USER MOD reduce.3.24.130724 H: found=0, std=0, add=1102, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1104 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 460 GLN : amide:sc= 0.223 X(o=-0.18,f=-0.47) USER MOD Set 1.2: A 464 MET CE :methyl -171:sc= -0.399 (180deg=-0.454) USER MOD Set 2.1: A 439 GLN : amide:sc= -0.247 X(o=-0.37,f=-0.84) USER MOD Set 2.2: A 442 GLN :FLIP amide:sc= -0.125 F(o=-2,f=-0.37) USER MOD Set 3.1: A 79 LYS NZ :NH3+ -168:sc= 0.488 (180deg=-0.0425) USER MOD Set 3.2: A 451 ASN : amide:sc= 0.658 K(o=1.1,f=-2) USER MOD Set 4.1: A 18 SER OG : rot -24:sc= 1.2 USER MOD Set 4.2: A 74 ASN :FLIP amide:sc= 0.501 F(o=0.025,f=1.7) USER MOD Set 5.1: A 40 TYR OH : rot -20:sc= 0.517 USER MOD Set 5.2: A 71 THR OG1 : rot -160:sc= 1.03 USER MOD Set 6.1: A 2 THR OG1 : rot 180:sc= -0.0985 USER MOD Set 6.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -117:sc= 0.284 USER MOD Single : A 9 ASN : amide:sc= -0.0996 K(o=-0.1,f=-1.5) USER MOD Single : A 12 GLN : amide:sc= -0.0751 K(o=-0.075,f=-3.7!) USER MOD Single : A 19 GLN : amide:sc= -0.31 X(o=-0.31,f=0) USER MOD Single : A 20 SER OG : rot -17:sc= 0.808 USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.315 X(o=-0.32,f=-0.008) USER MOD Single : A 36 GLN : amide:sc= -0.485 K(o=-0.49,f=-1.7) USER MOD Single : A 39 SER OG : rot 2:sc= 0.277 USER MOD Single : A 42 GLN : amide:sc= -0.341 X(o=-0.34,f=0) USER MOD Single : A 43 SER OG : rot 80:sc= 1.13 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 172:sc= -0.61 (180deg=-0.708) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0.0748 X(o=0.075,f=-0.037) USER MOD Single : A 52 THR OG1 : rot 131:sc= 0.314 USER MOD Single : A 57 THR OG1 : rot 100:sc= 0.501 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 63 MET CE :methyl 169:sc= -2.5! (180deg=-2.88!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.723 F(o=-2.3,f=-0.72) USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.437 X(o=-0.44,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.0241 X(o=-0.024,f=-0.024) USER MOD Single : A 432 THR OG1 : rot 180:sc= 0 USER MOD Single : A 436 TYR OH : rot 180:sc= 0 USER MOD Single : A 437 LYS NZ :NH3+ -165:sc= -0.0574 (180deg=-0.339) USER MOD Single : A 441 THR OG1 : rot 77:sc= 0.3 USER MOD Single : A 445 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 MET CE :methyl -113:sc= 0 (180deg=-1.88!) USER MOD Single : A 447 MET CE :methyl -173:sc= -1.09 (180deg=-1.31) USER MOD Single : A 448 SER OG : rot 180:sc= 0.00492 USER MOD Single : A 449 LYS NZ :NH3+ -168:sc= 0.496 (180deg=0.42) USER MOD Single : A 452 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 453 THR OG1 : rot 173:sc= -1.44! USER MOD Single : A 454 SER OG : rot -86:sc= 1.02 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 TYR OH : rot 180:sc= -0.528 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 459 GLN :FLIP amide:sc= -0.14 F(o=-1.2,f=-0.14) USER MOD Single : A 462 THR OG1 : rot 77:sc= 0.954 USER MOD Single : A 465 ASN : amide:sc= 0.0686 K(o=0.069,f=-2.1!) USER MOD Single : A 466 LYS NZ :NH3+ -173:sc=-0.00372 (180deg=-0.0555) USER MOD Single : A 467 SER OG : rot -4:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -1.555 21.265 18.454 1.00 73.24 N ATOM 21 CA THR A 2 -2.423 20.667 17.418 1.00 14.05 C ATOM 22 C THR A 2 -1.616 19.847 16.396 1.00 11.24 C ATOM 23 O THR A 2 -1.913 18.677 16.161 1.00 13.15 O ATOM 24 CB THR A 2 -3.235 21.784 16.677 1.00 11.40 C ATOM 25 OG1 THR A 2 -2.331 22.718 16.060 1.00 53.54 O ATOM 26 CG2 THR A 2 -4.173 22.550 17.631 1.00 75.21 C ATOM 0 HA THR A 2 -3.111 19.989 17.923 1.00 14.05 H new ATOM 0 HB THR A 2 -3.848 21.291 15.922 1.00 11.40 H new ATOM 0 HG1 THR A 2 -2.844 23.413 15.597 1.00 53.54 H new ATOM 0 HG21 THR A 2 -4.715 23.314 17.073 1.00 75.21 H new ATOM 0 HG22 THR A 2 -4.883 21.855 18.078 1.00 75.21 H new ATOM 0 HG23 THR A 2 -3.585 23.024 18.417 1.00 75.21 H new ATOM 34 N SER A 3 -0.567 20.486 15.848 1.00 1.44 N ATOM 35 CA SER A 3 0.312 19.910 14.822 1.00 32.32 C ATOM 36 C SER A 3 0.977 18.610 15.325 1.00 40.43 C ATOM 37 O SER A 3 0.979 17.584 14.634 1.00 54.40 O ATOM 38 CB SER A 3 1.383 20.965 14.441 1.00 31.51 C ATOM 39 OG SER A 3 0.784 22.204 14.082 1.00 72.11 O ATOM 0 H SER A 3 -0.304 21.435 16.113 1.00 1.44 H new ATOM 0 HA SER A 3 -0.278 19.650 13.943 1.00 32.32 H new ATOM 0 HB2 SER A 3 2.062 21.117 15.280 1.00 31.51 H new ATOM 0 HB3 SER A 3 1.982 20.594 13.609 1.00 31.51 H new ATOM 0 HG SER A 3 1.483 22.850 13.849 1.00 72.11 H new ATOM 45 N THR A 4 1.483 18.670 16.563 1.00 41.54 N ATOM 46 CA THR A 4 2.246 17.582 17.173 1.00 32.31 C ATOM 47 C THR A 4 1.336 16.390 17.562 1.00 35.52 C ATOM 48 O THR A 4 1.733 15.239 17.394 1.00 1.22 O ATOM 49 CB THR A 4 3.020 18.105 18.422 1.00 41.35 C ATOM 50 OG1 THR A 4 3.709 19.328 18.088 1.00 41.45 O ATOM 51 CG2 THR A 4 4.033 17.068 18.956 1.00 45.03 C ATOM 0 H THR A 4 1.372 19.482 17.171 1.00 41.54 H new ATOM 0 HA THR A 4 2.960 17.221 16.433 1.00 32.31 H new ATOM 0 HB THR A 4 2.289 18.287 19.210 1.00 41.35 H new ATOM 0 HG1 THR A 4 4.676 19.194 18.177 1.00 41.45 H new ATOM 0 HG21 THR A 4 4.548 17.477 19.826 1.00 45.03 H new ATOM 0 HG22 THR A 4 3.506 16.158 19.241 1.00 45.03 H new ATOM 0 HG23 THR A 4 4.761 16.837 18.179 1.00 45.03 H new ATOM 59 N VAL A 5 0.103 16.667 18.046 1.00 52.34 N ATOM 60 CA VAL A 5 -0.811 15.594 18.510 1.00 61.42 C ATOM 61 C VAL A 5 -1.426 14.833 17.318 1.00 61.53 C ATOM 62 O VAL A 5 -1.510 13.606 17.352 1.00 44.02 O ATOM 63 CB VAL A 5 -1.940 16.105 19.494 1.00 63.33 C ATOM 64 CG1 VAL A 5 -2.919 17.089 18.823 1.00 22.45 C ATOM 65 CG2 VAL A 5 -2.698 14.912 20.140 1.00 2.13 C ATOM 0 H VAL A 5 -0.279 17.609 18.125 1.00 52.34 H new ATOM 0 HA VAL A 5 -0.193 14.906 19.087 1.00 61.42 H new ATOM 0 HB VAL A 5 -1.436 16.662 20.284 1.00 63.33 H new ATOM 0 HG11 VAL A 5 -3.671 17.405 19.547 1.00 22.45 H new ATOM 0 HG12 VAL A 5 -2.371 17.961 18.465 1.00 22.45 H new ATOM 0 HG13 VAL A 5 -3.409 16.598 17.982 1.00 22.45 H new ATOM 0 HG21 VAL A 5 -3.468 15.291 20.812 1.00 2.13 H new ATOM 0 HG22 VAL A 5 -3.162 14.310 19.359 1.00 2.13 H new ATOM 0 HG23 VAL A 5 -1.996 14.297 20.703 1.00 2.13 H new ATOM 75 N GLU A 6 -1.821 15.562 16.252 1.00 14.13 N ATOM 76 CA GLU A 6 -2.386 14.943 15.030 1.00 32.34 C ATOM 77 C GLU A 6 -1.307 14.114 14.309 1.00 73.14 C ATOM 78 O GLU A 6 -1.602 13.088 13.714 1.00 2.40 O ATOM 79 CB GLU A 6 -2.986 16.021 14.093 1.00 12.01 C ATOM 80 CG GLU A 6 -1.964 17.020 13.525 1.00 10.04 C ATOM 81 CD GLU A 6 -2.583 18.156 12.702 1.00 13.14 C ATOM 82 OE1 GLU A 6 -3.374 18.945 13.264 1.00 74.01 O ATOM 83 OE2 GLU A 6 -2.252 18.290 11.507 1.00 72.04 O ATOM 0 H GLU A 6 -1.760 16.579 16.212 1.00 14.13 H new ATOM 0 HA GLU A 6 -3.195 14.273 15.319 1.00 32.34 H new ATOM 0 HB2 GLU A 6 -3.487 15.523 13.263 1.00 12.01 H new ATOM 0 HB3 GLU A 6 -3.749 16.574 14.640 1.00 12.01 H new ATOM 0 HG2 GLU A 6 -1.398 17.452 14.350 1.00 10.04 H new ATOM 0 HG3 GLU A 6 -1.254 16.479 12.900 1.00 10.04 H new ATOM 90 N PHE A 7 -0.054 14.596 14.394 1.00 41.21 N ATOM 91 CA PHE A 7 1.150 13.854 13.988 1.00 62.21 C ATOM 92 C PHE A 7 1.183 12.462 14.676 1.00 30.13 C ATOM 93 O PHE A 7 1.237 11.438 13.990 1.00 53.34 O ATOM 94 CB PHE A 7 2.376 14.733 14.350 1.00 4.22 C ATOM 95 CG PHE A 7 3.764 14.109 14.250 1.00 24.41 C ATOM 96 CD1 PHE A 7 4.511 14.186 13.077 1.00 34.01 C ATOM 97 CD2 PHE A 7 4.340 13.481 15.357 1.00 31.33 C ATOM 98 CE1 PHE A 7 5.790 13.669 13.022 1.00 43.25 C ATOM 99 CE2 PHE A 7 5.614 12.962 15.288 1.00 72.02 C ATOM 100 CZ PHE A 7 6.334 13.052 14.119 1.00 31.42 C ATOM 0 H PHE A 7 0.152 15.528 14.753 1.00 41.21 H new ATOM 0 HA PHE A 7 1.158 13.657 12.916 1.00 62.21 H new ATOM 0 HB2 PHE A 7 2.358 15.611 13.705 1.00 4.22 H new ATOM 0 HB3 PHE A 7 2.242 15.086 15.373 1.00 4.22 H new ATOM 0 HD1 PHE A 7 4.086 14.655 12.202 1.00 34.01 H new ATOM 0 HD2 PHE A 7 3.780 13.402 16.277 1.00 31.33 H new ATOM 0 HE1 PHE A 7 6.364 13.751 12.111 1.00 43.25 H new ATOM 0 HE2 PHE A 7 6.049 12.483 16.153 1.00 72.02 H new ATOM 0 HZ PHE A 7 7.329 12.636 14.065 1.00 31.42 H new ATOM 110 N ILE A 8 1.068 12.461 16.026 1.00 62.43 N ATOM 111 CA ILE A 8 1.043 11.228 16.855 1.00 3.41 C ATOM 112 C ILE A 8 -0.080 10.266 16.399 1.00 40.13 C ATOM 113 O ILE A 8 0.185 9.096 16.083 1.00 70.12 O ATOM 114 CB ILE A 8 0.815 11.570 18.380 1.00 30.53 C ATOM 115 CG1 ILE A 8 1.908 12.535 18.923 1.00 71.00 C ATOM 116 CG2 ILE A 8 0.741 10.293 19.241 1.00 51.03 C ATOM 117 CD1 ILE A 8 1.649 13.077 20.322 1.00 23.41 C ATOM 0 H ILE A 8 0.990 13.318 16.574 1.00 62.43 H new ATOM 0 HA ILE A 8 2.012 10.746 16.727 1.00 3.41 H new ATOM 0 HB ILE A 8 -0.146 12.080 18.450 1.00 30.53 H new ATOM 0 HG12 ILE A 8 2.865 12.013 18.923 1.00 71.00 H new ATOM 0 HG13 ILE A 8 2.003 13.376 18.236 1.00 71.00 H new ATOM 0 HG21 ILE A 8 0.584 10.566 20.284 1.00 51.03 H new ATOM 0 HG22 ILE A 8 -0.087 9.672 18.900 1.00 51.03 H new ATOM 0 HG23 ILE A 8 1.674 9.737 19.148 1.00 51.03 H new ATOM 0 HD11 ILE A 8 2.465 13.739 20.612 1.00 23.41 H new ATOM 0 HD12 ILE A 8 0.711 13.632 20.329 1.00 23.41 H new ATOM 0 HD13 ILE A 8 1.586 12.248 21.027 1.00 23.41 H new ATOM 129 N ASN A 9 -1.328 10.795 16.373 1.00 62.13 N ATOM 130 CA ASN A 9 -2.536 10.010 16.046 1.00 51.05 C ATOM 131 C ASN A 9 -2.422 9.343 14.670 1.00 63.13 C ATOM 132 O ASN A 9 -2.644 8.141 14.553 1.00 71.12 O ATOM 133 CB ASN A 9 -3.830 10.876 16.093 1.00 3.34 C ATOM 134 CG ASN A 9 -4.280 11.235 17.512 1.00 72.12 C ATOM 135 OD1 ASN A 9 -4.965 10.451 18.172 1.00 14.50 O ATOM 136 ND2 ASN A 9 -3.950 12.427 17.980 1.00 73.24 N ATOM 0 H ASN A 9 -1.521 11.775 16.578 1.00 62.13 H new ATOM 0 HA ASN A 9 -2.609 9.237 16.811 1.00 51.05 H new ATOM 0 HB2 ASN A 9 -3.662 11.795 15.531 1.00 3.34 H new ATOM 0 HB3 ASN A 9 -4.635 10.338 15.591 1.00 3.34 H new ATOM 0 HD21 ASN A 9 -4.263 12.716 18.907 1.00 73.24 H new ATOM 0 HD22 ASN A 9 -3.382 13.058 17.414 1.00 73.24 H new ATOM 143 N ARG A 10 -2.039 10.135 13.652 1.00 3.34 N ATOM 144 CA ARG A 10 -1.993 9.669 12.254 1.00 33.32 C ATOM 145 C ARG A 10 -0.925 8.583 12.052 1.00 22.34 C ATOM 146 O ARG A 10 -1.199 7.593 11.390 1.00 1.31 O ATOM 147 CB ARG A 10 -1.765 10.843 11.271 1.00 30.23 C ATOM 148 CG ARG A 10 -2.917 11.867 11.214 1.00 1.15 C ATOM 149 CD ARG A 10 -2.623 13.047 10.275 1.00 21.12 C ATOM 150 NE ARG A 10 -1.405 13.788 10.658 1.00 15.44 N ATOM 151 CZ ARG A 10 -1.221 15.111 10.497 1.00 52.13 C ATOM 152 NH1 ARG A 10 -2.163 15.878 9.951 1.00 22.51 N ATOM 153 NH2 ARG A 10 -0.081 15.663 10.893 1.00 2.43 N ATOM 0 H ARG A 10 -1.755 11.107 13.773 1.00 3.34 H new ATOM 0 HA ARG A 10 -2.966 9.228 12.036 1.00 33.32 H new ATOM 0 HB2 ARG A 10 -0.849 11.362 11.552 1.00 30.23 H new ATOM 0 HB3 ARG A 10 -1.608 10.437 10.272 1.00 30.23 H new ATOM 0 HG2 ARG A 10 -3.827 11.365 10.884 1.00 1.15 H new ATOM 0 HG3 ARG A 10 -3.109 12.247 12.218 1.00 1.15 H new ATOM 0 HD2 ARG A 10 -2.513 12.677 9.256 1.00 21.12 H new ATOM 0 HD3 ARG A 10 -3.474 13.728 10.276 1.00 21.12 H new ATOM 0 HE ARG A 10 -0.643 13.255 11.078 1.00 15.44 H new ATOM 0 HH11 ARG A 10 -3.044 15.464 9.646 1.00 22.51 H new ATOM 0 HH12 ARG A 10 -2.003 16.879 9.838 1.00 22.51 H new ATOM 0 HH21 ARG A 10 0.646 15.085 11.315 1.00 2.43 H new ATOM 0 HH22 ARG A 10 0.068 16.665 10.775 1.00 2.43 H new ATOM 167 N TRP A 11 0.276 8.759 12.644 1.00 52.43 N ATOM 168 CA TRP A 11 1.342 7.729 12.571 1.00 64.15 C ATOM 169 C TRP A 11 0.905 6.427 13.267 1.00 52.42 C ATOM 170 O TRP A 11 1.221 5.327 12.786 1.00 53.03 O ATOM 171 CB TRP A 11 2.682 8.232 13.167 1.00 20.10 C ATOM 172 CG TRP A 11 3.427 9.226 12.298 1.00 42.55 C ATOM 173 CD1 TRP A 11 3.721 10.524 12.591 1.00 12.14 C ATOM 174 CD2 TRP A 11 3.985 8.988 10.994 1.00 52.34 C ATOM 175 NE1 TRP A 11 4.416 11.100 11.567 1.00 3.54 N ATOM 176 CE2 TRP A 11 4.597 10.186 10.579 1.00 15.03 C ATOM 177 CE3 TRP A 11 4.032 7.886 10.138 1.00 3.41 C ATOM 178 CZ2 TRP A 11 5.243 10.317 9.359 1.00 32.35 C ATOM 179 CZ3 TRP A 11 4.674 8.015 8.923 1.00 50.45 C ATOM 180 CH2 TRP A 11 5.276 9.225 8.545 1.00 43.25 C ATOM 0 H TRP A 11 0.533 9.593 13.172 1.00 52.43 H new ATOM 0 HA TRP A 11 1.507 7.523 11.513 1.00 64.15 H new ATOM 0 HB2 TRP A 11 2.484 8.693 14.135 1.00 20.10 H new ATOM 0 HB3 TRP A 11 3.328 7.373 13.349 1.00 20.10 H new ATOM 0 HD1 TRP A 11 3.443 11.027 13.506 1.00 12.14 H new ATOM 0 HE1 TRP A 11 4.747 12.065 11.547 1.00 3.54 H new ATOM 0 HE3 TRP A 11 3.574 6.950 10.421 1.00 3.41 H new ATOM 0 HZ2 TRP A 11 5.702 11.249 9.065 1.00 32.35 H new ATOM 0 HZ3 TRP A 11 4.714 7.170 8.252 1.00 50.45 H new ATOM 0 HH2 TRP A 11 5.775 9.292 7.590 1.00 43.25 H new ATOM 191 N GLN A 12 0.163 6.565 14.389 1.00 54.04 N ATOM 192 CA GLN A 12 -0.443 5.418 15.085 1.00 11.25 C ATOM 193 C GLN A 12 -1.414 4.685 14.143 1.00 65.02 C ATOM 194 O GLN A 12 -1.386 3.457 14.069 1.00 21.44 O ATOM 195 CB GLN A 12 -1.186 5.857 16.376 1.00 30.33 C ATOM 196 CG GLN A 12 -1.719 4.677 17.225 1.00 55.22 C ATOM 197 CD GLN A 12 -2.634 5.093 18.384 1.00 31.14 C ATOM 198 OE1 GLN A 12 -3.354 6.082 18.299 1.00 3.52 O ATOM 199 NE2 GLN A 12 -2.631 4.334 19.462 1.00 22.40 N ATOM 0 H GLN A 12 -0.028 7.465 14.829 1.00 54.04 H new ATOM 0 HA GLN A 12 0.361 4.743 15.377 1.00 11.25 H new ATOM 0 HB2 GLN A 12 -0.510 6.455 16.987 1.00 30.33 H new ATOM 0 HB3 GLN A 12 -2.022 6.501 16.101 1.00 30.33 H new ATOM 0 HG2 GLN A 12 -2.265 3.994 16.574 1.00 55.22 H new ATOM 0 HG3 GLN A 12 -0.871 4.123 17.628 1.00 55.22 H new ATOM 0 HE21 GLN A 12 -2.023 3.516 19.508 1.00 22.40 H new ATOM 0 HE22 GLN A 12 -3.237 4.564 20.250 1.00 22.40 H new ATOM 208 N ARG A 13 -2.239 5.464 13.391 1.00 23.11 N ATOM 209 CA ARG A 13 -3.199 4.901 12.419 1.00 13.13 C ATOM 210 C ARG A 13 -2.441 4.071 11.369 1.00 44.51 C ATOM 211 O ARG A 13 -2.725 2.904 11.194 1.00 25.45 O ATOM 212 CB ARG A 13 -4.037 5.994 11.681 1.00 33.14 C ATOM 213 CG ARG A 13 -4.765 7.022 12.572 1.00 65.14 C ATOM 214 CD ARG A 13 -5.667 6.390 13.640 1.00 43.15 C ATOM 215 NE ARG A 13 -6.264 7.408 14.527 1.00 21.23 N ATOM 216 CZ ARG A 13 -6.072 7.488 15.853 1.00 22.14 C ATOM 217 NH1 ARG A 13 -5.293 6.613 16.482 1.00 64.41 N ATOM 218 NH2 ARG A 13 -6.658 8.449 16.547 1.00 53.44 N ATOM 0 H ARG A 13 -2.253 6.483 13.444 1.00 23.11 H new ATOM 0 HA ARG A 13 -3.893 4.282 12.988 1.00 13.13 H new ATOM 0 HB2 ARG A 13 -3.373 6.536 11.008 1.00 33.14 H new ATOM 0 HB3 ARG A 13 -4.780 5.493 11.061 1.00 33.14 H new ATOM 0 HG2 ARG A 13 -4.024 7.652 13.063 1.00 65.14 H new ATOM 0 HG3 ARG A 13 -5.368 7.673 11.940 1.00 65.14 H new ATOM 0 HD2 ARG A 13 -6.460 5.821 13.155 1.00 43.15 H new ATOM 0 HD3 ARG A 13 -5.086 5.685 14.235 1.00 43.15 H new ATOM 0 HE ARG A 13 -6.871 8.106 14.098 1.00 21.23 H new ATOM 0 HH11 ARG A 13 -4.833 5.870 15.956 1.00 64.41 H new ATOM 0 HH12 ARG A 13 -5.155 6.685 17.490 1.00 64.41 H new ATOM 0 HH21 ARG A 13 -7.255 9.128 16.075 1.00 53.44 H new ATOM 0 HH22 ARG A 13 -6.513 8.511 17.555 1.00 53.44 H new ATOM 232 N ILE A 14 -1.420 4.703 10.749 1.00 20.00 N ATOM 233 CA ILE A 14 -0.617 4.115 9.651 1.00 64.25 C ATOM 234 C ILE A 14 -0.006 2.755 10.067 1.00 31.12 C ATOM 235 O ILE A 14 -0.003 1.810 9.284 1.00 10.55 O ATOM 236 CB ILE A 14 0.524 5.122 9.201 1.00 41.10 C ATOM 237 CG1 ILE A 14 -0.084 6.473 8.710 1.00 51.54 C ATOM 238 CG2 ILE A 14 1.425 4.519 8.104 1.00 50.52 C ATOM 239 CD1 ILE A 14 0.925 7.582 8.436 1.00 53.54 C ATOM 0 H ILE A 14 -1.126 5.647 10.999 1.00 20.00 H new ATOM 0 HA ILE A 14 -1.282 3.937 8.806 1.00 64.25 H new ATOM 0 HB ILE A 14 1.143 5.311 10.078 1.00 41.10 H new ATOM 0 HG12 ILE A 14 -0.651 6.287 7.798 1.00 51.54 H new ATOM 0 HG13 ILE A 14 -0.793 6.827 9.459 1.00 51.54 H new ATOM 0 HG21 ILE A 14 2.192 5.241 7.825 1.00 50.52 H new ATOM 0 HG22 ILE A 14 1.899 3.613 8.480 1.00 50.52 H new ATOM 0 HG23 ILE A 14 0.821 4.276 7.230 1.00 50.52 H new ATOM 0 HD11 ILE A 14 0.400 8.477 8.100 1.00 53.54 H new ATOM 0 HD12 ILE A 14 1.477 7.806 9.349 1.00 53.54 H new ATOM 0 HD13 ILE A 14 1.621 7.258 7.662 1.00 53.54 H new ATOM 251 N ALA A 15 0.451 2.670 11.328 1.00 13.34 N ATOM 252 CA ALA A 15 1.072 1.450 11.889 1.00 50.02 C ATOM 253 C ALA A 15 0.041 0.317 12.122 1.00 30.42 C ATOM 254 O ALA A 15 0.290 -0.855 11.774 1.00 22.01 O ATOM 255 CB ALA A 15 1.779 1.800 13.197 1.00 22.30 C ATOM 0 H ALA A 15 0.402 3.444 11.990 1.00 13.34 H new ATOM 0 HA ALA A 15 1.793 1.076 11.162 1.00 50.02 H new ATOM 0 HB1 ALA A 15 2.238 0.903 13.614 1.00 22.30 H new ATOM 0 HB2 ALA A 15 2.550 2.547 13.006 1.00 22.30 H new ATOM 0 HB3 ALA A 15 1.055 2.200 13.906 1.00 22.30 H new ATOM 261 N LEU A 16 -1.114 0.681 12.716 1.00 71.21 N ATOM 262 CA LEU A 16 -2.205 -0.273 13.026 1.00 1.35 C ATOM 263 C LEU A 16 -2.846 -0.802 11.725 1.00 41.43 C ATOM 264 O LEU A 16 -3.169 -1.996 11.606 1.00 52.53 O ATOM 265 CB LEU A 16 -3.282 0.414 13.922 1.00 70.45 C ATOM 266 CG LEU A 16 -2.793 0.933 15.317 1.00 13.24 C ATOM 267 CD1 LEU A 16 -3.906 1.720 16.049 1.00 33.22 C ATOM 268 CD2 LEU A 16 -2.247 -0.215 16.192 1.00 62.32 C ATOM 0 H LEU A 16 -1.319 1.641 12.994 1.00 71.21 H new ATOM 0 HA LEU A 16 -1.784 -1.118 13.571 1.00 1.35 H new ATOM 0 HB2 LEU A 16 -3.700 1.256 13.370 1.00 70.45 H new ATOM 0 HB3 LEU A 16 -4.094 -0.294 14.086 1.00 70.45 H new ATOM 0 HG LEU A 16 -1.968 1.622 15.135 1.00 13.24 H new ATOM 0 HD11 LEU A 16 -3.533 2.066 17.013 1.00 33.22 H new ATOM 0 HD12 LEU A 16 -4.202 2.578 15.446 1.00 33.22 H new ATOM 0 HD13 LEU A 16 -4.768 1.071 16.205 1.00 33.22 H new ATOM 0 HD21 LEU A 16 -1.917 0.184 17.151 1.00 62.32 H new ATOM 0 HD22 LEU A 16 -3.033 -0.953 16.356 1.00 62.32 H new ATOM 0 HD23 LEU A 16 -1.405 -0.688 15.687 1.00 62.32 H new ATOM 280 N LEU A 17 -2.985 0.110 10.740 1.00 21.55 N ATOM 281 CA LEU A 17 -3.577 -0.192 9.434 1.00 45.21 C ATOM 282 C LEU A 17 -2.635 -1.101 8.641 1.00 63.20 C ATOM 283 O LEU A 17 -3.063 -2.147 8.179 1.00 75.24 O ATOM 284 CB LEU A 17 -3.904 1.111 8.637 1.00 53.13 C ATOM 285 CG LEU A 17 -4.973 2.057 9.281 1.00 14.11 C ATOM 286 CD1 LEU A 17 -5.178 3.336 8.436 1.00 53.40 C ATOM 287 CD2 LEU A 17 -6.299 1.314 9.531 1.00 75.44 C ATOM 0 H LEU A 17 -2.686 1.080 10.836 1.00 21.55 H new ATOM 0 HA LEU A 17 -4.521 -0.712 9.594 1.00 45.21 H new ATOM 0 HB2 LEU A 17 -2.980 1.675 8.506 1.00 53.13 H new ATOM 0 HB3 LEU A 17 -4.249 0.828 7.642 1.00 53.13 H new ATOM 0 HG LEU A 17 -4.593 2.374 10.252 1.00 14.11 H new ATOM 0 HD11 LEU A 17 -5.926 3.970 8.911 1.00 53.40 H new ATOM 0 HD12 LEU A 17 -4.236 3.879 8.363 1.00 53.40 H new ATOM 0 HD13 LEU A 17 -5.517 3.062 7.437 1.00 53.40 H new ATOM 0 HD21 LEU A 17 -7.020 1.998 9.979 1.00 75.44 H new ATOM 0 HD22 LEU A 17 -6.691 0.941 8.585 1.00 75.44 H new ATOM 0 HD23 LEU A 17 -6.125 0.477 10.207 1.00 75.44 H new ATOM 299 N SER A 18 -1.334 -0.721 8.562 1.00 3.02 N ATOM 300 CA SER A 18 -0.313 -1.473 7.795 1.00 41.53 C ATOM 301 C SER A 18 -0.254 -2.939 8.236 1.00 3.15 C ATOM 302 O SER A 18 -0.218 -3.842 7.397 1.00 71.04 O ATOM 303 CB SER A 18 1.086 -0.828 7.933 1.00 50.03 C ATOM 304 OG SER A 18 1.506 -0.758 9.283 1.00 54.52 O ATOM 0 H SER A 18 -0.967 0.110 9.026 1.00 3.02 H new ATOM 0 HA SER A 18 -0.611 -1.435 6.747 1.00 41.53 H new ATOM 0 HB2 SER A 18 1.810 -1.405 7.357 1.00 50.03 H new ATOM 0 HB3 SER A 18 1.067 0.175 7.507 1.00 50.03 H new ATOM 0 HG SER A 18 0.722 -0.771 9.871 1.00 54.52 H new ATOM 310 N GLN A 19 -0.283 -3.149 9.571 1.00 61.33 N ATOM 311 CA GLN A 19 -0.285 -4.495 10.163 1.00 34.50 C ATOM 312 C GLN A 19 -1.548 -5.281 9.757 1.00 50.13 C ATOM 313 O GLN A 19 -1.441 -6.386 9.212 1.00 44.33 O ATOM 314 CB GLN A 19 -0.168 -4.403 11.709 1.00 2.24 C ATOM 315 CG GLN A 19 -0.210 -5.770 12.435 1.00 54.34 C ATOM 316 CD GLN A 19 0.004 -5.705 13.952 1.00 33.21 C ATOM 317 OE1 GLN A 19 0.535 -6.645 14.550 1.00 55.35 O ATOM 318 NE2 GLN A 19 -0.426 -4.622 14.595 1.00 55.51 N ATOM 0 H GLN A 19 -0.305 -2.395 10.258 1.00 61.33 H new ATOM 0 HA GLN A 19 0.580 -5.036 9.779 1.00 34.50 H new ATOM 0 HB2 GLN A 19 0.765 -3.900 11.961 1.00 2.24 H new ATOM 0 HB3 GLN A 19 -0.979 -3.780 12.086 1.00 2.24 H new ATOM 0 HG2 GLN A 19 -1.174 -6.239 12.239 1.00 54.34 H new ATOM 0 HG3 GLN A 19 0.553 -6.417 12.003 1.00 54.34 H new ATOM 0 HE21 GLN A 19 -0.861 -3.860 14.076 1.00 55.51 H new ATOM 0 HE22 GLN A 19 -0.320 -4.554 15.607 1.00 55.51 H new ATOM 327 N SER A 20 -2.735 -4.671 9.977 1.00 34.22 N ATOM 328 CA SER A 20 -4.031 -5.351 9.762 1.00 61.35 C ATOM 329 C SER A 20 -4.238 -5.755 8.285 1.00 42.20 C ATOM 330 O SER A 20 -4.613 -6.901 7.999 1.00 22.23 O ATOM 331 CB SER A 20 -5.208 -4.479 10.263 1.00 41.40 C ATOM 332 OG SER A 20 -5.254 -3.224 9.611 1.00 23.41 O ATOM 0 H SER A 20 -2.821 -3.709 10.303 1.00 34.22 H new ATOM 0 HA SER A 20 -4.009 -6.269 10.349 1.00 61.35 H new ATOM 0 HB2 SER A 20 -6.147 -5.008 10.098 1.00 41.40 H new ATOM 0 HB3 SER A 20 -5.113 -4.326 11.338 1.00 41.40 H new ATOM 0 HG SER A 20 -4.391 -3.047 9.181 1.00 23.41 H new ATOM 338 N LEU A 21 -3.950 -4.822 7.352 1.00 64.10 N ATOM 339 CA LEU A 21 -4.134 -5.059 5.905 1.00 63.45 C ATOM 340 C LEU A 21 -3.061 -5.993 5.339 1.00 21.05 C ATOM 341 O LEU A 21 -3.300 -6.655 4.335 1.00 73.53 O ATOM 342 CB LEU A 21 -4.228 -3.716 5.115 1.00 55.35 C ATOM 343 CG LEU A 21 -3.020 -2.709 5.190 1.00 14.42 C ATOM 344 CD1 LEU A 21 -1.834 -3.105 4.301 1.00 64.33 C ATOM 345 CD2 LEU A 21 -3.469 -1.271 4.866 1.00 15.15 C ATOM 0 H LEU A 21 -3.588 -3.895 7.577 1.00 64.10 H new ATOM 0 HA LEU A 21 -5.088 -5.571 5.776 1.00 63.45 H new ATOM 0 HB2 LEU A 21 -4.390 -3.961 4.065 1.00 55.35 H new ATOM 0 HB3 LEU A 21 -5.118 -3.191 5.461 1.00 55.35 H new ATOM 0 HG LEU A 21 -2.668 -2.753 6.221 1.00 14.42 H new ATOM 0 HD11 LEU A 21 -1.040 -2.366 4.404 1.00 64.33 H new ATOM 0 HD12 LEU A 21 -1.461 -4.083 4.606 1.00 64.33 H new ATOM 0 HD13 LEU A 21 -2.157 -3.148 3.261 1.00 64.33 H new ATOM 0 HD21 LEU A 21 -2.612 -0.600 4.926 1.00 15.15 H new ATOM 0 HD22 LEU A 21 -3.886 -1.238 3.859 1.00 15.15 H new ATOM 0 HD23 LEU A 21 -4.227 -0.956 5.583 1.00 15.15 H new ATOM 357 N LEU A 22 -1.878 -6.025 5.984 1.00 75.30 N ATOM 358 CA LEU A 22 -0.809 -6.982 5.637 1.00 14.25 C ATOM 359 C LEU A 22 -1.292 -8.420 5.870 1.00 45.44 C ATOM 360 O LEU A 22 -1.074 -9.309 5.037 1.00 50.25 O ATOM 361 CB LEU A 22 0.460 -6.723 6.483 1.00 62.41 C ATOM 362 CG LEU A 22 1.663 -7.672 6.200 1.00 12.35 C ATOM 363 CD1 LEU A 22 2.235 -7.449 4.788 1.00 2.42 C ATOM 364 CD2 LEU A 22 2.740 -7.532 7.287 1.00 40.22 C ATOM 0 H LEU A 22 -1.638 -5.397 6.751 1.00 75.30 H new ATOM 0 HA LEU A 22 -0.563 -6.845 4.584 1.00 14.25 H new ATOM 0 HB2 LEU A 22 0.783 -5.696 6.315 1.00 62.41 H new ATOM 0 HB3 LEU A 22 0.195 -6.806 7.537 1.00 62.41 H new ATOM 0 HG LEU A 22 1.298 -8.699 6.234 1.00 12.35 H new ATOM 0 HD11 LEU A 22 3.073 -8.127 4.623 1.00 2.42 H new ATOM 0 HD12 LEU A 22 1.460 -7.643 4.047 1.00 2.42 H new ATOM 0 HD13 LEU A 22 2.578 -6.419 4.693 1.00 2.42 H new ATOM 0 HD21 LEU A 22 3.569 -8.205 7.067 1.00 40.22 H new ATOM 0 HD22 LEU A 22 3.103 -6.504 7.310 1.00 40.22 H new ATOM 0 HD23 LEU A 22 2.313 -7.788 8.257 1.00 40.22 H new ATOM 376 N GLU A 23 -1.954 -8.616 7.025 1.00 53.33 N ATOM 377 CA GLU A 23 -2.573 -9.894 7.398 1.00 21.34 C ATOM 378 C GLU A 23 -3.668 -10.272 6.382 1.00 75.25 C ATOM 379 O GLU A 23 -3.727 -11.409 5.931 1.00 73.32 O ATOM 380 CB GLU A 23 -3.139 -9.800 8.836 1.00 14.54 C ATOM 381 CG GLU A 23 -2.068 -9.508 9.917 1.00 53.13 C ATOM 382 CD GLU A 23 -2.669 -9.200 11.296 1.00 33.51 C ATOM 383 OE1 GLU A 23 -2.943 -10.142 12.067 1.00 13.11 O ATOM 384 OE2 GLU A 23 -2.891 -8.016 11.613 1.00 14.30 O ATOM 0 H GLU A 23 -2.073 -7.886 7.727 1.00 53.33 H new ATOM 0 HA GLU A 23 -1.821 -10.682 7.380 1.00 21.34 H new ATOM 0 HB2 GLU A 23 -3.895 -9.016 8.867 1.00 14.54 H new ATOM 0 HB3 GLU A 23 -3.641 -10.736 9.080 1.00 14.54 H new ATOM 0 HG2 GLU A 23 -1.403 -10.367 10.001 1.00 53.13 H new ATOM 0 HG3 GLU A 23 -1.458 -8.663 9.597 1.00 53.13 H new ATOM 391 N LEU A 24 -4.475 -9.271 5.981 1.00 64.54 N ATOM 392 CA LEU A 24 -5.543 -9.440 4.969 1.00 4.11 C ATOM 393 C LEU A 24 -4.947 -9.807 3.582 1.00 3.31 C ATOM 394 O LEU A 24 -5.510 -10.620 2.853 1.00 1.42 O ATOM 395 CB LEU A 24 -6.396 -8.137 4.894 1.00 12.53 C ATOM 396 CG LEU A 24 -7.150 -7.744 6.213 1.00 23.43 C ATOM 397 CD1 LEU A 24 -7.732 -6.315 6.132 1.00 61.44 C ATOM 398 CD2 LEU A 24 -8.249 -8.772 6.552 1.00 71.21 C ATOM 0 H LEU A 24 -4.407 -8.322 6.348 1.00 64.54 H new ATOM 0 HA LEU A 24 -6.189 -10.266 5.267 1.00 4.11 H new ATOM 0 HB2 LEU A 24 -5.742 -7.312 4.611 1.00 12.53 H new ATOM 0 HB3 LEU A 24 -7.131 -8.250 4.097 1.00 12.53 H new ATOM 0 HG LEU A 24 -6.419 -7.754 7.021 1.00 23.43 H new ATOM 0 HD11 LEU A 24 -8.247 -6.078 7.063 1.00 61.44 H new ATOM 0 HD12 LEU A 24 -6.924 -5.601 5.973 1.00 61.44 H new ATOM 0 HD13 LEU A 24 -8.437 -6.256 5.303 1.00 61.44 H new ATOM 0 HD21 LEU A 24 -8.755 -8.474 7.471 1.00 71.21 H new ATOM 0 HD22 LEU A 24 -8.972 -8.814 5.737 1.00 71.21 H new ATOM 0 HD23 LEU A 24 -7.798 -9.755 6.688 1.00 71.21 H new ATOM 410 N ALA A 25 -3.769 -9.236 3.270 1.00 41.44 N ATOM 411 CA ALA A 25 -3.078 -9.433 1.975 1.00 73.42 C ATOM 412 C ALA A 25 -2.533 -10.865 1.838 1.00 22.14 C ATOM 413 O ALA A 25 -2.778 -11.540 0.834 1.00 64.11 O ATOM 414 CB ALA A 25 -1.938 -8.406 1.815 1.00 31.23 C ATOM 0 H ALA A 25 -3.265 -8.622 3.909 1.00 41.44 H new ATOM 0 HA ALA A 25 -3.808 -9.279 1.181 1.00 73.42 H new ATOM 0 HB1 ALA A 25 -1.439 -8.563 0.859 1.00 31.23 H new ATOM 0 HB2 ALA A 25 -2.350 -7.397 1.849 1.00 31.23 H new ATOM 0 HB3 ALA A 25 -1.219 -8.532 2.624 1.00 31.23 H new ATOM 420 N GLN A 26 -1.810 -11.325 2.873 1.00 43.10 N ATOM 421 CA GLN A 26 -1.187 -12.666 2.891 1.00 34.24 C ATOM 422 C GLN A 26 -2.252 -13.771 3.028 1.00 11.23 C ATOM 423 O GLN A 26 -2.042 -14.905 2.582 1.00 71.41 O ATOM 424 CB GLN A 26 -0.134 -12.747 4.026 1.00 20.23 C ATOM 425 CG GLN A 26 -0.699 -12.617 5.456 1.00 24.03 C ATOM 426 CD GLN A 26 0.365 -12.531 6.557 1.00 43.43 C ATOM 427 OE1 GLN A 26 1.476 -11.862 6.287 1.00 12.41 O flip ATOM 428 NE2 GLN A 26 0.166 -13.021 7.672 1.00 55.20 N flip ATOM 0 H GLN A 26 -1.639 -10.782 3.720 1.00 43.10 H new ATOM 0 HA GLN A 26 -0.678 -12.827 1.941 1.00 34.24 H new ATOM 0 HB2 GLN A 26 0.392 -13.698 3.945 1.00 20.23 H new ATOM 0 HB3 GLN A 26 0.605 -11.961 3.871 1.00 20.23 H new ATOM 0 HG2 GLN A 26 -1.327 -11.727 5.505 1.00 24.03 H new ATOM 0 HG3 GLN A 26 -1.343 -13.473 5.657 1.00 24.03 H new ATOM 0 HE21 GLN A 26 -0.697 -13.532 7.858 1.00 55.20 H new ATOM 0 HE22 GLN A 26 0.864 -12.915 8.408 1.00 55.20 H new ATOM 437 N ARG A 27 -3.397 -13.419 3.639 1.00 73.33 N ATOM 438 CA ARG A 27 -4.571 -14.311 3.718 1.00 52.00 C ATOM 439 C ARG A 27 -5.286 -14.408 2.358 1.00 15.44 C ATOM 440 O ARG A 27 -5.934 -15.413 2.069 1.00 53.54 O ATOM 441 CB ARG A 27 -5.560 -13.814 4.807 1.00 74.22 C ATOM 442 CG ARG A 27 -5.157 -14.161 6.251 1.00 24.31 C ATOM 443 CD ARG A 27 -5.201 -15.668 6.527 1.00 44.21 C ATOM 444 NE ARG A 27 -6.550 -16.215 6.278 1.00 73.34 N ATOM 445 CZ ARG A 27 -6.822 -17.381 5.655 1.00 70.43 C ATOM 446 NH1 ARG A 27 -5.837 -18.165 5.210 1.00 41.30 N ATOM 447 NH2 ARG A 27 -8.082 -17.758 5.479 1.00 32.34 N ATOM 0 H ARG A 27 -3.536 -12.515 4.090 1.00 73.33 H new ATOM 0 HA ARG A 27 -4.217 -15.306 3.990 1.00 52.00 H new ATOM 0 HB2 ARG A 27 -5.658 -12.732 4.722 1.00 74.22 H new ATOM 0 HB3 ARG A 27 -6.543 -14.240 4.607 1.00 74.22 H new ATOM 0 HG2 ARG A 27 -4.151 -13.789 6.443 1.00 24.31 H new ATOM 0 HG3 ARG A 27 -5.824 -13.648 6.944 1.00 24.31 H new ATOM 0 HD2 ARG A 27 -4.476 -16.178 5.893 1.00 44.21 H new ATOM 0 HD3 ARG A 27 -4.912 -15.860 7.560 1.00 44.21 H new ATOM 0 HE ARG A 27 -7.344 -15.665 6.605 1.00 73.34 H new ATOM 0 HH11 ARG A 27 -4.865 -17.885 5.339 1.00 41.30 H new ATOM 0 HH12 ARG A 27 -6.057 -19.044 4.741 1.00 41.30 H new ATOM 0 HH21 ARG A 27 -8.843 -17.167 5.814 1.00 32.34 H new ATOM 0 HH22 ARG A 27 -8.290 -18.639 5.008 1.00 32.34 H new ATOM 461 N GLY A 28 -5.149 -13.350 1.531 1.00 24.43 N ATOM 462 CA GLY A 28 -5.745 -13.301 0.192 1.00 63.32 C ATOM 463 C GLY A 28 -7.032 -12.488 0.137 1.00 34.21 C ATOM 464 O GLY A 28 -7.691 -12.441 -0.908 1.00 31.23 O ATOM 0 H GLY A 28 -4.623 -12.512 1.778 1.00 24.43 H new ATOM 0 HA2 GLY A 28 -5.023 -12.874 -0.504 1.00 63.32 H new ATOM 0 HA3 GLY A 28 -5.950 -14.317 -0.145 1.00 63.32 H new ATOM 468 N GLU A 29 -7.410 -11.879 1.273 1.00 42.21 N ATOM 469 CA GLU A 29 -8.534 -10.929 1.357 1.00 44.51 C ATOM 470 C GLU A 29 -8.127 -9.587 0.720 1.00 51.50 C ATOM 471 O GLU A 29 -7.718 -8.649 1.415 1.00 70.33 O ATOM 472 CB GLU A 29 -8.995 -10.734 2.842 1.00 72.52 C ATOM 473 CG GLU A 29 -9.987 -11.791 3.376 1.00 72.32 C ATOM 474 CD GLU A 29 -9.467 -13.234 3.323 1.00 3.13 C ATOM 475 OE1 GLU A 29 -9.769 -13.955 2.348 1.00 4.02 O ATOM 476 OE2 GLU A 29 -8.780 -13.669 4.265 1.00 2.50 O ATOM 0 H GLU A 29 -6.941 -12.033 2.166 1.00 42.21 H new ATOM 0 HA GLU A 29 -9.382 -11.335 0.805 1.00 44.51 H new ATOM 0 HB2 GLU A 29 -8.112 -10.735 3.481 1.00 72.52 H new ATOM 0 HB3 GLU A 29 -9.455 -9.750 2.935 1.00 72.52 H new ATOM 0 HG2 GLU A 29 -10.239 -11.546 4.408 1.00 72.32 H new ATOM 0 HG3 GLU A 29 -10.910 -11.729 2.799 1.00 72.32 H new ATOM 483 N TRP A 30 -8.214 -9.534 -0.623 1.00 14.04 N ATOM 484 CA TRP A 30 -7.850 -8.342 -1.410 1.00 61.31 C ATOM 485 C TRP A 30 -8.883 -7.239 -1.225 1.00 61.12 C ATOM 486 O TRP A 30 -8.541 -6.075 -1.181 1.00 34.11 O ATOM 487 CB TRP A 30 -7.708 -8.696 -2.914 1.00 23.20 C ATOM 488 CG TRP A 30 -6.826 -9.896 -3.165 1.00 14.42 C ATOM 489 CD1 TRP A 30 -7.173 -11.071 -3.784 1.00 5.00 C ATOM 490 CD2 TRP A 30 -5.460 -10.048 -2.766 1.00 72.51 C ATOM 491 NE1 TRP A 30 -6.109 -11.934 -3.779 1.00 52.10 N ATOM 492 CE2 TRP A 30 -5.049 -11.329 -3.166 1.00 63.40 C ATOM 493 CE3 TRP A 30 -4.547 -9.225 -2.106 1.00 61.52 C ATOM 494 CZ2 TRP A 30 -3.767 -11.800 -2.931 1.00 13.42 C ATOM 495 CZ3 TRP A 30 -3.276 -9.692 -1.873 1.00 41.01 C ATOM 496 CH2 TRP A 30 -2.896 -10.969 -2.281 1.00 22.10 C ATOM 0 H TRP A 30 -8.538 -10.316 -1.192 1.00 14.04 H new ATOM 0 HA TRP A 30 -6.887 -7.981 -1.048 1.00 61.31 H new ATOM 0 HB2 TRP A 30 -8.697 -8.888 -3.330 1.00 23.20 H new ATOM 0 HB3 TRP A 30 -7.300 -7.836 -3.445 1.00 23.20 H new ATOM 0 HD1 TRP A 30 -8.142 -11.284 -4.212 1.00 5.00 H new ATOM 0 HE1 TRP A 30 -6.109 -12.876 -4.170 1.00 52.10 H new ATOM 0 HE3 TRP A 30 -4.835 -8.235 -1.783 1.00 61.52 H new ATOM 0 HZ2 TRP A 30 -3.466 -12.787 -3.249 1.00 13.42 H new ATOM 0 HZ3 TRP A 30 -2.561 -9.060 -1.366 1.00 41.01 H new ATOM 0 HH2 TRP A 30 -1.891 -11.310 -2.080 1.00 22.10 H new ATOM 507 N ASP A 31 -10.143 -7.647 -1.080 1.00 22.03 N ATOM 508 CA ASP A 31 -11.287 -6.736 -0.897 1.00 42.12 C ATOM 509 C ASP A 31 -11.119 -5.917 0.397 1.00 24.53 C ATOM 510 O ASP A 31 -11.342 -4.703 0.423 1.00 11.53 O ATOM 511 CB ASP A 31 -12.594 -7.565 -0.838 1.00 34.13 C ATOM 512 CG ASP A 31 -12.762 -8.503 -2.050 1.00 44.41 C ATOM 513 OD1 ASP A 31 -12.168 -9.607 -2.042 1.00 72.22 O ATOM 514 OD2 ASP A 31 -13.468 -8.141 -3.015 1.00 4.32 O ATOM 0 H ASP A 31 -10.408 -8.632 -1.086 1.00 22.03 H new ATOM 0 HA ASP A 31 -11.333 -6.043 -1.737 1.00 42.12 H new ATOM 0 HB2 ASP A 31 -12.603 -8.157 0.077 1.00 34.13 H new ATOM 0 HB3 ASP A 31 -13.447 -6.888 -0.788 1.00 34.13 H new ATOM 519 N LEU A 32 -10.684 -6.621 1.460 1.00 74.42 N ATOM 520 CA LEU A 32 -10.464 -6.034 2.790 1.00 24.40 C ATOM 521 C LEU A 32 -9.124 -5.266 2.834 1.00 2.31 C ATOM 522 O LEU A 32 -9.001 -4.276 3.553 1.00 22.22 O ATOM 523 CB LEU A 32 -10.536 -7.148 3.865 1.00 14.42 C ATOM 524 CG LEU A 32 -11.873 -7.962 3.921 1.00 3.30 C ATOM 525 CD1 LEU A 32 -11.838 -9.018 5.049 1.00 73.42 C ATOM 526 CD2 LEU A 32 -13.097 -7.027 4.067 1.00 64.14 C ATOM 0 H LEU A 32 -10.475 -7.618 1.417 1.00 74.42 H new ATOM 0 HA LEU A 32 -11.249 -5.308 3.003 1.00 24.40 H new ATOM 0 HB2 LEU A 32 -9.716 -7.845 3.693 1.00 14.42 H new ATOM 0 HB3 LEU A 32 -10.369 -6.694 4.842 1.00 14.42 H new ATOM 0 HG LEU A 32 -11.975 -8.492 2.974 1.00 3.30 H new ATOM 0 HD11 LEU A 32 -12.780 -9.567 5.063 1.00 73.42 H new ATOM 0 HD12 LEU A 32 -11.016 -9.712 4.872 1.00 73.42 H new ATOM 0 HD13 LEU A 32 -11.694 -8.521 6.008 1.00 73.42 H new ATOM 0 HD21 LEU A 32 -14.008 -7.624 4.103 1.00 64.14 H new ATOM 0 HD22 LEU A 32 -13.006 -6.449 4.986 1.00 64.14 H new ATOM 0 HD23 LEU A 32 -13.141 -6.349 3.215 1.00 64.14 H new ATOM 538 N LEU A 33 -8.134 -5.736 2.044 1.00 42.10 N ATOM 539 CA LEU A 33 -6.845 -5.025 1.836 1.00 63.25 C ATOM 540 C LEU A 33 -7.094 -3.633 1.209 1.00 25.01 C ATOM 541 O LEU A 33 -6.554 -2.622 1.671 1.00 0.41 O ATOM 542 CB LEU A 33 -5.912 -5.863 0.910 1.00 23.11 C ATOM 543 CG LEU A 33 -4.582 -5.174 0.444 1.00 25.32 C ATOM 544 CD1 LEU A 33 -3.615 -4.948 1.616 1.00 71.31 C ATOM 545 CD2 LEU A 33 -3.908 -5.962 -0.695 1.00 71.20 C ATOM 0 H LEU A 33 -8.201 -6.616 1.532 1.00 42.10 H new ATOM 0 HA LEU A 33 -6.361 -4.894 2.804 1.00 63.25 H new ATOM 0 HB2 LEU A 33 -5.654 -6.785 1.431 1.00 23.11 H new ATOM 0 HB3 LEU A 33 -6.478 -6.146 0.023 1.00 23.11 H new ATOM 0 HG LEU A 33 -4.850 -4.193 0.053 1.00 25.32 H new ATOM 0 HD11 LEU A 33 -2.707 -4.469 1.251 1.00 71.31 H new ATOM 0 HD12 LEU A 33 -4.089 -4.308 2.360 1.00 71.31 H new ATOM 0 HD13 LEU A 33 -3.363 -5.907 2.069 1.00 71.31 H new ATOM 0 HD21 LEU A 33 -2.990 -5.456 -0.993 1.00 71.20 H new ATOM 0 HD22 LEU A 33 -3.673 -6.969 -0.351 1.00 71.20 H new ATOM 0 HD23 LEU A 33 -4.584 -6.019 -1.548 1.00 71.20 H new ATOM 557 N LEU A 34 -7.949 -3.614 0.170 1.00 40.50 N ATOM 558 CA LEU A 34 -8.289 -2.402 -0.605 1.00 64.15 C ATOM 559 C LEU A 34 -9.224 -1.485 0.199 1.00 14.13 C ATOM 560 O LEU A 34 -9.236 -0.264 0.000 1.00 5.24 O ATOM 561 CB LEU A 34 -8.937 -2.809 -1.954 1.00 44.53 C ATOM 562 CG LEU A 34 -8.015 -3.616 -2.923 1.00 5.11 C ATOM 563 CD1 LEU A 34 -8.807 -4.176 -4.123 1.00 32.31 C ATOM 564 CD2 LEU A 34 -6.806 -2.774 -3.374 1.00 42.40 C ATOM 0 H LEU A 34 -8.431 -4.450 -0.161 1.00 40.50 H new ATOM 0 HA LEU A 34 -7.375 -1.844 -0.809 1.00 64.15 H new ATOM 0 HB2 LEU A 34 -9.826 -3.404 -1.746 1.00 44.53 H new ATOM 0 HB3 LEU A 34 -9.270 -1.906 -2.465 1.00 44.53 H new ATOM 0 HG LEU A 34 -7.625 -4.472 -2.373 1.00 5.11 H new ATOM 0 HD11 LEU A 34 -8.134 -4.732 -4.776 1.00 32.31 H new ATOM 0 HD12 LEU A 34 -9.593 -4.840 -3.762 1.00 32.31 H new ATOM 0 HD13 LEU A 34 -9.255 -3.353 -4.680 1.00 32.31 H new ATOM 0 HD21 LEU A 34 -6.183 -3.363 -4.047 1.00 42.40 H new ATOM 0 HD22 LEU A 34 -7.157 -1.881 -3.892 1.00 42.40 H new ATOM 0 HD23 LEU A 34 -6.221 -2.481 -2.502 1.00 42.40 H new ATOM 576 N GLN A 35 -9.999 -2.092 1.119 1.00 42.31 N ATOM 577 CA GLN A 35 -10.819 -1.348 2.089 1.00 21.04 C ATOM 578 C GLN A 35 -9.913 -0.477 2.978 1.00 62.41 C ATOM 579 O GLN A 35 -10.229 0.672 3.269 1.00 30.12 O ATOM 580 CB GLN A 35 -11.650 -2.325 2.970 1.00 31.15 C ATOM 581 CG GLN A 35 -12.564 -1.644 4.018 1.00 13.32 C ATOM 582 CD GLN A 35 -13.615 -0.692 3.421 1.00 2.03 C ATOM 583 OE1 GLN A 35 -13.978 0.313 4.038 1.00 40.13 O ATOM 584 NE2 GLN A 35 -14.148 -1.011 2.241 1.00 14.35 N ATOM 0 H GLN A 35 -10.073 -3.105 1.209 1.00 42.31 H new ATOM 0 HA GLN A 35 -11.510 -0.707 1.541 1.00 21.04 H new ATOM 0 HB2 GLN A 35 -12.268 -2.943 2.318 1.00 31.15 H new ATOM 0 HB3 GLN A 35 -10.965 -2.995 3.489 1.00 31.15 H new ATOM 0 HG2 GLN A 35 -13.076 -2.416 4.593 1.00 13.32 H new ATOM 0 HG3 GLN A 35 -11.941 -1.086 4.717 1.00 13.32 H new ATOM 0 HE21 GLN A 35 -13.833 -1.847 1.748 1.00 14.35 H new ATOM 0 HE22 GLN A 35 -14.871 -0.419 1.831 1.00 14.35 H new ATOM 593 N GLN A 36 -8.765 -1.050 3.370 1.00 70.33 N ATOM 594 CA GLN A 36 -7.789 -0.393 4.249 1.00 13.02 C ATOM 595 C GLN A 36 -6.812 0.495 3.457 1.00 3.42 C ATOM 596 O GLN A 36 -6.238 1.412 4.029 1.00 32.13 O ATOM 597 CB GLN A 36 -7.026 -1.471 5.053 1.00 73.13 C ATOM 598 CG GLN A 36 -7.928 -2.363 5.921 1.00 55.34 C ATOM 599 CD GLN A 36 -8.637 -1.597 7.030 1.00 61.41 C ATOM 600 OE1 GLN A 36 -8.090 -0.663 7.610 1.00 64.23 O ATOM 601 NE2 GLN A 36 -9.881 -1.946 7.299 1.00 24.03 N ATOM 0 H GLN A 36 -8.487 -1.989 3.083 1.00 70.33 H new ATOM 0 HA GLN A 36 -8.325 0.263 4.935 1.00 13.02 H new ATOM 0 HB2 GLN A 36 -6.470 -2.101 4.359 1.00 73.13 H new ATOM 0 HB3 GLN A 36 -6.294 -0.980 5.694 1.00 73.13 H new ATOM 0 HG2 GLN A 36 -8.673 -2.843 5.286 1.00 55.34 H new ATOM 0 HG3 GLN A 36 -7.326 -3.157 6.363 1.00 55.34 H new ATOM 0 HE21 GLN A 36 -10.311 -2.726 6.802 1.00 24.03 H new ATOM 0 HE22 GLN A 36 -10.413 -1.436 8.004 1.00 24.03 H new ATOM 610 N GLU A 37 -6.645 0.203 2.144 1.00 4.52 N ATOM 611 CA GLU A 37 -5.762 0.968 1.219 1.00 54.52 C ATOM 612 C GLU A 37 -6.068 2.474 1.276 1.00 71.45 C ATOM 613 O GLU A 37 -5.153 3.300 1.421 1.00 54.21 O ATOM 614 CB GLU A 37 -5.964 0.475 -0.246 1.00 10.40 C ATOM 615 CG GLU A 37 -5.232 1.313 -1.333 1.00 42.34 C ATOM 616 CD GLU A 37 -5.650 1.019 -2.788 1.00 22.15 C ATOM 617 OE1 GLU A 37 -6.752 0.478 -3.009 1.00 70.52 O ATOM 618 OE2 GLU A 37 -4.925 1.427 -3.723 1.00 45.25 O ATOM 0 H GLU A 37 -7.122 -0.576 1.690 1.00 4.52 H new ATOM 0 HA GLU A 37 -4.732 0.801 1.534 1.00 54.52 H new ATOM 0 HB2 GLU A 37 -5.623 -0.558 -0.315 1.00 10.40 H new ATOM 0 HB3 GLU A 37 -7.031 0.474 -0.468 1.00 10.40 H new ATOM 0 HG2 GLU A 37 -5.404 2.370 -1.130 1.00 42.34 H new ATOM 0 HG3 GLU A 37 -4.160 1.141 -1.239 1.00 42.34 H new ATOM 625 N VAL A 38 -7.375 2.800 1.169 1.00 63.31 N ATOM 626 CA VAL A 38 -7.852 4.190 1.112 1.00 13.14 C ATOM 627 C VAL A 38 -7.387 4.997 2.347 1.00 63.04 C ATOM 628 O VAL A 38 -6.702 6.010 2.198 1.00 73.25 O ATOM 629 CB VAL A 38 -9.420 4.283 0.909 1.00 3.11 C ATOM 630 CG1 VAL A 38 -9.835 3.689 -0.456 1.00 75.04 C ATOM 631 CG2 VAL A 38 -10.214 3.613 2.053 1.00 30.23 C ATOM 0 H VAL A 38 -8.122 2.107 1.120 1.00 63.31 H new ATOM 0 HA VAL A 38 -7.398 4.643 0.231 1.00 13.14 H new ATOM 0 HB VAL A 38 -9.671 5.344 0.927 1.00 3.11 H new ATOM 0 HG11 VAL A 38 -10.916 3.764 -0.572 1.00 75.04 H new ATOM 0 HG12 VAL A 38 -9.345 4.242 -1.257 1.00 75.04 H new ATOM 0 HG13 VAL A 38 -9.537 2.641 -0.503 1.00 75.04 H new ATOM 0 HG21 VAL A 38 -11.282 3.708 1.859 1.00 30.23 H new ATOM 0 HG22 VAL A 38 -9.949 2.557 2.110 1.00 30.23 H new ATOM 0 HG23 VAL A 38 -9.972 4.100 2.998 1.00 30.23 H new ATOM 641 N SER A 39 -7.662 4.461 3.550 1.00 42.33 N ATOM 642 CA SER A 39 -7.353 5.123 4.828 1.00 53.44 C ATOM 643 C SER A 39 -5.838 5.172 5.080 1.00 24.10 C ATOM 644 O SER A 39 -5.310 6.181 5.546 1.00 52.30 O ATOM 645 CB SER A 39 -8.079 4.373 5.968 1.00 11.42 C ATOM 646 OG SER A 39 -7.835 2.970 5.916 1.00 61.03 O ATOM 0 H SER A 39 -8.108 3.550 3.662 1.00 42.33 H new ATOM 0 HA SER A 39 -7.703 6.155 4.790 1.00 53.44 H new ATOM 0 HB2 SER A 39 -7.748 4.764 6.930 1.00 11.42 H new ATOM 0 HB3 SER A 39 -9.151 4.559 5.901 1.00 11.42 H new ATOM 0 HG SER A 39 -7.228 2.771 5.172 1.00 61.03 H new ATOM 652 N TYR A 40 -5.163 4.076 4.716 1.00 10.12 N ATOM 653 CA TYR A 40 -3.731 3.859 4.969 1.00 12.00 C ATOM 654 C TYR A 40 -2.857 4.854 4.189 1.00 13.23 C ATOM 655 O TYR A 40 -2.142 5.674 4.791 1.00 14.43 O ATOM 656 CB TYR A 40 -3.387 2.401 4.586 1.00 24.12 C ATOM 657 CG TYR A 40 -1.908 2.018 4.651 1.00 31.04 C ATOM 658 CD1 TYR A 40 -1.164 2.187 5.817 1.00 52.44 C ATOM 659 CD2 TYR A 40 -1.268 1.445 3.546 1.00 44.41 C ATOM 660 CE1 TYR A 40 0.157 1.807 5.873 1.00 30.44 C ATOM 661 CE2 TYR A 40 0.054 1.068 3.603 1.00 53.22 C ATOM 662 CZ TYR A 40 0.761 1.244 4.769 1.00 51.04 C ATOM 663 OH TYR A 40 2.074 0.847 4.835 1.00 70.14 O ATOM 0 H TYR A 40 -5.605 3.298 4.227 1.00 10.12 H new ATOM 0 HA TYR A 40 -3.523 4.028 6.026 1.00 12.00 H new ATOM 0 HB2 TYR A 40 -3.943 1.733 5.244 1.00 24.12 H new ATOM 0 HB3 TYR A 40 -3.744 2.220 3.572 1.00 24.12 H new ATOM 0 HD1 TYR A 40 -1.631 2.622 6.688 1.00 52.44 H new ATOM 0 HD2 TYR A 40 -1.822 1.296 2.631 1.00 44.41 H new ATOM 0 HE1 TYR A 40 0.721 1.950 6.783 1.00 30.44 H new ATOM 0 HE2 TYR A 40 0.534 0.636 2.737 1.00 53.22 H new ATOM 0 HH TYR A 40 2.517 1.304 5.580 1.00 70.14 H new ATOM 673 N LEU A 41 -2.936 4.773 2.846 1.00 23.43 N ATOM 674 CA LEU A 41 -2.144 5.622 1.951 1.00 51.54 C ATOM 675 C LEU A 41 -2.535 7.106 2.124 1.00 0.23 C ATOM 676 O LEU A 41 -1.663 7.966 2.068 1.00 2.11 O ATOM 677 CB LEU A 41 -2.292 5.151 0.475 1.00 2.11 C ATOM 678 CG LEU A 41 -1.732 3.722 0.147 1.00 20.14 C ATOM 679 CD1 LEU A 41 -2.039 3.311 -1.317 1.00 0.44 C ATOM 680 CD2 LEU A 41 -0.215 3.634 0.442 1.00 33.43 C ATOM 0 H LEU A 41 -3.549 4.119 2.359 1.00 23.43 H new ATOM 0 HA LEU A 41 -1.092 5.528 2.218 1.00 51.54 H new ATOM 0 HB2 LEU A 41 -3.350 5.174 0.212 1.00 2.11 H new ATOM 0 HB3 LEU A 41 -1.788 5.873 -0.168 1.00 2.11 H new ATOM 0 HG LEU A 41 -2.243 3.015 0.801 1.00 20.14 H new ATOM 0 HD11 LEU A 41 -1.636 2.316 -1.508 1.00 0.44 H new ATOM 0 HD12 LEU A 41 -3.118 3.302 -1.474 1.00 0.44 H new ATOM 0 HD13 LEU A 41 -1.579 4.026 -2.000 1.00 0.44 H new ATOM 0 HD21 LEU A 41 0.144 2.633 0.205 1.00 33.43 H new ATOM 0 HD22 LEU A 41 0.317 4.364 -0.168 1.00 33.43 H new ATOM 0 HD23 LEU A 41 -0.037 3.843 1.497 1.00 33.43 H new ATOM 692 N GLN A 42 -3.843 7.384 2.389 1.00 34.11 N ATOM 693 CA GLN A 42 -4.327 8.758 2.693 1.00 3.41 C ATOM 694 C GLN A 42 -3.610 9.340 3.923 1.00 64.34 C ATOM 695 O GLN A 42 -3.198 10.504 3.913 1.00 52.44 O ATOM 696 CB GLN A 42 -5.853 8.761 2.951 1.00 55.32 C ATOM 697 CG GLN A 42 -6.474 10.145 3.256 1.00 33.21 C ATOM 698 CD GLN A 42 -7.959 10.100 3.655 1.00 40.43 C ATOM 699 OE1 GLN A 42 -8.431 10.937 4.432 1.00 1.25 O ATOM 700 NE2 GLN A 42 -8.718 9.151 3.116 1.00 32.03 N ATOM 0 H GLN A 42 -4.577 6.676 2.398 1.00 34.11 H new ATOM 0 HA GLN A 42 -4.105 9.377 1.824 1.00 3.41 H new ATOM 0 HB2 GLN A 42 -6.352 8.343 2.077 1.00 55.32 H new ATOM 0 HB3 GLN A 42 -6.064 8.095 3.788 1.00 55.32 H new ATOM 0 HG2 GLN A 42 -5.908 10.615 4.061 1.00 33.21 H new ATOM 0 HG3 GLN A 42 -6.365 10.780 2.377 1.00 33.21 H new ATOM 0 HE21 GLN A 42 -8.307 8.471 2.477 1.00 32.03 H new ATOM 0 HE22 GLN A 42 -9.712 9.103 3.341 1.00 32.03 H new ATOM 709 N SER A 43 -3.464 8.507 4.976 1.00 35.40 N ATOM 710 CA SER A 43 -2.828 8.921 6.240 1.00 42.41 C ATOM 711 C SER A 43 -1.323 9.229 6.049 1.00 51.11 C ATOM 712 O SER A 43 -0.795 10.171 6.658 1.00 73.13 O ATOM 713 CB SER A 43 -3.056 7.858 7.335 1.00 45.22 C ATOM 714 OG SER A 43 -4.437 7.733 7.663 1.00 5.13 O ATOM 0 H SER A 43 -3.781 7.538 4.972 1.00 35.40 H new ATOM 0 HA SER A 43 -3.301 9.848 6.566 1.00 42.41 H new ATOM 0 HB2 SER A 43 -2.673 6.896 6.995 1.00 45.22 H new ATOM 0 HB3 SER A 43 -2.492 8.127 8.228 1.00 45.22 H new ATOM 0 HG SER A 43 -4.885 7.180 6.989 1.00 5.13 H new ATOM 720 N ILE A 44 -0.651 8.449 5.178 1.00 24.44 N ATOM 721 CA ILE A 44 0.762 8.701 4.807 1.00 62.12 C ATOM 722 C ILE A 44 0.881 10.033 4.023 1.00 62.44 C ATOM 723 O ILE A 44 1.757 10.880 4.290 1.00 22.13 O ATOM 724 CB ILE A 44 1.348 7.522 3.942 1.00 1.25 C ATOM 725 CG1 ILE A 44 1.189 6.151 4.677 1.00 30.20 C ATOM 726 CG2 ILE A 44 2.824 7.795 3.588 1.00 14.50 C ATOM 727 CD1 ILE A 44 1.625 4.932 3.870 1.00 64.21 C ATOM 0 H ILE A 44 -1.062 7.638 4.716 1.00 24.44 H new ATOM 0 HA ILE A 44 1.340 8.769 5.729 1.00 62.12 H new ATOM 0 HB ILE A 44 0.780 7.465 3.014 1.00 1.25 H new ATOM 0 HG12 ILE A 44 1.767 6.182 5.601 1.00 30.20 H new ATOM 0 HG13 ILE A 44 0.144 6.026 4.959 1.00 30.20 H new ATOM 0 HG21 ILE A 44 3.213 6.971 2.990 1.00 14.50 H new ATOM 0 HG22 ILE A 44 2.896 8.722 3.019 1.00 14.50 H new ATOM 0 HG23 ILE A 44 3.407 7.886 4.504 1.00 14.50 H new ATOM 0 HD11 ILE A 44 1.477 4.030 4.464 1.00 64.21 H new ATOM 0 HD12 ILE A 44 1.031 4.868 2.958 1.00 64.21 H new ATOM 0 HD13 ILE A 44 2.679 5.026 3.610 1.00 64.21 H new ATOM 739 N GLU A 45 -0.042 10.211 3.074 1.00 52.03 N ATOM 740 CA GLU A 45 -0.096 11.397 2.214 1.00 73.21 C ATOM 741 C GLU A 45 -0.386 12.669 3.036 1.00 72.22 C ATOM 742 O GLU A 45 0.183 13.715 2.749 1.00 63.31 O ATOM 743 CB GLU A 45 -1.147 11.194 1.082 1.00 23.32 C ATOM 744 CG GLU A 45 -0.741 10.138 0.023 1.00 33.24 C ATOM 745 CD GLU A 45 -1.859 9.831 -0.995 1.00 2.34 C ATOM 746 OE1 GLU A 45 -1.901 10.467 -2.073 1.00 1.13 O ATOM 747 OE2 GLU A 45 -2.705 8.952 -0.723 1.00 54.34 O ATOM 0 H GLU A 45 -0.778 9.532 2.879 1.00 52.03 H new ATOM 0 HA GLU A 45 0.881 11.532 1.749 1.00 73.21 H new ATOM 0 HB2 GLU A 45 -2.095 10.897 1.530 1.00 23.32 H new ATOM 0 HB3 GLU A 45 -1.315 12.148 0.582 1.00 23.32 H new ATOM 0 HG2 GLU A 45 0.141 10.491 -0.512 1.00 33.24 H new ATOM 0 HG3 GLU A 45 -0.458 9.216 0.530 1.00 33.24 H new ATOM 754 N THR A 46 -1.228 12.564 4.090 1.00 10.55 N ATOM 755 CA THR A 46 -1.651 13.745 4.875 1.00 70.43 C ATOM 756 C THR A 46 -0.597 14.150 5.931 1.00 63.51 C ATOM 757 O THR A 46 -0.467 15.343 6.222 1.00 51.22 O ATOM 758 CB THR A 46 -3.067 13.568 5.534 1.00 41.11 C ATOM 759 OG1 THR A 46 -3.509 14.818 6.091 1.00 43.35 O ATOM 760 CG2 THR A 46 -3.085 12.509 6.638 1.00 21.02 C ATOM 0 H THR A 46 -1.624 11.682 4.414 1.00 10.55 H new ATOM 0 HA THR A 46 -1.735 14.560 4.156 1.00 70.43 H new ATOM 0 HB THR A 46 -3.736 13.235 4.741 1.00 41.11 H new ATOM 0 HG1 THR A 46 -4.392 14.700 6.498 1.00 43.35 H new ATOM 0 HG21 THR A 46 -4.090 12.434 7.054 1.00 21.02 H new ATOM 0 HG22 THR A 46 -2.791 11.545 6.222 1.00 21.02 H new ATOM 0 HG23 THR A 46 -2.387 12.793 7.426 1.00 21.02 H new ATOM 768 N VAL A 47 0.179 13.180 6.493 1.00 20.23 N ATOM 769 CA VAL A 47 1.288 13.528 7.423 1.00 41.20 C ATOM 770 C VAL A 47 2.405 14.277 6.667 1.00 73.41 C ATOM 771 O VAL A 47 2.969 15.249 7.181 1.00 52.30 O ATOM 772 CB VAL A 47 1.901 12.293 8.203 1.00 5.44 C ATOM 773 CG1 VAL A 47 0.880 11.666 9.162 1.00 62.32 C ATOM 774 CG2 VAL A 47 2.465 11.224 7.253 1.00 50.05 C ATOM 0 H VAL A 47 0.062 12.181 6.324 1.00 20.23 H new ATOM 0 HA VAL A 47 0.842 14.171 8.181 1.00 41.20 H new ATOM 0 HB VAL A 47 2.731 12.686 8.791 1.00 5.44 H new ATOM 0 HG11 VAL A 47 1.337 10.822 9.679 1.00 62.32 H new ATOM 0 HG12 VAL A 47 0.562 12.410 9.892 1.00 62.32 H new ATOM 0 HG13 VAL A 47 0.015 11.320 8.597 1.00 62.32 H new ATOM 0 HG21 VAL A 47 2.874 10.398 7.836 1.00 50.05 H new ATOM 0 HG22 VAL A 47 1.668 10.854 6.608 1.00 50.05 H new ATOM 0 HG23 VAL A 47 3.254 11.661 6.641 1.00 50.05 H new ATOM 784 N MET A 48 2.684 13.836 5.423 1.00 40.31 N ATOM 785 CA MET A 48 3.715 14.459 4.574 1.00 61.35 C ATOM 786 C MET A 48 3.204 15.750 3.897 1.00 71.22 C ATOM 787 O MET A 48 4.006 16.630 3.562 1.00 10.34 O ATOM 788 CB MET A 48 4.223 13.438 3.535 1.00 20.53 C ATOM 789 CG MET A 48 4.975 12.259 4.160 1.00 33.11 C ATOM 790 SD MET A 48 6.450 12.789 5.063 1.00 25.53 S ATOM 791 CE MET A 48 7.145 11.226 5.597 1.00 51.24 C ATOM 0 H MET A 48 2.207 13.048 4.985 1.00 40.31 H new ATOM 0 HA MET A 48 4.549 14.755 5.211 1.00 61.35 H new ATOM 0 HB2 MET A 48 3.375 13.058 2.965 1.00 20.53 H new ATOM 0 HB3 MET A 48 4.880 13.945 2.829 1.00 20.53 H new ATOM 0 HG2 MET A 48 4.309 11.724 4.837 1.00 33.11 H new ATOM 0 HG3 MET A 48 5.263 11.558 3.377 1.00 33.11 H new ATOM 0 HE1 MET A 48 8.127 11.396 6.039 1.00 51.24 H new ATOM 0 HE2 MET A 48 6.488 10.769 6.337 1.00 51.24 H new ATOM 0 HE3 MET A 48 7.244 10.560 4.740 1.00 51.24 H new ATOM 801 N GLU A 49 1.872 15.861 3.705 1.00 20.13 N ATOM 802 CA GLU A 49 1.225 17.097 3.180 1.00 14.33 C ATOM 803 C GLU A 49 1.238 18.179 4.271 1.00 4.34 C ATOM 804 O GLU A 49 1.354 19.373 3.982 1.00 40.14 O ATOM 805 CB GLU A 49 -0.220 16.783 2.682 1.00 13.44 C ATOM 806 CG GLU A 49 -0.987 17.932 1.953 1.00 55.22 C ATOM 807 CD GLU A 49 -1.775 18.876 2.888 1.00 51.22 C ATOM 808 OE1 GLU A 49 -2.735 18.407 3.531 1.00 32.45 O ATOM 809 OE2 GLU A 49 -1.452 20.081 2.975 1.00 55.25 O ATOM 0 H GLU A 49 1.214 15.107 3.905 1.00 20.13 H new ATOM 0 HA GLU A 49 1.783 17.473 2.323 1.00 14.33 H new ATOM 0 HB2 GLU A 49 -0.167 15.930 2.006 1.00 13.44 H new ATOM 0 HB3 GLU A 49 -0.814 16.472 3.541 1.00 13.44 H new ATOM 0 HG2 GLU A 49 -0.271 18.523 1.382 1.00 55.22 H new ATOM 0 HG3 GLU A 49 -1.680 17.491 1.237 1.00 55.22 H new ATOM 816 N LYS A 50 1.191 17.720 5.540 1.00 5.30 N ATOM 817 CA LYS A 50 1.366 18.574 6.735 1.00 1.05 C ATOM 818 C LYS A 50 2.860 18.981 6.909 1.00 30.31 C ATOM 819 O LYS A 50 3.218 19.689 7.857 1.00 45.21 O ATOM 820 CB LYS A 50 0.829 17.816 7.993 1.00 53.15 C ATOM 821 CG LYS A 50 0.697 18.669 9.278 1.00 31.31 C ATOM 822 CD LYS A 50 -0.293 19.843 9.113 1.00 52.42 C ATOM 823 CE LYS A 50 -0.361 20.747 10.351 1.00 41.22 C ATOM 824 NZ LYS A 50 -1.381 21.823 10.189 1.00 2.03 N ATOM 0 H LYS A 50 1.029 16.739 5.766 1.00 5.30 H new ATOM 0 HA LYS A 50 0.795 19.494 6.611 1.00 1.05 H new ATOM 0 HB2 LYS A 50 -0.148 17.397 7.754 1.00 53.15 H new ATOM 0 HB3 LYS A 50 1.493 16.977 8.201 1.00 53.15 H new ATOM 0 HG2 LYS A 50 0.367 18.033 10.099 1.00 31.31 H new ATOM 0 HG3 LYS A 50 1.677 19.061 9.552 1.00 31.31 H new ATOM 0 HD2 LYS A 50 0.000 20.440 8.249 1.00 52.42 H new ATOM 0 HD3 LYS A 50 -1.287 19.447 8.904 1.00 52.42 H new ATOM 0 HE2 LYS A 50 -0.601 20.146 11.228 1.00 41.22 H new ATOM 0 HE3 LYS A 50 0.616 21.195 10.529 1.00 41.22 H new ATOM 0 HZ1 LYS A 50 -1.400 22.415 11.044 1.00 2.03 H new ATOM 0 HZ2 LYS A 50 -1.138 22.411 9.366 1.00 2.03 H new ATOM 0 HZ3 LYS A 50 -2.317 21.395 10.044 1.00 2.03 H new ATOM 838 N GLN A 51 3.714 18.494 5.969 1.00 34.31 N ATOM 839 CA GLN A 51 5.164 18.783 5.882 1.00 15.04 C ATOM 840 C GLN A 51 5.943 18.064 6.995 1.00 73.03 C ATOM 841 O GLN A 51 7.147 18.284 7.143 1.00 62.02 O ATOM 842 CB GLN A 51 5.453 20.322 5.862 1.00 61.15 C ATOM 843 CG GLN A 51 4.714 21.101 4.751 1.00 2.43 C ATOM 844 CD GLN A 51 5.013 20.584 3.338 1.00 51.24 C ATOM 845 OE1 GLN A 51 5.949 21.042 2.678 1.00 63.34 O ATOM 846 NE2 GLN A 51 4.235 19.616 2.872 1.00 73.00 N ATOM 0 H GLN A 51 3.397 17.869 5.228 1.00 34.31 H new ATOM 0 HA GLN A 51 5.519 18.388 4.930 1.00 15.04 H new ATOM 0 HB2 GLN A 51 5.176 20.743 6.829 1.00 61.15 H new ATOM 0 HB3 GLN A 51 6.526 20.475 5.743 1.00 61.15 H new ATOM 0 HG2 GLN A 51 3.640 21.044 4.931 1.00 2.43 H new ATOM 0 HG3 GLN A 51 4.991 22.153 4.810 1.00 2.43 H new ATOM 0 HE21 GLN A 51 3.469 19.258 3.442 1.00 73.00 H new ATOM 0 HE22 GLN A 51 4.403 19.229 1.943 1.00 73.00 H new ATOM 855 N THR A 52 5.241 17.141 7.702 1.00 35.53 N ATOM 856 CA THR A 52 5.716 16.480 8.923 1.00 12.54 C ATOM 857 C THR A 52 6.197 17.533 9.961 1.00 44.13 C ATOM 858 O THR A 52 7.337 18.000 9.875 1.00 31.21 O ATOM 859 CB THR A 52 6.820 15.400 8.626 1.00 70.41 C ATOM 860 OG1 THR A 52 6.312 14.444 7.676 1.00 64.25 O ATOM 861 CG2 THR A 52 7.259 14.656 9.903 1.00 52.00 C ATOM 0 H THR A 52 4.308 16.836 7.424 1.00 35.53 H new ATOM 0 HA THR A 52 4.874 15.940 9.356 1.00 12.54 H new ATOM 0 HB THR A 52 7.689 15.919 8.222 1.00 70.41 H new ATOM 0 HG1 THR A 52 6.966 14.317 6.958 1.00 64.25 H new ATOM 0 HG21 THR A 52 8.022 13.920 9.651 1.00 52.00 H new ATOM 0 HG22 THR A 52 7.666 15.370 10.619 1.00 52.00 H new ATOM 0 HG23 THR A 52 6.399 14.151 10.344 1.00 52.00 H new ATOM 869 N PRO A 53 5.299 17.964 10.917 1.00 44.30 N ATOM 870 CA PRO A 53 5.631 18.990 11.946 1.00 33.53 C ATOM 871 C PRO A 53 6.955 18.662 12.685 1.00 14.14 C ATOM 872 O PRO A 53 7.077 17.579 13.230 1.00 61.15 O ATOM 873 CB PRO A 53 4.398 18.965 12.902 1.00 74.43 C ATOM 874 CG PRO A 53 3.607 17.748 12.524 1.00 51.23 C ATOM 875 CD PRO A 53 3.893 17.502 11.065 1.00 34.01 C ATOM 0 HA PRO A 53 5.803 19.977 11.516 1.00 33.53 H new ATOM 0 HB2 PRO A 53 4.713 18.917 13.944 1.00 74.43 H new ATOM 0 HB3 PRO A 53 3.800 19.869 12.791 1.00 74.43 H new ATOM 0 HG2 PRO A 53 3.899 16.890 13.129 1.00 51.23 H new ATOM 0 HG3 PRO A 53 2.542 17.908 12.691 1.00 51.23 H new ATOM 0 HD2 PRO A 53 3.785 16.449 10.804 1.00 34.01 H new ATOM 0 HD3 PRO A 53 3.214 18.061 10.421 1.00 34.01 H new ATOM 883 N PRO A 54 7.992 19.562 12.629 1.00 14.44 N ATOM 884 CA PRO A 54 9.309 19.328 13.284 1.00 14.31 C ATOM 885 C PRO A 54 9.344 19.640 14.802 1.00 34.33 C ATOM 886 O PRO A 54 10.369 19.395 15.456 1.00 20.21 O ATOM 887 CB PRO A 54 10.243 20.268 12.485 1.00 34.14 C ATOM 888 CG PRO A 54 9.370 21.426 12.112 1.00 64.24 C ATOM 889 CD PRO A 54 7.996 20.838 11.852 1.00 15.21 C ATOM 0 HA PRO A 54 9.590 18.275 13.259 1.00 14.31 H new ATOM 0 HB2 PRO A 54 11.094 20.589 13.086 1.00 34.14 H new ATOM 0 HB3 PRO A 54 10.645 19.772 11.602 1.00 34.14 H new ATOM 0 HG2 PRO A 54 9.335 22.164 12.914 1.00 64.24 H new ATOM 0 HG3 PRO A 54 9.752 21.935 11.227 1.00 64.24 H new ATOM 0 HD2 PRO A 54 7.205 21.510 12.185 1.00 15.21 H new ATOM 0 HD3 PRO A 54 7.834 20.658 10.789 1.00 15.21 H new ATOM 897 N GLY A 55 8.236 20.165 15.361 1.00 63.24 N ATOM 898 CA GLY A 55 8.162 20.490 16.796 1.00 64.44 C ATOM 899 C GLY A 55 7.817 19.266 17.649 1.00 51.13 C ATOM 900 O GLY A 55 6.781 19.229 18.319 1.00 4.45 O ATOM 0 H GLY A 55 7.383 20.372 14.841 1.00 63.24 H new ATOM 0 HA2 GLY A 55 9.117 20.901 17.123 1.00 64.44 H new ATOM 0 HA3 GLY A 55 7.411 21.264 16.953 1.00 64.44 H new ATOM 904 N ILE A 56 8.719 18.262 17.621 1.00 1.44 N ATOM 905 CA ILE A 56 8.494 16.917 18.191 1.00 61.35 C ATOM 906 C ILE A 56 9.554 16.626 19.274 1.00 32.01 C ATOM 907 O ILE A 56 10.760 16.686 18.989 1.00 30.14 O ATOM 908 CB ILE A 56 8.605 15.813 17.065 1.00 22.33 C ATOM 909 CG1 ILE A 56 7.751 16.176 15.810 1.00 52.45 C ATOM 910 CG2 ILE A 56 8.223 14.420 17.602 1.00 74.05 C ATOM 911 CD1 ILE A 56 6.265 16.390 16.052 1.00 3.14 C ATOM 0 H ILE A 56 9.640 18.365 17.194 1.00 1.44 H new ATOM 0 HA ILE A 56 7.495 16.892 18.626 1.00 61.35 H new ATOM 0 HB ILE A 56 9.650 15.780 16.755 1.00 22.33 H new ATOM 0 HG12 ILE A 56 8.161 17.084 15.367 1.00 52.45 H new ATOM 0 HG13 ILE A 56 7.868 15.381 15.074 1.00 52.45 H new ATOM 0 HG21 ILE A 56 8.310 13.685 16.802 1.00 74.05 H new ATOM 0 HG22 ILE A 56 8.892 14.149 18.418 1.00 74.05 H new ATOM 0 HG23 ILE A 56 7.196 14.440 17.966 1.00 74.05 H new ATOM 0 HD11 ILE A 56 5.775 16.637 15.110 1.00 3.14 H new ATOM 0 HD12 ILE A 56 5.828 15.479 16.461 1.00 3.14 H new ATOM 0 HD13 ILE A 56 6.126 17.208 16.759 1.00 3.14 H new ATOM 923 N THR A 57 9.105 16.315 20.506 1.00 1.25 N ATOM 924 CA THR A 57 10.008 15.941 21.614 1.00 33.11 C ATOM 925 C THR A 57 10.508 14.494 21.424 1.00 61.14 C ATOM 926 O THR A 57 9.924 13.738 20.643 1.00 11.52 O ATOM 927 CB THR A 57 9.314 16.101 23.012 1.00 64.22 C ATOM 928 OG1 THR A 57 10.276 15.923 24.061 1.00 35.45 O ATOM 929 CG2 THR A 57 8.156 15.107 23.227 1.00 21.02 C ATOM 0 H THR A 57 8.117 16.315 20.760 1.00 1.25 H new ATOM 0 HA THR A 57 10.859 16.621 21.593 1.00 33.11 H new ATOM 0 HB THR A 57 8.896 17.107 23.035 1.00 64.22 H new ATOM 0 HG1 THR A 57 10.561 16.799 24.395 1.00 35.45 H new ATOM 0 HG21 THR A 57 7.717 15.268 24.212 1.00 21.02 H new ATOM 0 HG22 THR A 57 7.396 15.262 22.461 1.00 21.02 H new ATOM 0 HG23 THR A 57 8.535 14.087 23.161 1.00 21.02 H new ATOM 937 N ARG A 58 11.533 14.097 22.203 1.00 22.43 N ATOM 938 CA ARG A 58 12.239 12.807 22.017 1.00 64.44 C ATOM 939 C ARG A 58 11.323 11.602 22.319 1.00 31.14 C ATOM 940 O ARG A 58 11.496 10.533 21.731 1.00 60.33 O ATOM 941 CB ARG A 58 13.533 12.735 22.900 1.00 42.24 C ATOM 942 CG ARG A 58 13.317 12.526 24.429 1.00 21.33 C ATOM 943 CD ARG A 58 12.656 13.726 25.144 1.00 60.12 C ATOM 944 NE ARG A 58 12.258 13.399 26.526 1.00 23.53 N ATOM 945 CZ ARG A 58 11.362 14.087 27.264 1.00 44.32 C ATOM 946 NH1 ARG A 58 10.751 15.161 26.768 1.00 1.11 N ATOM 947 NH2 ARG A 58 11.061 13.675 28.488 1.00 71.21 N ATOM 0 H ARG A 58 11.896 14.655 22.976 1.00 22.43 H new ATOM 0 HA ARG A 58 12.529 12.755 20.968 1.00 64.44 H new ATOM 0 HB2 ARG A 58 14.155 11.921 22.528 1.00 42.24 H new ATOM 0 HB3 ARG A 58 14.096 13.657 22.757 1.00 42.24 H new ATOM 0 HG2 ARG A 58 12.698 11.641 24.580 1.00 21.33 H new ATOM 0 HG3 ARG A 58 14.281 12.324 24.897 1.00 21.33 H new ATOM 0 HD2 ARG A 58 13.350 14.567 25.156 1.00 60.12 H new ATOM 0 HD3 ARG A 58 11.779 14.045 24.581 1.00 60.12 H new ATOM 0 HE ARG A 58 12.696 12.586 26.959 1.00 23.53 H new ATOM 0 HH11 ARG A 58 10.958 15.473 25.819 1.00 1.11 H new ATOM 0 HH12 ARG A 58 10.076 15.672 27.337 1.00 1.11 H new ATOM 0 HH21 ARG A 58 11.506 12.840 28.869 1.00 71.21 H new ATOM 0 HH22 ARG A 58 10.384 14.193 29.048 1.00 71.21 H new ATOM 961 N SER A 59 10.331 11.805 23.208 1.00 34.21 N ATOM 962 CA SER A 59 9.379 10.756 23.608 1.00 61.13 C ATOM 963 C SER A 59 8.422 10.414 22.443 1.00 34.11 C ATOM 964 O SER A 59 8.239 9.243 22.083 1.00 64.30 O ATOM 965 CB SER A 59 8.598 11.234 24.851 1.00 63.25 C ATOM 966 OG SER A 59 9.484 11.593 25.903 1.00 35.43 O ATOM 0 H SER A 59 10.169 12.701 23.667 1.00 34.21 H new ATOM 0 HA SER A 59 9.923 9.845 23.858 1.00 61.13 H new ATOM 0 HB2 SER A 59 7.976 12.089 24.587 1.00 63.25 H new ATOM 0 HB3 SER A 59 7.927 10.444 25.189 1.00 63.25 H new ATOM 0 HG SER A 59 8.966 11.894 26.679 1.00 35.43 H new ATOM 972 N ILE A 60 7.864 11.473 21.840 1.00 2.03 N ATOM 973 CA ILE A 60 6.933 11.375 20.703 1.00 51.54 C ATOM 974 C ILE A 60 7.667 10.883 19.447 1.00 63.44 C ATOM 975 O ILE A 60 7.152 10.051 18.702 1.00 35.24 O ATOM 976 CB ILE A 60 6.256 12.768 20.428 1.00 52.20 C ATOM 977 CG1 ILE A 60 5.394 13.199 21.655 1.00 42.33 C ATOM 978 CG2 ILE A 60 5.414 12.757 19.126 1.00 43.40 C ATOM 979 CD1 ILE A 60 4.843 14.608 21.571 1.00 61.42 C ATOM 0 H ILE A 60 8.047 12.434 22.130 1.00 2.03 H new ATOM 0 HA ILE A 60 6.156 10.653 20.955 1.00 51.54 H new ATOM 0 HB ILE A 60 7.048 13.502 20.283 1.00 52.20 H new ATOM 0 HG12 ILE A 60 4.562 12.503 21.761 1.00 42.33 H new ATOM 0 HG13 ILE A 60 6.000 13.112 22.557 1.00 42.33 H new ATOM 0 HG21 ILE A 60 4.965 13.739 18.975 1.00 43.40 H new ATOM 0 HG22 ILE A 60 6.057 12.518 18.279 1.00 43.40 H new ATOM 0 HG23 ILE A 60 4.628 12.007 19.208 1.00 43.40 H new ATOM 0 HD11 ILE A 60 4.257 14.823 22.464 1.00 61.42 H new ATOM 0 HD12 ILE A 60 5.667 15.317 21.498 1.00 61.42 H new ATOM 0 HD13 ILE A 60 4.208 14.698 20.690 1.00 61.42 H new ATOM 991 N GLN A 61 8.890 11.402 19.264 1.00 73.52 N ATOM 992 CA GLN A 61 9.779 11.068 18.138 1.00 31.35 C ATOM 993 C GLN A 61 10.142 9.574 18.152 1.00 50.34 C ATOM 994 O GLN A 61 10.242 8.938 17.101 1.00 23.33 O ATOM 995 CB GLN A 61 11.040 11.961 18.229 1.00 23.21 C ATOM 996 CG GLN A 61 12.115 11.724 17.158 1.00 34.12 C ATOM 997 CD GLN A 61 13.307 12.677 17.281 1.00 3.31 C ATOM 998 OE1 GLN A 61 13.633 13.149 18.374 1.00 50.32 O ATOM 999 NE2 GLN A 61 13.991 12.941 16.177 1.00 61.11 N ATOM 0 H GLN A 61 9.299 12.080 19.907 1.00 73.52 H new ATOM 0 HA GLN A 61 9.271 11.259 17.193 1.00 31.35 H new ATOM 0 HB2 GLN A 61 10.727 13.004 18.176 1.00 23.21 H new ATOM 0 HB3 GLN A 61 11.494 11.815 19.209 1.00 23.21 H new ATOM 0 HG2 GLN A 61 12.471 10.696 17.230 1.00 34.12 H new ATOM 0 HG3 GLN A 61 11.667 11.838 16.171 1.00 34.12 H new ATOM 0 HE21 GLN A 61 13.699 12.537 15.287 1.00 61.11 H new ATOM 0 HE22 GLN A 61 14.810 13.548 16.217 1.00 61.11 H new ATOM 1008 N ASP A 62 10.304 9.027 19.369 1.00 52.22 N ATOM 1009 CA ASP A 62 10.596 7.599 19.575 1.00 34.41 C ATOM 1010 C ASP A 62 9.347 6.738 19.273 1.00 51.41 C ATOM 1011 O ASP A 62 9.473 5.670 18.661 1.00 30.03 O ATOM 1012 CB ASP A 62 11.107 7.364 21.019 1.00 24.41 C ATOM 1013 CG ASP A 62 11.572 5.915 21.284 1.00 3.32 C ATOM 1014 OD1 ASP A 62 10.932 5.195 22.085 1.00 40.04 O ATOM 1015 OD2 ASP A 62 12.583 5.486 20.690 1.00 22.43 O ATOM 0 H ASP A 62 10.236 9.561 20.235 1.00 52.22 H new ATOM 0 HA ASP A 62 11.381 7.295 18.882 1.00 34.41 H new ATOM 0 HB2 ASP A 62 11.935 8.044 21.217 1.00 24.41 H new ATOM 0 HB3 ASP A 62 10.313 7.616 21.722 1.00 24.41 H new ATOM 1020 N MET A 63 8.139 7.230 19.682 1.00 75.14 N ATOM 1021 CA MET A 63 6.847 6.548 19.382 1.00 22.31 C ATOM 1022 C MET A 63 6.674 6.383 17.871 1.00 23.21 C ATOM 1023 O MET A 63 6.485 5.269 17.366 1.00 45.02 O ATOM 1024 CB MET A 63 5.597 7.310 19.938 1.00 51.31 C ATOM 1025 CG MET A 63 5.518 7.445 21.459 1.00 42.15 C ATOM 1026 SD MET A 63 3.903 8.029 22.040 1.00 31.35 S ATOM 1027 CE MET A 63 3.682 9.542 21.109 1.00 71.12 C ATOM 0 H MET A 63 8.036 8.092 20.217 1.00 75.14 H new ATOM 0 HA MET A 63 6.899 5.581 19.881 1.00 22.31 H new ATOM 0 HB2 MET A 63 5.582 8.309 19.503 1.00 51.31 H new ATOM 0 HB3 MET A 63 4.700 6.798 19.591 1.00 51.31 H new ATOM 0 HG2 MET A 63 5.733 6.479 21.915 1.00 42.15 H new ATOM 0 HG3 MET A 63 6.290 8.136 21.797 1.00 42.15 H new ATOM 0 HE1 MET A 63 2.656 9.893 21.223 1.00 71.12 H new ATOM 0 HE2 MET A 63 4.369 10.302 21.481 1.00 71.12 H new ATOM 0 HE3 MET A 63 3.885 9.354 20.055 1.00 71.12 H new ATOM 1037 N VAL A 64 6.778 7.509 17.162 1.00 1.12 N ATOM 1038 CA VAL A 64 6.502 7.567 15.725 1.00 1.14 C ATOM 1039 C VAL A 64 7.623 6.941 14.899 1.00 44.45 C ATOM 1040 O VAL A 64 7.363 6.475 13.814 1.00 31.51 O ATOM 1041 CB VAL A 64 6.194 9.020 15.250 1.00 30.23 C ATOM 1042 CG1 VAL A 64 4.952 9.585 15.993 1.00 62.51 C ATOM 1043 CG2 VAL A 64 7.428 9.924 15.410 1.00 30.12 C ATOM 0 H VAL A 64 7.055 8.404 17.566 1.00 1.12 H new ATOM 0 HA VAL A 64 5.605 6.971 15.557 1.00 1.14 H new ATOM 0 HB VAL A 64 5.954 8.996 14.187 1.00 30.23 H new ATOM 0 HG11 VAL A 64 4.752 10.600 15.649 1.00 62.51 H new ATOM 0 HG12 VAL A 64 4.087 8.955 15.787 1.00 62.51 H new ATOM 0 HG13 VAL A 64 5.144 9.597 17.066 1.00 62.51 H new ATOM 0 HG21 VAL A 64 7.187 10.932 15.072 1.00 30.12 H new ATOM 0 HG22 VAL A 64 7.723 9.954 16.459 1.00 30.12 H new ATOM 0 HG23 VAL A 64 8.249 9.528 14.813 1.00 30.12 H new ATOM 1053 N ALA A 65 8.860 6.909 15.430 1.00 3.40 N ATOM 1054 CA ALA A 65 9.958 6.143 14.800 1.00 51.31 C ATOM 1055 C ALA A 65 9.619 4.640 14.825 1.00 24.22 C ATOM 1056 O ALA A 65 9.886 3.921 13.865 1.00 61.00 O ATOM 1057 CB ALA A 65 11.296 6.422 15.491 1.00 40.04 C ATOM 0 H ALA A 65 9.125 7.398 16.285 1.00 3.40 H new ATOM 0 HA ALA A 65 10.061 6.463 13.763 1.00 51.31 H new ATOM 0 HB1 ALA A 65 12.083 5.845 15.006 1.00 40.04 H new ATOM 0 HB2 ALA A 65 11.528 7.485 15.419 1.00 40.04 H new ATOM 0 HB3 ALA A 65 11.230 6.135 16.541 1.00 40.04 H new ATOM 1063 N GLY A 66 8.974 4.202 15.931 1.00 62.50 N ATOM 1064 CA GLY A 66 8.425 2.847 16.028 1.00 63.20 C ATOM 1065 C GLY A 66 7.297 2.605 15.026 1.00 72.11 C ATOM 1066 O GLY A 66 7.263 1.565 14.371 1.00 54.34 O ATOM 0 H GLY A 66 8.826 4.773 16.763 1.00 62.50 H new ATOM 0 HA2 GLY A 66 9.221 2.122 15.858 1.00 63.20 H new ATOM 0 HA3 GLY A 66 8.052 2.680 17.039 1.00 63.20 H new ATOM 1070 N TYR A 67 6.399 3.605 14.879 1.00 22.42 N ATOM 1071 CA TYR A 67 5.238 3.522 13.967 1.00 44.14 C ATOM 1072 C TYR A 67 5.670 3.505 12.483 1.00 2.30 C ATOM 1073 O TYR A 67 5.063 2.798 11.666 1.00 33.23 O ATOM 1074 CB TYR A 67 4.251 4.695 14.203 1.00 25.23 C ATOM 1075 CG TYR A 67 3.550 4.702 15.577 1.00 1.31 C ATOM 1076 CD1 TYR A 67 3.443 5.875 16.331 1.00 44.50 C ATOM 1077 CD2 TYR A 67 2.991 3.539 16.113 1.00 1.01 C ATOM 1078 CE1 TYR A 67 2.807 5.890 17.557 1.00 64.11 C ATOM 1079 CE2 TYR A 67 2.353 3.549 17.340 1.00 4.24 C ATOM 1080 CZ TYR A 67 2.266 4.727 18.058 1.00 12.11 C ATOM 1081 OH TYR A 67 1.627 4.737 19.283 1.00 30.11 O ATOM 0 H TYR A 67 6.459 4.488 15.387 1.00 22.42 H new ATOM 0 HA TYR A 67 4.735 2.581 14.191 1.00 44.14 H new ATOM 0 HB2 TYR A 67 4.793 5.633 14.086 1.00 25.23 H new ATOM 0 HB3 TYR A 67 3.488 4.668 13.425 1.00 25.23 H new ATOM 0 HD1 TYR A 67 3.867 6.790 15.946 1.00 44.50 H new ATOM 0 HD2 TYR A 67 3.058 2.615 15.559 1.00 1.01 H new ATOM 0 HE1 TYR A 67 2.734 6.809 18.120 1.00 64.11 H new ATOM 0 HE2 TYR A 67 1.924 2.640 17.736 1.00 4.24 H new ATOM 0 HH TYR A 67 1.302 3.836 19.490 1.00 30.11 H new ATOM 1091 N ILE A 68 6.721 4.288 12.145 1.00 62.41 N ATOM 1092 CA ILE A 68 7.258 4.353 10.770 1.00 51.11 C ATOM 1093 C ILE A 68 7.997 3.042 10.462 1.00 30.22 C ATOM 1094 O ILE A 68 7.887 2.511 9.368 1.00 71.32 O ATOM 1095 CB ILE A 68 8.216 5.587 10.512 1.00 14.04 C ATOM 1096 CG1 ILE A 68 7.504 6.938 10.819 1.00 62.12 C ATOM 1097 CG2 ILE A 68 8.721 5.589 9.045 1.00 30.11 C ATOM 1098 CD1 ILE A 68 8.394 8.174 10.744 1.00 35.53 C ATOM 0 H ILE A 68 7.214 4.884 12.810 1.00 62.41 H new ATOM 0 HA ILE A 68 6.408 4.492 10.103 1.00 51.11 H new ATOM 0 HB ILE A 68 9.065 5.484 11.187 1.00 14.04 H new ATOM 0 HG12 ILE A 68 6.678 7.062 10.119 1.00 62.12 H new ATOM 0 HG13 ILE A 68 7.070 6.883 11.817 1.00 62.12 H new ATOM 0 HG21 ILE A 68 9.378 6.445 8.887 1.00 30.11 H new ATOM 0 HG22 ILE A 68 9.271 4.668 8.848 1.00 30.11 H new ATOM 0 HG23 ILE A 68 7.870 5.655 8.367 1.00 30.11 H new ATOM 0 HD11 ILE A 68 7.804 9.061 10.974 1.00 35.53 H new ATOM 0 HD12 ILE A 68 9.207 8.082 11.465 1.00 35.53 H new ATOM 0 HD13 ILE A 68 8.808 8.264 9.740 1.00 35.53 H new ATOM 1110 N LYS A 69 8.717 2.518 11.462 1.00 42.12 N ATOM 1111 CA LYS A 69 9.389 1.209 11.367 1.00 22.02 C ATOM 1112 C LYS A 69 8.364 0.086 11.083 1.00 21.33 C ATOM 1113 O LYS A 69 8.643 -0.824 10.288 1.00 21.24 O ATOM 1114 CB LYS A 69 10.164 0.925 12.672 1.00 72.12 C ATOM 1115 CG LYS A 69 10.898 -0.433 12.719 1.00 43.01 C ATOM 1116 CD LYS A 69 11.539 -0.707 14.098 1.00 44.32 C ATOM 1117 CE LYS A 69 10.501 -0.720 15.229 1.00 70.54 C ATOM 1118 NZ LYS A 69 11.118 -0.987 16.553 1.00 71.10 N ATOM 0 H LYS A 69 8.852 2.985 12.359 1.00 42.12 H new ATOM 0 HA LYS A 69 10.094 1.234 10.536 1.00 22.02 H new ATOM 0 HB2 LYS A 69 10.894 1.720 12.822 1.00 72.12 H new ATOM 0 HB3 LYS A 69 9.466 0.972 13.508 1.00 72.12 H new ATOM 0 HG2 LYS A 69 10.195 -1.232 12.483 1.00 43.01 H new ATOM 0 HG3 LYS A 69 11.672 -0.452 11.951 1.00 43.01 H new ATOM 0 HD2 LYS A 69 12.057 -1.666 14.072 1.00 44.32 H new ATOM 0 HD3 LYS A 69 12.290 0.055 14.305 1.00 44.32 H new ATOM 0 HE2 LYS A 69 9.985 0.240 15.257 1.00 70.54 H new ATOM 0 HE3 LYS A 69 9.748 -1.481 15.021 1.00 70.54 H new ATOM 0 HZ1 LYS A 69 10.380 -0.987 17.286 1.00 71.10 H new ATOM 0 HZ2 LYS A 69 11.589 -1.914 16.536 1.00 71.10 H new ATOM 0 HZ3 LYS A 69 11.818 -0.247 16.765 1.00 71.10 H new ATOM 1132 N GLN A 70 7.168 0.186 11.713 1.00 45.23 N ATOM 1133 CA GLN A 70 6.070 -0.773 11.487 1.00 71.11 C ATOM 1134 C GLN A 70 5.591 -0.713 10.032 1.00 12.53 C ATOM 1135 O GLN A 70 5.565 -1.739 9.342 1.00 70.12 O ATOM 1136 CB GLN A 70 4.869 -0.524 12.437 1.00 24.14 C ATOM 1137 CG GLN A 70 5.119 -0.854 13.922 1.00 11.03 C ATOM 1138 CD GLN A 70 3.838 -0.881 14.777 1.00 3.33 C ATOM 1139 OE1 GLN A 70 2.720 -1.326 14.199 1.00 50.00 O flip ATOM 1140 NE2 GLN A 70 3.852 -0.532 15.958 1.00 31.32 N flip ATOM 0 H GLN A 70 6.944 0.923 12.381 1.00 45.23 H new ATOM 0 HA GLN A 70 6.469 -1.764 11.701 1.00 71.11 H new ATOM 0 HB2 GLN A 70 4.578 0.524 12.359 1.00 24.14 H new ATOM 0 HB3 GLN A 70 4.023 -1.117 12.088 1.00 24.14 H new ATOM 0 HG2 GLN A 70 5.611 -1.824 13.991 1.00 11.03 H new ATOM 0 HG3 GLN A 70 5.807 -0.117 14.338 1.00 11.03 H new ATOM 0 HE21 GLN A 70 4.717 -0.195 16.380 1.00 31.32 H new ATOM 0 HE22 GLN A 70 2.998 -0.580 16.514 1.00 31.32 H new ATOM 1149 N THR A 71 5.251 0.505 9.569 1.00 14.12 N ATOM 1150 CA THR A 71 4.688 0.703 8.229 1.00 42.44 C ATOM 1151 C THR A 71 5.717 0.354 7.139 1.00 23.54 C ATOM 1152 O THR A 71 5.344 -0.143 6.100 1.00 51.43 O ATOM 1153 CB THR A 71 4.111 2.149 8.024 1.00 72.50 C ATOM 1154 OG1 THR A 71 3.383 2.231 6.795 1.00 35.43 O ATOM 1155 CG2 THR A 71 5.178 3.247 8.012 1.00 75.20 C ATOM 0 H THR A 71 5.358 1.365 10.107 1.00 14.12 H new ATOM 0 HA THR A 71 3.847 0.016 8.137 1.00 42.44 H new ATOM 0 HB THR A 71 3.463 2.320 8.883 1.00 72.50 H new ATOM 0 HG1 THR A 71 3.305 3.169 6.523 1.00 35.43 H new ATOM 0 HG21 THR A 71 4.701 4.216 7.866 1.00 75.20 H new ATOM 0 HG22 THR A 71 5.713 3.245 8.962 1.00 75.20 H new ATOM 0 HG23 THR A 71 5.881 3.062 7.200 1.00 75.20 H new ATOM 1163 N LEU A 72 7.022 0.557 7.427 1.00 10.13 N ATOM 1164 CA LEU A 72 8.114 0.204 6.492 1.00 41.41 C ATOM 1165 C LEU A 72 8.228 -1.310 6.319 1.00 14.35 C ATOM 1166 O LEU A 72 8.364 -1.793 5.203 1.00 22.23 O ATOM 1167 CB LEU A 72 9.475 0.776 6.969 1.00 32.24 C ATOM 1168 CG LEU A 72 9.640 2.317 6.849 1.00 3.12 C ATOM 1169 CD1 LEU A 72 10.976 2.778 7.460 1.00 1.14 C ATOM 1170 CD2 LEU A 72 9.493 2.767 5.384 1.00 73.14 C ATOM 0 H LEU A 72 7.346 0.965 8.304 1.00 10.13 H new ATOM 0 HA LEU A 72 7.864 0.651 5.530 1.00 41.41 H new ATOM 0 HB2 LEU A 72 9.621 0.494 8.012 1.00 32.24 H new ATOM 0 HB3 LEU A 72 10.270 0.299 6.395 1.00 32.24 H new ATOM 0 HG LEU A 72 8.844 2.795 7.420 1.00 3.12 H new ATOM 0 HD11 LEU A 72 11.066 3.860 7.363 1.00 1.14 H new ATOM 0 HD12 LEU A 72 11.007 2.504 8.515 1.00 1.14 H new ATOM 0 HD13 LEU A 72 11.801 2.296 6.936 1.00 1.14 H new ATOM 0 HD21 LEU A 72 9.612 3.849 5.322 1.00 73.14 H new ATOM 0 HD22 LEU A 72 10.257 2.283 4.776 1.00 73.14 H new ATOM 0 HD23 LEU A 72 8.506 2.489 5.015 1.00 73.14 H new ATOM 1182 N ASP A 73 8.189 -2.036 7.448 1.00 54.23 N ATOM 1183 CA ASP A 73 8.270 -3.510 7.467 1.00 43.13 C ATOM 1184 C ASP A 73 7.097 -4.115 6.679 1.00 74.31 C ATOM 1185 O ASP A 73 7.292 -4.904 5.749 1.00 42.35 O ATOM 1186 CB ASP A 73 8.261 -4.022 8.935 1.00 41.13 C ATOM 1187 CG ASP A 73 8.095 -5.557 9.062 1.00 63.14 C ATOM 1188 OD1 ASP A 73 6.952 -6.035 9.267 1.00 24.12 O ATOM 1189 OD2 ASP A 73 9.104 -6.292 8.978 1.00 35.13 O ATOM 0 H ASP A 73 8.100 -1.620 8.375 1.00 54.23 H new ATOM 0 HA ASP A 73 9.201 -3.821 6.994 1.00 43.13 H new ATOM 0 HB2 ASP A 73 9.192 -3.726 9.419 1.00 41.13 H new ATOM 0 HB3 ASP A 73 7.451 -3.533 9.475 1.00 41.13 H new ATOM 1194 N ASN A 74 5.878 -3.676 7.036 1.00 13.34 N ATOM 1195 CA ASN A 74 4.633 -4.223 6.483 1.00 62.31 C ATOM 1196 C ASN A 74 4.490 -3.886 4.992 1.00 22.25 C ATOM 1197 O ASN A 74 4.113 -4.740 4.198 1.00 54.45 O ATOM 1198 CB ASN A 74 3.409 -3.708 7.280 1.00 54.45 C ATOM 1199 CG ASN A 74 3.443 -4.046 8.783 1.00 52.13 C ATOM 1200 OD1 ASN A 74 4.068 -5.156 9.158 1.00 54.33 O flip ATOM 1201 ND2 ASN A 74 2.912 -3.308 9.610 1.00 1.44 N flip ATOM 0 H ASN A 74 5.731 -2.931 7.717 1.00 13.34 H new ATOM 0 HA ASN A 74 4.675 -5.308 6.577 1.00 62.31 H new ATOM 0 HB2 ASN A 74 3.344 -2.626 7.164 1.00 54.45 H new ATOM 0 HB3 ASN A 74 2.503 -4.130 6.845 1.00 54.45 H new ATOM 0 HD21 ASN A 74 2.436 -2.459 9.305 1.00 1.44 H new ATOM 0 HD22 ASN A 74 2.947 -3.544 10.602 1.00 1.44 H new ATOM 1208 N GLU A 75 4.837 -2.645 4.624 1.00 23.14 N ATOM 1209 CA GLU A 75 4.714 -2.135 3.242 1.00 23.34 C ATOM 1210 C GLU A 75 5.857 -2.653 2.345 1.00 24.15 C ATOM 1211 O GLU A 75 5.725 -2.683 1.121 1.00 23.44 O ATOM 1212 CB GLU A 75 4.630 -0.595 3.297 1.00 4.14 C ATOM 1213 CG GLU A 75 4.340 0.136 1.983 1.00 5.02 C ATOM 1214 CD GLU A 75 3.970 1.615 2.205 1.00 22.31 C ATOM 1215 OE1 GLU A 75 2.793 1.987 1.987 1.00 41.44 O ATOM 1216 OE2 GLU A 75 4.831 2.397 2.639 1.00 55.25 O ATOM 0 H GLU A 75 5.214 -1.959 5.278 1.00 23.14 H new ATOM 0 HA GLU A 75 3.801 -2.511 2.781 1.00 23.34 H new ATOM 0 HB2 GLU A 75 3.854 -0.324 4.013 1.00 4.14 H new ATOM 0 HB3 GLU A 75 5.574 -0.219 3.692 1.00 4.14 H new ATOM 0 HG2 GLU A 75 5.215 0.076 1.336 1.00 5.02 H new ATOM 0 HG3 GLU A 75 3.524 -0.366 1.463 1.00 5.02 H new ATOM 1223 N GLN A 76 6.968 -3.078 2.975 1.00 51.13 N ATOM 1224 CA GLN A 76 8.061 -3.822 2.294 1.00 45.02 C ATOM 1225 C GLN A 76 7.569 -5.224 1.899 1.00 35.44 C ATOM 1226 O GLN A 76 7.856 -5.722 0.801 1.00 21.51 O ATOM 1227 CB GLN A 76 9.287 -3.921 3.238 1.00 61.33 C ATOM 1228 CG GLN A 76 10.505 -4.695 2.698 1.00 52.44 C ATOM 1229 CD GLN A 76 11.694 -4.740 3.677 1.00 32.34 C ATOM 1230 OE1 GLN A 76 11.419 -4.780 4.981 1.00 11.42 O flip ATOM 1231 NE2 GLN A 76 12.856 -4.777 3.264 1.00 63.45 N flip ATOM 0 H GLN A 76 7.140 -2.919 3.968 1.00 51.13 H new ATOM 0 HA GLN A 76 8.356 -3.291 1.389 1.00 45.02 H new ATOM 0 HB2 GLN A 76 9.608 -2.910 3.489 1.00 61.33 H new ATOM 0 HB3 GLN A 76 8.966 -4.393 4.167 1.00 61.33 H new ATOM 0 HG2 GLN A 76 10.201 -5.715 2.462 1.00 52.44 H new ATOM 0 HG3 GLN A 76 10.831 -4.236 1.765 1.00 52.44 H new ATOM 0 HE21 GLN A 76 13.042 -4.745 2.262 1.00 63.45 H new ATOM 0 HE22 GLN A 76 13.630 -4.840 3.925 1.00 63.45 H new ATOM 1240 N LEU A 77 6.798 -5.841 2.809 1.00 44.40 N ATOM 1241 CA LEU A 77 6.184 -7.159 2.585 1.00 51.43 C ATOM 1242 C LEU A 77 5.019 -7.054 1.584 1.00 51.11 C ATOM 1243 O LEU A 77 4.793 -7.974 0.806 1.00 0.21 O ATOM 1244 CB LEU A 77 5.731 -7.773 3.934 1.00 32.33 C ATOM 1245 CG LEU A 77 6.868 -8.028 4.971 1.00 43.15 C ATOM 1246 CD1 LEU A 77 6.313 -8.574 6.304 1.00 65.13 C ATOM 1247 CD2 LEU A 77 7.954 -8.952 4.378 1.00 71.14 C ATOM 0 H LEU A 77 6.583 -5.439 3.722 1.00 44.40 H new ATOM 0 HA LEU A 77 6.926 -7.826 2.147 1.00 51.43 H new ATOM 0 HB2 LEU A 77 4.993 -7.110 4.386 1.00 32.33 H new ATOM 0 HB3 LEU A 77 5.228 -8.719 3.732 1.00 32.33 H new ATOM 0 HG LEU A 77 7.336 -7.070 5.196 1.00 43.15 H new ATOM 0 HD11 LEU A 77 7.135 -8.739 7.000 1.00 65.13 H new ATOM 0 HD12 LEU A 77 5.616 -7.853 6.730 1.00 65.13 H new ATOM 0 HD13 LEU A 77 5.796 -9.516 6.124 1.00 65.13 H new ATOM 0 HD21 LEU A 77 8.737 -9.116 5.119 1.00 71.14 H new ATOM 0 HD22 LEU A 77 7.508 -9.908 4.104 1.00 71.14 H new ATOM 0 HD23 LEU A 77 8.385 -8.485 3.492 1.00 71.14 H new ATOM 1259 N LEU A 78 4.303 -5.906 1.599 1.00 1.51 N ATOM 1260 CA LEU A 78 3.276 -5.582 0.581 1.00 62.32 C ATOM 1261 C LEU A 78 3.938 -5.396 -0.785 1.00 33.53 C ATOM 1262 O LEU A 78 3.388 -5.801 -1.800 1.00 24.04 O ATOM 1263 CB LEU A 78 2.503 -4.277 0.930 1.00 75.21 C ATOM 1264 CG LEU A 78 1.627 -4.285 2.215 1.00 54.02 C ATOM 1265 CD1 LEU A 78 1.121 -2.856 2.523 1.00 74.24 C ATOM 1266 CD2 LEU A 78 0.462 -5.293 2.095 1.00 4.00 C ATOM 0 H LEU A 78 4.419 -5.184 2.310 1.00 1.51 H new ATOM 0 HA LEU A 78 2.571 -6.413 0.561 1.00 62.32 H new ATOM 0 HB2 LEU A 78 3.230 -3.470 1.023 1.00 75.21 H new ATOM 0 HB3 LEU A 78 1.859 -4.031 0.085 1.00 75.21 H new ATOM 0 HG LEU A 78 2.242 -4.614 3.053 1.00 54.02 H new ATOM 0 HD11 LEU A 78 0.509 -2.873 3.425 1.00 74.24 H new ATOM 0 HD12 LEU A 78 1.973 -2.193 2.675 1.00 74.24 H new ATOM 0 HD13 LEU A 78 0.524 -2.493 1.686 1.00 74.24 H new ATOM 0 HD21 LEU A 78 -0.131 -5.274 3.009 1.00 4.00 H new ATOM 0 HD22 LEU A 78 -0.168 -5.022 1.248 1.00 4.00 H new ATOM 0 HD23 LEU A 78 0.862 -6.295 1.943 1.00 4.00 H new ATOM 1278 N LYS A 79 5.132 -4.769 -0.785 1.00 62.34 N ATOM 1279 CA LYS A 79 5.875 -4.478 -2.016 1.00 71.12 C ATOM 1280 C LYS A 79 6.181 -5.777 -2.764 1.00 45.03 C ATOM 1281 O LYS A 79 5.741 -5.953 -3.895 1.00 44.23 O ATOM 1282 CB LYS A 79 7.185 -3.702 -1.729 1.00 73.02 C ATOM 1283 CG LYS A 79 7.954 -3.301 -3.004 1.00 40.21 C ATOM 1284 CD LYS A 79 9.287 -2.582 -2.720 1.00 34.54 C ATOM 1285 CE LYS A 79 10.074 -2.308 -4.012 1.00 33.50 C ATOM 1286 NZ LYS A 79 9.334 -1.403 -4.939 1.00 13.33 N ATOM 0 H LYS A 79 5.601 -4.454 0.065 1.00 62.34 H new ATOM 0 HA LYS A 79 5.247 -3.841 -2.640 1.00 71.12 H new ATOM 0 HB2 LYS A 79 6.948 -2.803 -1.159 1.00 73.02 H new ATOM 0 HB3 LYS A 79 7.832 -4.316 -1.102 1.00 73.02 H new ATOM 0 HG2 LYS A 79 8.152 -4.195 -3.595 1.00 40.21 H new ATOM 0 HG3 LYS A 79 7.322 -2.651 -3.610 1.00 40.21 H new ATOM 0 HD2 LYS A 79 9.090 -1.640 -2.208 1.00 34.54 H new ATOM 0 HD3 LYS A 79 9.892 -3.190 -2.048 1.00 34.54 H new ATOM 0 HE2 LYS A 79 11.036 -1.862 -3.762 1.00 33.50 H new ATOM 0 HE3 LYS A 79 10.282 -3.252 -4.516 1.00 33.50 H new ATOM 0 HZ1 LYS A 79 9.797 -1.406 -5.870 1.00 13.33 H new ATOM 0 HZ2 LYS A 79 8.353 -1.735 -5.039 1.00 13.33 H new ATOM 0 HZ3 LYS A 79 9.335 -0.436 -4.555 1.00 13.33 H new ATOM 1300 N GLY A 80 6.887 -6.694 -2.082 1.00 34.53 N ATOM 1301 CA GLY A 80 7.257 -7.982 -2.664 1.00 73.31 C ATOM 1302 C GLY A 80 6.049 -8.838 -3.051 1.00 1.24 C ATOM 1303 O GLY A 80 5.968 -9.320 -4.182 1.00 11.01 O ATOM 0 H GLY A 80 7.211 -6.560 -1.124 1.00 34.53 H new ATOM 0 HA2 GLY A 80 7.871 -7.811 -3.548 1.00 73.31 H new ATOM 0 HA3 GLY A 80 7.871 -8.533 -1.951 1.00 73.31 H new ATOM 1307 N LEU A 81 5.088 -8.969 -2.113 1.00 4.32 N ATOM 1308 CA LEU A 81 3.917 -9.863 -2.257 1.00 53.40 C ATOM 1309 C LEU A 81 3.021 -9.396 -3.417 1.00 33.22 C ATOM 1310 O LEU A 81 2.779 -10.164 -4.355 1.00 60.54 O ATOM 1311 CB LEU A 81 3.146 -9.921 -0.898 1.00 42.13 C ATOM 1312 CG LEU A 81 2.086 -11.066 -0.671 1.00 44.15 C ATOM 1313 CD1 LEU A 81 1.754 -11.204 0.830 1.00 11.12 C ATOM 1314 CD2 LEU A 81 0.777 -10.850 -1.464 1.00 74.14 C ATOM 0 H LEU A 81 5.101 -8.457 -1.231 1.00 4.32 H new ATOM 0 HA LEU A 81 4.247 -10.872 -2.503 1.00 53.40 H new ATOM 0 HB2 LEU A 81 3.887 -9.995 -0.102 1.00 42.13 H new ATOM 0 HB3 LEU A 81 2.634 -8.968 -0.769 1.00 42.13 H new ATOM 0 HG LEU A 81 2.546 -11.982 -1.043 1.00 44.15 H new ATOM 0 HD11 LEU A 81 1.021 -11.999 0.969 1.00 11.12 H new ATOM 0 HD12 LEU A 81 2.662 -11.447 1.383 1.00 11.12 H new ATOM 0 HD13 LEU A 81 1.345 -10.264 1.200 1.00 11.12 H new ATOM 0 HD21 LEU A 81 0.090 -11.673 -1.264 1.00 74.14 H new ATOM 0 HD22 LEU A 81 0.317 -9.910 -1.158 1.00 74.14 H new ATOM 0 HD23 LEU A 81 0.999 -10.814 -2.530 1.00 74.14 H new ATOM 1326 N LEU A 82 2.559 -8.131 -3.355 1.00 11.31 N ATOM 1327 CA LEU A 82 1.630 -7.570 -4.355 1.00 60.12 C ATOM 1328 C LEU A 82 2.299 -7.445 -5.738 1.00 55.14 C ATOM 1329 O LEU A 82 1.616 -7.543 -6.746 1.00 73.33 O ATOM 1330 CB LEU A 82 1.062 -6.194 -3.897 1.00 2.41 C ATOM 1331 CG LEU A 82 0.305 -6.174 -2.528 1.00 23.13 C ATOM 1332 CD1 LEU A 82 -0.225 -4.758 -2.199 1.00 64.20 C ATOM 1333 CD2 LEU A 82 -0.820 -7.220 -2.500 1.00 34.05 C ATOM 0 H LEU A 82 2.817 -7.475 -2.617 1.00 11.31 H new ATOM 0 HA LEU A 82 0.797 -8.267 -4.444 1.00 60.12 H new ATOM 0 HB2 LEU A 82 1.888 -5.485 -3.841 1.00 2.41 H new ATOM 0 HB3 LEU A 82 0.383 -5.831 -4.668 1.00 2.41 H new ATOM 0 HG LEU A 82 1.019 -6.442 -1.749 1.00 23.13 H new ATOM 0 HD11 LEU A 82 -0.746 -4.778 -1.242 1.00 64.20 H new ATOM 0 HD12 LEU A 82 0.611 -4.061 -2.143 1.00 64.20 H new ATOM 0 HD13 LEU A 82 -0.914 -4.437 -2.980 1.00 64.20 H new ATOM 0 HD21 LEU A 82 -1.328 -7.182 -1.536 1.00 34.05 H new ATOM 0 HD22 LEU A 82 -1.534 -7.007 -3.295 1.00 34.05 H new ATOM 0 HD23 LEU A 82 -0.397 -8.213 -2.649 1.00 34.05 H new ATOM 1345 N GLN A 83 3.635 -7.244 -5.775 1.00 72.40 N ATOM 1346 CA GLN A 83 4.409 -7.197 -7.048 1.00 55.21 C ATOM 1347 C GLN A 83 4.384 -8.563 -7.758 1.00 44.32 C ATOM 1348 O GLN A 83 4.220 -8.638 -8.986 1.00 1.41 O ATOM 1349 CB GLN A 83 5.862 -6.752 -6.760 1.00 12.32 C ATOM 1350 CG GLN A 83 6.772 -6.548 -7.987 1.00 30.14 C ATOM 1351 CD GLN A 83 8.175 -6.027 -7.636 1.00 20.51 C ATOM 1352 OE1 GLN A 83 8.702 -6.410 -6.469 1.00 23.32 O flip ATOM 1353 NE2 GLN A 83 8.793 -5.299 -8.417 1.00 23.44 N flip ATOM 0 H GLN A 83 4.206 -7.111 -4.940 1.00 72.40 H new ATOM 0 HA GLN A 83 3.944 -6.471 -7.715 1.00 55.21 H new ATOM 0 HB2 GLN A 83 5.828 -5.817 -6.200 1.00 12.32 H new ATOM 0 HB3 GLN A 83 6.325 -7.496 -6.111 1.00 12.32 H new ATOM 0 HG2 GLN A 83 6.868 -7.495 -8.518 1.00 30.14 H new ATOM 0 HG3 GLN A 83 6.294 -5.846 -8.670 1.00 30.14 H new ATOM 0 HE21 GLN A 83 8.367 -5.022 -9.301 1.00 23.44 H new ATOM 0 HE22 GLN A 83 9.730 -4.974 -8.178 1.00 23.44 H new ATOM 1362 N GLN A 84 4.522 -9.643 -6.956 1.00 5.14 N ATOM 1363 CA GLN A 84 4.411 -11.031 -7.452 1.00 42.11 C ATOM 1364 C GLN A 84 2.992 -11.293 -7.964 1.00 34.12 C ATOM 1365 O GLN A 84 2.812 -11.854 -9.047 1.00 32.32 O ATOM 1366 CB GLN A 84 4.767 -12.049 -6.343 1.00 54.42 C ATOM 1367 CG GLN A 84 6.225 -11.977 -5.848 1.00 71.34 C ATOM 1368 CD GLN A 84 6.568 -12.980 -4.740 1.00 1.00 C ATOM 1369 OE1 GLN A 84 7.390 -12.699 -3.865 1.00 75.21 O ATOM 1370 NE2 GLN A 84 5.979 -14.171 -4.782 1.00 2.41 N ATOM 0 H GLN A 84 4.712 -9.577 -5.956 1.00 5.14 H new ATOM 0 HA GLN A 84 5.120 -11.156 -8.271 1.00 42.11 H new ATOM 0 HB2 GLN A 84 4.101 -11.890 -5.495 1.00 54.42 H new ATOM 0 HB3 GLN A 84 4.573 -13.055 -6.716 1.00 54.42 H new ATOM 0 HG2 GLN A 84 6.892 -12.146 -6.694 1.00 71.34 H new ATOM 0 HG3 GLN A 84 6.423 -10.969 -5.483 1.00 71.34 H new ATOM 0 HE21 GLN A 84 5.302 -14.380 -5.516 1.00 2.41 H new ATOM 0 HE22 GLN A 84 6.204 -14.876 -4.080 1.00 2.41 H new ATOM 1379 N ARG A 85 1.995 -10.838 -7.175 1.00 11.45 N ATOM 1380 CA ARG A 85 0.574 -10.984 -7.511 1.00 22.31 C ATOM 1381 C ARG A 85 0.268 -10.304 -8.854 1.00 74.44 C ATOM 1382 O ARG A 85 -0.335 -10.912 -9.706 1.00 14.15 O ATOM 1383 CB ARG A 85 -0.326 -10.387 -6.403 1.00 31.12 C ATOM 1384 CG ARG A 85 -0.218 -11.051 -5.011 1.00 10.03 C ATOM 1385 CD ARG A 85 -0.903 -12.431 -4.899 1.00 1.02 C ATOM 1386 NE ARG A 85 -0.130 -13.558 -5.457 1.00 35.05 N ATOM 1387 CZ ARG A 85 -0.021 -14.781 -4.880 1.00 10.33 C ATOM 1388 NH1 ARG A 85 -0.607 -15.048 -3.706 1.00 72.12 N ATOM 1389 NH2 ARG A 85 0.641 -15.751 -5.499 1.00 5.12 N ATOM 0 H ARG A 85 2.159 -10.360 -6.289 1.00 11.45 H new ATOM 0 HA ARG A 85 0.359 -12.049 -7.592 1.00 22.31 H new ATOM 0 HB2 ARG A 85 -0.086 -9.329 -6.298 1.00 31.12 H new ATOM 0 HB3 ARG A 85 -1.363 -10.448 -6.733 1.00 31.12 H new ATOM 0 HG2 ARG A 85 0.836 -11.162 -4.757 1.00 10.03 H new ATOM 0 HG3 ARG A 85 -0.655 -10.382 -4.270 1.00 10.03 H new ATOM 0 HD2 ARG A 85 -1.106 -12.635 -3.848 1.00 1.02 H new ATOM 0 HD3 ARG A 85 -1.866 -12.384 -5.407 1.00 1.02 H new ATOM 0 HE ARG A 85 0.357 -13.406 -6.340 1.00 35.05 H new ATOM 0 HH11 ARG A 85 -1.147 -14.326 -3.230 1.00 72.12 H new ATOM 0 HH12 ARG A 85 -0.513 -15.974 -3.288 1.00 72.12 H new ATOM 0 HH21 ARG A 85 1.068 -15.577 -6.409 1.00 5.12 H new ATOM 0 HH22 ARG A 85 0.723 -16.670 -5.065 1.00 5.12 H new ATOM 1403 N LEU A 86 0.751 -9.060 -9.035 1.00 41.21 N ATOM 1404 CA LEU A 86 0.502 -8.254 -10.256 1.00 21.22 C ATOM 1405 C LEU A 86 1.142 -8.891 -11.495 1.00 71.54 C ATOM 1406 O LEU A 86 0.582 -8.819 -12.586 1.00 65.24 O ATOM 1407 CB LEU A 86 1.032 -6.805 -10.082 1.00 71.11 C ATOM 1408 CG LEU A 86 0.267 -5.913 -9.061 1.00 2.04 C ATOM 1409 CD1 LEU A 86 0.943 -4.537 -8.920 1.00 0.43 C ATOM 1410 CD2 LEU A 86 -1.217 -5.775 -9.446 1.00 41.35 C ATOM 0 H LEU A 86 1.326 -8.581 -8.341 1.00 41.21 H new ATOM 0 HA LEU A 86 -0.578 -8.224 -10.404 1.00 21.22 H new ATOM 0 HB2 LEU A 86 2.077 -6.856 -9.777 1.00 71.11 H new ATOM 0 HB3 LEU A 86 1.008 -6.312 -11.054 1.00 71.11 H new ATOM 0 HG LEU A 86 0.307 -6.403 -8.088 1.00 2.04 H new ATOM 0 HD11 LEU A 86 0.390 -3.932 -8.201 1.00 0.43 H new ATOM 0 HD12 LEU A 86 1.967 -4.669 -8.571 1.00 0.43 H new ATOM 0 HD13 LEU A 86 0.951 -4.035 -9.887 1.00 0.43 H new ATOM 0 HD21 LEU A 86 -1.726 -5.147 -8.715 1.00 41.35 H new ATOM 0 HD22 LEU A 86 -1.296 -5.320 -10.433 1.00 41.35 H new ATOM 0 HD23 LEU A 86 -1.682 -6.761 -9.463 1.00 41.35 H new ATOM 1422 N ASP A 87 2.319 -9.503 -11.305 1.00 21.13 N ATOM 1423 CA ASP A 87 3.036 -10.224 -12.374 1.00 53.24 C ATOM 1424 C ASP A 87 2.179 -11.397 -12.901 1.00 70.30 C ATOM 1425 O ASP A 87 1.989 -11.565 -14.121 1.00 10.33 O ATOM 1426 CB ASP A 87 4.408 -10.731 -11.844 1.00 12.14 C ATOM 1427 CG ASP A 87 5.234 -11.492 -12.904 1.00 63.21 C ATOM 1428 OD1 ASP A 87 5.631 -10.873 -13.919 1.00 12.30 O ATOM 1429 OD2 ASP A 87 5.529 -12.693 -12.720 1.00 72.52 O ATOM 0 H ASP A 87 2.803 -9.514 -10.407 1.00 21.13 H new ATOM 0 HA ASP A 87 3.218 -9.541 -13.204 1.00 53.24 H new ATOM 0 HB2 ASP A 87 4.987 -9.880 -11.486 1.00 12.14 H new ATOM 0 HB3 ASP A 87 4.239 -11.385 -10.988 1.00 12.14 H new ATOM 1434 N GLU A 88 1.616 -12.157 -11.944 1.00 74.13 N ATOM 1435 CA GLU A 88 0.733 -13.300 -12.220 1.00 4.44 C ATOM 1436 C GLU A 88 -0.575 -12.825 -12.879 1.00 11.44 C ATOM 1437 O GLU A 88 -0.900 -13.276 -13.969 1.00 74.44 O ATOM 1438 CB GLU A 88 0.445 -14.065 -10.904 1.00 63.13 C ATOM 1439 CG GLU A 88 1.708 -14.657 -10.245 1.00 34.11 C ATOM 1440 CD GLU A 88 1.464 -15.165 -8.822 1.00 61.34 C ATOM 1441 OE1 GLU A 88 1.333 -16.394 -8.606 1.00 70.12 O ATOM 1442 OE2 GLU A 88 1.415 -14.333 -7.898 1.00 32.32 O ATOM 0 H GLU A 88 1.764 -11.992 -10.948 1.00 74.13 H new ATOM 0 HA GLU A 88 1.230 -13.976 -12.916 1.00 4.44 H new ATOM 0 HB2 GLU A 88 -0.040 -13.389 -10.199 1.00 63.13 H new ATOM 0 HB3 GLU A 88 -0.260 -14.871 -11.109 1.00 63.13 H new ATOM 0 HG2 GLU A 88 2.079 -15.478 -10.858 1.00 34.11 H new ATOM 0 HG3 GLU A 88 2.489 -13.897 -10.224 1.00 34.11 H new ATOM 1449 N LEU A 89 -1.271 -11.860 -12.221 1.00 12.34 N ATOM 1450 CA LEU A 89 -2.569 -11.311 -12.675 1.00 42.03 C ATOM 1451 C LEU A 89 -2.457 -10.756 -14.108 1.00 2.35 C ATOM 1452 O LEU A 89 -3.311 -11.027 -14.937 1.00 51.21 O ATOM 1453 CB LEU A 89 -3.096 -10.189 -11.710 1.00 54.55 C ATOM 1454 CG LEU A 89 -3.365 -10.593 -10.220 1.00 33.24 C ATOM 1455 CD1 LEU A 89 -3.853 -9.376 -9.390 1.00 62.44 C ATOM 1456 CD2 LEU A 89 -4.349 -11.774 -10.118 1.00 22.11 C ATOM 0 H LEU A 89 -0.940 -11.440 -11.352 1.00 12.34 H new ATOM 0 HA LEU A 89 -3.286 -12.132 -12.664 1.00 42.03 H new ATOM 0 HB2 LEU A 89 -2.373 -9.374 -11.713 1.00 54.55 H new ATOM 0 HB3 LEU A 89 -4.023 -9.794 -12.126 1.00 54.55 H new ATOM 0 HG LEU A 89 -2.418 -10.927 -9.796 1.00 33.24 H new ATOM 0 HD11 LEU A 89 -4.032 -9.686 -8.360 1.00 62.44 H new ATOM 0 HD12 LEU A 89 -3.092 -8.595 -9.407 1.00 62.44 H new ATOM 0 HD13 LEU A 89 -4.778 -8.991 -9.819 1.00 62.44 H new ATOM 0 HD21 LEU A 89 -4.510 -12.024 -9.069 1.00 22.11 H new ATOM 0 HD22 LEU A 89 -5.299 -11.496 -10.575 1.00 22.11 H new ATOM 0 HD23 LEU A 89 -3.935 -12.638 -10.638 1.00 22.11 H new ATOM 1468 N SER A 90 -1.356 -10.032 -14.384 1.00 54.31 N ATOM 1469 CA SER A 90 -1.080 -9.442 -15.711 1.00 43.32 C ATOM 1470 C SER A 90 -0.998 -10.532 -16.787 1.00 2.33 C ATOM 1471 O SER A 90 -1.609 -10.405 -17.860 1.00 0.44 O ATOM 1472 CB SER A 90 0.247 -8.653 -15.684 1.00 11.33 C ATOM 1473 OG SER A 90 0.534 -8.053 -16.937 1.00 74.04 O ATOM 0 H SER A 90 -0.631 -9.838 -13.693 1.00 54.31 H new ATOM 0 HA SER A 90 -1.900 -8.766 -15.952 1.00 43.32 H new ATOM 0 HB2 SER A 90 0.194 -7.881 -14.916 1.00 11.33 H new ATOM 0 HB3 SER A 90 1.061 -9.323 -15.408 1.00 11.33 H new ATOM 0 HG SER A 90 1.380 -7.562 -16.878 1.00 74.04 H new ATOM 1479 N SER A 91 -0.241 -11.604 -16.476 1.00 0.15 N ATOM 1480 CA SER A 91 -0.084 -12.755 -17.378 1.00 72.44 C ATOM 1481 C SER A 91 -1.443 -13.466 -17.599 1.00 50.10 C ATOM 1482 O SER A 91 -1.798 -13.783 -18.733 1.00 3.21 O ATOM 1483 CB SER A 91 0.973 -13.730 -16.810 1.00 15.40 C ATOM 1484 OG SER A 91 1.296 -14.763 -17.739 1.00 32.05 O ATOM 0 H SER A 91 0.273 -11.693 -15.600 1.00 0.15 H new ATOM 0 HA SER A 91 0.263 -12.400 -18.348 1.00 72.44 H new ATOM 0 HB2 SER A 91 1.876 -13.177 -16.553 1.00 15.40 H new ATOM 0 HB3 SER A 91 0.599 -14.175 -15.888 1.00 15.40 H new ATOM 0 HG SER A 91 1.968 -15.358 -17.346 1.00 32.05 H new ATOM 1490 N LEU A 92 -2.217 -13.634 -16.504 1.00 0.52 N ATOM 1491 CA LEU A 92 -3.529 -14.326 -16.513 1.00 32.44 C ATOM 1492 C LEU A 92 -4.541 -13.608 -17.435 1.00 62.43 C ATOM 1493 O LEU A 92 -5.194 -14.246 -18.273 1.00 31.14 O ATOM 1494 CB LEU A 92 -4.097 -14.420 -15.066 1.00 43.52 C ATOM 1495 CG LEU A 92 -3.286 -15.292 -14.051 1.00 50.30 C ATOM 1496 CD1 LEU A 92 -3.881 -15.206 -12.626 1.00 54.42 C ATOM 1497 CD2 LEU A 92 -3.180 -16.753 -14.529 1.00 4.42 C ATOM 0 H LEU A 92 -1.949 -13.291 -15.582 1.00 0.52 H new ATOM 0 HA LEU A 92 -3.373 -15.331 -16.904 1.00 32.44 H new ATOM 0 HB2 LEU A 92 -4.173 -13.410 -14.663 1.00 43.52 H new ATOM 0 HB3 LEU A 92 -5.110 -14.817 -15.123 1.00 43.52 H new ATOM 0 HG LEU A 92 -2.276 -14.886 -14.006 1.00 50.30 H new ATOM 0 HD11 LEU A 92 -3.292 -15.824 -11.948 1.00 54.42 H new ATOM 0 HD12 LEU A 92 -3.860 -14.171 -12.285 1.00 54.42 H new ATOM 0 HD13 LEU A 92 -4.911 -15.562 -12.640 1.00 54.42 H new ATOM 0 HD21 LEU A 92 -2.611 -17.333 -13.803 1.00 4.42 H new ATOM 0 HD22 LEU A 92 -4.179 -17.177 -14.629 1.00 4.42 H new ATOM 0 HD23 LEU A 92 -2.675 -16.784 -15.494 1.00 4.42 H new ATOM 1509 N ILE A 93 -4.627 -12.272 -17.269 1.00 74.12 N ATOM 1510 CA ILE A 93 -5.468 -11.383 -18.104 1.00 51.22 C ATOM 1511 C ILE A 93 -5.020 -11.470 -19.572 1.00 60.35 C ATOM 1512 O ILE A 93 -5.848 -11.546 -20.471 1.00 50.30 O ATOM 1513 CB ILE A 93 -5.375 -9.885 -17.607 1.00 11.02 C ATOM 1514 CG1 ILE A 93 -5.845 -9.760 -16.126 1.00 23.21 C ATOM 1515 CG2 ILE A 93 -6.180 -8.915 -18.518 1.00 45.02 C ATOM 1516 CD1 ILE A 93 -5.538 -8.418 -15.482 1.00 43.25 C ATOM 0 H ILE A 93 -4.110 -11.773 -16.545 1.00 74.12 H new ATOM 0 HA ILE A 93 -6.504 -11.711 -18.017 1.00 51.22 H new ATOM 0 HB ILE A 93 -4.326 -9.594 -17.667 1.00 11.02 H new ATOM 0 HG12 ILE A 93 -6.920 -9.933 -16.083 1.00 23.21 H new ATOM 0 HG13 ILE A 93 -5.372 -10.548 -15.540 1.00 23.21 H new ATOM 0 HG21 ILE A 93 -6.087 -7.898 -18.138 1.00 45.02 H new ATOM 0 HG22 ILE A 93 -5.788 -8.960 -19.534 1.00 45.02 H new ATOM 0 HG23 ILE A 93 -7.230 -9.206 -18.521 1.00 45.02 H new ATOM 0 HD11 ILE A 93 -5.899 -8.417 -14.453 1.00 43.25 H new ATOM 0 HD12 ILE A 93 -4.461 -8.249 -15.489 1.00 43.25 H new ATOM 0 HD13 ILE A 93 -6.034 -7.624 -16.041 1.00 43.25 H new ATOM 1528 N GLY A 94 -3.693 -11.508 -19.776 1.00 73.21 N ATOM 1529 CA GLY A 94 -3.110 -11.584 -21.116 1.00 13.41 C ATOM 1530 C GLY A 94 -3.498 -12.860 -21.875 1.00 51.41 C ATOM 1531 O GLY A 94 -3.687 -12.823 -23.096 1.00 60.54 O ATOM 0 H GLY A 94 -3.005 -11.487 -19.023 1.00 73.21 H new ATOM 0 HA2 GLY A 94 -3.428 -10.716 -21.693 1.00 13.41 H new ATOM 0 HA3 GLY A 94 -2.024 -11.533 -21.036 1.00 13.41 H new ATOM 1535 N GLN A 95 -3.647 -13.982 -21.136 1.00 72.35 N ATOM 1536 CA GLN A 95 -3.944 -15.308 -21.728 1.00 53.44 C ATOM 1537 C GLN A 95 -5.441 -15.449 -22.096 1.00 24.40 C ATOM 1538 O GLN A 95 -5.779 -16.085 -23.105 1.00 52.34 O ATOM 1539 CB GLN A 95 -3.519 -16.457 -20.760 1.00 53.45 C ATOM 1540 CG GLN A 95 -2.026 -16.462 -20.350 1.00 53.14 C ATOM 1541 CD GLN A 95 -1.046 -16.495 -21.533 1.00 40.21 C ATOM 1542 OE1 GLN A 95 -0.616 -15.454 -22.040 1.00 64.40 O ATOM 1543 NE2 GLN A 95 -0.681 -17.690 -21.980 1.00 14.14 N ATOM 0 H GLN A 95 -3.566 -13.996 -20.119 1.00 72.35 H new ATOM 0 HA GLN A 95 -3.363 -15.387 -22.647 1.00 53.44 H new ATOM 0 HB2 GLN A 95 -4.126 -16.391 -19.857 1.00 53.45 H new ATOM 0 HB3 GLN A 95 -3.752 -17.412 -21.232 1.00 53.45 H new ATOM 0 HG2 GLN A 95 -1.823 -15.575 -19.750 1.00 53.14 H new ATOM 0 HG3 GLN A 95 -1.839 -17.327 -19.714 1.00 53.14 H new ATOM 0 HE21 GLN A 95 -1.052 -18.533 -21.542 1.00 14.14 H new ATOM 0 HE22 GLN A 95 -0.030 -17.765 -22.761 1.00 14.14 H new ATOM 1552 N VAL A 96 -6.336 -14.850 -21.280 1.00 43.33 N ATOM 1553 CA VAL A 96 -7.805 -15.026 -21.434 1.00 60.13 C ATOM 1554 C VAL A 96 -8.451 -13.883 -22.255 1.00 61.32 C ATOM 1555 O VAL A 96 -9.337 -14.132 -23.086 1.00 15.44 O ATOM 1556 CB VAL A 96 -8.525 -15.207 -20.041 1.00 52.52 C ATOM 1557 CG1 VAL A 96 -8.014 -16.489 -19.340 1.00 72.11 C ATOM 1558 CG2 VAL A 96 -8.358 -13.969 -19.124 1.00 31.35 C ATOM 0 H VAL A 96 -6.071 -14.240 -20.507 1.00 43.33 H new ATOM 0 HA VAL A 96 -7.947 -15.947 -22.000 1.00 60.13 H new ATOM 0 HB VAL A 96 -9.593 -15.309 -20.235 1.00 52.52 H new ATOM 0 HG11 VAL A 96 -8.517 -16.604 -18.380 1.00 72.11 H new ATOM 0 HG12 VAL A 96 -8.226 -17.355 -19.967 1.00 72.11 H new ATOM 0 HG13 VAL A 96 -6.939 -16.412 -19.179 1.00 72.11 H new ATOM 0 HG21 VAL A 96 -8.872 -14.144 -18.179 1.00 31.35 H new ATOM 0 HG22 VAL A 96 -7.298 -13.797 -18.935 1.00 31.35 H new ATOM 0 HG23 VAL A 96 -8.786 -13.094 -19.613 1.00 31.35 H new ATOM 1568 N LEU A 97 -8.008 -12.635 -22.018 1.00 2.00 N ATOM 1569 CA LEU A 97 -8.432 -11.468 -22.822 1.00 30.12 C ATOM 1570 C LEU A 97 -7.665 -11.536 -24.156 1.00 55.41 C ATOM 1571 O LEU A 97 -6.435 -11.388 -24.172 1.00 44.22 O ATOM 1572 CB LEU A 97 -8.121 -10.131 -22.051 1.00 42.42 C ATOM 1573 CG LEU A 97 -8.883 -8.809 -22.465 1.00 44.23 C ATOM 1574 CD1 LEU A 97 -8.435 -7.621 -21.576 1.00 25.14 C ATOM 1575 CD2 LEU A 97 -8.727 -8.439 -23.960 1.00 0.43 C ATOM 0 H LEU A 97 -7.352 -12.405 -21.272 1.00 2.00 H new ATOM 0 HA LEU A 97 -9.506 -11.486 -23.005 1.00 30.12 H new ATOM 0 HB2 LEU A 97 -8.320 -10.307 -20.994 1.00 42.42 H new ATOM 0 HB3 LEU A 97 -7.052 -9.938 -22.146 1.00 42.42 H new ATOM 0 HG LEU A 97 -9.942 -9.015 -22.307 1.00 44.23 H new ATOM 0 HD11 LEU A 97 -8.970 -6.720 -21.876 1.00 25.14 H new ATOM 0 HD12 LEU A 97 -8.656 -7.844 -20.532 1.00 25.14 H new ATOM 0 HD13 LEU A 97 -7.363 -7.462 -21.694 1.00 25.14 H new ATOM 0 HD21 LEU A 97 -9.278 -7.521 -24.167 1.00 0.43 H new ATOM 0 HD22 LEU A 97 -7.672 -8.289 -24.190 1.00 0.43 H new ATOM 0 HD23 LEU A 97 -9.121 -9.246 -24.578 1.00 0.43 H new ATOM 1830 N ILE A 429 -16.185 -14.645 -20.213 1.00 51.33 N ATOM 1831 CA ILE A 429 -14.849 -14.041 -20.429 1.00 23.01 C ATOM 1832 C ILE A 429 -14.816 -12.593 -19.896 1.00 53.33 C ATOM 1833 O ILE A 429 -13.832 -12.179 -19.292 1.00 33.30 O ATOM 1834 CB ILE A 429 -14.433 -14.124 -21.960 1.00 43.34 C ATOM 1835 CG1 ILE A 429 -12.994 -13.535 -22.276 1.00 15.21 C ATOM 1836 CG2 ILE A 429 -15.508 -13.495 -22.870 1.00 11.34 C ATOM 1837 CD1 ILE A 429 -12.895 -12.037 -22.583 1.00 11.14 C ATOM 0 HA ILE A 429 -14.111 -14.612 -19.865 1.00 23.01 H new ATOM 0 HB ILE A 429 -14.367 -15.189 -22.184 1.00 43.34 H new ATOM 0 HG12 ILE A 429 -12.349 -13.747 -21.423 1.00 15.21 H new ATOM 0 HG13 ILE A 429 -12.587 -14.081 -23.127 1.00 15.21 H new ATOM 0 HG21 ILE A 429 -15.192 -13.568 -23.911 1.00 11.34 H new ATOM 0 HG22 ILE A 429 -16.451 -14.025 -22.739 1.00 11.34 H new ATOM 0 HG23 ILE A 429 -15.641 -12.446 -22.604 1.00 11.34 H new ATOM 0 HD11 ILE A 429 -11.856 -11.774 -22.779 1.00 11.14 H new ATOM 0 HD12 ILE A 429 -13.500 -11.804 -23.459 1.00 11.14 H new ATOM 0 HD13 ILE A 429 -13.259 -11.466 -21.729 1.00 11.14 H new ATOM 1849 N ASP A 430 -15.932 -11.866 -20.090 1.00 44.50 N ATOM 1850 CA ASP A 430 -16.106 -10.487 -19.604 1.00 33.05 C ATOM 1851 C ASP A 430 -15.961 -10.415 -18.079 1.00 1.22 C ATOM 1852 O ASP A 430 -15.217 -9.581 -17.564 1.00 53.21 O ATOM 1853 CB ASP A 430 -17.497 -9.955 -20.021 1.00 64.40 C ATOM 1854 CG ASP A 430 -17.824 -8.554 -19.470 1.00 25.01 C ATOM 1855 OD1 ASP A 430 -17.063 -7.604 -19.758 1.00 64.21 O ATOM 1856 OD2 ASP A 430 -18.851 -8.382 -18.776 1.00 34.22 O ATOM 0 H ASP A 430 -16.744 -12.223 -20.593 1.00 44.50 H new ATOM 0 HA ASP A 430 -15.328 -9.869 -20.051 1.00 33.05 H new ATOM 0 HB2 ASP A 430 -17.553 -9.928 -21.109 1.00 64.40 H new ATOM 0 HB3 ASP A 430 -18.259 -10.655 -19.680 1.00 64.40 H new ATOM 1861 N GLU A 431 -16.674 -11.323 -17.383 1.00 74.52 N ATOM 1862 CA GLU A 431 -16.721 -11.358 -15.915 1.00 14.43 C ATOM 1863 C GLU A 431 -15.333 -11.643 -15.320 1.00 13.04 C ATOM 1864 O GLU A 431 -14.851 -10.877 -14.484 1.00 32.21 O ATOM 1865 CB GLU A 431 -17.740 -12.416 -15.420 1.00 1.21 C ATOM 1866 CG GLU A 431 -19.206 -12.136 -15.809 1.00 72.11 C ATOM 1867 CD GLU A 431 -20.183 -13.150 -15.191 1.00 12.03 C ATOM 1868 OE1 GLU A 431 -20.513 -14.157 -15.855 1.00 13.43 O ATOM 1869 OE2 GLU A 431 -20.605 -12.957 -14.024 1.00 3.41 O ATOM 0 H GLU A 431 -17.233 -12.052 -17.827 1.00 74.52 H new ATOM 0 HA GLU A 431 -17.045 -10.375 -15.574 1.00 14.43 H new ATOM 0 HB2 GLU A 431 -17.453 -13.390 -15.818 1.00 1.21 H new ATOM 0 HB3 GLU A 431 -17.674 -12.483 -14.334 1.00 1.21 H new ATOM 0 HG2 GLU A 431 -19.478 -11.131 -15.487 1.00 72.11 H new ATOM 0 HG3 GLU A 431 -19.301 -12.160 -16.895 1.00 72.11 H new ATOM 1876 N THR A 432 -14.686 -12.729 -15.789 1.00 74.54 N ATOM 1877 CA THR A 432 -13.406 -13.183 -15.220 1.00 71.14 C ATOM 1878 C THR A 432 -12.286 -12.148 -15.460 1.00 54.50 C ATOM 1879 O THR A 432 -11.528 -11.835 -14.536 1.00 30.12 O ATOM 1880 CB THR A 432 -12.990 -14.600 -15.739 1.00 21.43 C ATOM 1881 OG1 THR A 432 -11.843 -15.069 -15.012 1.00 35.21 O ATOM 1882 CG2 THR A 432 -12.687 -14.624 -17.250 1.00 11.34 C ATOM 0 H THR A 432 -15.029 -13.305 -16.558 1.00 74.54 H new ATOM 0 HA THR A 432 -13.556 -13.274 -14.144 1.00 71.14 H new ATOM 0 HB THR A 432 -13.842 -15.258 -15.572 1.00 21.43 H new ATOM 0 HG1 THR A 432 -11.588 -15.957 -15.340 1.00 35.21 H new ATOM 0 HG21 THR A 432 -12.405 -15.634 -17.548 1.00 11.34 H new ATOM 0 HG22 THR A 432 -13.574 -14.317 -17.804 1.00 11.34 H new ATOM 0 HG23 THR A 432 -11.868 -13.939 -17.468 1.00 11.34 H new ATOM 1890 N VAL A 433 -12.239 -11.569 -16.684 1.00 50.01 N ATOM 1891 CA VAL A 433 -11.301 -10.479 -17.007 1.00 1.11 C ATOM 1892 C VAL A 433 -11.565 -9.282 -16.086 1.00 43.34 C ATOM 1893 O VAL A 433 -10.638 -8.744 -15.519 1.00 25.04 O ATOM 1894 CB VAL A 433 -11.386 -10.046 -18.524 1.00 2.05 C ATOM 1895 CG1 VAL A 433 -10.621 -8.726 -18.801 1.00 23.21 C ATOM 1896 CG2 VAL A 433 -10.868 -11.179 -19.444 1.00 43.34 C ATOM 0 H VAL A 433 -12.842 -11.842 -17.460 1.00 50.01 H new ATOM 0 HA VAL A 433 -10.289 -10.849 -16.842 1.00 1.11 H new ATOM 0 HB VAL A 433 -12.437 -9.862 -18.747 1.00 2.05 H new ATOM 0 HG11 VAL A 433 -10.708 -8.470 -19.857 1.00 23.21 H new ATOM 0 HG12 VAL A 433 -11.047 -7.925 -18.197 1.00 23.21 H new ATOM 0 HG13 VAL A 433 -9.569 -8.854 -18.545 1.00 23.21 H new ATOM 0 HG21 VAL A 433 -10.935 -10.862 -20.485 1.00 43.34 H new ATOM 0 HG22 VAL A 433 -9.830 -11.401 -19.198 1.00 43.34 H new ATOM 0 HG23 VAL A 433 -11.475 -12.073 -19.298 1.00 43.34 H new ATOM 1906 N ALA A 434 -12.853 -8.956 -15.883 1.00 33.23 N ATOM 1907 CA ALA A 434 -13.274 -7.821 -15.042 1.00 35.41 C ATOM 1908 C ALA A 434 -12.806 -7.975 -13.583 1.00 35.12 C ATOM 1909 O ALA A 434 -12.487 -6.983 -12.935 1.00 11.41 O ATOM 1910 CB ALA A 434 -14.798 -7.652 -15.098 1.00 10.41 C ATOM 0 H ALA A 434 -13.631 -9.471 -16.296 1.00 33.23 H new ATOM 0 HA ALA A 434 -12.798 -6.926 -15.443 1.00 35.41 H new ATOM 0 HB1 ALA A 434 -15.094 -6.810 -14.472 1.00 10.41 H new ATOM 0 HB2 ALA A 434 -15.106 -7.465 -16.127 1.00 10.41 H new ATOM 0 HB3 ALA A 434 -15.278 -8.561 -14.735 1.00 10.41 H new ATOM 1916 N ARG A 435 -12.751 -9.229 -13.084 1.00 52.20 N ATOM 1917 CA ARG A 435 -12.328 -9.517 -11.696 1.00 32.42 C ATOM 1918 C ARG A 435 -10.809 -9.337 -11.548 1.00 72.12 C ATOM 1919 O ARG A 435 -10.346 -8.570 -10.699 1.00 52.12 O ATOM 1920 CB ARG A 435 -12.743 -10.958 -11.269 1.00 4.22 C ATOM 1921 CG ARG A 435 -14.247 -11.280 -11.438 1.00 54.30 C ATOM 1922 CD ARG A 435 -15.173 -10.200 -10.846 1.00 73.31 C ATOM 1923 NE ARG A 435 -16.593 -10.481 -11.112 1.00 24.31 N ATOM 1924 CZ ARG A 435 -17.555 -9.557 -11.282 1.00 32.34 C ATOM 1925 NH1 ARG A 435 -17.284 -8.245 -11.228 1.00 64.32 N ATOM 1926 NH2 ARG A 435 -18.796 -9.956 -11.493 1.00 24.53 N ATOM 0 H ARG A 435 -12.995 -10.060 -13.623 1.00 52.20 H new ATOM 0 HA ARG A 435 -12.833 -8.809 -11.039 1.00 32.42 H new ATOM 0 HB2 ARG A 435 -12.165 -11.675 -11.853 1.00 4.22 H new ATOM 0 HB3 ARG A 435 -12.470 -11.104 -10.224 1.00 4.22 H new ATOM 0 HG2 ARG A 435 -14.469 -11.397 -12.499 1.00 54.30 H new ATOM 0 HG3 ARG A 435 -14.463 -12.235 -10.960 1.00 54.30 H new ATOM 0 HD2 ARG A 435 -15.012 -10.136 -9.770 1.00 73.31 H new ATOM 0 HD3 ARG A 435 -14.911 -9.229 -11.266 1.00 73.31 H new ATOM 0 HE ARG A 435 -16.871 -11.460 -11.173 1.00 24.31 H new ATOM 0 HH11 ARG A 435 -16.330 -7.928 -11.055 1.00 64.32 H new ATOM 0 HH12 ARG A 435 -18.032 -7.564 -11.360 1.00 64.32 H new ATOM 0 HH21 ARG A 435 -19.013 -10.952 -11.525 1.00 24.53 H new ATOM 0 HH22 ARG A 435 -19.538 -9.268 -11.624 1.00 24.53 H new ATOM 1940 N TYR A 436 -10.047 -10.037 -12.409 1.00 11.23 N ATOM 1941 CA TYR A 436 -8.572 -10.013 -12.375 1.00 20.43 C ATOM 1942 C TYR A 436 -8.016 -8.618 -12.735 1.00 32.42 C ATOM 1943 O TYR A 436 -6.983 -8.219 -12.210 1.00 63.25 O ATOM 1944 CB TYR A 436 -7.984 -11.101 -13.318 1.00 51.53 C ATOM 1945 CG TYR A 436 -8.130 -12.541 -12.793 1.00 12.33 C ATOM 1946 CD1 TYR A 436 -7.172 -13.092 -11.940 1.00 65.42 C ATOM 1947 CD2 TYR A 436 -9.223 -13.340 -13.135 1.00 21.42 C ATOM 1948 CE1 TYR A 436 -7.291 -14.384 -11.462 1.00 11.21 C ATOM 1949 CE2 TYR A 436 -9.346 -14.634 -12.658 1.00 75.02 C ATOM 1950 CZ TYR A 436 -8.382 -15.148 -11.818 1.00 60.44 C ATOM 1951 OH TYR A 436 -8.500 -16.437 -11.337 1.00 62.34 O ATOM 0 H TYR A 436 -10.433 -10.631 -13.143 1.00 11.23 H new ATOM 0 HA TYR A 436 -8.262 -10.235 -11.354 1.00 20.43 H new ATOM 0 HB2 TYR A 436 -8.476 -11.029 -14.288 1.00 51.53 H new ATOM 0 HB3 TYR A 436 -6.927 -10.891 -13.480 1.00 51.53 H new ATOM 0 HD1 TYR A 436 -6.320 -12.497 -11.647 1.00 65.42 H new ATOM 0 HD2 TYR A 436 -9.988 -12.941 -13.785 1.00 21.42 H new ATOM 0 HE1 TYR A 436 -6.532 -14.793 -10.812 1.00 11.21 H new ATOM 0 HE2 TYR A 436 -10.194 -15.238 -12.943 1.00 75.02 H new ATOM 0 HH TYR A 436 -9.325 -16.840 -11.680 1.00 62.34 H new ATOM 1961 N LYS A 437 -8.730 -7.893 -13.617 1.00 21.12 N ATOM 1962 CA LYS A 437 -8.324 -6.553 -14.106 1.00 25.31 C ATOM 1963 C LYS A 437 -8.641 -5.476 -13.068 1.00 61.21 C ATOM 1964 O LYS A 437 -7.871 -4.522 -12.911 1.00 32.13 O ATOM 1965 CB LYS A 437 -9.025 -6.229 -15.450 1.00 10.45 C ATOM 1966 CG LYS A 437 -8.662 -4.864 -16.072 1.00 12.31 C ATOM 1967 CD LYS A 437 -9.540 -4.522 -17.297 1.00 23.11 C ATOM 1968 CE LYS A 437 -9.286 -3.099 -17.815 1.00 44.24 C ATOM 1969 NZ LYS A 437 -9.517 -2.061 -16.762 1.00 33.23 N ATOM 0 H LYS A 437 -9.611 -8.219 -14.015 1.00 21.12 H new ATOM 0 HA LYS A 437 -7.246 -6.564 -14.269 1.00 25.31 H new ATOM 0 HB2 LYS A 437 -8.780 -7.013 -16.167 1.00 10.45 H new ATOM 0 HB3 LYS A 437 -10.103 -6.264 -15.296 1.00 10.45 H new ATOM 0 HG2 LYS A 437 -8.774 -4.084 -15.319 1.00 12.31 H new ATOM 0 HG3 LYS A 437 -7.614 -4.871 -16.371 1.00 12.31 H new ATOM 0 HD2 LYS A 437 -9.342 -5.238 -18.095 1.00 23.11 H new ATOM 0 HD3 LYS A 437 -10.591 -4.627 -17.029 1.00 23.11 H new ATOM 0 HE2 LYS A 437 -8.261 -3.024 -18.177 1.00 44.24 H new ATOM 0 HE3 LYS A 437 -9.939 -2.902 -18.665 1.00 44.24 H new ATOM 0 HZ1 LYS A 437 -9.584 -1.124 -17.207 1.00 33.23 H new ATOM 0 HZ2 LYS A 437 -10.402 -2.269 -16.258 1.00 33.23 H new ATOM 0 HZ3 LYS A 437 -8.725 -2.068 -16.088 1.00 33.23 H new ATOM 1983 N ALA A 438 -9.790 -5.623 -12.378 1.00 52.44 N ATOM 1984 CA ALA A 438 -10.149 -4.741 -11.256 1.00 22.33 C ATOM 1985 C ALA A 438 -9.082 -4.842 -10.163 1.00 74.25 C ATOM 1986 O ALA A 438 -8.476 -3.842 -9.792 1.00 2.13 O ATOM 1987 CB ALA A 438 -11.537 -5.078 -10.696 1.00 53.01 C ATOM 0 H ALA A 438 -10.483 -6.344 -12.580 1.00 52.44 H new ATOM 0 HA ALA A 438 -10.191 -3.715 -11.623 1.00 22.33 H new ATOM 0 HB1 ALA A 438 -11.769 -4.407 -9.869 1.00 53.01 H new ATOM 0 HB2 ALA A 438 -12.285 -4.959 -11.480 1.00 53.01 H new ATOM 0 HB3 ALA A 438 -11.545 -6.108 -10.340 1.00 53.01 H new ATOM 1993 N GLN A 439 -8.806 -6.087 -9.721 1.00 63.51 N ATOM 1994 CA GLN A 439 -7.797 -6.360 -8.683 1.00 23.44 C ATOM 1995 C GLN A 439 -6.392 -5.945 -9.149 1.00 35.42 C ATOM 1996 O GLN A 439 -5.585 -5.499 -8.344 1.00 62.53 O ATOM 1997 CB GLN A 439 -7.803 -7.858 -8.271 1.00 1.03 C ATOM 1998 CG GLN A 439 -9.133 -8.371 -7.677 1.00 72.12 C ATOM 1999 CD GLN A 439 -9.727 -7.449 -6.612 1.00 20.43 C ATOM 2000 OE1 GLN A 439 -9.390 -7.532 -5.434 1.00 1.23 O ATOM 2001 NE2 GLN A 439 -10.654 -6.591 -7.010 1.00 55.31 N ATOM 0 H GLN A 439 -9.273 -6.923 -10.072 1.00 63.51 H new ATOM 0 HA GLN A 439 -8.061 -5.762 -7.811 1.00 23.44 H new ATOM 0 HB2 GLN A 439 -7.558 -8.460 -9.146 1.00 1.03 H new ATOM 0 HB3 GLN A 439 -7.011 -8.021 -7.540 1.00 1.03 H new ATOM 0 HG2 GLN A 439 -9.857 -8.494 -8.483 1.00 72.12 H new ATOM 0 HG3 GLN A 439 -8.970 -9.357 -7.241 1.00 72.12 H new ATOM 0 HE21 GLN A 439 -10.915 -6.543 -7.995 1.00 55.31 H new ATOM 0 HE22 GLN A 439 -11.107 -5.978 -6.332 1.00 55.31 H new ATOM 2010 N PHE A 440 -6.121 -6.085 -10.460 1.00 35.04 N ATOM 2011 CA PHE A 440 -4.832 -5.689 -11.048 1.00 1.52 C ATOM 2012 C PHE A 440 -4.613 -4.175 -10.870 1.00 44.35 C ATOM 2013 O PHE A 440 -3.697 -3.769 -10.176 1.00 12.41 O ATOM 2014 CB PHE A 440 -4.760 -6.082 -12.548 1.00 15.14 C ATOM 2015 CG PHE A 440 -3.428 -5.768 -13.221 1.00 50.13 C ATOM 2016 CD1 PHE A 440 -2.264 -6.413 -12.812 1.00 4.20 C ATOM 2017 CD2 PHE A 440 -3.333 -4.820 -14.246 1.00 11.24 C ATOM 2018 CE1 PHE A 440 -1.051 -6.127 -13.402 1.00 34.15 C ATOM 2019 CE2 PHE A 440 -2.115 -4.540 -14.837 1.00 72.45 C ATOM 2020 CZ PHE A 440 -0.974 -5.190 -14.410 1.00 63.23 C ATOM 0 H PHE A 440 -6.783 -6.472 -11.133 1.00 35.04 H new ATOM 0 HA PHE A 440 -4.037 -6.222 -10.526 1.00 1.52 H new ATOM 0 HB2 PHE A 440 -4.956 -7.150 -12.640 1.00 15.14 H new ATOM 0 HB3 PHE A 440 -5.555 -5.564 -13.085 1.00 15.14 H new ATOM 0 HD1 PHE A 440 -2.312 -7.148 -12.022 1.00 4.20 H new ATOM 0 HD2 PHE A 440 -4.220 -4.302 -14.579 1.00 11.24 H new ATOM 0 HE1 PHE A 440 -0.159 -6.639 -13.073 1.00 34.15 H new ATOM 0 HE2 PHE A 440 -2.056 -3.813 -15.633 1.00 72.45 H new ATOM 0 HZ PHE A 440 -0.021 -4.964 -14.866 1.00 63.23 H new ATOM 2030 N THR A 441 -5.519 -3.370 -11.455 1.00 60.21 N ATOM 2031 CA THR A 441 -5.429 -1.893 -11.462 1.00 72.52 C ATOM 2032 C THR A 441 -5.457 -1.291 -10.029 1.00 2.12 C ATOM 2033 O THR A 441 -4.764 -0.309 -9.749 1.00 72.30 O ATOM 2034 CB THR A 441 -6.591 -1.295 -12.336 1.00 62.43 C ATOM 2035 OG1 THR A 441 -6.558 -1.876 -13.655 1.00 11.23 O ATOM 2036 CG2 THR A 441 -6.524 0.238 -12.470 1.00 53.23 C ATOM 0 H THR A 441 -6.342 -3.727 -11.941 1.00 60.21 H new ATOM 0 HA THR A 441 -4.467 -1.622 -11.898 1.00 72.52 H new ATOM 0 HB THR A 441 -7.520 -1.539 -11.821 1.00 62.43 H new ATOM 0 HG1 THR A 441 -6.938 -2.779 -13.624 1.00 11.23 H new ATOM 0 HG21 THR A 441 -7.354 0.586 -13.085 1.00 53.23 H new ATOM 0 HG22 THR A 441 -6.589 0.693 -11.482 1.00 53.23 H new ATOM 0 HG23 THR A 441 -5.581 0.521 -12.938 1.00 53.23 H new ATOM 2044 N GLN A 442 -6.240 -1.914 -9.130 1.00 73.42 N ATOM 2045 CA GLN A 442 -6.378 -1.477 -7.721 1.00 75.34 C ATOM 2046 C GLN A 442 -5.093 -1.762 -6.912 1.00 4.43 C ATOM 2047 O GLN A 442 -4.584 -0.877 -6.218 1.00 15.22 O ATOM 2048 CB GLN A 442 -7.614 -2.161 -7.085 1.00 61.30 C ATOM 2049 CG GLN A 442 -8.967 -1.664 -7.650 1.00 25.34 C ATOM 2050 CD GLN A 442 -10.186 -2.506 -7.233 1.00 15.23 C ATOM 2051 OE1 GLN A 442 -10.019 -3.814 -7.110 1.00 75.33 O flip ATOM 2052 NE2 GLN A 442 -11.293 -1.988 -7.081 1.00 10.44 N flip ATOM 0 H GLN A 442 -6.798 -2.737 -9.357 1.00 73.42 H new ATOM 0 HA GLN A 442 -6.527 -0.397 -7.701 1.00 75.34 H new ATOM 0 HB2 GLN A 442 -7.541 -3.238 -7.239 1.00 61.30 H new ATOM 0 HB3 GLN A 442 -7.597 -1.991 -6.008 1.00 61.30 H new ATOM 0 HG2 GLN A 442 -9.125 -0.635 -7.326 1.00 25.34 H new ATOM 0 HG3 GLN A 442 -8.908 -1.650 -8.738 1.00 25.34 H new ATOM 0 HE21 GLN A 442 -11.402 -0.979 -7.180 1.00 10.44 H new ATOM 0 HE22 GLN A 442 -12.101 -2.568 -6.856 1.00 10.44 H new ATOM 2061 N LEU A 443 -4.561 -2.994 -7.036 1.00 64.50 N ATOM 2062 CA LEU A 443 -3.271 -3.376 -6.409 1.00 2.05 C ATOM 2063 C LEU A 443 -2.079 -2.681 -7.119 1.00 41.33 C ATOM 2064 O LEU A 443 -0.993 -2.594 -6.550 1.00 22.44 O ATOM 2065 CB LEU A 443 -3.075 -4.932 -6.390 1.00 61.35 C ATOM 2066 CG LEU A 443 -3.776 -5.753 -5.242 1.00 20.35 C ATOM 2067 CD1 LEU A 443 -5.310 -5.612 -5.246 1.00 44.42 C ATOM 2068 CD2 LEU A 443 -3.369 -7.250 -5.306 1.00 63.32 C ATOM 0 H LEU A 443 -5.003 -3.746 -7.565 1.00 64.50 H new ATOM 0 HA LEU A 443 -3.300 -3.034 -5.374 1.00 2.05 H new ATOM 0 HB2 LEU A 443 -3.427 -5.324 -7.344 1.00 61.35 H new ATOM 0 HB3 LEU A 443 -2.005 -5.133 -6.338 1.00 61.35 H new ATOM 0 HG LEU A 443 -3.425 -5.325 -4.303 1.00 20.35 H new ATOM 0 HD11 LEU A 443 -5.732 -6.201 -4.432 1.00 44.42 H new ATOM 0 HD12 LEU A 443 -5.579 -4.564 -5.113 1.00 44.42 H new ATOM 0 HD13 LEU A 443 -5.706 -5.971 -6.196 1.00 44.42 H new ATOM 0 HD21 LEU A 443 -3.865 -7.797 -4.504 1.00 63.32 H new ATOM 0 HD22 LEU A 443 -3.667 -7.667 -6.268 1.00 63.32 H new ATOM 0 HD23 LEU A 443 -2.289 -7.339 -5.191 1.00 63.32 H new ATOM 2080 N ASP A 444 -2.296 -2.202 -8.368 1.00 42.32 N ATOM 2081 CA ASP A 444 -1.247 -1.548 -9.194 1.00 65.12 C ATOM 2082 C ASP A 444 -1.065 -0.077 -8.799 1.00 35.54 C ATOM 2083 O ASP A 444 0.073 0.401 -8.684 1.00 72.22 O ATOM 2084 CB ASP A 444 -1.583 -1.648 -10.706 1.00 33.32 C ATOM 2085 CG ASP A 444 -0.475 -1.089 -11.622 1.00 0.03 C ATOM 2086 OD1 ASP A 444 -0.566 0.081 -12.058 1.00 21.35 O ATOM 2087 OD2 ASP A 444 0.497 -1.819 -11.921 1.00 55.10 O ATOM 0 H ASP A 444 -3.202 -2.257 -8.833 1.00 42.32 H new ATOM 0 HA ASP A 444 -0.312 -2.077 -9.007 1.00 65.12 H new ATOM 0 HB2 ASP A 444 -1.762 -2.692 -10.962 1.00 33.32 H new ATOM 0 HB3 ASP A 444 -2.510 -1.109 -10.900 1.00 33.32 H new ATOM 2092 N THR A 445 -2.189 0.647 -8.614 1.00 24.30 N ATOM 2093 CA THR A 445 -2.148 2.028 -8.106 1.00 43.22 C ATOM 2094 C THR A 445 -1.649 2.009 -6.650 1.00 41.43 C ATOM 2095 O THR A 445 -0.874 2.878 -6.250 1.00 34.12 O ATOM 2096 CB THR A 445 -3.522 2.787 -8.238 1.00 44.11 C ATOM 2097 OG1 THR A 445 -3.384 4.147 -7.792 1.00 25.10 O ATOM 2098 CG2 THR A 445 -4.666 2.122 -7.453 1.00 33.53 C ATOM 0 H THR A 445 -3.128 0.298 -8.808 1.00 24.30 H new ATOM 0 HA THR A 445 -1.454 2.593 -8.729 1.00 43.22 H new ATOM 0 HB THR A 445 -3.785 2.750 -9.295 1.00 44.11 H new ATOM 0 HG1 THR A 445 -4.244 4.609 -7.880 1.00 25.10 H new ATOM 0 HG21 THR A 445 -5.582 2.697 -7.588 1.00 33.53 H new ATOM 0 HG22 THR A 445 -4.817 1.107 -7.820 1.00 33.53 H new ATOM 0 HG23 THR A 445 -4.410 2.091 -6.394 1.00 33.53 H new ATOM 2106 N MET A 446 -2.039 0.946 -5.896 1.00 13.44 N ATOM 2107 CA MET A 446 -1.525 0.704 -4.540 1.00 41.44 C ATOM 2108 C MET A 446 -0.007 0.467 -4.580 1.00 10.21 C ATOM 2109 O MET A 446 0.707 1.000 -3.756 1.00 44.43 O ATOM 2110 CB MET A 446 -2.225 -0.513 -3.867 1.00 72.51 C ATOM 2111 CG MET A 446 -1.868 -0.680 -2.381 1.00 40.24 C ATOM 2112 SD MET A 446 -2.670 -2.090 -1.590 1.00 15.04 S ATOM 2113 CE MET A 446 -2.100 -1.894 0.103 1.00 25.14 C ATOM 0 H MET A 446 -2.710 0.247 -6.215 1.00 13.44 H new ATOM 0 HA MET A 446 -1.742 1.592 -3.946 1.00 41.44 H new ATOM 0 HB2 MET A 446 -3.305 -0.400 -3.963 1.00 72.51 H new ATOM 0 HB3 MET A 446 -1.951 -1.422 -4.403 1.00 72.51 H new ATOM 0 HG2 MET A 446 -0.788 -0.789 -2.287 1.00 40.24 H new ATOM 0 HG3 MET A 446 -2.144 0.229 -1.847 1.00 40.24 H new ATOM 0 HE1 MET A 446 -1.436 -2.719 0.361 1.00 25.14 H new ATOM 0 HE2 MET A 446 -1.562 -0.951 0.199 1.00 25.14 H new ATOM 0 HE3 MET A 446 -2.956 -1.893 0.777 1.00 25.14 H new ATOM 2123 N MET A 447 0.452 -0.323 -5.580 1.00 10.44 N ATOM 2124 CA MET A 447 1.877 -0.716 -5.748 1.00 51.21 C ATOM 2125 C MET A 447 2.794 0.501 -5.918 1.00 2.32 C ATOM 2126 O MET A 447 3.783 0.657 -5.194 1.00 43.34 O ATOM 2127 CB MET A 447 2.041 -1.656 -6.983 1.00 54.11 C ATOM 2128 CG MET A 447 3.483 -2.161 -7.275 1.00 32.14 C ATOM 2129 SD MET A 447 3.839 -3.814 -6.626 1.00 23.05 S ATOM 2130 CE MET A 447 3.594 -3.631 -4.863 1.00 11.04 C ATOM 0 H MET A 447 -0.159 -0.710 -6.300 1.00 10.44 H new ATOM 0 HA MET A 447 2.170 -1.241 -4.839 1.00 51.21 H new ATOM 0 HB2 MET A 447 1.396 -2.523 -6.841 1.00 54.11 H new ATOM 0 HB3 MET A 447 1.677 -1.129 -7.865 1.00 54.11 H new ATOM 0 HG2 MET A 447 3.643 -2.164 -8.353 1.00 32.14 H new ATOM 0 HG3 MET A 447 4.196 -1.455 -6.849 1.00 32.14 H new ATOM 0 HE1 MET A 447 3.904 -4.545 -4.356 1.00 11.04 H new ATOM 0 HE2 MET A 447 4.188 -2.793 -4.498 1.00 11.04 H new ATOM 0 HE3 MET A 447 2.540 -3.443 -4.660 1.00 11.04 H new ATOM 2140 N SER A 448 2.443 1.353 -6.891 1.00 53.12 N ATOM 2141 CA SER A 448 3.224 2.546 -7.245 1.00 11.14 C ATOM 2142 C SER A 448 3.234 3.561 -6.089 1.00 44.43 C ATOM 2143 O SER A 448 4.280 4.154 -5.770 1.00 22.24 O ATOM 2144 CB SER A 448 2.644 3.167 -8.534 1.00 32.40 C ATOM 2145 OG SER A 448 1.239 3.355 -8.425 1.00 3.12 O ATOM 0 H SER A 448 1.604 1.233 -7.458 1.00 53.12 H new ATOM 0 HA SER A 448 4.260 2.259 -7.426 1.00 11.14 H new ATOM 0 HB2 SER A 448 3.128 4.124 -8.730 1.00 32.40 H new ATOM 0 HB3 SER A 448 2.862 2.520 -9.383 1.00 32.40 H new ATOM 0 HG SER A 448 0.897 3.751 -9.254 1.00 3.12 H new ATOM 2151 N LYS A 449 2.064 3.721 -5.446 1.00 74.53 N ATOM 2152 CA LYS A 449 1.914 4.612 -4.288 1.00 75.31 C ATOM 2153 C LYS A 449 2.713 4.098 -3.089 1.00 21.34 C ATOM 2154 O LYS A 449 3.421 4.870 -2.471 1.00 75.42 O ATOM 2155 CB LYS A 449 0.422 4.812 -3.906 1.00 45.33 C ATOM 2156 CG LYS A 449 -0.384 5.643 -4.929 1.00 54.33 C ATOM 2157 CD LYS A 449 -1.851 5.872 -4.493 1.00 52.21 C ATOM 2158 CE LYS A 449 -1.961 6.694 -3.199 1.00 73.35 C ATOM 2159 NZ LYS A 449 -3.370 6.847 -2.746 1.00 12.14 N ATOM 0 H LYS A 449 1.205 3.240 -5.713 1.00 74.53 H new ATOM 0 HA LYS A 449 2.315 5.584 -4.576 1.00 75.31 H new ATOM 0 HB2 LYS A 449 -0.048 3.835 -3.797 1.00 45.33 H new ATOM 0 HB3 LYS A 449 0.369 5.302 -2.934 1.00 45.33 H new ATOM 0 HG2 LYS A 449 0.103 6.608 -5.071 1.00 54.33 H new ATOM 0 HG3 LYS A 449 -0.371 5.135 -5.893 1.00 54.33 H new ATOM 0 HD2 LYS A 449 -2.388 6.384 -5.291 1.00 52.21 H new ATOM 0 HD3 LYS A 449 -2.338 4.908 -4.349 1.00 52.21 H new ATOM 0 HE2 LYS A 449 -1.380 6.211 -2.414 1.00 73.35 H new ATOM 0 HE3 LYS A 449 -1.524 7.680 -3.359 1.00 73.35 H new ATOM 0 HZ1 LYS A 449 -3.418 7.567 -1.997 1.00 12.14 H new ATOM 0 HZ2 LYS A 449 -3.963 7.142 -3.548 1.00 12.14 H new ATOM 0 HZ3 LYS A 449 -3.716 5.939 -2.375 1.00 12.14 H new ATOM 2173 N LEU A 450 2.639 2.776 -2.806 1.00 32.24 N ATOM 2174 CA LEU A 450 3.267 2.194 -1.597 1.00 65.12 C ATOM 2175 C LEU A 450 4.796 2.160 -1.745 1.00 13.45 C ATOM 2176 O LEU A 450 5.524 2.173 -0.752 1.00 74.52 O ATOM 2177 CB LEU A 450 2.649 0.799 -1.201 1.00 54.14 C ATOM 2178 CG LEU A 450 2.934 -0.483 -2.074 1.00 61.25 C ATOM 2179 CD1 LEU A 450 4.350 -1.075 -1.870 1.00 50.52 C ATOM 2180 CD2 LEU A 450 1.868 -1.570 -1.808 1.00 55.13 C ATOM 0 H LEU A 450 2.155 2.097 -3.394 1.00 32.24 H new ATOM 0 HA LEU A 450 3.039 2.848 -0.756 1.00 65.12 H new ATOM 0 HB2 LEU A 450 2.981 0.577 -0.187 1.00 54.14 H new ATOM 0 HB3 LEU A 450 1.567 0.927 -1.162 1.00 54.14 H new ATOM 0 HG LEU A 450 2.881 -0.153 -3.111 1.00 61.25 H new ATOM 0 HD11 LEU A 450 4.472 -1.954 -2.503 1.00 50.52 H new ATOM 0 HD12 LEU A 450 5.098 -0.329 -2.137 1.00 50.52 H new ATOM 0 HD13 LEU A 450 4.478 -1.360 -0.826 1.00 50.52 H new ATOM 0 HD21 LEU A 450 2.082 -2.447 -2.420 1.00 55.13 H new ATOM 0 HD22 LEU A 450 1.888 -1.849 -0.754 1.00 55.13 H new ATOM 0 HD23 LEU A 450 0.882 -1.182 -2.062 1.00 55.13 H new ATOM 2192 N ASN A 451 5.259 2.115 -3.004 1.00 34.41 N ATOM 2193 CA ASN A 451 6.687 2.197 -3.350 1.00 13.10 C ATOM 2194 C ASN A 451 7.221 3.609 -3.027 1.00 32.11 C ATOM 2195 O ASN A 451 8.234 3.764 -2.321 1.00 12.21 O ATOM 2196 CB ASN A 451 6.882 1.848 -4.859 1.00 32.12 C ATOM 2197 CG ASN A 451 8.347 1.797 -5.311 1.00 64.44 C ATOM 2198 OD1 ASN A 451 9.244 1.475 -4.535 1.00 4.51 O ATOM 2199 ND2 ASN A 451 8.595 2.075 -6.580 1.00 5.21 N ATOM 0 H ASN A 451 4.649 2.020 -3.816 1.00 34.41 H new ATOM 0 HA ASN A 451 7.253 1.477 -2.758 1.00 13.10 H new ATOM 0 HB2 ASN A 451 6.418 0.882 -5.059 1.00 32.12 H new ATOM 0 HB3 ASN A 451 6.353 2.586 -5.462 1.00 32.12 H new ATOM 0 HD21 ASN A 451 9.550 2.025 -6.936 1.00 5.21 H new ATOM 0 HD22 ASN A 451 7.832 2.340 -7.203 1.00 5.21 H new ATOM 2206 N ASN A 452 6.486 4.632 -3.526 1.00 63.32 N ATOM 2207 CA ASN A 452 6.816 6.060 -3.326 1.00 53.12 C ATOM 2208 C ASN A 452 6.745 6.438 -1.835 1.00 5.24 C ATOM 2209 O ASN A 452 7.636 7.137 -1.315 1.00 24.24 O ATOM 2210 CB ASN A 452 5.846 6.962 -4.140 1.00 24.41 C ATOM 2211 CG ASN A 452 6.141 8.472 -4.017 1.00 21.42 C ATOM 2212 OD1 ASN A 452 7.293 8.894 -3.900 1.00 52.00 O ATOM 2213 ND2 ASN A 452 5.103 9.295 -4.035 1.00 52.31 N ATOM 0 H ASN A 452 5.643 4.486 -4.082 1.00 63.32 H new ATOM 0 HA ASN A 452 7.835 6.219 -3.679 1.00 53.12 H new ATOM 0 HB2 ASN A 452 5.897 6.677 -5.191 1.00 24.41 H new ATOM 0 HB3 ASN A 452 4.825 6.773 -3.807 1.00 24.41 H new ATOM 0 HD21 ASN A 452 5.248 10.301 -3.951 1.00 52.31 H new ATOM 0 HD22 ASN A 452 4.158 8.923 -4.133 1.00 52.31 H new ATOM 2220 N THR A 453 5.686 5.958 -1.153 1.00 41.13 N ATOM 2221 CA THR A 453 5.452 6.255 0.261 1.00 53.33 C ATOM 2222 C THR A 453 6.616 5.730 1.106 1.00 11.05 C ATOM 2223 O THR A 453 7.360 6.531 1.671 1.00 23.31 O ATOM 2224 CB THR A 453 4.088 5.690 0.792 1.00 60.53 C ATOM 2225 OG1 THR A 453 4.003 4.314 0.493 1.00 65.25 O ATOM 2226 CG2 THR A 453 2.857 6.417 0.203 1.00 21.42 C ATOM 0 H THR A 453 4.976 5.357 -1.571 1.00 41.13 H new ATOM 0 HA THR A 453 5.391 7.340 0.352 1.00 53.33 H new ATOM 0 HB THR A 453 4.073 5.858 1.869 1.00 60.53 H new ATOM 0 HG1 THR A 453 3.207 3.935 0.921 1.00 65.25 H new ATOM 0 HG21 THR A 453 1.946 5.978 0.610 1.00 21.42 H new ATOM 0 HG22 THR A 453 2.899 7.474 0.465 1.00 21.42 H new ATOM 0 HG23 THR A 453 2.857 6.311 -0.882 1.00 21.42 H new ATOM 2234 N SER A 454 6.817 4.391 1.099 1.00 64.24 N ATOM 2235 CA SER A 454 7.882 3.718 1.873 1.00 23.24 C ATOM 2236 C SER A 454 9.265 4.323 1.604 1.00 41.33 C ATOM 2237 O SER A 454 10.110 4.354 2.499 1.00 13.23 O ATOM 2238 CB SER A 454 7.902 2.220 1.549 1.00 25.13 C ATOM 2239 OG SER A 454 8.157 2.011 0.172 1.00 41.42 O ATOM 0 H SER A 454 6.243 3.747 0.555 1.00 64.24 H new ATOM 0 HA SER A 454 7.656 3.866 2.929 1.00 23.24 H new ATOM 0 HB2 SER A 454 8.667 1.724 2.145 1.00 25.13 H new ATOM 0 HB3 SER A 454 6.946 1.771 1.820 1.00 25.13 H new ATOM 0 HG SER A 454 7.314 2.051 -0.327 1.00 41.42 H new ATOM 2245 N SER A 455 9.474 4.810 0.362 1.00 0.14 N ATOM 2246 CA SER A 455 10.718 5.481 -0.033 1.00 3.11 C ATOM 2247 C SER A 455 10.974 6.744 0.831 1.00 55.33 C ATOM 2248 O SER A 455 11.986 6.813 1.549 1.00 63.44 O ATOM 2249 CB SER A 455 10.671 5.830 -1.533 1.00 13.23 C ATOM 2250 OG SER A 455 11.879 6.432 -1.969 1.00 5.15 O ATOM 0 H SER A 455 8.785 4.747 -0.387 1.00 0.14 H new ATOM 0 HA SER A 455 11.551 4.800 0.139 1.00 3.11 H new ATOM 0 HB2 SER A 455 10.486 4.925 -2.112 1.00 13.23 H new ATOM 0 HB3 SER A 455 9.838 6.506 -1.723 1.00 13.23 H new ATOM 0 HG SER A 455 11.815 6.639 -2.925 1.00 5.15 H new ATOM 2256 N TYR A 456 10.039 7.727 0.805 1.00 2.24 N ATOM 2257 CA TYR A 456 10.204 8.965 1.611 1.00 74.14 C ATOM 2258 C TYR A 456 9.968 8.719 3.121 1.00 43.42 C ATOM 2259 O TYR A 456 10.424 9.506 3.952 1.00 24.31 O ATOM 2260 CB TYR A 456 9.374 10.173 1.066 1.00 31.24 C ATOM 2261 CG TYR A 456 7.848 9.993 0.913 1.00 14.51 C ATOM 2262 CD1 TYR A 456 7.022 9.743 2.012 1.00 14.43 C ATOM 2263 CD2 TYR A 456 7.226 10.141 -0.335 1.00 14.25 C ATOM 2264 CE1 TYR A 456 5.655 9.629 1.874 1.00 4.11 C ATOM 2265 CE2 TYR A 456 5.854 10.024 -0.473 1.00 74.50 C ATOM 2266 CZ TYR A 456 5.076 9.777 0.634 1.00 61.41 C ATOM 2267 OH TYR A 456 3.710 9.660 0.498 1.00 11.33 O ATOM 0 H TYR A 456 9.184 7.691 0.250 1.00 2.24 H new ATOM 0 HA TYR A 456 11.249 9.254 1.500 1.00 74.14 H new ATOM 0 HB2 TYR A 456 9.546 11.022 1.728 1.00 31.24 H new ATOM 0 HB3 TYR A 456 9.778 10.443 0.090 1.00 31.24 H new ATOM 0 HD1 TYR A 456 7.464 9.637 2.991 1.00 14.43 H new ATOM 0 HD2 TYR A 456 7.830 10.350 -1.206 1.00 14.25 H new ATOM 0 HE1 TYR A 456 5.039 9.424 2.737 1.00 4.11 H new ATOM 0 HE2 TYR A 456 5.396 10.126 -1.446 1.00 74.50 H new ATOM 0 HH TYR A 456 3.462 9.793 -0.441 1.00 11.33 H new ATOM 2277 N LEU A 457 9.253 7.626 3.458 1.00 23.10 N ATOM 2278 CA LEU A 457 9.022 7.213 4.858 1.00 45.03 C ATOM 2279 C LEU A 457 10.332 6.734 5.503 1.00 54.21 C ATOM 2280 O LEU A 457 10.596 7.048 6.660 1.00 22.43 O ATOM 2281 CB LEU A 457 7.949 6.084 4.962 1.00 40.32 C ATOM 2282 CG LEU A 457 6.476 6.473 4.629 1.00 1.32 C ATOM 2283 CD1 LEU A 457 5.531 5.250 4.754 1.00 4.32 C ATOM 2284 CD2 LEU A 457 6.011 7.643 5.505 1.00 14.23 C ATOM 0 H LEU A 457 8.821 7.007 2.771 1.00 23.10 H new ATOM 0 HA LEU A 457 8.650 8.088 5.392 1.00 45.03 H new ATOM 0 HB2 LEU A 457 8.244 5.274 4.295 1.00 40.32 H new ATOM 0 HB3 LEU A 457 7.973 5.686 5.977 1.00 40.32 H new ATOM 0 HG LEU A 457 6.438 6.803 3.591 1.00 1.32 H new ATOM 0 HD11 LEU A 457 4.511 5.552 4.516 1.00 4.32 H new ATOM 0 HD12 LEU A 457 5.850 4.471 4.061 1.00 4.32 H new ATOM 0 HD13 LEU A 457 5.567 4.865 5.773 1.00 4.32 H new ATOM 0 HD21 LEU A 457 4.981 7.897 5.256 1.00 14.23 H new ATOM 0 HD22 LEU A 457 6.070 7.357 6.555 1.00 14.23 H new ATOM 0 HD23 LEU A 457 6.651 8.507 5.328 1.00 14.23 H new ATOM 2296 N THR A 458 11.146 5.966 4.744 1.00 33.53 N ATOM 2297 CA THR A 458 12.422 5.424 5.258 1.00 21.15 C ATOM 2298 C THR A 458 13.517 6.503 5.285 1.00 70.34 C ATOM 2299 O THR A 458 14.423 6.441 6.119 1.00 63.11 O ATOM 2300 CB THR A 458 12.900 4.139 4.488 1.00 73.13 C ATOM 2301 OG1 THR A 458 14.010 3.550 5.175 1.00 63.03 O ATOM 2302 CG2 THR A 458 13.303 4.402 3.031 1.00 32.32 C ATOM 0 H THR A 458 10.942 5.709 3.778 1.00 33.53 H new ATOM 0 HA THR A 458 12.230 5.110 6.284 1.00 21.15 H new ATOM 0 HB THR A 458 12.044 3.465 4.465 1.00 73.13 H new ATOM 0 HG1 THR A 458 14.305 2.749 4.694 1.00 63.03 H new ATOM 0 HG21 THR A 458 13.621 3.468 2.567 1.00 32.32 H new ATOM 0 HG22 THR A 458 12.451 4.807 2.485 1.00 32.32 H new ATOM 0 HG23 THR A 458 14.124 5.118 3.004 1.00 32.32 H new ATOM 2310 N GLN A 459 13.417 7.503 4.380 1.00 25.42 N ATOM 2311 CA GLN A 459 14.255 8.726 4.454 1.00 73.51 C ATOM 2312 C GLN A 459 13.993 9.455 5.789 1.00 64.21 C ATOM 2313 O GLN A 459 14.919 9.737 6.572 1.00 41.50 O ATOM 2314 CB GLN A 459 13.941 9.688 3.280 1.00 23.03 C ATOM 2315 CG GLN A 459 14.215 9.140 1.874 1.00 72.20 C ATOM 2316 CD GLN A 459 13.891 10.132 0.741 1.00 24.44 C ATOM 2317 OE1 GLN A 459 12.883 10.986 0.923 1.00 40.32 O flip ATOM 2318 NE2 GLN A 459 14.539 10.124 -0.308 1.00 4.11 N flip ATOM 0 H GLN A 459 12.768 7.490 3.593 1.00 25.42 H new ATOM 0 HA GLN A 459 15.301 8.426 4.390 1.00 73.51 H new ATOM 0 HB2 GLN A 459 12.890 9.973 3.340 1.00 23.03 H new ATOM 0 HB3 GLN A 459 14.526 10.598 3.415 1.00 23.03 H new ATOM 0 HG2 GLN A 459 15.265 8.855 1.804 1.00 72.20 H new ATOM 0 HG3 GLN A 459 13.628 8.233 1.728 1.00 72.20 H new ATOM 0 HE21 GLN A 459 15.307 9.463 -0.428 1.00 4.11 H new ATOM 0 HE22 GLN A 459 14.308 10.778 -1.055 1.00 4.11 H new ATOM 2327 N GLN A 460 12.691 9.715 6.029 1.00 1.05 N ATOM 2328 CA GLN A 460 12.196 10.388 7.236 1.00 70.21 C ATOM 2329 C GLN A 460 12.504 9.562 8.495 1.00 62.35 C ATOM 2330 O GLN A 460 12.794 10.128 9.534 1.00 2.40 O ATOM 2331 CB GLN A 460 10.666 10.649 7.111 1.00 44.40 C ATOM 2332 CG GLN A 460 10.013 11.395 8.302 1.00 44.55 C ATOM 2333 CD GLN A 460 10.583 12.800 8.546 1.00 24.42 C ATOM 2334 OE1 GLN A 460 10.106 13.786 7.980 1.00 14.43 O ATOM 2335 NE2 GLN A 460 11.595 12.906 9.402 1.00 40.55 N ATOM 0 H GLN A 460 11.949 9.458 5.378 1.00 1.05 H new ATOM 0 HA GLN A 460 12.710 11.344 7.332 1.00 70.21 H new ATOM 0 HB2 GLN A 460 10.487 11.225 6.203 1.00 44.40 H new ATOM 0 HB3 GLN A 460 10.162 9.691 6.985 1.00 44.40 H new ATOM 0 HG2 GLN A 460 8.941 11.475 8.124 1.00 44.55 H new ATOM 0 HG3 GLN A 460 10.142 10.799 9.206 1.00 44.55 H new ATOM 0 HE21 GLN A 460 11.969 12.072 9.855 1.00 40.55 H new ATOM 0 HE22 GLN A 460 11.997 13.821 9.605 1.00 40.55 H new ATOM 2344 N PHE A 461 12.464 8.218 8.373 1.00 22.21 N ATOM 2345 CA PHE A 461 12.721 7.293 9.497 1.00 0.11 C ATOM 2346 C PHE A 461 14.181 7.366 9.946 1.00 74.21 C ATOM 2347 O PHE A 461 14.447 7.515 11.131 1.00 10.12 O ATOM 2348 CB PHE A 461 12.369 5.830 9.118 1.00 62.23 C ATOM 2349 CG PHE A 461 12.747 4.780 10.174 1.00 1.51 C ATOM 2350 CD1 PHE A 461 12.262 4.869 11.482 1.00 42.21 C ATOM 2351 CD2 PHE A 461 13.602 3.715 9.864 1.00 4.54 C ATOM 2352 CE1 PHE A 461 12.617 3.934 12.436 1.00 71.44 C ATOM 2353 CE2 PHE A 461 13.950 2.780 10.822 1.00 0.24 C ATOM 2354 CZ PHE A 461 13.459 2.893 12.108 1.00 2.30 C ATOM 0 H PHE A 461 12.253 7.745 7.494 1.00 22.21 H new ATOM 0 HA PHE A 461 12.079 7.605 10.321 1.00 0.11 H new ATOM 0 HB2 PHE A 461 11.297 5.766 8.931 1.00 62.23 H new ATOM 0 HB3 PHE A 461 12.871 5.581 8.183 1.00 62.23 H new ATOM 0 HD1 PHE A 461 11.601 5.680 11.751 1.00 42.21 H new ATOM 0 HD2 PHE A 461 13.995 3.622 8.862 1.00 4.54 H new ATOM 0 HE1 PHE A 461 12.233 4.019 13.442 1.00 71.44 H new ATOM 0 HE2 PHE A 461 14.606 1.961 10.564 1.00 0.24 H new ATOM 0 HZ PHE A 461 13.735 2.165 12.857 1.00 2.30 H new ATOM 2364 N THR A 462 15.109 7.243 8.983 1.00 34.32 N ATOM 2365 CA THR A 462 16.553 7.252 9.269 1.00 62.23 C ATOM 2366 C THR A 462 16.980 8.607 9.878 1.00 24.24 C ATOM 2367 O THR A 462 17.851 8.659 10.745 1.00 44.32 O ATOM 2368 CB THR A 462 17.379 6.939 7.976 1.00 54.31 C ATOM 2369 OG1 THR A 462 16.874 5.738 7.366 1.00 73.20 O ATOM 2370 CG2 THR A 462 18.882 6.751 8.269 1.00 52.42 C ATOM 0 H THR A 462 14.883 7.136 7.994 1.00 34.32 H new ATOM 0 HA THR A 462 16.760 6.470 9.999 1.00 62.23 H new ATOM 0 HB THR A 462 17.271 7.794 7.308 1.00 54.31 H new ATOM 0 HG1 THR A 462 16.039 5.937 6.894 1.00 73.20 H new ATOM 0 HG21 THR A 462 19.410 6.536 7.340 1.00 52.42 H new ATOM 0 HG22 THR A 462 19.283 7.663 8.712 1.00 52.42 H new ATOM 0 HG23 THR A 462 19.016 5.921 8.963 1.00 52.42 H new ATOM 2378 N ALA A 463 16.319 9.690 9.433 1.00 2.22 N ATOM 2379 CA ALA A 463 16.515 11.043 9.989 1.00 64.04 C ATOM 2380 C ALA A 463 15.927 11.161 11.418 1.00 23.24 C ATOM 2381 O ALA A 463 16.588 11.635 12.346 1.00 20.25 O ATOM 2382 CB ALA A 463 15.873 12.070 9.048 1.00 33.43 C ATOM 0 H ALA A 463 15.634 9.653 8.678 1.00 2.22 H new ATOM 0 HA ALA A 463 17.584 11.239 10.067 1.00 64.04 H new ATOM 0 HB1 ALA A 463 16.014 13.072 9.453 1.00 33.43 H new ATOM 0 HB2 ALA A 463 16.341 12.006 8.066 1.00 33.43 H new ATOM 0 HB3 ALA A 463 14.807 11.863 8.956 1.00 33.43 H new ATOM 2388 N MET A 464 14.685 10.673 11.576 1.00 12.43 N ATOM 2389 CA MET A 464 13.895 10.800 12.827 1.00 43.12 C ATOM 2390 C MET A 464 14.475 9.914 13.943 1.00 12.00 C ATOM 2391 O MET A 464 14.336 10.215 15.130 1.00 11.32 O ATOM 2392 CB MET A 464 12.415 10.432 12.530 1.00 32.33 C ATOM 2393 CG MET A 464 11.437 10.575 13.698 1.00 34.13 C ATOM 2394 SD MET A 464 9.727 10.285 13.199 1.00 4.31 S ATOM 2395 CE MET A 464 9.389 11.691 12.134 1.00 20.20 C ATOM 0 H MET A 464 14.191 10.174 10.836 1.00 12.43 H new ATOM 0 HA MET A 464 13.945 11.830 13.180 1.00 43.12 H new ATOM 0 HB2 MET A 464 12.064 11.059 11.710 1.00 32.33 H new ATOM 0 HB3 MET A 464 12.382 9.400 12.180 1.00 32.33 H new ATOM 0 HG2 MET A 464 11.708 9.871 14.484 1.00 34.13 H new ATOM 0 HG3 MET A 464 11.525 11.575 14.122 1.00 34.13 H new ATOM 0 HE1 MET A 464 8.327 11.717 11.891 1.00 20.20 H new ATOM 0 HE2 MET A 464 9.666 12.612 12.648 1.00 20.20 H new ATOM 0 HE3 MET A 464 9.969 11.599 11.216 1.00 20.20 H new ATOM 2405 N ASN A 465 15.127 8.824 13.527 1.00 11.14 N ATOM 2406 CA ASN A 465 15.787 7.873 14.431 1.00 44.53 C ATOM 2407 C ASN A 465 17.206 8.397 14.743 1.00 2.42 C ATOM 2408 O ASN A 465 17.531 8.659 15.906 1.00 71.23 O ATOM 2409 CB ASN A 465 15.797 6.452 13.784 1.00 34.54 C ATOM 2410 CG ASN A 465 16.261 5.318 14.718 1.00 74.24 C ATOM 2411 OD1 ASN A 465 17.116 5.504 15.580 1.00 13.01 O ATOM 2412 ND2 ASN A 465 15.701 4.129 14.551 1.00 71.41 N ATOM 0 H ASN A 465 15.213 8.573 12.542 1.00 11.14 H new ATOM 0 HA ASN A 465 15.246 7.786 15.373 1.00 44.53 H new ATOM 0 HB2 ASN A 465 14.792 6.223 13.430 1.00 34.54 H new ATOM 0 HB3 ASN A 465 16.447 6.471 12.909 1.00 34.54 H new ATOM 0 HD21 ASN A 465 15.978 3.347 15.144 1.00 71.41 H new ATOM 0 HD22 ASN A 465 14.993 3.996 13.829 1.00 71.41 H new ATOM 2419 N LYS A 466 18.054 8.549 13.701 1.00 22.41 N ATOM 2420 CA LYS A 466 19.417 9.110 13.850 1.00 31.52 C ATOM 2421 C LYS A 466 19.641 10.335 12.921 1.00 31.20 C ATOM 2422 O LYS A 466 20.199 10.209 11.829 1.00 44.32 O ATOM 2423 CB LYS A 466 20.522 8.008 13.666 1.00 62.21 C ATOM 2424 CG LYS A 466 20.514 7.205 12.326 1.00 71.34 C ATOM 2425 CD LYS A 466 19.423 6.111 12.242 1.00 61.44 C ATOM 2426 CE LYS A 466 19.613 4.992 13.279 1.00 1.31 C ATOM 2427 NZ LYS A 466 20.898 4.262 13.103 1.00 62.04 N ATOM 0 H LYS A 466 17.817 8.290 12.743 1.00 22.41 H new ATOM 0 HA LYS A 466 19.508 9.476 14.873 1.00 31.52 H new ATOM 0 HB2 LYS A 466 21.496 8.486 13.767 1.00 62.21 H new ATOM 0 HB3 LYS A 466 20.429 7.297 14.487 1.00 62.21 H new ATOM 0 HG2 LYS A 466 20.376 7.902 11.500 1.00 71.34 H new ATOM 0 HG3 LYS A 466 21.490 6.739 12.190 1.00 71.34 H new ATOM 0 HD2 LYS A 466 18.445 6.570 12.386 1.00 61.44 H new ATOM 0 HD3 LYS A 466 19.428 5.677 11.242 1.00 61.44 H new ATOM 0 HE2 LYS A 466 19.577 5.420 14.281 1.00 1.31 H new ATOM 0 HE3 LYS A 466 18.785 4.287 13.203 1.00 1.31 H new ATOM 0 HZ1 LYS A 466 20.925 3.446 13.747 1.00 62.04 H new ATOM 0 HZ2 LYS A 466 20.977 3.930 12.120 1.00 62.04 H new ATOM 0 HZ3 LYS A 466 21.691 4.899 13.318 1.00 62.04 H new ATOM 2441 N SER A 467 19.114 11.511 13.331 1.00 74.32 N ATOM 2442 CA SER A 467 19.515 12.826 12.778 1.00 3.42 C ATOM 2443 C SER A 467 21.065 12.964 12.707 1.00 50.21 C ATOM 2444 O SER A 467 21.714 13.010 13.778 1.00 2.51 O ATOM 2445 CB SER A 467 18.908 13.961 13.647 1.00 32.33 C ATOM 2446 OG SER A 467 17.501 13.837 13.772 1.00 5.12 O ATOM 2447 OXT SER A 467 21.619 13.025 11.592 1.00 37.50 O ATOM 0 H SER A 467 18.398 11.576 14.055 1.00 74.32 H new ATOM 0 HA SER A 467 19.132 12.904 11.760 1.00 3.42 H new ATOM 0 HB2 SER A 467 19.363 13.943 14.637 1.00 32.33 H new ATOM 0 HB3 SER A 467 19.149 14.927 13.203 1.00 32.33 H new ATOM 0 HG SER A 467 17.189 13.087 13.225 1.00 5.12 H new