATOM 1770 CA LEU B 32 -5.789 10.929 -1.402 1.00 0.00 C ATOM 1771 C LEU B 32 -5.311 9.827 -0.458 1.00 0.00 C ATOM 1772 O LEU B 32 -4.112 9.662 -0.242 1.00 0.00 O ATOM 1773 CB LEU B 32 -6.064 12.224 -0.623 1.00 0.00 C ATOM 1774 CG LEU B 32 -4.862 12.814 0.136 1.00 0.00 C ATOM 1775 CD1 LEU B 32 -3.657 12.971 -0.784 1.00 0.00 C ATOM 1776 CD2 LEU B 32 -5.234 14.156 0.748 1.00 0.00 C ATOM 0 H LEU B 32 -7.853 10.907 -1.806 1.00 0.00 H new ATOM 0 HA LEU B 32 -5.002 11.134 -2.128 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -6.433 12.975 -1.321 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -6.864 12.033 0.092 1.00 0.00 H new ATOM 0 HG LEU B 32 -4.592 12.122 0.934 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -2.822 13.390 -0.222 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -3.374 11.997 -1.182 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -3.912 13.639 -1.607 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -4.375 14.563 1.282 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -5.531 14.846 -0.042 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -6.063 14.022 1.443 1.00 0.00 H new ATOM 1788 N SER B 33 -6.257 9.065 0.084 1.00 0.00 N ATOM 1789 CA SER B 33 -5.930 7.946 0.961 1.00 0.00 C ATOM 1790 C SER B 33 -5.093 6.914 0.209 1.00 0.00 C ATOM 1791 O SER B 33 -4.062 6.456 0.701 1.00 0.00 O ATOM 1792 CB SER B 33 -7.208 7.287 1.494 1.00 0.00 C ATOM 1793 OG SER B 33 -8.024 8.223 2.182 1.00 0.00 O ATOM 0 H SER B 33 -7.256 9.202 -0.069 1.00 0.00 H new ATOM 0 HA SER B 33 -5.355 8.329 1.804 1.00 0.00 H new ATOM 0 HB2 SER B 33 -7.768 6.853 0.666 1.00 0.00 H new ATOM 0 HB3 SER B 33 -6.945 6.469 2.165 1.00 0.00 H new ATOM 0 HG SER B 33 -8.382 8.876 1.545 1.00 0.00 H new ATOM 1799 N LEU B 34 -5.538 6.573 -0.995 1.00 0.00 N ATOM 1800 CA LEU B 34 -4.840 5.596 -1.821 1.00 0.00 C ATOM 1801 C LEU B 34 -3.491 6.138 -2.282 1.00 0.00 C ATOM 1802 O LEU B 34 -2.516 5.395 -2.378 1.00 0.00 O ATOM 1803 CB LEU B 34 -5.697 5.214 -3.030 1.00 0.00 C ATOM 1804 CG LEU B 34 -7.053 4.586 -2.693 1.00 0.00 C ATOM 1805 CD1 LEU B 34 -7.846 4.319 -3.962 1.00 0.00 C ATOM 1806 CD2 LEU B 34 -6.865 3.300 -1.899 1.00 0.00 C ATOM 0 H LEU B 34 -6.380 6.960 -1.421 1.00 0.00 H new ATOM 0 HA LEU B 34 -4.663 4.705 -1.218 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -5.867 6.107 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.134 4.515 -3.649 1.00 0.00 H new ATOM 0 HG LEU B 34 -7.614 5.289 -2.078 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -8.806 3.873 -3.704 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -8.012 5.257 -4.491 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -7.289 3.635 -4.602 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -7.839 2.869 -1.669 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -6.284 2.590 -2.488 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.337 3.519 -0.971 1.00 0.00 H new ATOM 1818 N MET B 35 -3.438 7.437 -2.553 1.00 0.00 N ATOM 1819 CA MET B 35 -2.203 8.077 -2.993 1.00 0.00 C ATOM 1820 C MET B 35 -1.164 8.081 -1.876 1.00 0.00 C ATOM 1821 O MET B 35 -0.002 7.753 -2.104 1.00 0.00 O ATOM 1822 CB MET B 35 -2.479 9.506 -3.465 1.00 0.00 C ATOM 1823 CG MET B 35 -1.226 10.270 -3.864 1.00 0.00 C ATOM 1824 SD MET B 35 -1.595 11.883 -4.581 1.00 0.00 S ATOM 1825 CE MET B 35 -2.427 11.394 -6.090 1.00 0.00 C ATOM 0 H MET B 35 -4.236 8.068 -2.476 1.00 0.00 H new ATOM 0 HA MET B 35 -1.804 7.503 -3.829 1.00 0.00 H new ATOM 0 HB2 MET B 35 -3.160 9.473 -4.315 1.00 0.00 H new ATOM 0 HB3 MET B 35 -2.988 10.050 -2.669 1.00 0.00 H new ATOM 0 HG2 MET B 35 -0.592 10.403 -2.988 1.00 0.00 H new ATOM 0 HG3 MET B 35 -0.658 9.679 -4.582 1.00 0.00 H new ATOM 0 HE1 MET B 35 -2.358 12.199 -6.821 1.00 0.00 H new ATOM 0 HE2 MET B 35 -1.955 10.497 -6.492 1.00 0.00 H new ATOM 0 HE3 MET B 35 -3.476 11.187 -5.877 1.00 0.00 H new ATOM 1835 N ALA B 36 -1.588 8.447 -0.668 1.00 0.00 N ATOM 1836 CA ALA B 36 -0.692 8.471 0.482 1.00 0.00 C ATOM 1837 C ALA B 36 -0.077 7.096 0.712 1.00 0.00 C ATOM 1838 O ALA B 36 1.142 6.958 0.800 1.00 0.00 O ATOM 1839 CB ALA B 36 -1.436 8.937 1.725 1.00 0.00 C ATOM 0 H ALA B 36 -2.546 8.730 -0.462 1.00 0.00 H new ATOM 0 HA ALA B 36 0.113 9.176 0.276 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.753 8.949 2.575 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -1.828 9.941 1.560 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -2.261 8.255 1.932 1.00 0.00 H new ATOM 1845 N LEU B 37 -0.933 6.085 0.800 1.00 0.00 N ATOM 1846 CA LEU B 37 -0.485 4.703 0.936 1.00 0.00 C ATOM 1847 C LEU B 37 0.403 4.290 -0.234 1.00 0.00 C ATOM 1848 O LEU B 37 1.512 3.804 -0.030 1.00 0.00 O ATOM 1849 CB LEU B 37 -1.686 3.753 1.035 1.00 0.00 C ATOM 1850 CG LEU B 37 -2.252 3.535 2.444 1.00 0.00 C ATOM 1851 CD1 LEU B 37 -1.248 2.804 3.314 1.00 0.00 C ATOM 1852 CD2 LEU B 37 -2.638 4.856 3.085 1.00 0.00 C ATOM 0 H LEU B 37 -1.947 6.197 0.780 1.00 0.00 H new ATOM 0 HA LEU B 37 0.100 4.637 1.853 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -2.483 4.139 0.400 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -1.394 2.785 0.628 1.00 0.00 H new ATOM 0 HG LEU B 37 -3.149 2.923 2.355 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -1.667 2.658 4.310 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -1.020 1.835 2.871 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -0.334 3.393 3.388 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -3.036 4.673 4.083 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -1.759 5.496 3.157 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -3.396 5.348 2.476 1.00 0.00 H new ATOM 1864 N GLY B 38 -0.083 4.503 -1.453 1.00 0.00 N ATOM 1865 CA GLY B 38 0.643 4.081 -2.641 1.00 0.00 C ATOM 1866 C GLY B 38 2.038 4.669 -2.726 1.00 0.00 C ATOM 1867 O GLY B 38 3.016 3.946 -2.941 1.00 0.00 O ATOM 0 H GLY B 38 -0.973 4.964 -1.641 1.00 0.00 H new ATOM 0 HA2 GLY B 38 0.713 2.993 -2.650 1.00 0.00 H new ATOM 0 HA3 GLY B 38 0.078 4.371 -3.527 1.00 0.00 H new ATOM 1871 N ASN B 39 2.136 5.977 -2.548 1.00 0.00 N ATOM 1872 CA ASN B 39 3.424 6.656 -2.600 1.00 0.00 C ATOM 1873 C ASN B 39 4.318 6.197 -1.454 1.00 0.00 C ATOM 1874 O ASN B 39 5.532 6.095 -1.611 1.00 0.00 O ATOM 1875 CB ASN B 39 3.250 8.177 -2.550 1.00 0.00 C ATOM 1876 CG ASN B 39 2.643 8.754 -3.817 1.00 0.00 C ATOM 1877 OD1 ASN B 39 1.848 8.108 -4.498 1.00 0.00 O ATOM 1878 ND2 ASN B 39 3.021 9.979 -4.148 1.00 0.00 N ATOM 0 H ASN B 39 1.341 6.590 -2.366 1.00 0.00 H new ATOM 0 HA ASN B 39 3.898 6.395 -3.546 1.00 0.00 H new ATOM 0 HB2 ASN B 39 2.617 8.436 -1.701 1.00 0.00 H new ATOM 0 HB3 ASN B 39 4.221 8.641 -2.376 1.00 0.00 H new ATOM 0 HD21 ASN B 39 2.651 10.416 -4.992 1.00 0.00 H new ATOM 0 HD22 ASN B 39 3.682 10.485 -3.559 1.00 0.00 H new ATOM 1885 N CYS B 40 3.710 5.909 -0.308 1.00 0.00 N ATOM 1886 CA CYS B 40 4.449 5.430 0.854 1.00 0.00 C ATOM 1887 C CYS B 40 4.993 4.025 0.601 1.00 0.00 C ATOM 1888 O CYS B 40 6.161 3.746 0.876 1.00 0.00 O ATOM 1889 CB CYS B 40 3.552 5.434 2.096 1.00 0.00 C ATOM 1890 SG CYS B 40 4.407 5.019 3.633 1.00 0.00 S ATOM 0 H CYS B 40 2.705 5.999 -0.159 1.00 0.00 H new ATOM 0 HA CYS B 40 5.290 6.102 1.027 1.00 0.00 H new ATOM 0 HB2 CYS B 40 3.100 6.421 2.200 1.00 0.00 H new ATOM 0 HB3 CYS B 40 2.738 4.725 1.944 1.00 0.00 H new ATOM 0 HG CYS B 40 3.536 4.865 4.586 1.00 0.00 H new ATOM 1896 N VAL B 41 4.145 3.147 0.061 1.00 0.00 N ATOM 1897 CA VAL B 41 4.553 1.784 -0.279 1.00 0.00 C ATOM 1898 C VAL B 41 5.735 1.815 -1.242 1.00 0.00 C ATOM 1899 O VAL B 41 6.734 1.127 -1.039 1.00 0.00 O ATOM 1900 CB VAL B 41 3.388 0.977 -0.910 1.00 0.00 C ATOM 1901 CG1 VAL B 41 3.845 -0.409 -1.350 1.00 0.00 C ATOM 1902 CG2 VAL B 41 2.226 0.857 0.062 1.00 0.00 C ATOM 0 H VAL B 41 3.170 3.357 -0.150 1.00 0.00 H new ATOM 0 HA VAL B 41 4.846 1.288 0.646 1.00 0.00 H new ATOM 0 HB VAL B 41 3.055 1.522 -1.793 1.00 0.00 H new ATOM 0 HG11 VAL B 41 3.004 -0.947 -1.788 1.00 0.00 H new ATOM 0 HG12 VAL B 41 4.639 -0.312 -2.090 1.00 0.00 H new ATOM 0 HG13 VAL B 41 4.219 -0.960 -0.487 1.00 0.00 H new ATOM 0 HG21 VAL B 41 1.421 0.287 -0.402 1.00 0.00 H new ATOM 0 HG22 VAL B 41 2.559 0.346 0.965 1.00 0.00 H new ATOM 0 HG23 VAL B 41 1.864 1.852 0.321 1.00 0.00 H new ATOM 1912 N THR B 42 5.627 2.646 -2.270 1.00 0.00 N ATOM 1913 CA THR B 42 6.688 2.782 -3.254 1.00 0.00 C ATOM 1914 C THR B 42 7.925 3.438 -2.633 1.00 0.00 C ATOM 1915 O THR B 42 9.054 3.096 -2.971 1.00 0.00 O ATOM 1916 CB THR B 42 6.222 3.613 -4.463 1.00 0.00 C ATOM 1917 OG1 THR B 42 4.902 3.210 -4.847 1.00 0.00 O ATOM 1918 CG2 THR B 42 7.163 3.423 -5.641 1.00 0.00 C ATOM 0 H THR B 42 4.813 3.236 -2.443 1.00 0.00 H new ATOM 0 HA THR B 42 6.946 1.779 -3.595 1.00 0.00 H new ATOM 0 HB THR B 42 6.221 4.665 -4.176 1.00 0.00 H new ATOM 0 HG1 THR B 42 4.247 3.617 -4.242 1.00 0.00 H new ATOM 0 HG21 THR B 42 6.815 4.019 -6.485 1.00 0.00 H new ATOM 0 HG22 THR B 42 8.167 3.743 -5.360 1.00 0.00 H new ATOM 0 HG23 THR B 42 7.183 2.371 -5.924 1.00 0.00 H new ATOM 1926 N HIS B 43 7.700 4.370 -1.708 1.00 0.00 N ATOM 1927 CA HIS B 43 8.791 5.071 -1.036 1.00 0.00 C ATOM 1928 C HIS B 43 9.621 4.094 -0.206 1.00 0.00 C ATOM 1929 O HIS B 43 10.838 4.230 -0.096 1.00 0.00 O ATOM 1930 CB HIS B 43 8.230 6.185 -0.142 1.00 0.00 C ATOM 1931 CG HIS B 43 9.251 7.179 0.319 1.00 0.00 C ATOM 1932 ND1 HIS B 43 9.497 8.360 -0.344 1.00 0.00 N ATOM 1933 CD2 HIS B 43 10.074 7.175 1.393 1.00 0.00 C ATOM 1934 CE1 HIS B 43 10.427 9.040 0.299 1.00 0.00 C ATOM 1935 NE2 HIS B 43 10.794 8.343 1.358 1.00 0.00 N ATOM 0 H HIS B 43 6.769 4.657 -1.407 1.00 0.00 H new ATOM 0 HA HIS B 43 9.437 5.518 -1.792 1.00 0.00 H new ATOM 0 HB2 HIS B 43 7.447 6.712 -0.687 1.00 0.00 H new ATOM 0 HB3 HIS B 43 7.761 5.732 0.731 1.00 0.00 H new ATOM 0 HD2 HIS B 43 10.150 6.398 2.139 1.00 0.00 H new ATOM 0 HE1 HIS B 43 10.821 10.003 0.008 1.00 0.00 H new ATOM 0 HE2 HIS B 43 11.498 8.626 2.039 1.00 0.00 H new ATOM 1944 N LEU B 44 8.949 3.113 0.379 1.00 0.00 N ATOM 1945 CA LEU B 44 9.627 2.065 1.129 1.00 0.00 C ATOM 1946 C LEU B 44 10.270 1.070 0.173 1.00 0.00 C ATOM 1947 O LEU B 44 11.405 0.642 0.375 1.00 0.00 O ATOM 1948 CB LEU B 44 8.641 1.339 2.045 1.00 0.00 C ATOM 1949 CG LEU B 44 7.979 2.211 3.114 1.00 0.00 C ATOM 1950 CD1 LEU B 44 6.917 1.422 3.859 1.00 0.00 C ATOM 1951 CD2 LEU B 44 9.022 2.747 4.085 1.00 0.00 C ATOM 0 H LEU B 44 7.934 3.021 0.349 1.00 0.00 H new ATOM 0 HA LEU B 44 10.402 2.525 1.742 1.00 0.00 H new ATOM 0 HB2 LEU B 44 7.860 0.892 1.430 1.00 0.00 H new ATOM 0 HB3 LEU B 44 9.165 0.521 2.540 1.00 0.00 H new ATOM 0 HG LEU B 44 7.499 3.057 2.621 1.00 0.00 H new ATOM 0 HD11 LEU B 44 6.456 2.057 4.616 1.00 0.00 H new ATOM 0 HD12 LEU B 44 6.156 1.083 3.156 1.00 0.00 H new ATOM 0 HD13 LEU B 44 7.376 0.559 4.340 1.00 0.00 H new ATOM 0 HD21 LEU B 44 8.534 3.365 4.839 1.00 0.00 H new ATOM 0 HD22 LEU B 44 9.528 1.913 4.572 1.00 0.00 H new ATOM 0 HD23 LEU B 44 9.752 3.347 3.541 1.00 0.00 H new ATOM 1963 N LEU B 45 9.531 0.726 -0.874 1.00 0.00 N ATOM 1964 CA LEU B 45 9.981 -0.227 -1.879 1.00 0.00 C ATOM 1965 C LEU B 45 11.280 0.248 -2.531 1.00 0.00 C ATOM 1966 O LEU B 45 12.251 -0.501 -2.612 1.00 0.00 O ATOM 1967 CB LEU B 45 8.867 -0.407 -2.927 1.00 0.00 C ATOM 1968 CG LEU B 45 9.049 -1.543 -3.942 1.00 0.00 C ATOM 1969 CD1 LEU B 45 7.701 -1.950 -4.514 1.00 0.00 C ATOM 1970 CD2 LEU B 45 9.976 -1.121 -5.071 1.00 0.00 C ATOM 0 H LEU B 45 8.599 1.102 -1.050 1.00 0.00 H new ATOM 0 HA LEU B 45 10.188 -1.187 -1.407 1.00 0.00 H new ATOM 0 HB2 LEU B 45 7.927 -0.570 -2.399 1.00 0.00 H new ATOM 0 HB3 LEU B 45 8.765 0.528 -3.478 1.00 0.00 H new ATOM 0 HG LEU B 45 9.497 -2.392 -3.425 1.00 0.00 H new ATOM 0 HD11 LEU B 45 7.840 -2.757 -5.234 1.00 0.00 H new ATOM 0 HD12 LEU B 45 7.051 -2.291 -3.708 1.00 0.00 H new ATOM 0 HD13 LEU B 45 7.244 -1.095 -5.012 1.00 0.00 H new ATOM 0 HD21 LEU B 45 10.088 -1.944 -5.777 1.00 0.00 H new ATOM 0 HD22 LEU B 45 9.554 -0.257 -5.585 1.00 0.00 H new ATOM 0 HD23 LEU B 45 10.952 -0.858 -4.662 1.00 0.00 H new ATOM 1982 N GLU B 46 11.295 1.501 -2.968 1.00 0.00 N ATOM 1983 CA GLU B 46 12.446 2.066 -3.666 1.00 0.00 C ATOM 1984 C GLU B 46 13.668 2.155 -2.744 1.00 0.00 C ATOM 1985 O GLU B 46 14.804 1.991 -3.182 1.00 0.00 O ATOM 1986 CB GLU B 46 12.098 3.463 -4.196 1.00 0.00 C ATOM 1987 CG GLU B 46 13.080 4.001 -5.225 1.00 0.00 C ATOM 1988 CD GLU B 46 12.631 3.745 -6.651 1.00 0.00 C ATOM 1989 OE1 GLU B 46 12.747 2.596 -7.123 1.00 0.00 O ATOM 1990 OE2 GLU B 46 12.162 4.706 -7.305 1.00 0.00 O ATOM 0 H GLU B 46 10.517 2.151 -2.851 1.00 0.00 H new ATOM 0 HA GLU B 46 12.693 1.407 -4.498 1.00 0.00 H new ATOM 0 HB2 GLU B 46 11.103 3.433 -4.640 1.00 0.00 H new ATOM 0 HB3 GLU B 46 12.052 4.157 -3.357 1.00 0.00 H new ATOM 0 HG2 GLU B 46 13.206 5.073 -5.075 1.00 0.00 H new ATOM 0 HG3 GLU B 46 14.055 3.540 -5.067 1.00 0.00 H new ATOM 1997 N ARG B 47 13.435 2.394 -1.460 1.00 0.00 N ATOM 1998 CA ARG B 47 14.531 2.632 -0.532 1.00 0.00 C ATOM 1999 C ARG B 47 15.053 1.330 0.059 1.00 0.00 C ATOM 2000 O ARG B 47 16.263 1.115 0.137 1.00 0.00 O ATOM 2001 CB ARG B 47 14.086 3.558 0.600 1.00 0.00 C ATOM 2002 CG ARG B 47 14.838 4.881 0.654 1.00 0.00 C ATOM 2003 CD ARG B 47 16.349 4.683 0.678 1.00 0.00 C ATOM 2004 NE ARG B 47 16.770 3.679 1.660 1.00 0.00 N ATOM 2005 CZ ARG B 47 17.750 3.861 2.547 1.00 0.00 C ATOM 2006 NH1 ARG B 47 18.374 5.029 2.630 1.00 0.00 N ATOM 2007 NH2 ARG B 47 18.099 2.874 3.362 1.00 0.00 N ATOM 0 H ARG B 47 12.506 2.428 -1.041 1.00 0.00 H new ATOM 0 HA ARG B 47 15.335 3.106 -1.095 1.00 0.00 H new ATOM 0 HB2 ARG B 47 13.021 3.762 0.490 1.00 0.00 H new ATOM 0 HB3 ARG B 47 14.215 3.040 1.550 1.00 0.00 H new ATOM 0 HG2 ARG B 47 14.566 5.487 -0.210 1.00 0.00 H new ATOM 0 HG3 ARG B 47 14.532 5.435 1.541 1.00 0.00 H new ATOM 0 HD2 ARG B 47 16.688 4.381 -0.313 1.00 0.00 H new ATOM 0 HD3 ARG B 47 16.833 5.633 0.905 1.00 0.00 H new ATOM 0 HE ARG B 47 16.282 2.783 1.665 1.00 0.00 H new ATOM 0 HH11 ARG B 47 18.105 5.796 2.013 1.00 0.00 H new ATOM 0 HH12 ARG B 47 19.122 5.160 3.311 1.00 0.00 H new ATOM 0 HH21 ARG B 47 17.618 1.976 3.311 1.00 0.00 H new ATOM 0 HH22 ARG B 47 18.848 3.013 4.040 1.00 0.00 H new ATOM 2021 N LYS B 48 14.141 0.470 0.481 1.00 0.00 N ATOM 2022 CA LYS B 48 14.515 -0.731 1.210 1.00 0.00 C ATOM 2023 C LYS B 48 14.858 -1.879 0.271 1.00 0.00 C ATOM 2024 O LYS B 48 15.729 -2.695 0.568 1.00 0.00 O ATOM 2025 CB LYS B 48 13.390 -1.149 2.161 1.00 0.00 C ATOM 2026 CG LYS B 48 13.164 -0.171 3.302 1.00 0.00 C ATOM 2027 CD LYS B 48 11.970 -0.570 4.155 1.00 0.00 C ATOM 2028 CE LYS B 48 11.862 0.298 5.398 1.00 0.00 C ATOM 2029 NZ LYS B 48 12.981 0.055 6.348 1.00 0.00 N ATOM 0 H LYS B 48 13.138 0.580 0.332 1.00 0.00 H new ATOM 0 HA LYS B 48 15.408 -0.497 1.789 1.00 0.00 H new ATOM 0 HB2 LYS B 48 12.465 -1.252 1.593 1.00 0.00 H new ATOM 0 HB3 LYS B 48 13.621 -2.130 2.575 1.00 0.00 H new ATOM 0 HG2 LYS B 48 14.057 -0.125 3.925 1.00 0.00 H new ATOM 0 HG3 LYS B 48 13.005 0.829 2.898 1.00 0.00 H new ATOM 0 HD2 LYS B 48 11.056 -0.483 3.568 1.00 0.00 H new ATOM 0 HD3 LYS B 48 12.063 -1.616 4.447 1.00 0.00 H new ATOM 0 HE2 LYS B 48 11.856 1.348 5.107 1.00 0.00 H new ATOM 0 HE3 LYS B 48 10.913 0.100 5.897 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 12.745 0.464 7.275 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 13.134 -0.969 6.450 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 13.848 0.500 5.985 1.00 0.00 H new ATOM 2043 N VAL B 49 14.186 -1.935 -0.864 1.00 0.00 N ATOM 2044 CA VAL B 49 14.367 -3.038 -1.790 1.00 0.00 C ATOM 2045 C VAL B 49 15.370 -2.676 -2.882 1.00 0.00 C ATOM 2046 O VAL B 49 15.281 -1.606 -3.488 1.00 0.00 O ATOM 2047 CB VAL B 49 13.024 -3.447 -2.433 1.00 0.00 C ATOM 2048 CG1 VAL B 49 13.198 -4.669 -3.319 1.00 0.00 C ATOM 2049 CG2 VAL B 49 11.975 -3.708 -1.361 1.00 0.00 C ATOM 0 H VAL B 49 13.512 -1.232 -1.166 1.00 0.00 H new ATOM 0 HA VAL B 49 14.756 -3.882 -1.221 1.00 0.00 H new ATOM 0 HB VAL B 49 12.681 -2.622 -3.057 1.00 0.00 H new ATOM 0 HG11 VAL B 49 12.238 -4.938 -3.761 1.00 0.00 H new ATOM 0 HG12 VAL B 49 13.912 -4.445 -4.111 1.00 0.00 H new ATOM 0 HG13 VAL B 49 13.568 -5.502 -2.721 1.00 0.00 H new ATOM 0 HG21 VAL B 49 11.036 -3.995 -1.833 1.00 0.00 H new ATOM 0 HG22 VAL B 49 12.314 -4.513 -0.709 1.00 0.00 H new ATOM 0 HG23 VAL B 49 11.824 -2.803 -0.772 1.00 0.00 H new ATOM 2059 N PRO B 50 16.358 -3.559 -3.123 1.00 0.00 N ATOM 2060 CA PRO B 50 17.335 -3.383 -4.203 1.00 0.00 C ATOM 2061 C PRO B 50 16.655 -3.211 -5.557 1.00 0.00 C ATOM 2062 O PRO B 50 15.616 -3.821 -5.808 1.00 0.00 O ATOM 2063 CB PRO B 50 18.136 -4.687 -4.181 1.00 0.00 C ATOM 2064 CG PRO B 50 17.976 -5.210 -2.797 1.00 0.00 C ATOM 2065 CD PRO B 50 16.605 -4.790 -2.351 1.00 0.00 C ATOM 0 HA PRO B 50 17.946 -2.491 -4.061 1.00 0.00 H new ATOM 0 HB2 PRO B 50 17.758 -5.396 -4.918 1.00 0.00 H new ATOM 0 HB3 PRO B 50 19.185 -4.511 -4.418 1.00 0.00 H new ATOM 0 HG2 PRO B 50 18.078 -6.295 -2.776 1.00 0.00 H new ATOM 0 HG3 PRO B 50 18.742 -4.805 -2.136 1.00 0.00 H new ATOM 0 HD2 PRO B 50 15.860 -5.556 -2.566 1.00 0.00 H new ATOM 0 HD3 PRO B 50 16.571 -4.605 -1.277 1.00 0.00 H new ATOM 2073 N SER B 51 17.255 -2.398 -6.424 1.00 0.00 N ATOM 2074 CA SER B 51 16.691 -2.092 -7.738 1.00 0.00 C ATOM 2075 C SER B 51 16.317 -3.367 -8.494 1.00 0.00 C ATOM 2076 O SER B 51 15.273 -3.438 -9.141 1.00 0.00 O ATOM 2077 CB SER B 51 17.704 -1.283 -8.554 1.00 0.00 C ATOM 2078 OG SER B 51 18.299 -0.263 -7.765 1.00 0.00 O ATOM 0 H SER B 51 18.144 -1.934 -6.237 1.00 0.00 H new ATOM 0 HA SER B 51 15.782 -1.508 -7.592 1.00 0.00 H new ATOM 0 HB2 SER B 51 18.478 -1.947 -8.939 1.00 0.00 H new ATOM 0 HB3 SER B 51 17.208 -0.837 -9.416 1.00 0.00 H new ATOM 0 HG SER B 51 18.943 0.238 -8.309 1.00 0.00 H new ATOM 2084 N GLU B 52 17.170 -4.374 -8.378 1.00 0.00 N ATOM 2085 CA GLU B 52 16.979 -5.648 -9.063 1.00 0.00 C ATOM 2086 C GLU B 52 15.799 -6.437 -8.487 1.00 0.00 C ATOM 2087 O GLU B 52 15.194 -7.257 -9.178 1.00 0.00 O ATOM 2088 CB GLU B 52 18.259 -6.472 -8.944 1.00 0.00 C ATOM 2089 CG GLU B 52 18.692 -6.690 -7.504 1.00 0.00 C ATOM 2090 CD GLU B 52 20.066 -7.304 -7.394 1.00 0.00 C ATOM 2091 OE1 GLU B 52 20.182 -8.534 -7.569 1.00 0.00 O ATOM 2092 OE2 GLU B 52 21.035 -6.565 -7.129 1.00 0.00 O ATOM 0 H GLU B 52 18.014 -4.333 -7.807 1.00 0.00 H new ATOM 0 HA GLU B 52 16.754 -5.442 -10.109 1.00 0.00 H new ATOM 0 HB2 GLU B 52 18.108 -7.439 -9.423 1.00 0.00 H new ATOM 0 HB3 GLU B 52 19.060 -5.970 -9.487 1.00 0.00 H new ATOM 0 HG2 GLU B 52 18.682 -5.735 -6.978 1.00 0.00 H new ATOM 0 HG3 GLU B 52 17.969 -7.336 -7.006 1.00 0.00 H new ATOM 2099 N SER B 53 15.474 -6.185 -7.228 1.00 0.00 N ATOM 2100 CA SER B 53 14.434 -6.939 -6.544 1.00 0.00 C ATOM 2101 C SER B 53 13.127 -6.153 -6.485 1.00 0.00 C ATOM 2102 O SER B 53 12.109 -6.661 -6.009 1.00 0.00 O ATOM 2103 CB SER B 53 14.891 -7.288 -5.125 1.00 0.00 C ATOM 2104 OG SER B 53 16.133 -7.973 -5.142 1.00 0.00 O ATOM 0 H SER B 53 15.916 -5.463 -6.659 1.00 0.00 H new ATOM 0 HA SER B 53 14.256 -7.855 -7.108 1.00 0.00 H new ATOM 0 HB2 SER B 53 14.983 -6.376 -4.535 1.00 0.00 H new ATOM 0 HB3 SER B 53 14.137 -7.907 -4.639 1.00 0.00 H new ATOM 0 HG SER B 53 16.403 -8.183 -4.224 1.00 0.00 H new ATOM 2110 N ARG B 54 13.154 -4.919 -6.977 1.00 0.00 N ATOM 2111 CA ARG B 54 11.982 -4.052 -6.919 1.00 0.00 C ATOM 2112 C ARG B 54 10.856 -4.595 -7.793 1.00 0.00 C ATOM 2113 O ARG B 54 9.683 -4.454 -7.458 1.00 0.00 O ATOM 2114 CB ARG B 54 12.351 -2.612 -7.298 1.00 0.00 C ATOM 2115 CG ARG B 54 13.253 -1.954 -6.265 1.00 0.00 C ATOM 2116 CD ARG B 54 13.668 -0.541 -6.645 1.00 0.00 C ATOM 2117 NE ARG B 54 14.717 -0.050 -5.748 1.00 0.00 N ATOM 2118 CZ ARG B 54 15.567 0.936 -6.044 1.00 0.00 C ATOM 2119 NH1 ARG B 54 15.398 1.667 -7.137 1.00 0.00 N ATOM 2120 NH2 ARG B 54 16.557 1.221 -5.204 1.00 0.00 N ATOM 0 H ARG B 54 13.971 -4.498 -7.419 1.00 0.00 H new ATOM 0 HA ARG B 54 11.617 -4.038 -5.892 1.00 0.00 H new ATOM 0 HB2 ARG B 54 12.851 -2.611 -8.267 1.00 0.00 H new ATOM 0 HB3 ARG B 54 11.440 -2.023 -7.409 1.00 0.00 H new ATOM 0 HG2 ARG B 54 12.737 -1.928 -5.305 1.00 0.00 H new ATOM 0 HG3 ARG B 54 14.146 -2.564 -6.131 1.00 0.00 H new ATOM 0 HD2 ARG B 54 14.027 -0.526 -7.674 1.00 0.00 H new ATOM 0 HD3 ARG B 54 12.804 0.122 -6.599 1.00 0.00 H new ATOM 0 HE ARG B 54 14.804 -0.493 -4.833 1.00 0.00 H new ATOM 0 HH11 ARG B 54 14.613 1.478 -7.760 1.00 0.00 H new ATOM 0 HH12 ARG B 54 16.053 2.418 -7.354 1.00 0.00 H new ATOM 0 HH21 ARG B 54 16.663 0.688 -4.341 1.00 0.00 H new ATOM 0 HH22 ARG B 54 17.211 1.973 -5.423 1.00 0.00 H new ATOM 2134 N GLN B 55 11.217 -5.240 -8.899 1.00 0.00 N ATOM 2135 CA GLN B 55 10.238 -5.929 -9.735 1.00 0.00 C ATOM 2136 C GLN B 55 9.626 -7.102 -8.976 1.00 0.00 C ATOM 2137 O GLN B 55 8.415 -7.323 -9.019 1.00 0.00 O ATOM 2138 CB GLN B 55 10.878 -6.444 -11.032 1.00 0.00 C ATOM 2139 CG GLN B 55 11.123 -5.374 -12.086 1.00 0.00 C ATOM 2140 CD GLN B 55 12.182 -4.367 -11.685 1.00 0.00 C ATOM 2141 OE1 GLN B 55 13.104 -4.678 -10.933 1.00 0.00 O ATOM 2142 NE2 GLN B 55 12.069 -3.157 -12.211 1.00 0.00 N ATOM 0 H GLN B 55 12.178 -5.300 -9.237 1.00 0.00 H new ATOM 0 HA GLN B 55 9.459 -5.211 -9.991 1.00 0.00 H new ATOM 0 HB2 GLN B 55 11.828 -6.920 -10.789 1.00 0.00 H new ATOM 0 HB3 GLN B 55 10.235 -7.214 -11.458 1.00 0.00 H new ATOM 0 HG2 GLN B 55 11.423 -5.854 -13.018 1.00 0.00 H new ATOM 0 HG3 GLN B 55 10.189 -4.849 -12.284 1.00 0.00 H new ATOM 0 HE21 GLN B 55 11.288 -2.941 -12.830 1.00 0.00 H new ATOM 0 HE22 GLN B 55 12.763 -2.441 -11.997 1.00 0.00 H new ATOM 2151 N ALA B 56 10.476 -7.837 -8.268 1.00 0.00 N ATOM 2152 CA ALA B 56 10.053 -9.026 -7.541 1.00 0.00 C ATOM 2153 C ALA B 56 9.030 -8.684 -6.464 1.00 0.00 C ATOM 2154 O ALA B 56 7.946 -9.267 -6.415 1.00 0.00 O ATOM 2155 CB ALA B 56 11.258 -9.716 -6.921 1.00 0.00 C ATOM 0 H ALA B 56 11.470 -7.627 -8.182 1.00 0.00 H new ATOM 0 HA ALA B 56 9.578 -9.703 -8.251 1.00 0.00 H new ATOM 0 HB1 ALA B 56 10.930 -10.604 -6.380 1.00 0.00 H new ATOM 0 HB2 ALA B 56 11.955 -10.007 -7.707 1.00 0.00 H new ATOM 0 HB3 ALA B 56 11.753 -9.033 -6.231 1.00 0.00 H new ATOM 2161 N VAL B 57 9.372 -7.727 -5.611 1.00 0.00 N ATOM 2162 CA VAL B 57 8.502 -7.345 -4.505 1.00 0.00 C ATOM 2163 C VAL B 57 7.242 -6.668 -5.002 1.00 0.00 C ATOM 2164 O VAL B 57 6.207 -6.714 -4.347 1.00 0.00 O ATOM 2165 CB VAL B 57 9.214 -6.419 -3.507 1.00 0.00 C ATOM 2166 CG1 VAL B 57 10.412 -7.127 -2.932 1.00 0.00 C ATOM 2167 CG2 VAL B 57 9.632 -5.112 -4.164 1.00 0.00 C ATOM 0 H VAL B 57 10.245 -7.201 -5.663 1.00 0.00 H new ATOM 0 HA VAL B 57 8.235 -8.269 -3.992 1.00 0.00 H new ATOM 0 HB VAL B 57 8.518 -6.174 -2.705 1.00 0.00 H new ATOM 0 HG11 VAL B 57 10.917 -6.470 -2.224 1.00 0.00 H new ATOM 0 HG12 VAL B 57 10.088 -8.033 -2.419 1.00 0.00 H new ATOM 0 HG13 VAL B 57 11.099 -7.391 -3.736 1.00 0.00 H new ATOM 0 HG21 VAL B 57 10.133 -4.480 -3.431 1.00 0.00 H new ATOM 0 HG22 VAL B 57 10.314 -5.321 -4.989 1.00 0.00 H new ATOM 0 HG23 VAL B 57 8.750 -4.597 -4.544 1.00 0.00 H new ATOM 2177 N ALA B 58 7.335 -6.047 -6.162 1.00 0.00 N ATOM 2178 CA ALA B 58 6.189 -5.412 -6.774 1.00 0.00 C ATOM 2179 C ALA B 58 5.147 -6.456 -7.155 1.00 0.00 C ATOM 2180 O ALA B 58 3.952 -6.272 -6.922 1.00 0.00 O ATOM 2181 CB ALA B 58 6.634 -4.614 -7.982 1.00 0.00 C ATOM 0 H ALA B 58 8.198 -5.970 -6.700 1.00 0.00 H new ATOM 0 HA ALA B 58 5.729 -4.729 -6.060 1.00 0.00 H new ATOM 0 HB1 ALA B 58 5.769 -4.136 -8.442 1.00 0.00 H new ATOM 0 HB2 ALA B 58 7.347 -3.851 -7.671 1.00 0.00 H new ATOM 0 HB3 ALA B 58 7.107 -5.280 -8.704 1.00 0.00 H new ATOM 2187 N GLU B 59 5.615 -7.569 -7.713 1.00 0.00 N ATOM 2188 CA GLU B 59 4.732 -8.666 -8.080 1.00 0.00 C ATOM 2189 C GLU B 59 4.216 -9.381 -6.839 1.00 0.00 C ATOM 2190 O GLU B 59 3.064 -9.800 -6.794 1.00 0.00 O ATOM 2191 CB GLU B 59 5.450 -9.670 -8.982 1.00 0.00 C ATOM 2192 CG GLU B 59 5.956 -9.079 -10.284 1.00 0.00 C ATOM 2193 CD GLU B 59 6.538 -10.132 -11.199 1.00 0.00 C ATOM 2194 OE1 GLU B 59 7.631 -10.652 -10.895 1.00 0.00 O ATOM 2195 OE2 GLU B 59 5.895 -10.460 -12.217 1.00 0.00 O ATOM 0 H GLU B 59 6.600 -7.733 -7.920 1.00 0.00 H new ATOM 0 HA GLU B 59 3.890 -8.240 -8.625 1.00 0.00 H new ATOM 0 HB2 GLU B 59 6.292 -10.095 -8.436 1.00 0.00 H new ATOM 0 HB3 GLU B 59 4.770 -10.491 -9.208 1.00 0.00 H new ATOM 0 HG2 GLU B 59 5.137 -8.570 -10.793 1.00 0.00 H new ATOM 0 HG3 GLU B 59 6.715 -8.327 -10.069 1.00 0.00 H new ATOM 2202 N GLN B 60 5.071 -9.522 -5.833 1.00 0.00 N ATOM 2203 CA GLN B 60 4.692 -10.193 -4.592 1.00 0.00 C ATOM 2204 C GLN B 60 3.704 -9.351 -3.792 1.00 0.00 C ATOM 2205 O GLN B 60 2.741 -9.879 -3.237 1.00 0.00 O ATOM 2206 CB GLN B 60 5.926 -10.504 -3.745 1.00 0.00 C ATOM 2207 CG GLN B 60 6.855 -11.529 -4.377 1.00 0.00 C ATOM 2208 CD GLN B 60 8.051 -11.846 -3.503 1.00 0.00 C ATOM 2209 OE1 GLN B 60 8.526 -11.000 -2.744 1.00 0.00 O ATOM 2210 NE2 GLN B 60 8.544 -13.071 -3.595 1.00 0.00 N ATOM 0 H GLN B 60 6.032 -9.181 -5.851 1.00 0.00 H new ATOM 0 HA GLN B 60 4.206 -11.131 -4.858 1.00 0.00 H new ATOM 0 HB2 GLN B 60 6.480 -9.581 -3.573 1.00 0.00 H new ATOM 0 HB3 GLN B 60 5.604 -10.870 -2.770 1.00 0.00 H new ATOM 0 HG2 GLN B 60 6.299 -12.446 -4.573 1.00 0.00 H new ATOM 0 HG3 GLN B 60 7.202 -11.155 -5.340 1.00 0.00 H new ATOM 0 HE21 GLN B 60 8.123 -13.744 -4.236 1.00 0.00 H new ATOM 0 HE22 GLN B 60 9.345 -13.342 -3.025 1.00 0.00 H new ATOM 2219 N PHE B 61 3.946 -8.047 -3.724 1.00 0.00 N ATOM 2220 CA PHE B 61 3.004 -7.136 -3.082 1.00 0.00 C ATOM 2221 C PHE B 61 1.659 -7.191 -3.798 1.00 0.00 C ATOM 2222 O PHE B 61 0.612 -7.310 -3.160 1.00 0.00 O ATOM 2223 CB PHE B 61 3.539 -5.700 -3.079 1.00 0.00 C ATOM 2224 CG PHE B 61 2.687 -4.742 -2.293 1.00 0.00 C ATOM 2225 CD1 PHE B 61 2.892 -4.573 -0.934 1.00 0.00 C ATOM 2226 CD2 PHE B 61 1.679 -4.016 -2.909 1.00 0.00 C ATOM 2227 CE1 PHE B 61 2.113 -3.697 -0.206 1.00 0.00 C ATOM 2228 CE2 PHE B 61 0.896 -3.137 -2.185 1.00 0.00 C ATOM 2229 CZ PHE B 61 1.113 -2.978 -0.832 1.00 0.00 C ATOM 0 H PHE B 61 4.780 -7.598 -4.102 1.00 0.00 H new ATOM 0 HA PHE B 61 2.876 -7.452 -2.047 1.00 0.00 H new ATOM 0 HB2 PHE B 61 4.548 -5.698 -2.667 1.00 0.00 H new ATOM 0 HB3 PHE B 61 3.614 -5.347 -4.107 1.00 0.00 H new ATOM 0 HD1 PHE B 61 3.671 -5.133 -0.438 1.00 0.00 H new ATOM 0 HD2 PHE B 61 1.504 -4.139 -3.968 1.00 0.00 H new ATOM 0 HE1 PHE B 61 2.285 -3.573 0.853 1.00 0.00 H new ATOM 0 HE2 PHE B 61 0.116 -2.576 -2.677 1.00 0.00 H new ATOM 0 HZ PHE B 61 0.502 -2.293 -0.263 1.00 0.00 H new ATOM 2239 N ALA B 62 1.697 -7.117 -5.126 1.00 0.00 N ATOM 2240 CA ALA B 62 0.491 -7.232 -5.937 1.00 0.00 C ATOM 2241 C ALA B 62 -0.174 -8.581 -5.706 1.00 0.00 C ATOM 2242 O ALA B 62 -1.397 -8.681 -5.647 1.00 0.00 O ATOM 2243 CB ALA B 62 0.821 -7.052 -7.409 1.00 0.00 C ATOM 0 H ALA B 62 2.553 -6.978 -5.663 1.00 0.00 H new ATOM 0 HA ALA B 62 -0.202 -6.445 -5.639 1.00 0.00 H new ATOM 0 HB1 ALA B 62 -0.091 -7.141 -8.000 1.00 0.00 H new ATOM 0 HB2 ALA B 62 1.260 -6.067 -7.566 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.531 -7.819 -7.719 1.00 0.00 H new ATOM 2249 N LYS B 63 0.652 -9.612 -5.578 1.00 0.00 N ATOM 2250 CA LYS B 63 0.185 -10.956 -5.275 1.00 0.00 C ATOM 2251 C LYS B 63 -0.629 -10.958 -3.987 1.00 0.00 C ATOM 2252 O LYS B 63 -1.789 -11.370 -3.980 1.00 0.00 O ATOM 2253 CB LYS B 63 1.382 -11.901 -5.137 1.00 0.00 C ATOM 2254 CG LYS B 63 1.009 -13.338 -4.813 1.00 0.00 C ATOM 2255 CD LYS B 63 0.292 -14.004 -5.974 1.00 0.00 C ATOM 2256 CE LYS B 63 1.184 -14.092 -7.201 1.00 0.00 C ATOM 2257 NZ LYS B 63 0.575 -14.920 -8.271 1.00 0.00 N ATOM 0 H LYS B 63 1.664 -9.538 -5.682 1.00 0.00 H new ATOM 0 HA LYS B 63 -0.452 -11.298 -6.090 1.00 0.00 H new ATOM 0 HB2 LYS B 63 1.951 -11.886 -6.067 1.00 0.00 H new ATOM 0 HB3 LYS B 63 2.040 -11.523 -4.354 1.00 0.00 H new ATOM 0 HG2 LYS B 63 1.909 -13.902 -4.569 1.00 0.00 H new ATOM 0 HG3 LYS B 63 0.370 -13.359 -3.930 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -0.026 -15.005 -5.681 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -0.609 -13.442 -6.217 1.00 0.00 H new ATOM 0 HE2 LYS B 63 1.376 -13.089 -7.583 1.00 0.00 H new ATOM 0 HE3 LYS B 63 2.148 -14.515 -6.919 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 1.215 -14.955 -9.090 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 0.415 -15.884 -7.915 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -0.333 -14.502 -8.559 1.00 0.00 H new ATOM 2271 N ALA B 64 -0.013 -10.478 -2.910 1.00 0.00 N ATOM 2272 CA ALA B 64 -0.658 -10.427 -1.605 1.00 0.00 C ATOM 2273 C ALA B 64 -1.922 -9.578 -1.652 1.00 0.00 C ATOM 2274 O ALA B 64 -2.958 -9.957 -1.105 1.00 0.00 O ATOM 2275 CB ALA B 64 0.306 -9.879 -0.561 1.00 0.00 C ATOM 0 H ALA B 64 0.941 -10.116 -2.918 1.00 0.00 H new ATOM 0 HA ALA B 64 -0.941 -11.442 -1.327 1.00 0.00 H new ATOM 0 HB1 ALA B 64 -0.189 -9.846 0.410 1.00 0.00 H new ATOM 0 HB2 ALA B 64 1.182 -10.525 -0.500 1.00 0.00 H new ATOM 0 HB3 ALA B 64 0.616 -8.873 -0.844 1.00 0.00 H new ATOM 2281 N LEU B 65 -1.832 -8.440 -2.323 1.00 0.00 N ATOM 2282 CA LEU B 65 -2.951 -7.516 -2.437 1.00 0.00 C ATOM 2283 C LEU B 65 -4.121 -8.184 -3.165 1.00 0.00 C ATOM 2284 O LEU B 65 -5.255 -8.197 -2.673 1.00 0.00 O ATOM 2285 CB LEU B 65 -2.503 -6.259 -3.192 1.00 0.00 C ATOM 2286 CG LEU B 65 -3.177 -4.954 -2.768 1.00 0.00 C ATOM 2287 CD1 LEU B 65 -2.774 -4.584 -1.347 1.00 0.00 C ATOM 2288 CD2 LEU B 65 -2.814 -3.833 -3.731 1.00 0.00 C ATOM 0 H LEU B 65 -0.986 -8.132 -2.802 1.00 0.00 H new ATOM 0 HA LEU B 65 -3.284 -7.234 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -1.426 -6.147 -3.067 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.686 -6.412 -4.256 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.257 -5.098 -2.794 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -3.263 -3.653 -1.061 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -3.078 -5.378 -0.664 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -1.693 -4.457 -1.297 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -3.301 -2.910 -3.416 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -1.733 -3.690 -3.732 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.147 -4.094 -4.736 1.00 0.00 H new ATOM 2300 N ALA B 66 -3.828 -8.769 -4.320 1.00 0.00 N ATOM 2301 CA ALA B 66 -4.849 -9.385 -5.157 1.00 0.00 C ATOM 2302 C ALA B 66 -5.462 -10.612 -4.492 1.00 0.00 C ATOM 2303 O ALA B 66 -6.679 -10.808 -4.549 1.00 0.00 O ATOM 2304 CB ALA B 66 -4.268 -9.755 -6.512 1.00 0.00 C ATOM 0 H ALA B 66 -2.883 -8.830 -4.700 1.00 0.00 H new ATOM 0 HA ALA B 66 -5.645 -8.654 -5.297 1.00 0.00 H new ATOM 0 HB1 ALA B 66 -5.042 -10.214 -7.127 1.00 0.00 H new ATOM 0 HB2 ALA B 66 -3.897 -8.857 -7.006 1.00 0.00 H new ATOM 0 HB3 ALA B 66 -3.447 -10.459 -6.376 1.00 0.00 H new ATOM 2310 N GLN B 67 -4.630 -11.434 -3.857 1.00 0.00 N ATOM 2311 CA GLN B 67 -5.113 -12.666 -3.242 1.00 0.00 C ATOM 2312 C GLN B 67 -5.961 -12.359 -2.010 1.00 0.00 C ATOM 2313 O GLN B 67 -6.781 -13.174 -1.599 1.00 0.00 O ATOM 2314 CB GLN B 67 -3.956 -13.602 -2.872 1.00 0.00 C ATOM 2315 CG GLN B 67 -3.071 -13.085 -1.750 1.00 0.00 C ATOM 2316 CD GLN B 67 -1.963 -14.053 -1.378 1.00 0.00 C ATOM 2317 OE1 GLN B 67 -1.479 -14.819 -2.215 1.00 0.00 O ATOM 2318 NE2 GLN B 67 -1.552 -14.021 -0.120 1.00 0.00 N ATOM 0 H GLN B 67 -3.628 -11.271 -3.756 1.00 0.00 H new ATOM 0 HA GLN B 67 -5.735 -13.176 -3.977 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -4.365 -14.569 -2.581 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -3.342 -13.769 -3.757 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -2.630 -12.134 -2.050 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -3.685 -12.888 -0.871 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -1.980 -13.372 0.540 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -0.807 -14.646 0.189 1.00 0.00 H new ATOM 2327 N SER B 68 -5.768 -11.181 -1.428 1.00 0.00 N ATOM 2328 CA SER B 68 -6.574 -10.759 -0.291 1.00 0.00 C ATOM 2329 C SER B 68 -7.976 -10.370 -0.754 1.00 0.00 C ATOM 2330 O SER B 68 -8.973 -10.748 -0.140 1.00 0.00 O ATOM 2331 CB SER B 68 -5.907 -9.593 0.439 1.00 0.00 C ATOM 2332 OG SER B 68 -4.638 -9.974 0.945 1.00 0.00 O ATOM 0 H SER B 68 -5.064 -10.505 -1.724 1.00 0.00 H new ATOM 0 HA SER B 68 -6.656 -11.594 0.405 1.00 0.00 H new ATOM 0 HB2 SER B 68 -5.793 -8.749 -0.242 1.00 0.00 H new ATOM 0 HB3 SER B 68 -6.544 -9.259 1.258 1.00 0.00 H new ATOM 0 HG SER B 68 -4.015 -10.106 0.200 1.00 0.00 H new ATOM 2338 N VAL B 69 -8.049 -9.632 -1.855 1.00 0.00 N ATOM 2339 CA VAL B 69 -9.333 -9.234 -2.415 1.00 0.00 C ATOM 2340 C VAL B 69 -10.118 -10.458 -2.890 1.00 0.00 C ATOM 2341 O VAL B 69 -11.315 -10.584 -2.627 1.00 0.00 O ATOM 2342 CB VAL B 69 -9.161 -8.243 -3.588 1.00 0.00 C ATOM 2343 CG1 VAL B 69 -10.513 -7.847 -4.165 1.00 0.00 C ATOM 2344 CG2 VAL B 69 -8.390 -7.009 -3.138 1.00 0.00 C ATOM 0 H VAL B 69 -7.238 -9.299 -2.375 1.00 0.00 H new ATOM 0 HA VAL B 69 -9.889 -8.734 -1.622 1.00 0.00 H new ATOM 0 HB VAL B 69 -8.589 -8.740 -4.371 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -10.366 -7.149 -4.989 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -11.028 -8.736 -4.530 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -11.114 -7.372 -3.390 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -8.279 -6.323 -3.978 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -8.934 -6.513 -2.334 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -7.404 -7.306 -2.780 1.00 0.00 H new ATOM 2354 N LYS B 70 -9.430 -11.378 -3.558 1.00 0.00 N ATOM 2355 CA LYS B 70 -10.084 -12.551 -4.128 1.00 0.00 C ATOM 2356 C LYS B 70 -10.448 -13.589 -3.062 1.00 0.00 C ATOM 2357 O LYS B 70 -11.255 -14.478 -3.320 1.00 0.00 O ATOM 2358 CB LYS B 70 -9.206 -13.197 -5.207 1.00 0.00 C ATOM 2359 CG LYS B 70 -9.031 -12.336 -6.451 1.00 0.00 C ATOM 2360 CD LYS B 70 -8.419 -13.134 -7.594 1.00 0.00 C ATOM 2361 CE LYS B 70 -8.310 -12.307 -8.868 1.00 0.00 C ATOM 2362 NZ LYS B 70 -7.271 -11.246 -8.765 1.00 0.00 N ATOM 0 H LYS B 70 -8.424 -11.335 -3.718 1.00 0.00 H new ATOM 0 HA LYS B 70 -11.011 -12.202 -4.582 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -8.225 -13.412 -4.784 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -9.645 -14.152 -5.496 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -9.998 -11.938 -6.759 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -8.394 -11.482 -6.219 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -7.429 -13.485 -7.303 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -9.027 -14.018 -7.786 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -8.074 -12.963 -9.706 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -9.275 -11.848 -9.084 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -7.233 -10.710 -9.655 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -7.508 -10.603 -7.983 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -6.345 -11.683 -8.585 1.00 0.00 H new ATOM 2376 N SER B 71 -9.868 -13.483 -1.872 1.00 0.00 N ATOM 2377 CA SER B 71 -10.176 -14.430 -0.804 1.00 0.00 C ATOM 2378 C SER B 71 -11.339 -13.938 0.054 1.00 0.00 C ATOM 2379 O SER B 71 -12.066 -14.737 0.644 1.00 0.00 O ATOM 2380 CB SER B 71 -8.944 -14.695 0.064 1.00 0.00 C ATOM 2381 OG SER B 71 -8.367 -13.486 0.516 1.00 0.00 O ATOM 0 H SER B 71 -9.191 -12.762 -1.623 1.00 0.00 H new ATOM 0 HA SER B 71 -10.475 -15.368 -1.272 1.00 0.00 H new ATOM 0 HB2 SER B 71 -9.224 -15.309 0.920 1.00 0.00 H new ATOM 0 HB3 SER B 71 -8.208 -15.261 -0.507 1.00 0.00 H new ATOM 0 HG SER B 71 -7.904 -13.047 -0.227 1.00 0.00 H new