USER MOD reduce.3.24.130724 H: found=0, std=0, add=1234, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 1234 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 79 LYS NZ :NH3+ 173:sc= 0.668 (180deg=0) USER MOD Set 1.2: A 451 ASN : amide:sc= 0.6 K(o=1.3,f=-2.6) USER MOD Set 2.1: A 18 SER OG : rot -20:sc= 0.883 USER MOD Set 2.2: A 74 ASN :FLIP amide:sc= 0.19 F(o=-0.23,f=1.1) USER MOD Set 3.1: A 40 TYR OH : rot 1:sc= 0.384 USER MOD Set 3.2: A 71 THR OG1 : rot -140:sc= 0.921 USER MOD Set 4.1: A 2 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -166:sc= 0 (180deg=-0.166) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc=-0.00341 X(o=-0.0034,f=-0.1) USER MOD Single : A 12 GLN : amide:sc= 0.0639 K(o=0.064,f=-1.6) USER MOD Single : A 19 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 20 SER OG : rot 76:sc= 0.586 USER MOD Single : A 26 GLN :FLIP amide:sc=-0.00899 F(o=-1.6,f=-0.009) USER MOD Single : A 35 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.0036) USER MOD Single : A 36 GLN : amide:sc= -0.208 K(o=-0.21,f=-2.7!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.414 X(o=-0.41,f=0) USER MOD Single : A 43 SER OG : rot 71:sc= 1.09 USER MOD Single : A 46 THR OG1 : rot 49:sc= 0.181 USER MOD Single : A 48 MET CE :methyl -125:sc= -0.214 (180deg=-3.07!) USER MOD Single : A 50 LYS NZ :NH3+ -169:sc= 1.16 (180deg=1.06) USER MOD Single : A 51 GLN : amide:sc= 0.0979 X(o=0.098,f=0) USER MOD Single : A 52 THR OG1 : rot 110:sc= 0.0187 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0585 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 63 MET CE :methyl 176:sc= -3.29! (180deg=-3.35!) 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= -0.129 F(o=-1.2,f=-0.13) USER MOD Single : A 76 GLN : amide:sc= -0.324 X(o=-0.32,f=0) USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 84 GLN :FLIP amide:sc=-0.00244 F(o=-0.77,f=-0.0024) 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 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc= -0.833 X(o=-0.83,f=-1) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 428 SER OG : rot 180:sc= 0 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+ 176:sc= 0 (180deg=-0.0523) USER MOD Single : A 439 GLN : amide:sc= -0.2 K(o=-0.2,f=-1.3) USER MOD Single : A 441 THR OG1 : rot 81:sc= 0.926 USER MOD Single : A 442 GLN : amide:sc= -0.474 X(o=-0.47,f=-0.0012) USER MOD Single : A 445 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 MET CE :methyl -128:sc= -0.596 (180deg=-2.79!) USER MOD Single : A 447 MET CE :methyl -122:sc= -1.33 (180deg=-3.49) USER MOD Single : A 448 SER OG : rot 180:sc= -0.0231 USER MOD Single : A 449 LYS NZ :NH3+ -178:sc= 0.539 (180deg=0.536) USER MOD Single : A 452 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 453 THR OG1 : rot 151:sc= -1.29 USER MOD Single : A 454 SER OG : rot -19:sc= 0.338 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 TYR OH : rot 180:sc= -0.822 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 459 GLN :FLIP amide:sc= -0.0102 F(o=-0.84,f=-0.01) USER MOD Single : A 460 GLN : amide:sc= -0.0407 X(o=-0.041,f=0) USER MOD Single : A 462 THR OG1 : rot 75:sc= 0.765 USER MOD Single : A 464 MET CE :methyl -135:sc= -0.0675 (180deg=-0.354) USER MOD Single : A 465 ASN : amide:sc= -0.774 X(o=-0.77,f=-0.69) USER MOD Single : A 466 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0332) USER MOD Single : A 467 SER OG : rot 43:sc= 0.12 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.834 21.485 20.749 1.00 22.12 N ATOM 2 CA MET A 1 -0.804 21.419 19.687 1.00 14.33 C ATOM 3 C MET A 1 -1.372 20.692 18.450 1.00 15.32 C ATOM 4 O MET A 1 -1.190 19.490 18.290 1.00 54.32 O ATOM 5 CB MET A 1 0.509 20.759 20.225 1.00 13.51 C ATOM 6 CG MET A 1 0.347 19.376 20.888 1.00 40.23 C ATOM 7 SD MET A 1 1.933 18.663 21.378 1.00 10.34 S ATOM 8 CE MET A 1 1.445 17.042 21.964 1.00 53.50 C ATOM 0 H1 MET A 1 -1.445 21.976 21.579 1.00 22.12 H new ATOM 0 H2 MET A 1 -2.663 22.004 20.397 1.00 22.12 H new ATOM 0 H3 MET A 1 -2.118 20.521 21.018 1.00 22.12 H new ATOM 0 HA MET A 1 -0.536 22.430 19.378 1.00 14.33 H new ATOM 0 HB2 MET A 1 1.210 20.663 19.396 1.00 13.51 H new ATOM 0 HB3 MET A 1 0.962 21.436 20.949 1.00 13.51 H new ATOM 0 HG2 MET A 1 -0.294 19.468 21.765 1.00 40.23 H new ATOM 0 HG3 MET A 1 -0.155 18.700 20.196 1.00 40.23 H new ATOM 0 HE1 MET A 1 2.268 16.593 22.520 1.00 53.50 H new ATOM 0 HE2 MET A 1 0.576 17.137 22.616 1.00 53.50 H new ATOM 0 HE3 MET A 1 1.193 16.408 21.114 1.00 53.50 H new ATOM 20 N THR A 2 -2.079 21.453 17.587 1.00 4.22 N ATOM 21 CA THR A 2 -2.843 20.915 16.434 1.00 24.02 C ATOM 22 C THR A 2 -1.988 20.041 15.483 1.00 65.03 C ATOM 23 O THR A 2 -2.303 18.862 15.271 1.00 32.53 O ATOM 24 CB THR A 2 -3.511 22.087 15.636 1.00 50.02 C ATOM 25 OG1 THR A 2 -2.531 23.104 15.366 1.00 2.23 O ATOM 26 CG2 THR A 2 -4.702 22.704 16.399 1.00 52.03 C ATOM 0 H THR A 2 -2.138 22.468 17.669 1.00 4.22 H new ATOM 0 HA THR A 2 -3.610 20.261 16.849 1.00 24.02 H new ATOM 0 HB THR A 2 -3.895 21.676 14.703 1.00 50.02 H new ATOM 0 HG1 THR A 2 -2.948 23.836 14.866 1.00 2.23 H new ATOM 0 HG21 THR A 2 -5.133 23.512 15.808 1.00 52.03 H new ATOM 0 HG22 THR A 2 -5.458 21.939 16.574 1.00 52.03 H new ATOM 0 HG23 THR A 2 -4.357 23.098 17.355 1.00 52.03 H new ATOM 34 N SER A 3 -0.902 20.625 14.950 1.00 43.51 N ATOM 35 CA SER A 3 -0.026 19.971 13.959 1.00 73.35 C ATOM 36 C SER A 3 0.677 18.721 14.552 1.00 71.23 C ATOM 37 O SER A 3 0.833 17.689 13.874 1.00 13.11 O ATOM 38 CB SER A 3 1.014 20.989 13.443 1.00 22.52 C ATOM 39 OG SER A 3 0.394 22.190 13.011 1.00 61.34 O ATOM 0 H SER A 3 -0.604 21.569 15.195 1.00 43.51 H new ATOM 0 HA SER A 3 -0.642 19.628 13.128 1.00 73.35 H new ATOM 0 HB2 SER A 3 1.730 21.212 14.234 1.00 22.52 H new ATOM 0 HB3 SER A 3 1.576 20.551 12.618 1.00 22.52 H new ATOM 0 HG SER A 3 1.078 22.815 12.692 1.00 61.34 H new ATOM 45 N THR A 4 1.059 18.818 15.835 1.00 24.11 N ATOM 46 CA THR A 4 1.805 17.758 16.529 1.00 70.21 C ATOM 47 C THR A 4 0.876 16.597 16.958 1.00 13.41 C ATOM 48 O THR A 4 1.289 15.438 16.913 1.00 3.33 O ATOM 49 CB THR A 4 2.575 18.329 17.768 1.00 20.44 C ATOM 50 OG1 THR A 4 3.322 19.490 17.368 1.00 21.30 O ATOM 51 CG2 THR A 4 3.547 17.304 18.390 1.00 52.43 C ATOM 0 H THR A 4 0.860 19.631 16.418 1.00 24.11 H new ATOM 0 HA THR A 4 2.535 17.361 15.823 1.00 70.21 H new ATOM 0 HB THR A 4 1.830 18.579 18.523 1.00 20.44 H new ATOM 0 HG1 THR A 4 3.804 19.851 18.141 1.00 21.30 H new ATOM 0 HG21 THR A 4 4.053 17.754 19.244 1.00 52.43 H new ATOM 0 HG22 THR A 4 2.989 16.427 18.719 1.00 52.43 H new ATOM 0 HG23 THR A 4 4.286 17.006 17.646 1.00 52.43 H new ATOM 59 N VAL A 5 -0.388 16.898 17.340 1.00 13.02 N ATOM 60 CA VAL A 5 -1.325 15.853 17.824 1.00 52.21 C ATOM 61 C VAL A 5 -1.855 15.012 16.643 1.00 4.21 C ATOM 62 O VAL A 5 -1.958 13.786 16.752 1.00 4.11 O ATOM 63 CB VAL A 5 -2.520 16.431 18.695 1.00 14.15 C ATOM 64 CG1 VAL A 5 -3.480 17.326 17.881 1.00 2.21 C ATOM 65 CG2 VAL A 5 -3.297 15.293 19.407 1.00 31.34 C ATOM 0 H VAL A 5 -0.779 17.840 17.324 1.00 13.02 H new ATOM 0 HA VAL A 5 -0.753 15.209 18.492 1.00 52.21 H new ATOM 0 HB VAL A 5 -2.065 17.068 19.453 1.00 14.15 H new ATOM 0 HG11 VAL A 5 -4.276 17.691 18.530 1.00 2.21 H new ATOM 0 HG12 VAL A 5 -2.929 18.172 17.471 1.00 2.21 H new ATOM 0 HG13 VAL A 5 -3.914 16.747 17.066 1.00 2.21 H new ATOM 0 HG21 VAL A 5 -4.109 15.720 19.996 1.00 31.34 H new ATOM 0 HG22 VAL A 5 -3.708 14.612 18.662 1.00 31.34 H new ATOM 0 HG23 VAL A 5 -2.621 14.747 20.064 1.00 31.34 H new ATOM 75 N GLU A 6 -2.146 15.676 15.499 1.00 24.13 N ATOM 76 CA GLU A 6 -2.588 14.985 14.272 1.00 0.43 C ATOM 77 C GLU A 6 -1.452 14.080 13.753 1.00 25.34 C ATOM 78 O GLU A 6 -1.695 12.959 13.332 1.00 13.43 O ATOM 79 CB GLU A 6 -3.042 16.010 13.197 1.00 64.21 C ATOM 80 CG GLU A 6 -1.933 16.958 12.721 1.00 73.51 C ATOM 81 CD GLU A 6 -2.378 17.998 11.692 1.00 12.13 C ATOM 82 OE1 GLU A 6 -3.061 18.971 12.070 1.00 62.22 O ATOM 83 OE2 GLU A 6 -2.029 17.859 10.506 1.00 30.35 O ATOM 0 H GLU A 6 -2.081 16.690 15.404 1.00 24.13 H new ATOM 0 HA GLU A 6 -3.450 14.358 14.501 1.00 0.43 H new ATOM 0 HB2 GLU A 6 -3.434 15.467 12.337 1.00 64.21 H new ATOM 0 HB3 GLU A 6 -3.863 16.603 13.601 1.00 64.21 H new ATOM 0 HG2 GLU A 6 -1.521 17.477 13.587 1.00 73.51 H new ATOM 0 HG3 GLU A 6 -1.126 16.364 12.292 1.00 73.51 H new ATOM 90 N PHE A 7 -0.204 14.592 13.834 1.00 75.23 N ATOM 91 CA PHE A 7 1.026 13.822 13.572 1.00 10.55 C ATOM 92 C PHE A 7 1.028 12.483 14.380 1.00 51.23 C ATOM 93 O PHE A 7 1.113 11.406 13.786 1.00 62.14 O ATOM 94 CB PHE A 7 2.231 14.741 13.922 1.00 11.25 C ATOM 95 CG PHE A 7 3.625 14.125 13.838 1.00 31.11 C ATOM 96 CD1 PHE A 7 4.329 14.087 12.634 1.00 64.11 C ATOM 97 CD2 PHE A 7 4.249 13.611 14.979 1.00 21.44 C ATOM 98 CE1 PHE A 7 5.607 13.555 12.580 1.00 42.40 C ATOM 99 CE2 PHE A 7 5.519 13.080 14.912 1.00 50.14 C ATOM 100 CZ PHE A 7 6.195 13.054 13.714 1.00 44.43 C ATOM 0 H PHE A 7 -0.024 15.564 14.086 1.00 75.23 H new ATOM 0 HA PHE A 7 1.092 13.529 12.524 1.00 10.55 H new ATOM 0 HB2 PHE A 7 2.202 15.604 13.257 1.00 11.25 H new ATOM 0 HB3 PHE A 7 2.087 15.115 14.936 1.00 11.25 H new ATOM 0 HD1 PHE A 7 3.873 14.476 11.735 1.00 64.11 H new ATOM 0 HD2 PHE A 7 3.729 13.630 15.925 1.00 21.44 H new ATOM 0 HE1 PHE A 7 6.142 13.535 11.642 1.00 42.40 H new ATOM 0 HE2 PHE A 7 5.985 12.683 15.802 1.00 50.14 H new ATOM 0 HZ PHE A 7 7.191 12.638 13.666 1.00 44.43 H new ATOM 110 N ILE A 8 0.841 12.584 15.717 1.00 33.10 N ATOM 111 CA ILE A 8 0.820 11.429 16.655 1.00 13.22 C ATOM 112 C ILE A 8 -0.235 10.370 16.255 1.00 35.53 C ATOM 113 O ILE A 8 0.113 9.216 15.953 1.00 54.00 O ATOM 114 CB ILE A 8 0.529 11.928 18.133 1.00 53.50 C ATOM 115 CG1 ILE A 8 1.679 12.858 18.633 1.00 2.13 C ATOM 116 CG2 ILE A 8 0.288 10.749 19.118 1.00 74.25 C ATOM 117 CD1 ILE A 8 1.398 13.598 19.935 1.00 60.52 C ATOM 0 H ILE A 8 0.698 13.480 16.184 1.00 33.10 H new ATOM 0 HA ILE A 8 1.803 10.960 16.606 1.00 13.22 H new ATOM 0 HB ILE A 8 -0.396 12.504 18.106 1.00 53.50 H new ATOM 0 HG12 ILE A 8 2.579 12.257 18.763 1.00 2.13 H new ATOM 0 HG13 ILE A 8 1.894 13.592 17.856 1.00 2.13 H new ATOM 0 HG21 ILE A 8 0.093 11.142 20.116 1.00 74.25 H new ATOM 0 HG22 ILE A 8 -0.570 10.166 18.784 1.00 74.25 H new ATOM 0 HG23 ILE A 8 1.172 10.111 19.145 1.00 74.25 H new ATOM 0 HD11 ILE A 8 2.257 14.216 20.195 1.00 60.52 H new ATOM 0 HD12 ILE A 8 0.520 14.232 19.811 1.00 60.52 H new ATOM 0 HD13 ILE A 8 1.215 12.877 20.731 1.00 60.52 H new ATOM 129 N ASN A 9 -1.519 10.791 16.241 1.00 11.13 N ATOM 130 CA ASN A 9 -2.662 9.871 16.074 1.00 73.13 C ATOM 131 C ASN A 9 -2.681 9.215 14.686 1.00 0.54 C ATOM 132 O ASN A 9 -3.030 8.042 14.573 1.00 4.44 O ATOM 133 CB ASN A 9 -4.014 10.584 16.347 1.00 54.52 C ATOM 134 CG ASN A 9 -4.194 10.965 17.821 1.00 20.13 C ATOM 135 OD1 ASN A 9 -4.633 10.153 18.635 1.00 34.31 O ATOM 136 ND2 ASN A 9 -3.901 12.205 18.166 1.00 74.34 N ATOM 0 H ASN A 9 -1.789 11.769 16.344 1.00 11.13 H new ATOM 0 HA ASN A 9 -2.531 9.082 16.815 1.00 73.13 H new ATOM 0 HB2 ASN A 9 -4.077 11.483 15.733 1.00 54.52 H new ATOM 0 HB3 ASN A 9 -4.832 9.932 16.042 1.00 54.52 H new ATOM 0 HD21 ASN A 9 -4.037 12.512 19.129 1.00 74.34 H new ATOM 0 HD22 ASN A 9 -3.539 12.856 17.469 1.00 74.34 H new ATOM 143 N ARG A 10 -2.290 9.968 13.639 1.00 65.24 N ATOM 144 CA ARG A 10 -2.315 9.456 12.254 1.00 42.02 C ATOM 145 C ARG A 10 -1.188 8.444 12.015 1.00 44.53 C ATOM 146 O ARG A 10 -1.429 7.433 11.374 1.00 14.50 O ATOM 147 CB ARG A 10 -2.247 10.594 11.216 1.00 20.14 C ATOM 148 CG ARG A 10 -3.440 11.567 11.278 1.00 21.35 C ATOM 149 CD ARG A 10 -3.345 12.672 10.220 1.00 31.43 C ATOM 150 NE ARG A 10 -2.085 13.433 10.306 1.00 65.51 N ATOM 151 CZ ARG A 10 -1.908 14.683 9.863 1.00 0.11 C ATOM 152 NH1 ARG A 10 -2.904 15.363 9.301 1.00 21.40 N ATOM 153 NH2 ARG A 10 -0.724 15.262 9.999 1.00 2.02 N ATOM 0 H ARG A 10 -1.955 10.928 13.725 1.00 65.24 H new ATOM 0 HA ARG A 10 -3.270 8.946 12.124 1.00 42.02 H new ATOM 0 HB2 ARG A 10 -1.325 11.155 11.366 1.00 20.14 H new ATOM 0 HB3 ARG A 10 -2.197 10.159 10.218 1.00 20.14 H new ATOM 0 HG2 ARG A 10 -4.367 11.011 11.137 1.00 21.35 H new ATOM 0 HG3 ARG A 10 -3.486 12.019 12.269 1.00 21.35 H new ATOM 0 HD2 ARG A 10 -3.430 12.228 9.228 1.00 31.43 H new ATOM 0 HD3 ARG A 10 -4.186 13.355 10.337 1.00 31.43 H new ATOM 0 HE ARG A 10 -1.285 12.970 10.737 1.00 65.51 H new ATOM 0 HH11 ARG A 10 -3.823 14.932 9.201 1.00 21.40 H new ATOM 0 HH12 ARG A 10 -2.748 16.315 8.970 1.00 21.40 H new ATOM 0 HH21 ARG A 10 0.044 14.755 10.439 1.00 2.02 H new ATOM 0 HH22 ARG A 10 -0.581 16.215 9.664 1.00 2.02 H new ATOM 167 N TRP A 11 0.031 8.710 12.545 1.00 22.33 N ATOM 168 CA TRP A 11 1.146 7.725 12.491 1.00 30.24 C ATOM 169 C TRP A 11 0.768 6.429 13.229 1.00 73.13 C ATOM 170 O TRP A 11 1.131 5.326 12.795 1.00 50.20 O ATOM 171 CB TRP A 11 2.471 8.297 13.068 1.00 50.22 C ATOM 172 CG TRP A 11 3.248 9.179 12.114 1.00 12.45 C ATOM 173 CD1 TRP A 11 3.502 10.511 12.234 1.00 62.24 C ATOM 174 CD2 TRP A 11 3.888 8.771 10.893 1.00 21.54 C ATOM 175 NE1 TRP A 11 4.239 10.956 11.175 1.00 44.20 N ATOM 176 CE2 TRP A 11 4.494 9.913 10.342 1.00 22.12 C ATOM 177 CE3 TRP A 11 4.001 7.558 10.208 1.00 5.32 C ATOM 178 CZ2 TRP A 11 5.205 9.883 9.153 1.00 71.21 C ATOM 179 CZ3 TRP A 11 4.707 7.526 9.023 1.00 33.41 C ATOM 180 CH2 TRP A 11 5.300 8.687 8.507 1.00 25.12 C ATOM 0 H TRP A 11 0.268 9.586 13.010 1.00 22.33 H new ATOM 0 HA TRP A 11 1.315 7.503 11.437 1.00 30.24 H new ATOM 0 HB2 TRP A 11 2.243 8.870 13.967 1.00 50.22 H new ATOM 0 HB3 TRP A 11 3.107 7.466 13.373 1.00 50.22 H new ATOM 0 HD1 TRP A 11 3.167 11.130 13.053 1.00 62.24 H new ATOM 0 HE1 TRP A 11 4.549 11.917 11.032 1.00 44.20 H new ATOM 0 HE3 TRP A 11 3.544 6.661 10.599 1.00 5.32 H new ATOM 0 HZ2 TRP A 11 5.666 10.774 8.753 1.00 71.21 H new ATOM 0 HZ3 TRP A 11 4.804 6.594 8.486 1.00 33.41 H new ATOM 0 HH2 TRP A 11 5.845 8.632 7.576 1.00 25.12 H new ATOM 191 N GLN A 12 0.027 6.588 14.342 1.00 71.55 N ATOM 192 CA GLN A 12 -0.528 5.470 15.111 1.00 35.42 C ATOM 193 C GLN A 12 -1.453 4.628 14.218 1.00 13.40 C ATOM 194 O GLN A 12 -1.345 3.401 14.197 1.00 64.04 O ATOM 195 CB GLN A 12 -1.275 6.005 16.360 1.00 52.43 C ATOM 196 CG GLN A 12 -1.812 4.920 17.313 1.00 42.02 C ATOM 197 CD GLN A 12 -2.517 5.479 18.556 1.00 1.03 C ATOM 198 OE1 GLN A 12 -3.116 6.553 18.521 1.00 42.13 O ATOM 199 NE2 GLN A 12 -2.466 4.750 19.658 1.00 63.23 N ATOM 0 H GLN A 12 -0.202 7.503 14.731 1.00 71.55 H new ATOM 0 HA GLN A 12 0.282 4.827 15.456 1.00 35.42 H new ATOM 0 HB2 GLN A 12 -0.600 6.655 16.917 1.00 52.43 H new ATOM 0 HB3 GLN A 12 -2.110 6.622 16.028 1.00 52.43 H new ATOM 0 HG2 GLN A 12 -2.509 4.283 16.768 1.00 42.02 H new ATOM 0 HG3 GLN A 12 -0.984 4.287 17.631 1.00 42.02 H new ATOM 0 HE21 GLN A 12 -1.962 3.863 19.660 1.00 63.23 H new ATOM 0 HE22 GLN A 12 -2.930 5.075 20.506 1.00 63.23 H new ATOM 208 N ARG A 13 -2.312 5.316 13.429 1.00 41.54 N ATOM 209 CA ARG A 13 -3.212 4.653 12.467 1.00 22.22 C ATOM 210 C ARG A 13 -2.407 3.912 11.385 1.00 73.44 C ATOM 211 O ARG A 13 -2.723 2.788 11.068 1.00 65.13 O ATOM 212 CB ARG A 13 -4.180 5.653 11.777 1.00 0.02 C ATOM 213 CG ARG A 13 -5.032 6.505 12.730 1.00 1.41 C ATOM 214 CD ARG A 13 -5.867 5.676 13.722 1.00 14.23 C ATOM 215 NE ARG A 13 -6.456 6.524 14.773 1.00 14.31 N ATOM 216 CZ ARG A 13 -6.071 6.540 16.060 1.00 62.00 C ATOM 217 NH1 ARG A 13 -5.104 5.738 16.491 1.00 31.21 N ATOM 218 NH2 ARG A 13 -6.656 7.368 16.909 1.00 11.12 N ATOM 0 H ARG A 13 -2.397 6.332 13.443 1.00 41.54 H new ATOM 0 HA ARG A 13 -3.805 3.942 13.042 1.00 22.22 H new ATOM 0 HB2 ARG A 13 -3.596 6.320 11.143 1.00 0.02 H new ATOM 0 HB3 ARG A 13 -4.847 5.094 11.121 1.00 0.02 H new ATOM 0 HG2 ARG A 13 -4.377 7.173 13.289 1.00 1.41 H new ATOM 0 HG3 ARG A 13 -5.701 7.133 12.142 1.00 1.41 H new ATOM 0 HD2 ARG A 13 -6.661 5.156 13.185 1.00 14.23 H new ATOM 0 HD3 ARG A 13 -5.238 4.912 14.179 1.00 14.23 H new ATOM 0 HE ARG A 13 -7.216 7.148 14.502 1.00 14.31 H new ATOM 0 HH11 ARG A 13 -4.644 5.100 15.842 1.00 31.21 H new ATOM 0 HH12 ARG A 13 -4.822 5.761 17.471 1.00 31.21 H new ATOM 0 HH21 ARG A 13 -7.396 7.991 16.586 1.00 11.12 H new ATOM 0 HH22 ARG A 13 -6.367 7.384 17.887 1.00 11.12 H new ATOM 232 N ILE A 14 -1.346 4.563 10.865 1.00 64.53 N ATOM 233 CA ILE A 14 -0.502 4.026 9.772 1.00 73.21 C ATOM 234 C ILE A 14 0.113 2.660 10.168 1.00 23.20 C ATOM 235 O ILE A 14 0.091 1.722 9.377 1.00 51.04 O ATOM 236 CB ILE A 14 0.620 5.079 9.376 1.00 62.24 C ATOM 237 CG1 ILE A 14 -0.031 6.384 8.813 1.00 41.01 C ATOM 238 CG2 ILE A 14 1.628 4.508 8.356 1.00 55.42 C ATOM 239 CD1 ILE A 14 0.920 7.548 8.572 1.00 0.11 C ATOM 0 H ILE A 14 -1.047 5.482 11.192 1.00 64.53 H new ATOM 0 HA ILE A 14 -1.129 3.857 8.897 1.00 73.21 H new ATOM 0 HB ILE A 14 1.173 5.312 10.286 1.00 62.24 H new ATOM 0 HG12 ILE A 14 -0.527 6.144 7.872 1.00 41.01 H new ATOM 0 HG13 ILE A 14 -0.805 6.710 9.507 1.00 41.01 H new ATOM 0 HG21 ILE A 14 2.374 5.266 8.118 1.00 55.42 H new ATOM 0 HG22 ILE A 14 2.122 3.635 8.782 1.00 55.42 H new ATOM 0 HG23 ILE A 14 1.101 4.219 7.446 1.00 55.42 H new ATOM 0 HD11 ILE A 14 0.362 8.399 8.182 1.00 0.11 H new ATOM 0 HD12 ILE A 14 1.399 7.827 9.511 1.00 0.11 H new ATOM 0 HD13 ILE A 14 1.682 7.252 7.850 1.00 0.11 H new ATOM 251 N ALA A 15 0.587 2.554 11.426 1.00 3.23 N ATOM 252 CA ALA A 15 1.187 1.310 11.960 1.00 21.33 C ATOM 253 C ALA A 15 0.132 0.201 12.185 1.00 2.44 C ATOM 254 O ALA A 15 0.365 -0.973 11.843 1.00 5.32 O ATOM 255 CB ALA A 15 1.928 1.606 13.265 1.00 33.11 C ATOM 0 H ALA A 15 0.566 3.321 12.098 1.00 3.23 H new ATOM 0 HA ALA A 15 1.891 0.940 11.215 1.00 21.33 H new ATOM 0 HB1 ALA A 15 2.366 0.686 13.651 1.00 33.11 H new ATOM 0 HB2 ALA A 15 2.718 2.334 13.078 1.00 33.11 H new ATOM 0 HB3 ALA A 15 1.229 2.010 13.997 1.00 33.11 H new ATOM 261 N LEU A 16 -1.021 0.590 12.772 1.00 51.21 N ATOM 262 CA LEU A 16 -2.133 -0.339 13.072 1.00 71.22 C ATOM 263 C LEU A 16 -2.733 -0.919 11.769 1.00 61.41 C ATOM 264 O LEU A 16 -2.945 -2.135 11.654 1.00 45.42 O ATOM 265 CB LEU A 16 -3.242 0.386 13.900 1.00 44.21 C ATOM 266 CG LEU A 16 -2.831 0.904 15.322 1.00 22.05 C ATOM 267 CD1 LEU A 16 -3.999 1.663 16.006 1.00 25.32 C ATOM 268 CD2 LEU A 16 -2.302 -0.246 16.209 1.00 63.02 C ATOM 0 H LEU A 16 -1.207 1.553 13.050 1.00 51.21 H new ATOM 0 HA LEU A 16 -1.735 -1.163 13.664 1.00 71.22 H new ATOM 0 HB2 LEU A 16 -3.601 1.235 13.319 1.00 44.21 H new ATOM 0 HB3 LEU A 16 -4.082 -0.298 14.016 1.00 44.21 H new ATOM 0 HG LEU A 16 -2.015 1.614 15.191 1.00 22.05 H new ATOM 0 HD11 LEU A 16 -3.682 2.009 16.990 1.00 25.32 H new ATOM 0 HD12 LEU A 16 -4.284 2.519 15.395 1.00 25.32 H new ATOM 0 HD13 LEU A 16 -4.853 0.995 16.115 1.00 25.32 H new ATOM 0 HD21 LEU A 16 -2.026 0.147 17.188 1.00 63.02 H new ATOM 0 HD22 LEU A 16 -3.079 -1.001 16.327 1.00 63.02 H new ATOM 0 HD23 LEU A 16 -1.428 -0.696 15.739 1.00 63.02 H new ATOM 280 N LEU A 17 -2.953 -0.024 10.786 1.00 62.12 N ATOM 281 CA LEU A 17 -3.562 -0.357 9.490 1.00 72.11 C ATOM 282 C LEU A 17 -2.616 -1.247 8.681 1.00 24.04 C ATOM 283 O LEU A 17 -3.044 -2.288 8.206 1.00 41.45 O ATOM 284 CB LEU A 17 -3.936 0.930 8.683 1.00 5.23 C ATOM 285 CG LEU A 17 -5.060 1.829 9.303 1.00 71.02 C ATOM 286 CD1 LEU A 17 -5.278 3.118 8.476 1.00 40.34 C ATOM 287 CD2 LEU A 17 -6.373 1.037 9.481 1.00 43.11 C ATOM 0 H LEU A 17 -2.708 0.962 10.874 1.00 62.12 H new ATOM 0 HA LEU A 17 -4.487 -0.902 9.680 1.00 72.11 H new ATOM 0 HB2 LEU A 17 -3.037 1.536 8.567 1.00 5.23 H new ATOM 0 HB3 LEU A 17 -4.249 0.629 7.683 1.00 5.23 H new ATOM 0 HG LEU A 17 -4.726 2.137 10.294 1.00 71.02 H new ATOM 0 HD11 LEU A 17 -6.064 3.717 8.936 1.00 40.34 H new ATOM 0 HD12 LEU A 17 -4.353 3.694 8.449 1.00 40.34 H new ATOM 0 HD13 LEU A 17 -5.571 2.853 7.460 1.00 40.34 H new ATOM 0 HD21 LEU A 17 -7.134 1.687 9.913 1.00 43.11 H new ATOM 0 HD22 LEU A 17 -6.713 0.674 8.511 1.00 43.11 H new ATOM 0 HD23 LEU A 17 -6.200 0.190 10.145 1.00 43.11 H new ATOM 299 N SER A 18 -1.318 -0.852 8.591 1.00 51.23 N ATOM 300 CA SER A 18 -0.292 -1.604 7.830 1.00 33.11 C ATOM 301 C SER A 18 -0.190 -3.059 8.312 1.00 12.33 C ATOM 302 O SER A 18 -0.105 -3.977 7.500 1.00 71.42 O ATOM 303 CB SER A 18 1.091 -0.929 7.941 1.00 34.13 C ATOM 304 OG SER A 18 1.494 -0.778 9.289 1.00 12.33 O ATOM 0 H SER A 18 -0.959 -0.010 9.041 1.00 51.23 H new ATOM 0 HA SER A 18 -0.606 -1.601 6.786 1.00 33.11 H new ATOM 0 HB2 SER A 18 1.830 -1.524 7.405 1.00 34.13 H new ATOM 0 HB3 SER A 18 1.058 0.048 7.459 1.00 34.13 H new ATOM 0 HG SER A 18 0.708 -0.823 9.872 1.00 12.33 H new ATOM 310 N GLN A 19 -0.218 -3.226 9.647 1.00 2.34 N ATOM 311 CA GLN A 19 -0.200 -4.540 10.314 1.00 24.10 C ATOM 312 C GLN A 19 -1.418 -5.391 9.902 1.00 53.22 C ATOM 313 O GLN A 19 -1.275 -6.560 9.498 1.00 71.13 O ATOM 314 CB GLN A 19 -0.190 -4.315 11.846 1.00 35.41 C ATOM 315 CG GLN A 19 -0.084 -5.589 12.705 1.00 15.23 C ATOM 316 CD GLN A 19 -0.146 -5.327 14.217 1.00 24.22 C ATOM 317 OE1 GLN A 19 -0.922 -4.331 14.640 1.00 15.43 O flip ATOM 318 NE2 GLN A 19 0.473 -6.039 15.008 1.00 74.32 N flip ATOM 0 H GLN A 19 -0.254 -2.443 10.300 1.00 2.34 H new ATOM 0 HA GLN A 19 0.694 -5.085 10.011 1.00 24.10 H new ATOM 0 HB2 GLN A 19 0.646 -3.661 12.094 1.00 35.41 H new ATOM 0 HB3 GLN A 19 -1.102 -3.786 12.123 1.00 35.41 H new ATOM 0 HG2 GLN A 19 -0.891 -6.269 12.431 1.00 15.23 H new ATOM 0 HG3 GLN A 19 0.853 -6.096 12.472 1.00 15.23 H new ATOM 0 HE21 GLN A 19 1.061 -6.796 14.660 1.00 74.32 H new ATOM 0 HE22 GLN A 19 0.398 -5.872 16.011 1.00 74.32 H new ATOM 327 N SER A 20 -2.606 -4.756 9.978 1.00 44.22 N ATOM 328 CA SER A 20 -3.885 -5.399 9.648 1.00 43.52 C ATOM 329 C SER A 20 -3.905 -5.888 8.186 1.00 31.53 C ATOM 330 O SER A 20 -3.993 -7.094 7.935 1.00 40.20 O ATOM 331 CB SER A 20 -5.057 -4.423 9.896 1.00 74.12 C ATOM 332 OG SER A 20 -5.149 -4.064 11.265 1.00 0.42 O ATOM 0 H SER A 20 -2.700 -3.783 10.270 1.00 44.22 H new ATOM 0 HA SER A 20 -3.999 -6.267 10.298 1.00 43.52 H new ATOM 0 HB2 SER A 20 -4.920 -3.526 9.291 1.00 74.12 H new ATOM 0 HB3 SER A 20 -5.991 -4.884 9.575 1.00 74.12 H new ATOM 0 HG SER A 20 -4.444 -3.419 11.482 1.00 0.42 H new ATOM 338 N LEU A 21 -3.739 -4.936 7.237 1.00 54.24 N ATOM 339 CA LEU A 21 -3.851 -5.193 5.790 1.00 61.52 C ATOM 340 C LEU A 21 -2.700 -6.069 5.267 1.00 12.22 C ATOM 341 O LEU A 21 -2.826 -6.675 4.206 1.00 21.40 O ATOM 342 CB LEU A 21 -4.035 -3.849 5.002 1.00 61.23 C ATOM 343 CG LEU A 21 -2.938 -2.734 5.161 1.00 55.34 C ATOM 344 CD1 LEU A 21 -1.656 -3.042 4.391 1.00 30.04 C ATOM 345 CD2 LEU A 21 -3.473 -1.339 4.779 1.00 54.24 C ATOM 0 H LEU A 21 -3.523 -3.964 7.460 1.00 54.24 H new ATOM 0 HA LEU A 21 -4.752 -5.781 5.612 1.00 61.52 H new ATOM 0 HB2 LEU A 21 -4.110 -4.093 3.942 1.00 61.23 H new ATOM 0 HB3 LEU A 21 -4.992 -3.419 5.298 1.00 61.23 H new ATOM 0 HG LEU A 21 -2.683 -2.726 6.221 1.00 55.34 H new ATOM 0 HD11 LEU A 21 -0.939 -2.235 4.541 1.00 30.04 H new ATOM 0 HD12 LEU A 21 -1.230 -3.978 4.753 1.00 30.04 H new ATOM 0 HD13 LEU A 21 -1.883 -3.133 3.329 1.00 30.04 H new ATOM 0 HD21 LEU A 21 -2.682 -0.599 4.904 1.00 54.24 H new ATOM 0 HD22 LEU A 21 -3.801 -1.347 3.740 1.00 54.24 H new ATOM 0 HD23 LEU A 21 -4.314 -1.083 5.423 1.00 54.24 H new ATOM 357 N LEU A 22 -1.585 -6.131 6.025 1.00 32.11 N ATOM 358 CA LEU A 22 -0.491 -7.078 5.751 1.00 70.30 C ATOM 359 C LEU A 22 -1.000 -8.513 5.914 1.00 42.32 C ATOM 360 O LEU A 22 -0.895 -9.324 4.992 1.00 53.14 O ATOM 361 CB LEU A 22 0.715 -6.859 6.701 1.00 65.34 C ATOM 362 CG LEU A 22 1.877 -7.896 6.557 1.00 52.04 C ATOM 363 CD1 LEU A 22 2.520 -7.838 5.156 1.00 62.14 C ATOM 364 CD2 LEU A 22 2.921 -7.716 7.667 1.00 74.43 C ATOM 0 H LEU A 22 -1.421 -5.532 6.834 1.00 32.11 H new ATOM 0 HA LEU A 22 -0.155 -6.905 4.729 1.00 70.30 H new ATOM 0 HB2 LEU A 22 1.117 -5.861 6.526 1.00 65.34 H new ATOM 0 HB3 LEU A 22 0.355 -6.882 7.730 1.00 65.34 H new ATOM 0 HG LEU A 22 1.446 -8.891 6.670 1.00 52.04 H new ATOM 0 HD11 LEU A 22 3.323 -8.572 5.094 1.00 62.14 H new ATOM 0 HD12 LEU A 22 1.766 -8.059 4.400 1.00 62.14 H new ATOM 0 HD13 LEU A 22 2.926 -6.841 4.983 1.00 62.14 H new ATOM 0 HD21 LEU A 22 3.716 -8.451 7.541 1.00 74.43 H new ATOM 0 HD22 LEU A 22 3.342 -6.712 7.611 1.00 74.43 H new ATOM 0 HD23 LEU A 22 2.447 -7.857 8.638 1.00 74.43 H new ATOM 376 N GLU A 23 -1.560 -8.792 7.107 1.00 5.54 N ATOM 377 CA GLU A 23 -2.096 -10.117 7.459 1.00 42.55 C ATOM 378 C GLU A 23 -3.338 -10.472 6.606 1.00 41.32 C ATOM 379 O GLU A 23 -3.625 -11.652 6.389 1.00 12.22 O ATOM 380 CB GLU A 23 -2.404 -10.158 8.979 1.00 34.42 C ATOM 381 CG GLU A 23 -1.144 -10.015 9.873 1.00 51.01 C ATOM 382 CD GLU A 23 -1.453 -9.916 11.375 1.00 31.32 C ATOM 383 OE1 GLU A 23 -2.023 -10.879 11.939 1.00 73.12 O ATOM 384 OE2 GLU A 23 -1.103 -8.892 12.011 1.00 50.11 O ATOM 0 H GLU A 23 -1.653 -8.103 7.853 1.00 5.54 H new ATOM 0 HA GLU A 23 -1.346 -10.876 7.236 1.00 42.55 H new ATOM 0 HB2 GLU A 23 -3.103 -9.358 9.221 1.00 34.42 H new ATOM 0 HB3 GLU A 23 -2.902 -11.099 9.215 1.00 34.42 H new ATOM 0 HG2 GLU A 23 -0.491 -10.871 9.702 1.00 51.01 H new ATOM 0 HG3 GLU A 23 -0.592 -9.126 9.566 1.00 51.01 H new ATOM 391 N LEU A 24 -4.034 -9.432 6.101 1.00 34.55 N ATOM 392 CA LEU A 24 -5.183 -9.583 5.184 1.00 22.11 C ATOM 393 C LEU A 24 -4.697 -9.984 3.769 1.00 44.13 C ATOM 394 O LEU A 24 -5.234 -10.908 3.175 1.00 21.23 O ATOM 395 CB LEU A 24 -6.013 -8.265 5.153 1.00 71.11 C ATOM 396 CG LEU A 24 -6.682 -7.865 6.513 1.00 14.33 C ATOM 397 CD1 LEU A 24 -7.277 -6.439 6.465 1.00 51.30 C ATOM 398 CD2 LEU A 24 -7.739 -8.902 6.931 1.00 43.20 C ATOM 0 H LEU A 24 -3.814 -8.460 6.319 1.00 34.55 H new ATOM 0 HA LEU A 24 -5.830 -10.382 5.547 1.00 22.11 H new ATOM 0 HB2 LEU A 24 -5.361 -7.452 4.834 1.00 71.11 H new ATOM 0 HB3 LEU A 24 -6.793 -8.363 4.398 1.00 71.11 H new ATOM 0 HG LEU A 24 -5.900 -7.857 7.273 1.00 14.33 H new ATOM 0 HD11 LEU A 24 -7.731 -6.202 7.427 1.00 51.30 H new ATOM 0 HD12 LEU A 24 -6.485 -5.721 6.250 1.00 51.30 H new ATOM 0 HD13 LEU A 24 -8.035 -6.387 5.684 1.00 51.30 H new ATOM 0 HD21 LEU A 24 -8.189 -8.602 7.878 1.00 43.20 H new ATOM 0 HD22 LEU A 24 -8.512 -8.963 6.165 1.00 43.20 H new ATOM 0 HD23 LEU A 24 -7.266 -9.877 7.047 1.00 43.20 H new ATOM 410 N ALA A 25 -3.638 -9.312 3.272 1.00 42.12 N ATOM 411 CA ALA A 25 -3.027 -9.609 1.947 1.00 23.34 C ATOM 412 C ALA A 25 -2.377 -11.004 1.943 1.00 60.41 C ATOM 413 O ALA A 25 -2.404 -11.720 0.938 1.00 74.14 O ATOM 414 CB ALA A 25 -1.973 -8.545 1.591 1.00 42.35 C ATOM 0 H ALA A 25 -3.179 -8.550 3.771 1.00 42.12 H new ATOM 0 HA ALA A 25 -3.820 -9.591 1.200 1.00 23.34 H new ATOM 0 HB1 ALA A 25 -1.536 -8.777 0.620 1.00 42.35 H new ATOM 0 HB2 ALA A 25 -2.446 -7.564 1.552 1.00 42.35 H new ATOM 0 HB3 ALA A 25 -1.190 -8.540 2.349 1.00 42.35 H new ATOM 420 N GLN A 26 -1.800 -11.351 3.102 1.00 12.53 N ATOM 421 CA GLN A 26 -1.144 -12.643 3.362 1.00 62.52 C ATOM 422 C GLN A 26 -2.186 -13.779 3.388 1.00 64.10 C ATOM 423 O GLN A 26 -1.934 -14.878 2.887 1.00 55.42 O ATOM 424 CB GLN A 26 -0.399 -12.545 4.716 1.00 24.53 C ATOM 425 CG GLN A 26 0.382 -13.800 5.159 1.00 23.23 C ATOM 426 CD GLN A 26 0.931 -13.709 6.594 1.00 53.21 C ATOM 427 OE1 GLN A 26 0.186 -13.075 7.501 1.00 24.33 O flip ATOM 428 NE2 GLN A 26 1.991 -14.255 6.906 1.00 54.14 N flip ATOM 0 H GLN A 26 -1.775 -10.725 3.907 1.00 12.53 H new ATOM 0 HA GLN A 26 -0.432 -12.870 2.568 1.00 62.52 H new ATOM 0 HB2 GLN A 26 0.298 -11.709 4.663 1.00 24.53 H new ATOM 0 HB3 GLN A 26 -1.127 -12.304 5.490 1.00 24.53 H new ATOM 0 HG2 GLN A 26 -0.271 -14.670 5.083 1.00 23.23 H new ATOM 0 HG3 GLN A 26 1.212 -13.963 4.471 1.00 23.23 H new ATOM 0 HE21 GLN A 26 2.546 -14.735 6.197 1.00 54.14 H new ATOM 0 HE22 GLN A 26 2.314 -14.227 7.873 1.00 54.14 H new ATOM 437 N ARG A 27 -3.359 -13.484 3.979 1.00 65.11 N ATOM 438 CA ARG A 27 -4.501 -14.430 4.048 1.00 23.40 C ATOM 439 C ARG A 27 -5.217 -14.531 2.675 1.00 30.34 C ATOM 440 O ARG A 27 -5.850 -15.551 2.374 1.00 21.15 O ATOM 441 CB ARG A 27 -5.516 -13.983 5.169 1.00 22.11 C ATOM 442 CG ARG A 27 -5.745 -15.015 6.301 1.00 24.44 C ATOM 443 CD ARG A 27 -6.342 -16.344 5.798 1.00 30.25 C ATOM 444 NE ARG A 27 -7.663 -16.160 5.158 1.00 44.12 N ATOM 445 CZ ARG A 27 -8.517 -17.146 4.812 1.00 45.14 C ATOM 446 NH1 ARG A 27 -8.222 -18.426 5.043 1.00 22.31 N ATOM 447 NH2 ARG A 27 -9.680 -16.835 4.243 1.00 45.03 N ATOM 0 H ARG A 27 -3.547 -12.585 4.423 1.00 65.11 H new ATOM 0 HA ARG A 27 -4.114 -15.417 4.302 1.00 23.40 H new ATOM 0 HB2 ARG A 27 -5.157 -13.055 5.613 1.00 22.11 H new ATOM 0 HB3 ARG A 27 -6.475 -13.762 4.701 1.00 22.11 H new ATOM 0 HG2 ARG A 27 -4.796 -15.215 6.799 1.00 24.44 H new ATOM 0 HG3 ARG A 27 -6.412 -14.584 7.048 1.00 24.44 H new ATOM 0 HD2 ARG A 27 -5.656 -16.801 5.085 1.00 30.25 H new ATOM 0 HD3 ARG A 27 -6.439 -17.036 6.635 1.00 30.25 H new ATOM 0 HE ARG A 27 -7.954 -15.203 4.961 1.00 44.12 H new ATOM 0 HH11 ARG A 27 -7.338 -18.673 5.488 1.00 22.31 H new ATOM 0 HH12 ARG A 27 -8.880 -19.158 4.774 1.00 22.31 H new ATOM 0 HH21 ARG A 27 -9.919 -15.858 4.072 1.00 45.03 H new ATOM 0 HH22 ARG A 27 -10.332 -17.574 3.978 1.00 45.03 H new ATOM 461 N GLY A 28 -5.106 -13.456 1.869 1.00 1.22 N ATOM 462 CA GLY A 28 -5.773 -13.351 0.563 1.00 60.40 C ATOM 463 C GLY A 28 -7.065 -12.542 0.615 1.00 30.24 C ATOM 464 O GLY A 28 -7.808 -12.503 -0.367 1.00 30.14 O ATOM 0 H GLY A 28 -4.549 -12.636 2.109 1.00 1.22 H new ATOM 0 HA2 GLY A 28 -5.091 -12.889 -0.151 1.00 60.40 H new ATOM 0 HA3 GLY A 28 -5.993 -14.352 0.192 1.00 60.40 H new ATOM 468 N GLU A 29 -7.344 -11.911 1.774 1.00 25.53 N ATOM 469 CA GLU A 29 -8.502 -11.016 1.957 1.00 64.53 C ATOM 470 C GLU A 29 -8.244 -9.676 1.230 1.00 51.12 C ATOM 471 O GLU A 29 -7.650 -8.753 1.807 1.00 24.35 O ATOM 472 CB GLU A 29 -8.796 -10.760 3.474 1.00 22.54 C ATOM 473 CG GLU A 29 -8.720 -12.002 4.389 1.00 51.43 C ATOM 474 CD GLU A 29 -9.568 -13.191 3.899 1.00 23.15 C ATOM 475 OE1 GLU A 29 -9.005 -14.131 3.291 1.00 54.45 O ATOM 476 OE2 GLU A 29 -10.801 -13.190 4.122 1.00 23.04 O ATOM 0 H GLU A 29 -6.770 -12.009 2.611 1.00 25.53 H new ATOM 0 HA GLU A 29 -9.378 -11.501 1.528 1.00 64.53 H new ATOM 0 HB2 GLU A 29 -8.089 -10.016 3.842 1.00 22.54 H new ATOM 0 HB3 GLU A 29 -9.791 -10.325 3.564 1.00 22.54 H new ATOM 0 HG2 GLU A 29 -7.680 -12.319 4.470 1.00 51.43 H new ATOM 0 HG3 GLU A 29 -9.047 -11.724 5.391 1.00 51.43 H new ATOM 483 N TRP A 30 -8.666 -9.600 -0.047 1.00 72.10 N ATOM 484 CA TRP A 30 -8.398 -8.437 -0.922 1.00 33.12 C ATOM 485 C TRP A 30 -9.395 -7.301 -0.687 1.00 32.24 C ATOM 486 O TRP A 30 -9.033 -6.131 -0.786 1.00 41.42 O ATOM 487 CB TRP A 30 -8.416 -8.853 -2.412 1.00 45.45 C ATOM 488 CG TRP A 30 -7.524 -10.037 -2.741 1.00 14.53 C ATOM 489 CD1 TRP A 30 -7.897 -11.211 -3.341 1.00 42.31 C ATOM 490 CD2 TRP A 30 -6.119 -10.165 -2.470 1.00 24.44 C ATOM 491 NE1 TRP A 30 -6.817 -12.045 -3.453 1.00 65.51 N ATOM 492 CE2 TRP A 30 -5.717 -11.430 -2.933 1.00 11.33 C ATOM 493 CE3 TRP A 30 -5.162 -9.336 -1.887 1.00 32.22 C ATOM 494 CZ2 TRP A 30 -4.409 -11.880 -2.822 1.00 44.43 C ATOM 495 CZ3 TRP A 30 -3.863 -9.778 -1.780 1.00 30.43 C ATOM 496 CH2 TRP A 30 -3.495 -11.040 -2.245 1.00 1.40 C ATOM 0 H TRP A 30 -9.201 -10.340 -0.502 1.00 72.10 H new ATOM 0 HA TRP A 30 -7.404 -8.070 -0.665 1.00 33.12 H new ATOM 0 HB2 TRP A 30 -9.440 -9.094 -2.697 1.00 45.45 H new ATOM 0 HB3 TRP A 30 -8.108 -8.001 -3.019 1.00 45.45 H new ATOM 0 HD1 TRP A 30 -8.897 -11.444 -3.677 1.00 42.31 H new ATOM 0 HE1 TRP A 30 -6.833 -12.980 -3.861 1.00 65.51 H new ATOM 0 HE3 TRP A 30 -5.437 -8.357 -1.523 1.00 32.22 H new ATOM 0 HZ2 TRP A 30 -4.122 -12.858 -3.178 1.00 44.43 H new ATOM 0 HZ3 TRP A 30 -3.118 -9.138 -1.330 1.00 30.43 H new ATOM 0 HH2 TRP A 30 -2.468 -11.361 -2.148 1.00 1.40 H new ATOM 507 N ASP A 31 -10.650 -7.659 -0.374 1.00 11.20 N ATOM 508 CA ASP A 31 -11.718 -6.678 -0.090 1.00 72.42 C ATOM 509 C ASP A 31 -11.340 -5.838 1.143 1.00 23.33 C ATOM 510 O ASP A 31 -11.476 -4.610 1.144 1.00 31.10 O ATOM 511 CB ASP A 31 -13.078 -7.386 0.140 1.00 3.45 C ATOM 512 CG ASP A 31 -13.525 -8.251 -1.059 1.00 13.24 C ATOM 513 OD1 ASP A 31 -14.255 -7.755 -1.941 1.00 33.41 O ATOM 514 OD2 ASP A 31 -13.139 -9.438 -1.124 1.00 64.03 O ATOM 0 H ASP A 31 -10.956 -8.630 -0.310 1.00 11.20 H new ATOM 0 HA ASP A 31 -11.822 -6.022 -0.954 1.00 72.42 H new ATOM 0 HB2 ASP A 31 -13.007 -8.015 1.027 1.00 3.45 H new ATOM 0 HB3 ASP A 31 -13.842 -6.635 0.342 1.00 3.45 H new ATOM 519 N LEU A 32 -10.816 -6.532 2.169 1.00 23.31 N ATOM 520 CA LEU A 32 -10.366 -5.908 3.420 1.00 22.54 C ATOM 521 C LEU A 32 -9.017 -5.177 3.228 1.00 11.12 C ATOM 522 O LEU A 32 -8.812 -4.119 3.820 1.00 73.34 O ATOM 523 CB LEU A 32 -10.281 -6.969 4.543 1.00 62.22 C ATOM 524 CG LEU A 32 -11.615 -7.693 4.918 1.00 54.23 C ATOM 525 CD1 LEU A 32 -11.395 -8.649 6.113 1.00 14.11 C ATOM 526 CD2 LEU A 32 -12.751 -6.681 5.205 1.00 32.11 C ATOM 0 H LEU A 32 -10.694 -7.544 2.151 1.00 23.31 H new ATOM 0 HA LEU A 32 -11.098 -5.156 3.715 1.00 22.54 H new ATOM 0 HB2 LEU A 32 -9.554 -7.725 4.245 1.00 62.22 H new ATOM 0 HB3 LEU A 32 -9.890 -6.487 5.439 1.00 62.22 H new ATOM 0 HG LEU A 32 -11.928 -8.288 4.060 1.00 54.23 H new ATOM 0 HD11 LEU A 32 -12.334 -9.144 6.360 1.00 14.11 H new ATOM 0 HD12 LEU A 32 -10.649 -9.398 5.847 1.00 14.11 H new ATOM 0 HD13 LEU A 32 -11.047 -8.080 6.975 1.00 14.11 H new ATOM 0 HD21 LEU A 32 -13.663 -7.221 5.462 1.00 32.11 H new ATOM 0 HD22 LEU A 32 -12.463 -6.037 6.036 1.00 32.11 H new ATOM 0 HD23 LEU A 32 -12.928 -6.072 4.319 1.00 32.11 H new ATOM 538 N LEU A 33 -8.119 -5.747 2.386 1.00 24.10 N ATOM 539 CA LEU A 33 -6.820 -5.110 2.027 1.00 13.44 C ATOM 540 C LEU A 33 -7.051 -3.702 1.440 1.00 73.14 C ATOM 541 O LEU A 33 -6.470 -2.716 1.901 1.00 4.33 O ATOM 542 CB LEU A 33 -6.034 -5.975 0.991 1.00 71.53 C ATOM 543 CG LEU A 33 -4.703 -5.346 0.435 1.00 34.23 C ATOM 544 CD1 LEU A 33 -3.650 -5.174 1.542 1.00 20.42 C ATOM 545 CD2 LEU A 33 -4.137 -6.153 -0.746 1.00 2.40 C ATOM 0 H LEU A 33 -8.269 -6.652 1.939 1.00 24.10 H new ATOM 0 HA LEU A 33 -6.231 -5.032 2.941 1.00 13.44 H new ATOM 0 HB2 LEU A 33 -5.794 -6.932 1.454 1.00 71.53 H new ATOM 0 HB3 LEU A 33 -6.693 -6.185 0.148 1.00 71.53 H new ATOM 0 HG LEU A 33 -4.956 -4.354 0.062 1.00 34.23 H new ATOM 0 HD11 LEU A 33 -2.745 -4.737 1.119 1.00 20.42 H new ATOM 0 HD12 LEU A 33 -4.042 -4.517 2.318 1.00 20.42 H new ATOM 0 HD13 LEU A 33 -3.415 -6.146 1.975 1.00 20.42 H new ATOM 0 HD21 LEU A 33 -3.218 -5.685 -1.100 1.00 2.40 H new ATOM 0 HD22 LEU A 33 -3.923 -7.171 -0.422 1.00 2.40 H new ATOM 0 HD23 LEU A 33 -4.867 -6.175 -1.555 1.00 2.40 H new ATOM 557 N LEU A 34 -7.947 -3.650 0.442 1.00 60.31 N ATOM 558 CA LEU A 34 -8.259 -2.435 -0.327 1.00 32.43 C ATOM 559 C LEU A 34 -9.209 -1.498 0.450 1.00 42.34 C ATOM 560 O LEU A 34 -9.287 -0.300 0.151 1.00 65.53 O ATOM 561 CB LEU A 34 -8.851 -2.857 -1.696 1.00 13.24 C ATOM 562 CG LEU A 34 -7.902 -3.733 -2.587 1.00 74.52 C ATOM 563 CD1 LEU A 34 -8.655 -4.334 -3.794 1.00 72.52 C ATOM 564 CD2 LEU A 34 -6.653 -2.936 -3.037 1.00 12.43 C ATOM 0 H LEU A 34 -8.484 -4.464 0.142 1.00 60.31 H new ATOM 0 HA LEU A 34 -7.346 -1.864 -0.493 1.00 32.43 H new ATOM 0 HB2 LEU A 34 -9.774 -3.411 -1.521 1.00 13.24 H new ATOM 0 HB3 LEU A 34 -9.119 -1.958 -2.252 1.00 13.24 H new ATOM 0 HG LEU A 34 -7.555 -4.564 -1.974 1.00 74.52 H new ATOM 0 HD11 LEU A 34 -7.967 -4.935 -4.389 1.00 72.52 H new ATOM 0 HD12 LEU A 34 -9.471 -4.963 -3.437 1.00 72.52 H new ATOM 0 HD13 LEU A 34 -9.059 -3.529 -4.408 1.00 72.52 H new ATOM 0 HD21 LEU A 34 -6.017 -3.573 -3.652 1.00 12.43 H new ATOM 0 HD22 LEU A 34 -6.965 -2.067 -3.616 1.00 12.43 H new ATOM 0 HD23 LEU A 34 -6.096 -2.607 -2.160 1.00 12.43 H new ATOM 576 N GLN A 35 -9.923 -2.052 1.450 1.00 63.42 N ATOM 577 CA GLN A 35 -10.735 -1.255 2.392 1.00 55.55 C ATOM 578 C GLN A 35 -9.825 -0.434 3.331 1.00 12.42 C ATOM 579 O GLN A 35 -10.142 0.710 3.677 1.00 72.42 O ATOM 580 CB GLN A 35 -11.672 -2.183 3.218 1.00 2.23 C ATOM 581 CG GLN A 35 -12.609 -1.464 4.223 1.00 65.24 C ATOM 582 CD GLN A 35 -13.566 -0.428 3.600 1.00 12.20 C ATOM 583 OE1 GLN A 35 -13.910 0.567 4.238 1.00 21.43 O ATOM 584 NE2 GLN A 35 -14.021 -0.651 2.373 1.00 20.45 N ATOM 0 H GLN A 35 -9.954 -3.056 1.627 1.00 63.42 H new ATOM 0 HA GLN A 35 -11.350 -0.563 1.818 1.00 55.55 H new ATOM 0 HB2 GLN A 35 -12.285 -2.760 2.526 1.00 2.23 H new ATOM 0 HB3 GLN A 35 -11.056 -2.895 3.768 1.00 2.23 H new ATOM 0 HG2 GLN A 35 -13.202 -2.215 4.744 1.00 65.24 H new ATOM 0 HG3 GLN A 35 -11.996 -0.964 4.973 1.00 65.24 H new ATOM 0 HE21 GLN A 35 -13.723 -1.482 1.862 1.00 20.45 H new ATOM 0 HE22 GLN A 35 -14.668 0.009 1.941 1.00 20.45 H new ATOM 593 N GLN A 36 -8.689 -1.037 3.741 1.00 25.22 N ATOM 594 CA GLN A 36 -7.719 -0.384 4.637 1.00 21.34 C ATOM 595 C GLN A 36 -6.708 0.465 3.832 1.00 71.31 C ATOM 596 O GLN A 36 -6.164 1.423 4.367 1.00 24.34 O ATOM 597 CB GLN A 36 -6.989 -1.437 5.523 1.00 65.34 C ATOM 598 CG GLN A 36 -7.921 -2.384 6.317 1.00 61.33 C ATOM 599 CD GLN A 36 -8.923 -1.667 7.229 1.00 35.11 C ATOM 600 OE1 GLN A 36 -8.638 -0.614 7.795 1.00 33.22 O ATOM 601 NE2 GLN A 36 -10.112 -2.228 7.368 1.00 63.13 N ATOM 0 H GLN A 36 -8.423 -1.981 3.462 1.00 25.22 H new ATOM 0 HA GLN A 36 -8.266 0.288 5.298 1.00 21.34 H new ATOM 0 HB2 GLN A 36 -6.342 -2.039 4.886 1.00 65.34 H new ATOM 0 HB3 GLN A 36 -6.344 -0.912 6.228 1.00 65.34 H new ATOM 0 HG2 GLN A 36 -8.471 -3.008 5.612 1.00 61.33 H new ATOM 0 HG3 GLN A 36 -7.309 -3.052 6.924 1.00 61.33 H new ATOM 0 HE21 GLN A 36 -10.323 -3.102 6.887 1.00 63.13 H new ATOM 0 HE22 GLN A 36 -10.819 -1.786 7.956 1.00 63.13 H new ATOM 610 N GLU A 37 -6.490 0.087 2.545 1.00 2.31 N ATOM 611 CA GLU A 37 -5.650 0.819 1.549 1.00 30.43 C ATOM 612 C GLU A 37 -5.908 2.327 1.570 1.00 51.11 C ATOM 613 O GLU A 37 -4.987 3.125 1.781 1.00 53.24 O ATOM 614 CB GLU A 37 -5.994 0.289 0.124 1.00 23.22 C ATOM 615 CG GLU A 37 -5.447 1.117 -1.074 1.00 30.13 C ATOM 616 CD GLU A 37 -6.061 0.745 -2.441 1.00 64.40 C ATOM 617 OE1 GLU A 37 -7.279 0.454 -2.489 1.00 12.14 O ATOM 618 OE2 GLU A 37 -5.369 0.845 -3.480 1.00 43.11 O ATOM 0 H GLU A 37 -6.904 -0.760 2.156 1.00 2.31 H new ATOM 0 HA GLU A 37 -4.605 0.648 1.806 1.00 30.43 H new ATOM 0 HB2 GLU A 37 -5.614 -0.729 0.037 1.00 23.22 H new ATOM 0 HB3 GLU A 37 -7.079 0.233 0.033 1.00 23.22 H new ATOM 0 HG2 GLU A 37 -5.631 2.174 -0.883 1.00 30.13 H new ATOM 0 HG3 GLU A 37 -4.366 0.986 -1.127 1.00 30.13 H new ATOM 625 N VAL A 38 -7.183 2.676 1.341 1.00 42.22 N ATOM 626 CA VAL A 38 -7.628 4.058 1.164 1.00 24.14 C ATOM 627 C VAL A 38 -7.246 4.945 2.376 1.00 23.31 C ATOM 628 O VAL A 38 -6.607 5.987 2.203 1.00 23.21 O ATOM 629 CB VAL A 38 -9.173 4.115 0.851 1.00 11.35 C ATOM 630 CG1 VAL A 38 -9.477 3.514 -0.546 1.00 54.55 C ATOM 631 CG2 VAL A 38 -10.012 3.398 1.933 1.00 21.31 C ATOM 0 H VAL A 38 -7.939 1.995 1.274 1.00 42.22 H new ATOM 0 HA VAL A 38 -7.103 4.470 0.302 1.00 24.14 H new ATOM 0 HB VAL A 38 -9.458 5.167 0.854 1.00 11.35 H new ATOM 0 HG11 VAL A 38 -10.549 3.565 -0.739 1.00 54.55 H new ATOM 0 HG12 VAL A 38 -8.944 4.080 -1.310 1.00 54.55 H new ATOM 0 HG13 VAL A 38 -9.152 2.474 -0.573 1.00 54.55 H new ATOM 0 HG21 VAL A 38 -11.069 3.463 1.676 1.00 21.31 H new ATOM 0 HG22 VAL A 38 -9.716 2.351 1.989 1.00 21.31 H new ATOM 0 HG23 VAL A 38 -9.844 3.874 2.899 1.00 21.31 H new ATOM 641 N SER A 39 -7.565 4.466 3.593 1.00 75.33 N ATOM 642 CA SER A 39 -7.282 5.180 4.849 1.00 20.11 C ATOM 643 C SER A 39 -5.763 5.258 5.108 1.00 61.14 C ATOM 644 O SER A 39 -5.239 6.316 5.439 1.00 21.51 O ATOM 645 CB SER A 39 -7.987 4.452 6.016 1.00 24.14 C ATOM 646 OG SER A 39 -9.363 4.264 5.731 1.00 41.32 O ATOM 0 H SER A 39 -8.029 3.568 3.732 1.00 75.33 H new ATOM 0 HA SER A 39 -7.660 6.199 4.770 1.00 20.11 H new ATOM 0 HB2 SER A 39 -7.511 3.487 6.189 1.00 24.14 H new ATOM 0 HB3 SER A 39 -7.876 5.031 6.933 1.00 24.14 H new ATOM 0 HG SER A 39 -9.792 3.800 6.480 1.00 41.32 H new ATOM 652 N TYR A 40 -5.090 4.115 4.892 1.00 24.02 N ATOM 653 CA TYR A 40 -3.652 3.907 5.164 1.00 54.41 C ATOM 654 C TYR A 40 -2.766 4.886 4.372 1.00 44.44 C ATOM 655 O TYR A 40 -2.029 5.697 4.966 1.00 32.40 O ATOM 656 CB TYR A 40 -3.300 2.434 4.817 1.00 72.33 C ATOM 657 CG TYR A 40 -1.817 2.066 4.859 1.00 65.40 C ATOM 658 CD1 TYR A 40 -1.062 2.246 6.016 1.00 43.43 C ATOM 659 CD2 TYR A 40 -1.183 1.499 3.746 1.00 22.51 C ATOM 660 CE1 TYR A 40 0.264 1.887 6.055 1.00 53.44 C ATOM 661 CE2 TYR A 40 0.145 1.142 3.787 1.00 13.10 C ATOM 662 CZ TYR A 40 0.861 1.329 4.946 1.00 11.34 C ATOM 663 OH TYR A 40 2.180 0.954 5.000 1.00 61.05 O ATOM 0 H TYR A 40 -5.543 3.284 4.512 1.00 24.02 H new ATOM 0 HA TYR A 40 -3.457 4.103 6.218 1.00 54.41 H new ATOM 0 HB2 TYR A 40 -3.834 1.782 5.508 1.00 72.33 H new ATOM 0 HB3 TYR A 40 -3.678 2.218 3.818 1.00 72.33 H new ATOM 0 HD1 TYR A 40 -1.525 2.673 6.893 1.00 43.43 H new ATOM 0 HD2 TYR A 40 -1.747 1.339 2.839 1.00 22.51 H new ATOM 0 HE1 TYR A 40 0.839 2.043 6.956 1.00 53.44 H new ATOM 0 HE2 TYR A 40 0.622 0.718 2.915 1.00 13.10 H new ATOM 0 HH TYR A 40 2.536 1.137 5.894 1.00 61.05 H new ATOM 673 N LEU A 41 -2.866 4.800 3.033 1.00 51.33 N ATOM 674 CA LEU A 41 -2.099 5.642 2.111 1.00 34.24 C ATOM 675 C LEU A 41 -2.441 7.127 2.337 1.00 50.54 C ATOM 676 O LEU A 41 -1.539 7.961 2.375 1.00 11.45 O ATOM 677 CB LEU A 41 -2.371 5.214 0.640 1.00 44.41 C ATOM 678 CG LEU A 41 -1.943 3.753 0.264 1.00 73.11 C ATOM 679 CD1 LEU A 41 -2.448 3.361 -1.148 1.00 44.20 C ATOM 680 CD2 LEU A 41 -0.408 3.575 0.384 1.00 70.11 C ATOM 0 H LEU A 41 -3.485 4.140 2.563 1.00 51.33 H new ATOM 0 HA LEU A 41 -1.035 5.510 2.307 1.00 34.24 H new ATOM 0 HB2 LEU A 41 -3.437 5.323 0.441 1.00 44.41 H new ATOM 0 HB3 LEU A 41 -1.851 5.906 -0.022 1.00 44.41 H new ATOM 0 HG LEU A 41 -2.413 3.076 0.977 1.00 73.11 H new ATOM 0 HD11 LEU A 41 -2.134 2.343 -1.377 1.00 44.20 H new ATOM 0 HD12 LEU A 41 -3.536 3.420 -1.175 1.00 44.20 H new ATOM 0 HD13 LEU A 41 -2.030 4.044 -1.887 1.00 44.20 H new ATOM 0 HD21 LEU A 41 -0.138 2.553 0.118 1.00 70.11 H new ATOM 0 HD22 LEU A 41 0.093 4.270 -0.290 1.00 70.11 H new ATOM 0 HD23 LEU A 41 -0.097 3.777 1.409 1.00 70.11 H new ATOM 692 N GLN A 42 -3.750 7.425 2.556 1.00 44.24 N ATOM 693 CA GLN A 42 -4.233 8.797 2.831 1.00 5.41 C ATOM 694 C GLN A 42 -3.579 9.391 4.098 1.00 3.00 C ATOM 695 O GLN A 42 -3.241 10.579 4.126 1.00 74.54 O ATOM 696 CB GLN A 42 -5.769 8.795 2.993 1.00 13.43 C ATOM 697 CG GLN A 42 -6.421 10.188 3.082 1.00 31.21 C ATOM 698 CD GLN A 42 -7.938 10.159 3.304 1.00 3.12 C ATOM 699 OE1 GLN A 42 -8.499 11.060 3.930 1.00 31.04 O ATOM 700 NE2 GLN A 42 -8.625 9.143 2.792 1.00 70.53 N ATOM 0 H GLN A 42 -4.491 6.724 2.546 1.00 44.24 H new ATOM 0 HA GLN A 42 -3.952 9.421 1.982 1.00 5.41 H new ATOM 0 HB2 GLN A 42 -6.207 8.260 2.150 1.00 13.43 H new ATOM 0 HB3 GLN A 42 -6.023 8.235 3.893 1.00 13.43 H new ATOM 0 HG2 GLN A 42 -5.956 10.743 3.897 1.00 31.21 H new ATOM 0 HG3 GLN A 42 -6.210 10.735 2.163 1.00 31.21 H new ATOM 0 HE21 GLN A 42 -8.141 8.408 2.277 1.00 70.53 H new ATOM 0 HE22 GLN A 42 -9.637 9.099 2.914 1.00 70.53 H new ATOM 709 N SER A 43 -3.399 8.539 5.130 1.00 4.13 N ATOM 710 CA SER A 43 -2.788 8.938 6.415 1.00 43.14 C ATOM 711 C SER A 43 -1.304 9.329 6.226 1.00 21.44 C ATOM 712 O SER A 43 -0.837 10.325 6.804 1.00 61.11 O ATOM 713 CB SER A 43 -2.923 7.808 7.457 1.00 23.52 C ATOM 714 OG SER A 43 -4.281 7.531 7.764 1.00 23.43 O ATOM 0 H SER A 43 -3.673 7.557 5.095 1.00 4.13 H new ATOM 0 HA SER A 43 -3.323 9.813 6.784 1.00 43.14 H new ATOM 0 HB2 SER A 43 -2.445 6.905 7.077 1.00 23.52 H new ATOM 0 HB3 SER A 43 -2.395 8.089 8.368 1.00 23.52 H new ATOM 0 HG SER A 43 -4.709 7.099 6.995 1.00 23.43 H new ATOM 720 N ILE A 44 -0.584 8.536 5.404 1.00 55.21 N ATOM 721 CA ILE A 44 0.823 8.814 5.036 1.00 4.33 C ATOM 722 C ILE A 44 0.918 10.149 4.249 1.00 21.23 C ATOM 723 O ILE A 44 1.793 10.993 4.494 1.00 1.33 O ATOM 724 CB ILE A 44 1.435 7.641 4.171 1.00 33.52 C ATOM 725 CG1 ILE A 44 1.264 6.255 4.887 1.00 44.03 C ATOM 726 CG2 ILE A 44 2.923 7.916 3.856 1.00 55.31 C ATOM 727 CD1 ILE A 44 1.687 5.037 4.066 1.00 31.11 C ATOM 0 H ILE A 44 -0.959 7.688 4.978 1.00 55.21 H new ATOM 0 HA ILE A 44 1.398 8.894 5.959 1.00 4.33 H new ATOM 0 HB ILE A 44 0.886 7.598 3.230 1.00 33.52 H new ATOM 0 HG12 ILE A 44 1.843 6.268 5.811 1.00 44.03 H new ATOM 0 HG13 ILE A 44 0.218 6.137 5.168 1.00 44.03 H new ATOM 0 HG21 ILE A 44 3.326 7.097 3.260 1.00 55.31 H new ATOM 0 HG22 ILE A 44 3.011 8.848 3.298 1.00 55.31 H new ATOM 0 HG23 ILE A 44 3.483 7.997 4.788 1.00 55.31 H new ATOM 0 HD11 ILE A 44 1.529 4.131 4.651 1.00 31.11 H new ATOM 0 HD12 ILE A 44 1.092 4.988 3.154 1.00 31.11 H new ATOM 0 HD13 ILE A 44 2.742 5.122 3.806 1.00 31.11 H new ATOM 739 N GLU A 45 -0.034 10.330 3.330 1.00 33.23 N ATOM 740 CA GLU A 45 -0.102 11.504 2.451 1.00 63.52 C ATOM 741 C GLU A 45 -0.384 12.795 3.242 1.00 23.21 C ATOM 742 O GLU A 45 0.179 13.840 2.918 1.00 12.05 O ATOM 743 CB GLU A 45 -1.175 11.280 1.348 1.00 22.10 C ATOM 744 CG GLU A 45 -0.789 10.190 0.324 1.00 51.33 C ATOM 745 CD GLU A 45 -1.906 9.874 -0.683 1.00 50.22 C ATOM 746 OE1 GLU A 45 -1.859 10.375 -1.831 1.00 3.34 O ATOM 747 OE2 GLU A 45 -2.836 9.118 -0.332 1.00 44.22 O ATOM 0 H GLU A 45 -0.787 9.660 3.172 1.00 33.23 H new ATOM 0 HA GLU A 45 0.871 11.628 1.977 1.00 63.52 H new ATOM 0 HB2 GLU A 45 -2.118 11.006 1.820 1.00 22.10 H new ATOM 0 HB3 GLU A 45 -1.344 12.219 0.821 1.00 22.10 H new ATOM 0 HG2 GLU A 45 0.100 10.511 -0.220 1.00 51.33 H new ATOM 0 HG3 GLU A 45 -0.523 9.278 0.858 1.00 51.33 H new ATOM 754 N THR A 46 -1.230 12.710 4.287 1.00 73.33 N ATOM 755 CA THR A 46 -1.670 13.897 5.052 1.00 15.24 C ATOM 756 C THR A 46 -0.664 14.293 6.166 1.00 5.00 C ATOM 757 O THR A 46 -0.593 15.476 6.535 1.00 2.40 O ATOM 758 CB THR A 46 -3.120 13.721 5.612 1.00 23.43 C ATOM 759 OG1 THR A 46 -3.599 14.951 6.182 1.00 51.02 O ATOM 760 CG2 THR A 46 -3.203 12.614 6.659 1.00 41.21 C ATOM 0 H THR A 46 -1.624 11.831 4.622 1.00 73.33 H new ATOM 0 HA THR A 46 -1.693 14.729 4.348 1.00 15.24 H new ATOM 0 HB THR A 46 -3.749 13.438 4.768 1.00 23.43 H new ATOM 0 HG1 THR A 46 -3.447 15.685 5.551 1.00 51.02 H new ATOM 0 HG21 THR A 46 -4.229 12.529 7.018 1.00 41.21 H new ATOM 0 HG22 THR A 46 -2.895 11.668 6.213 1.00 41.21 H new ATOM 0 HG23 THR A 46 -2.545 12.853 7.494 1.00 41.21 H new ATOM 768 N VAL A 47 0.136 13.329 6.697 1.00 53.01 N ATOM 769 CA VAL A 47 1.249 13.676 7.624 1.00 12.33 C ATOM 770 C VAL A 47 2.384 14.380 6.845 1.00 14.12 C ATOM 771 O VAL A 47 2.995 15.337 7.343 1.00 70.35 O ATOM 772 CB VAL A 47 1.817 12.443 8.443 1.00 12.40 C ATOM 773 CG1 VAL A 47 0.755 11.857 9.399 1.00 55.32 C ATOM 774 CG2 VAL A 47 2.381 11.342 7.522 1.00 60.01 C ATOM 0 H VAL A 47 0.036 12.332 6.506 1.00 53.01 H new ATOM 0 HA VAL A 47 0.828 14.353 8.367 1.00 12.33 H new ATOM 0 HB VAL A 47 2.642 12.826 9.043 1.00 12.40 H new ATOM 0 HG11 VAL A 47 1.181 11.014 9.943 1.00 55.32 H new ATOM 0 HG12 VAL A 47 0.440 12.624 10.107 1.00 55.32 H new ATOM 0 HG13 VAL A 47 -0.106 11.519 8.823 1.00 55.32 H new ATOM 0 HG21 VAL A 47 2.758 10.518 8.128 1.00 60.01 H new ATOM 0 HG22 VAL A 47 1.591 10.977 6.865 1.00 60.01 H new ATOM 0 HG23 VAL A 47 3.193 11.751 6.920 1.00 60.01 H new ATOM 784 N MET A 48 2.626 13.915 5.598 1.00 52.11 N ATOM 785 CA MET A 48 3.633 14.516 4.696 1.00 14.25 C ATOM 786 C MET A 48 3.096 15.779 3.990 1.00 20.33 C ATOM 787 O MET A 48 3.880 16.588 3.482 1.00 62.11 O ATOM 788 CB MET A 48 4.114 13.464 3.674 1.00 24.53 C ATOM 789 CG MET A 48 4.809 12.267 4.332 1.00 22.43 C ATOM 790 SD MET A 48 6.196 12.775 5.375 1.00 2.34 S ATOM 791 CE MET A 48 6.807 11.194 5.950 1.00 22.42 C ATOM 0 H MET A 48 2.133 13.120 5.192 1.00 52.11 H new ATOM 0 HA MET A 48 4.482 14.835 5.300 1.00 14.25 H new ATOM 0 HB2 MET A 48 3.260 13.109 3.096 1.00 24.53 H new ATOM 0 HB3 MET A 48 4.801 13.935 2.971 1.00 24.53 H new ATOM 0 HG2 MET A 48 4.087 11.715 4.933 1.00 22.43 H new ATOM 0 HG3 MET A 48 5.167 11.587 3.559 1.00 22.43 H new ATOM 0 HE1 MET A 48 6.836 11.190 7.040 1.00 22.42 H new ATOM 0 HE2 MET A 48 6.146 10.400 5.602 1.00 22.42 H new ATOM 0 HE3 MET A 48 7.811 11.028 5.559 1.00 22.42 H new ATOM 801 N GLU A 49 1.757 15.938 3.970 1.00 25.23 N ATOM 802 CA GLU A 49 1.074 17.178 3.524 1.00 2.33 C ATOM 803 C GLU A 49 1.370 18.317 4.510 1.00 2.43 C ATOM 804 O GLU A 49 1.550 19.473 4.119 1.00 5.11 O ATOM 805 CB GLU A 49 -0.455 16.927 3.465 1.00 2.02 C ATOM 806 CG GLU A 49 -1.351 18.167 3.240 1.00 11.50 C ATOM 807 CD GLU A 49 -2.843 17.868 3.429 1.00 50.13 C ATOM 808 OE1 GLU A 49 -3.255 17.611 4.578 1.00 22.55 O ATOM 809 OE2 GLU A 49 -3.616 17.898 2.449 1.00 22.11 O ATOM 0 H GLU A 49 1.111 15.206 4.265 1.00 25.23 H new ATOM 0 HA GLU A 49 1.438 17.457 2.535 1.00 2.33 H new ATOM 0 HB2 GLU A 49 -0.653 16.214 2.665 1.00 2.02 H new ATOM 0 HB3 GLU A 49 -0.759 16.452 4.398 1.00 2.02 H new ATOM 0 HG2 GLU A 49 -1.053 18.955 3.932 1.00 11.50 H new ATOM 0 HG3 GLU A 49 -1.187 18.549 2.232 1.00 11.50 H new ATOM 816 N LYS A 50 1.484 17.938 5.794 1.00 14.55 N ATOM 817 CA LYS A 50 1.763 18.870 6.897 1.00 65.21 C ATOM 818 C LYS A 50 3.299 19.019 7.098 1.00 55.45 C ATOM 819 O LYS A 50 3.761 19.596 8.089 1.00 35.22 O ATOM 820 CB LYS A 50 1.016 18.352 8.172 1.00 63.33 C ATOM 821 CG LYS A 50 0.908 19.346 9.366 1.00 12.05 C ATOM 822 CD LYS A 50 0.380 20.756 8.985 1.00 72.12 C ATOM 823 CE LYS A 50 -0.981 20.764 8.249 1.00 10.24 C ATOM 824 NZ LYS A 50 -2.106 20.241 9.066 1.00 61.43 N ATOM 0 H LYS A 50 1.384 16.969 6.097 1.00 14.55 H new ATOM 0 HA LYS A 50 1.394 19.871 6.674 1.00 65.21 H new ATOM 0 HB2 LYS A 50 0.008 18.058 7.881 1.00 63.33 H new ATOM 0 HB3 LYS A 50 1.522 17.452 8.522 1.00 63.33 H new ATOM 0 HG2 LYS A 50 0.249 18.917 10.121 1.00 12.05 H new ATOM 0 HG3 LYS A 50 1.891 19.452 9.824 1.00 12.05 H new ATOM 0 HD2 LYS A 50 0.289 21.352 9.893 1.00 72.12 H new ATOM 0 HD3 LYS A 50 1.121 21.247 8.354 1.00 72.12 H new ATOM 0 HE2 LYS A 50 -1.211 21.784 7.941 1.00 10.24 H new ATOM 0 HE3 LYS A 50 -0.896 20.168 7.340 1.00 10.24 H new ATOM 0 HZ1 LYS A 50 -2.939 20.101 8.460 1.00 61.43 H new ATOM 0 HZ2 LYS A 50 -1.832 19.333 9.493 1.00 61.43 H new ATOM 0 HZ3 LYS A 50 -2.335 20.922 9.818 1.00 61.43 H new ATOM 838 N GLN A 51 4.067 18.447 6.125 1.00 71.34 N ATOM 839 CA GLN A 51 5.531 18.637 5.938 1.00 42.22 C ATOM 840 C GLN A 51 6.373 17.943 7.032 1.00 73.03 C ATOM 841 O GLN A 51 7.608 17.971 6.948 1.00 13.45 O ATOM 842 CB GLN A 51 5.908 20.157 5.816 1.00 74.01 C ATOM 843 CG GLN A 51 5.098 20.960 4.762 1.00 12.42 C ATOM 844 CD GLN A 51 5.251 20.451 3.323 1.00 73.11 C ATOM 845 OE1 GLN A 51 6.136 20.891 2.585 1.00 63.24 O ATOM 846 NE2 GLN A 51 4.398 19.526 2.909 1.00 33.40 N ATOM 0 H GLN A 51 3.667 17.820 5.427 1.00 71.34 H new ATOM 0 HA GLN A 51 5.779 18.150 4.995 1.00 42.22 H new ATOM 0 HB2 GLN A 51 5.772 20.627 6.790 1.00 74.01 H new ATOM 0 HB3 GLN A 51 6.967 20.233 5.571 1.00 74.01 H new ATOM 0 HG2 GLN A 51 4.043 20.932 5.034 1.00 12.42 H new ATOM 0 HG3 GLN A 51 5.410 22.004 4.800 1.00 12.42 H new ATOM 0 HE21 GLN A 51 3.675 19.179 3.540 1.00 33.40 H new ATOM 0 HE22 GLN A 51 4.464 19.160 1.959 1.00 33.40 H new ATOM 855 N THR A 52 5.694 17.274 8.003 1.00 15.42 N ATOM 856 CA THR A 52 6.304 16.776 9.254 1.00 14.15 C ATOM 857 C THR A 52 6.970 17.950 10.037 1.00 11.11 C ATOM 858 O THR A 52 8.138 18.287 9.776 1.00 65.03 O ATOM 859 CB THR A 52 7.310 15.588 8.995 1.00 1.13 C ATOM 860 OG1 THR A 52 6.605 14.498 8.370 1.00 0.34 O ATOM 861 CG2 THR A 52 7.988 15.086 10.287 1.00 32.02 C ATOM 0 H THR A 52 4.698 17.066 7.933 1.00 15.42 H new ATOM 0 HA THR A 52 5.508 16.365 9.875 1.00 14.15 H new ATOM 0 HB THR A 52 8.098 15.965 8.344 1.00 1.13 H new ATOM 0 HG1 THR A 52 6.899 14.410 7.439 1.00 0.34 H new ATOM 0 HG21 THR A 52 8.669 14.269 10.047 1.00 32.02 H new ATOM 0 HG22 THR A 52 8.547 15.902 10.745 1.00 32.02 H new ATOM 0 HG23 THR A 52 7.228 14.732 10.983 1.00 32.02 H new ATOM 869 N PRO A 53 6.203 18.639 10.963 1.00 12.24 N ATOM 870 CA PRO A 53 6.735 19.770 11.778 1.00 43.45 C ATOM 871 C PRO A 53 8.023 19.374 12.542 1.00 53.11 C ATOM 872 O PRO A 53 8.029 18.338 13.195 1.00 1.12 O ATOM 873 CB PRO A 53 5.571 20.088 12.761 1.00 71.41 C ATOM 874 CG PRO A 53 4.339 19.608 12.054 1.00 54.24 C ATOM 875 CD PRO A 53 4.766 18.375 11.280 1.00 60.12 C ATOM 0 HA PRO A 53 7.023 20.625 11.167 1.00 43.45 H new ATOM 0 HB2 PRO A 53 5.706 19.577 13.714 1.00 71.41 H new ATOM 0 HB3 PRO A 53 5.514 21.155 12.977 1.00 71.41 H new ATOM 0 HG2 PRO A 53 3.547 19.370 12.764 1.00 54.24 H new ATOM 0 HG3 PRO A 53 3.947 20.374 11.385 1.00 54.24 H new ATOM 0 HD2 PRO A 53 4.646 17.468 11.873 1.00 60.12 H new ATOM 0 HD3 PRO A 53 4.173 18.245 10.375 1.00 60.12 H new ATOM 883 N PRO A 54 9.132 20.176 12.473 1.00 64.01 N ATOM 884 CA PRO A 54 10.427 19.795 13.101 1.00 2.24 C ATOM 885 C PRO A 54 10.463 20.006 14.635 1.00 42.31 C ATOM 886 O PRO A 54 11.491 19.740 15.274 1.00 54.22 O ATOM 887 CB PRO A 54 11.435 20.702 12.357 1.00 70.33 C ATOM 888 CG PRO A 54 10.656 21.946 12.038 1.00 72.02 C ATOM 889 CD PRO A 54 9.229 21.490 11.771 1.00 63.21 C ATOM 0 HA PRO A 54 10.639 18.730 13.006 1.00 2.24 H new ATOM 0 HB2 PRO A 54 12.302 20.925 12.978 1.00 70.33 H new ATOM 0 HB3 PRO A 54 11.807 20.223 11.451 1.00 70.33 H new ATOM 0 HG2 PRO A 54 10.691 22.652 12.868 1.00 72.02 H new ATOM 0 HG3 PRO A 54 11.072 22.455 11.169 1.00 72.02 H new ATOM 0 HD2 PRO A 54 8.503 22.204 12.159 1.00 63.21 H new ATOM 0 HD3 PRO A 54 9.036 21.387 10.703 1.00 63.21 H new ATOM 897 N GLY A 55 9.330 20.446 15.221 1.00 32.53 N ATOM 898 CA GLY A 55 9.219 20.678 16.665 1.00 43.11 C ATOM 899 C GLY A 55 8.709 19.458 17.432 1.00 0.31 C ATOM 900 O GLY A 55 7.969 19.596 18.412 1.00 35.02 O ATOM 0 H GLY A 55 8.474 20.648 14.704 1.00 32.53 H new ATOM 0 HA2 GLY A 55 10.195 20.964 17.057 1.00 43.11 H new ATOM 0 HA3 GLY A 55 8.546 21.517 16.841 1.00 43.11 H new ATOM 904 N ILE A 56 9.104 18.256 16.973 1.00 23.12 N ATOM 905 CA ILE A 56 8.749 16.975 17.604 1.00 33.23 C ATOM 906 C ILE A 56 9.739 16.670 18.742 1.00 63.53 C ATOM 907 O ILE A 56 10.947 16.600 18.507 1.00 20.03 O ATOM 908 CB ILE A 56 8.767 15.810 16.534 1.00 4.22 C ATOM 909 CG1 ILE A 56 7.818 16.138 15.336 1.00 74.05 C ATOM 910 CG2 ILE A 56 8.420 14.437 17.159 1.00 34.30 C ATOM 911 CD1 ILE A 56 6.386 16.512 15.711 1.00 42.23 C ATOM 0 H ILE A 56 9.686 18.148 16.143 1.00 23.12 H new ATOM 0 HA ILE A 56 7.742 17.047 18.015 1.00 33.23 H new ATOM 0 HB ILE A 56 9.786 15.738 16.154 1.00 4.22 H new ATOM 0 HG12 ILE A 56 8.252 16.960 14.767 1.00 74.05 H new ATOM 0 HG13 ILE A 56 7.787 15.273 14.673 1.00 74.05 H new ATOM 0 HG21 ILE A 56 8.445 13.669 16.386 1.00 34.30 H new ATOM 0 HG22 ILE A 56 9.147 14.196 17.934 1.00 34.30 H new ATOM 0 HG23 ILE A 56 7.423 14.478 17.597 1.00 34.30 H new ATOM 0 HD11 ILE A 56 5.815 16.720 14.806 1.00 42.23 H new ATOM 0 HD12 ILE A 56 5.923 15.685 16.250 1.00 42.23 H new ATOM 0 HD13 ILE A 56 6.396 17.399 16.345 1.00 42.23 H new ATOM 923 N THR A 57 9.225 16.516 19.971 1.00 43.12 N ATOM 924 CA THR A 57 10.049 16.178 21.148 1.00 10.33 C ATOM 925 C THR A 57 10.324 14.651 21.204 1.00 73.43 C ATOM 926 O THR A 57 9.743 13.891 20.424 1.00 1.13 O ATOM 927 CB THR A 57 9.369 16.700 22.452 1.00 12.23 C ATOM 928 OG1 THR A 57 10.257 16.557 23.565 1.00 2.25 O ATOM 929 CG2 THR A 57 8.030 15.998 22.749 1.00 61.11 C ATOM 0 H THR A 57 8.232 16.621 20.180 1.00 43.12 H new ATOM 0 HA THR A 57 11.015 16.675 21.060 1.00 10.33 H new ATOM 0 HB THR A 57 9.147 17.755 22.292 1.00 12.23 H new ATOM 0 HG1 THR A 57 9.820 16.889 24.377 1.00 2.25 H new ATOM 0 HG21 THR A 57 7.603 16.402 23.667 1.00 61.11 H new ATOM 0 HG22 THR A 57 7.339 16.167 21.923 1.00 61.11 H new ATOM 0 HG23 THR A 57 8.199 14.928 22.867 1.00 61.11 H new ATOM 937 N ARG A 58 11.170 14.204 22.163 1.00 63.33 N ATOM 938 CA ARG A 58 11.772 12.846 22.142 1.00 63.45 C ATOM 939 C ARG A 58 10.744 11.714 22.352 1.00 33.04 C ATOM 940 O ARG A 58 10.887 10.652 21.750 1.00 72.24 O ATOM 941 CB ARG A 58 12.950 12.744 23.173 1.00 63.43 C ATOM 942 CG ARG A 58 12.658 13.251 24.614 1.00 61.32 C ATOM 943 CD ARG A 58 11.935 12.236 25.531 1.00 32.23 C ATOM 944 NE ARG A 58 11.561 12.830 26.834 1.00 12.15 N ATOM 945 CZ ARG A 58 10.754 12.259 27.753 1.00 61.14 C ATOM 946 NH1 ARG A 58 10.213 11.061 27.543 1.00 3.40 N ATOM 947 NH2 ARG A 58 10.465 12.906 28.879 1.00 61.05 N ATOM 0 H ARG A 58 11.453 14.767 22.965 1.00 63.33 H new ATOM 0 HA ARG A 58 12.170 12.702 21.138 1.00 63.45 H new ATOM 0 HB2 ARG A 58 13.260 11.701 23.235 1.00 63.43 H new ATOM 0 HB3 ARG A 58 13.797 13.305 22.779 1.00 63.43 H new ATOM 0 HG2 ARG A 58 13.601 13.533 25.082 1.00 61.32 H new ATOM 0 HG3 ARG A 58 12.052 14.155 24.549 1.00 61.32 H new ATOM 0 HD2 ARG A 58 11.039 11.870 25.030 1.00 32.23 H new ATOM 0 HD3 ARG A 58 12.582 11.375 25.698 1.00 32.23 H new ATOM 0 HE ARG A 58 11.945 13.748 27.056 1.00 12.15 H new ATOM 0 HH11 ARG A 58 10.406 10.559 26.676 1.00 3.40 H new ATOM 0 HH12 ARG A 58 9.605 10.645 28.249 1.00 3.40 H new ATOM 0 HH21 ARG A 58 10.853 13.834 29.048 1.00 61.05 H new ATOM 0 HH22 ARG A 58 9.855 12.474 29.573 1.00 61.05 H new ATOM 961 N SER A 59 9.712 11.950 23.183 1.00 53.13 N ATOM 962 CA SER A 59 8.685 10.925 23.491 1.00 52.23 C ATOM 963 C SER A 59 7.803 10.664 22.257 1.00 44.44 C ATOM 964 O SER A 59 7.481 9.515 21.930 1.00 51.33 O ATOM 965 CB SER A 59 7.823 11.377 24.694 1.00 40.34 C ATOM 966 OG SER A 59 6.820 10.427 25.013 1.00 41.41 O ATOM 0 H SER A 59 9.563 12.841 23.656 1.00 53.13 H new ATOM 0 HA SER A 59 9.186 9.994 23.756 1.00 52.23 H new ATOM 0 HB2 SER A 59 8.464 11.533 25.562 1.00 40.34 H new ATOM 0 HB3 SER A 59 7.356 12.335 24.466 1.00 40.34 H new ATOM 0 HG SER A 59 6.298 10.747 25.778 1.00 41.41 H new ATOM 972 N ILE A 60 7.474 11.761 21.551 1.00 14.13 N ATOM 973 CA ILE A 60 6.639 11.734 20.345 1.00 35.42 C ATOM 974 C ILE A 60 7.430 11.126 19.170 1.00 25.24 C ATOM 975 O ILE A 60 6.890 10.325 18.403 1.00 3.13 O ATOM 976 CB ILE A 60 6.124 13.185 20.008 1.00 24.43 C ATOM 977 CG1 ILE A 60 5.287 13.746 21.207 1.00 35.11 C ATOM 978 CG2 ILE A 60 5.304 13.209 18.693 1.00 31.30 C ATOM 979 CD1 ILE A 60 4.808 15.177 21.039 1.00 72.21 C ATOM 0 H ILE A 60 7.785 12.698 21.807 1.00 14.13 H new ATOM 0 HA ILE A 60 5.767 11.105 20.523 1.00 35.42 H new ATOM 0 HB ILE A 60 6.990 13.828 19.854 1.00 24.43 H new ATOM 0 HG12 ILE A 60 4.420 13.103 21.358 1.00 35.11 H new ATOM 0 HG13 ILE A 60 5.890 13.684 22.113 1.00 35.11 H new ATOM 0 HG21 ILE A 60 4.966 14.226 18.494 1.00 31.30 H new ATOM 0 HG22 ILE A 60 5.929 12.866 17.868 1.00 31.30 H new ATOM 0 HG23 ILE A 60 4.440 12.552 18.791 1.00 31.30 H new ATOM 0 HD11 ILE A 60 4.238 15.476 21.919 1.00 72.21 H new ATOM 0 HD12 ILE A 60 5.668 15.837 20.922 1.00 72.21 H new ATOM 0 HD13 ILE A 60 4.174 15.247 20.155 1.00 72.21 H new ATOM 991 N GLN A 61 8.729 11.490 19.086 1.00 13.40 N ATOM 992 CA GLN A 61 9.673 10.949 18.089 1.00 24.50 C ATOM 993 C GLN A 61 9.824 9.429 18.260 1.00 4.30 C ATOM 994 O GLN A 61 9.865 8.698 17.279 1.00 13.23 O ATOM 995 CB GLN A 61 11.060 11.637 18.221 1.00 12.21 C ATOM 996 CG GLN A 61 12.160 11.045 17.310 1.00 32.24 C ATOM 997 CD GLN A 61 13.539 11.642 17.563 1.00 40.13 C ATOM 998 OE1 GLN A 61 14.280 11.177 18.427 1.00 14.13 O ATOM 999 NE2 GLN A 61 13.905 12.665 16.810 1.00 62.40 N ATOM 0 H GLN A 61 9.153 12.173 19.714 1.00 13.40 H new ATOM 0 HA GLN A 61 9.273 11.154 17.096 1.00 24.50 H new ATOM 0 HB2 GLN A 61 10.949 12.697 17.993 1.00 12.21 H new ATOM 0 HB3 GLN A 61 11.389 11.567 19.258 1.00 12.21 H new ATOM 0 HG2 GLN A 61 12.205 9.966 17.461 1.00 32.24 H new ATOM 0 HG3 GLN A 61 11.886 11.210 16.268 1.00 32.24 H new ATOM 0 HE21 GLN A 61 13.269 13.030 16.101 1.00 62.40 H new ATOM 0 HE22 GLN A 61 14.823 13.090 16.938 1.00 62.40 H new ATOM 1008 N ASP A 62 9.894 8.983 19.532 1.00 64.44 N ATOM 1009 CA ASP A 62 10.042 7.557 19.885 1.00 72.12 C ATOM 1010 C ASP A 62 8.827 6.741 19.399 1.00 54.14 C ATOM 1011 O ASP A 62 8.995 5.706 18.741 1.00 42.22 O ATOM 1012 CB ASP A 62 10.230 7.402 21.420 1.00 65.04 C ATOM 1013 CG ASP A 62 10.272 5.932 21.887 1.00 31.41 C ATOM 1014 OD1 ASP A 62 9.260 5.430 22.421 1.00 34.02 O ATOM 1015 OD2 ASP A 62 11.316 5.264 21.705 1.00 13.41 O ATOM 0 H ASP A 62 9.849 9.602 20.342 1.00 64.44 H new ATOM 0 HA ASP A 62 10.928 7.168 19.384 1.00 72.12 H new ATOM 0 HB2 ASP A 62 11.155 7.896 21.717 1.00 65.04 H new ATOM 0 HB3 ASP A 62 9.416 7.915 21.932 1.00 65.04 H new ATOM 1020 N MET A 63 7.612 7.244 19.707 1.00 70.01 N ATOM 1021 CA MET A 63 6.343 6.604 19.295 1.00 61.21 C ATOM 1022 C MET A 63 6.288 6.448 17.771 1.00 43.41 C ATOM 1023 O MET A 63 6.107 5.338 17.258 1.00 22.22 O ATOM 1024 CB MET A 63 5.113 7.422 19.772 1.00 65.11 C ATOM 1025 CG MET A 63 4.952 7.538 21.289 1.00 74.30 C ATOM 1026 SD MET A 63 3.386 8.301 21.751 1.00 51.25 S ATOM 1027 CE MET A 63 3.419 9.837 20.813 1.00 30.24 C ATOM 0 H MET A 63 7.483 8.101 20.245 1.00 70.01 H new ATOM 0 HA MET A 63 6.309 5.620 19.763 1.00 61.21 H new ATOM 0 HB2 MET A 63 5.181 8.426 19.353 1.00 65.11 H new ATOM 0 HB3 MET A 63 4.212 6.965 19.362 1.00 65.11 H new ATOM 0 HG2 MET A 63 5.017 6.546 21.736 1.00 74.30 H new ATOM 0 HG3 MET A 63 5.775 8.126 21.696 1.00 74.30 H new ATOM 0 HE1 MET A 63 2.478 10.369 20.953 1.00 30.24 H new ATOM 0 HE2 MET A 63 4.243 10.459 21.162 1.00 30.24 H new ATOM 0 HE3 MET A 63 3.556 9.614 19.755 1.00 30.24 H new ATOM 1037 N VAL A 64 6.496 7.570 17.057 1.00 14.13 N ATOM 1038 CA VAL A 64 6.330 7.614 15.595 1.00 74.44 C ATOM 1039 C VAL A 64 7.486 6.934 14.853 1.00 53.43 C ATOM 1040 O VAL A 64 7.292 6.480 13.743 1.00 2.24 O ATOM 1041 CB VAL A 64 6.088 9.067 15.059 1.00 72.41 C ATOM 1042 CG1 VAL A 64 4.857 9.710 15.760 1.00 40.21 C ATOM 1043 CG2 VAL A 64 7.355 9.939 15.190 1.00 55.22 C ATOM 0 H VAL A 64 6.780 8.458 17.471 1.00 14.13 H new ATOM 0 HA VAL A 64 5.428 7.040 15.383 1.00 74.44 H new ATOM 0 HB VAL A 64 5.865 9.005 13.994 1.00 72.41 H new ATOM 0 HG11 VAL A 64 4.705 10.718 15.375 1.00 40.21 H new ATOM 0 HG12 VAL A 64 3.970 9.108 15.562 1.00 40.21 H new ATOM 0 HG13 VAL A 64 5.033 9.755 16.835 1.00 40.21 H new ATOM 0 HG21 VAL A 64 7.149 10.939 14.809 1.00 55.22 H new ATOM 0 HG22 VAL A 64 7.646 10.003 16.239 1.00 55.22 H new ATOM 0 HG23 VAL A 64 8.166 9.491 14.616 1.00 55.22 H new ATOM 1053 N ALA A 65 8.671 6.836 15.484 1.00 54.11 N ATOM 1054 CA ALA A 65 9.794 6.050 14.931 1.00 62.34 C ATOM 1055 C ALA A 65 9.436 4.560 14.965 1.00 24.15 C ATOM 1056 O ALA A 65 9.756 3.816 14.039 1.00 31.03 O ATOM 1057 CB ALA A 65 11.092 6.310 15.700 1.00 43.21 C ATOM 0 H ALA A 65 8.877 7.289 16.374 1.00 54.11 H new ATOM 0 HA ALA A 65 9.961 6.360 13.900 1.00 62.34 H new ATOM 0 HB1 ALA A 65 11.897 5.716 15.267 1.00 43.21 H new ATOM 0 HB2 ALA A 65 11.347 7.368 15.636 1.00 43.21 H new ATOM 0 HB3 ALA A 65 10.958 6.031 16.745 1.00 43.21 H new ATOM 1063 N GLY A 66 8.733 4.154 16.045 1.00 70.43 N ATOM 1064 CA GLY A 66 8.162 2.815 16.143 1.00 33.42 C ATOM 1065 C GLY A 66 7.082 2.575 15.094 1.00 14.01 C ATOM 1066 O GLY A 66 7.047 1.516 14.477 1.00 31.41 O ATOM 0 H GLY A 66 8.553 4.744 16.857 1.00 70.43 H new ATOM 0 HA2 GLY A 66 8.953 2.074 16.025 1.00 33.42 H new ATOM 0 HA3 GLY A 66 7.739 2.673 17.138 1.00 33.42 H new ATOM 1070 N TYR A 67 6.233 3.600 14.864 1.00 32.31 N ATOM 1071 CA TYR A 67 5.126 3.524 13.892 1.00 42.34 C ATOM 1072 C TYR A 67 5.642 3.438 12.436 1.00 34.25 C ATOM 1073 O TYR A 67 5.082 2.688 11.620 1.00 22.43 O ATOM 1074 CB TYR A 67 4.161 4.731 14.045 1.00 14.13 C ATOM 1075 CG TYR A 67 3.436 4.831 15.411 1.00 44.01 C ATOM 1076 CD1 TYR A 67 3.210 6.071 16.021 1.00 41.32 C ATOM 1077 CD2 TYR A 67 2.981 3.692 16.088 1.00 60.04 C ATOM 1078 CE1 TYR A 67 2.555 6.171 17.236 1.00 61.05 C ATOM 1079 CE2 TYR A 67 2.324 3.792 17.305 1.00 43.43 C ATOM 1080 CZ TYR A 67 2.119 5.034 17.874 1.00 1.45 C ATOM 1081 OH TYR A 67 1.456 5.138 19.082 1.00 23.42 O ATOM 0 H TYR A 67 6.297 4.497 15.345 1.00 32.31 H new ATOM 0 HA TYR A 67 4.578 2.607 14.110 1.00 42.34 H new ATOM 0 HB2 TYR A 67 4.726 5.649 13.884 1.00 14.13 H new ATOM 0 HB3 TYR A 67 3.410 4.677 13.257 1.00 14.13 H new ATOM 0 HD1 TYR A 67 3.555 6.970 15.532 1.00 41.32 H new ATOM 0 HD2 TYR A 67 3.145 2.717 15.654 1.00 60.04 H new ATOM 0 HE1 TYR A 67 2.387 7.140 17.682 1.00 61.05 H new ATOM 0 HE2 TYR A 67 1.974 2.902 17.806 1.00 43.43 H new ATOM 0 HH TYR A 67 1.214 4.243 19.400 1.00 23.42 H new ATOM 1091 N ILE A 68 6.724 4.198 12.125 1.00 1.23 N ATOM 1092 CA ILE A 68 7.354 4.186 10.788 1.00 44.14 C ATOM 1093 C ILE A 68 8.076 2.839 10.586 1.00 24.54 C ATOM 1094 O ILE A 68 7.986 2.249 9.523 1.00 2.25 O ATOM 1095 CB ILE A 68 8.371 5.380 10.535 1.00 32.01 C ATOM 1096 CG1 ILE A 68 7.702 6.773 10.750 1.00 62.21 C ATOM 1097 CG2 ILE A 68 8.953 5.306 9.097 1.00 74.43 C ATOM 1098 CD1 ILE A 68 8.649 7.970 10.681 1.00 43.32 C ATOM 0 H ILE A 68 7.176 4.827 12.788 1.00 1.23 H new ATOM 0 HA ILE A 68 6.550 4.320 10.064 1.00 44.14 H new ATOM 0 HB ILE A 68 9.175 5.272 11.263 1.00 32.01 H new ATOM 0 HG12 ILE A 68 6.923 6.903 9.999 1.00 62.21 H new ATOM 0 HG13 ILE A 68 7.210 6.775 11.723 1.00 62.21 H new ATOM 0 HG21 ILE A 68 9.647 6.132 8.943 1.00 74.43 H new ATOM 0 HG22 ILE A 68 9.479 4.360 8.966 1.00 74.43 H new ATOM 0 HG23 ILE A 68 8.142 5.374 8.372 1.00 74.43 H new ATOM 0 HD11 ILE A 68 8.086 8.889 10.843 1.00 43.32 H new ATOM 0 HD12 ILE A 68 9.415 7.873 11.451 1.00 43.32 H new ATOM 0 HD13 ILE A 68 9.123 8.003 9.700 1.00 43.32 H new ATOM 1110 N LYS A 69 8.761 2.358 11.641 1.00 71.33 N ATOM 1111 CA LYS A 69 9.458 1.050 11.634 1.00 21.55 C ATOM 1112 C LYS A 69 8.493 -0.096 11.246 1.00 71.14 C ATOM 1113 O LYS A 69 8.806 -0.915 10.366 1.00 62.41 O ATOM 1114 CB LYS A 69 10.065 0.774 13.032 1.00 41.12 C ATOM 1115 CG LYS A 69 10.824 -0.572 13.171 1.00 63.55 C ATOM 1116 CD LYS A 69 11.022 -0.999 14.647 1.00 13.23 C ATOM 1117 CE LYS A 69 9.680 -1.212 15.378 1.00 51.30 C ATOM 1118 NZ LYS A 69 9.867 -1.644 16.787 1.00 43.22 N ATOM 0 H LYS A 69 8.849 2.862 12.523 1.00 71.33 H new ATOM 0 HA LYS A 69 10.253 1.091 10.890 1.00 21.55 H new ATOM 0 HB2 LYS A 69 10.749 1.585 13.279 1.00 41.12 H new ATOM 0 HB3 LYS A 69 9.263 0.798 13.769 1.00 41.12 H new ATOM 0 HG2 LYS A 69 10.274 -1.351 12.643 1.00 63.55 H new ATOM 0 HG3 LYS A 69 11.798 -0.487 12.688 1.00 63.55 H new ATOM 0 HD2 LYS A 69 11.603 -1.921 14.682 1.00 13.23 H new ATOM 0 HD3 LYS A 69 11.601 -0.237 15.169 1.00 13.23 H new ATOM 0 HE2 LYS A 69 9.107 -0.285 15.358 1.00 51.30 H new ATOM 0 HE3 LYS A 69 9.094 -1.961 14.846 1.00 51.30 H new ATOM 0 HZ1 LYS A 69 8.938 -1.774 17.236 1.00 43.22 H new ATOM 0 HZ2 LYS A 69 10.391 -2.542 16.808 1.00 43.22 H new ATOM 0 HZ3 LYS A 69 10.403 -0.918 17.304 1.00 43.22 H new ATOM 1132 N GLN A 70 7.309 -0.103 11.895 1.00 72.33 N ATOM 1133 CA GLN A 70 6.258 -1.103 11.647 1.00 23.00 C ATOM 1134 C GLN A 70 5.737 -0.997 10.209 1.00 22.41 C ATOM 1135 O GLN A 70 5.659 -2.002 9.501 1.00 71.30 O ATOM 1136 CB GLN A 70 5.083 -0.927 12.643 1.00 41.41 C ATOM 1137 CG GLN A 70 5.434 -1.191 14.124 1.00 71.41 C ATOM 1138 CD GLN A 70 4.240 -1.038 15.080 1.00 24.33 C ATOM 1139 OE1 GLN A 70 3.045 -1.446 14.653 1.00 74.30 O flip ATOM 1140 NE2 GLN A 70 4.396 -0.593 16.219 1.00 50.44 N flip ATOM 0 H GLN A 70 7.059 0.586 12.605 1.00 72.33 H new ATOM 0 HA GLN A 70 6.697 -2.090 11.792 1.00 23.00 H new ATOM 0 HB2 GLN A 70 4.699 0.089 12.552 1.00 41.41 H new ATOM 0 HB3 GLN A 70 4.276 -1.599 12.352 1.00 41.41 H new ATOM 0 HG2 GLN A 70 5.836 -2.200 14.218 1.00 71.41 H new ATOM 0 HG3 GLN A 70 6.223 -0.503 14.429 1.00 71.41 H new ATOM 0 HE21 GLN A 70 5.320 -0.286 16.525 1.00 50.44 H new ATOM 0 HE22 GLN A 70 3.602 -0.531 16.856 1.00 50.44 H new ATOM 1149 N THR A 71 5.419 0.240 9.778 1.00 34.12 N ATOM 1150 CA THR A 71 4.814 0.479 8.463 1.00 0.44 C ATOM 1151 C THR A 71 5.821 0.195 7.327 1.00 32.40 C ATOM 1152 O THR A 71 5.418 -0.177 6.234 1.00 54.32 O ATOM 1153 CB THR A 71 4.203 1.921 8.344 1.00 33.21 C ATOM 1154 OG1 THR A 71 3.214 1.951 7.315 1.00 74.01 O ATOM 1155 CG2 THR A 71 5.234 3.021 8.040 1.00 61.13 C ATOM 0 H THR A 71 5.573 1.086 10.326 1.00 34.12 H new ATOM 0 HA THR A 71 3.986 -0.222 8.359 1.00 0.44 H new ATOM 0 HB THR A 71 3.776 2.133 9.325 1.00 33.21 H new ATOM 0 HG1 THR A 71 3.290 2.789 6.813 1.00 74.01 H new ATOM 0 HG21 THR A 71 4.729 3.985 7.974 1.00 61.13 H new ATOM 0 HG22 THR A 71 5.977 3.054 8.837 1.00 61.13 H new ATOM 0 HG23 THR A 71 5.728 2.805 7.093 1.00 61.13 H new ATOM 1163 N LEU A 72 7.137 0.337 7.619 1.00 22.43 N ATOM 1164 CA LEU A 72 8.207 0.008 6.658 1.00 41.45 C ATOM 1165 C LEU A 72 8.278 -1.498 6.437 1.00 11.31 C ATOM 1166 O LEU A 72 8.360 -1.965 5.296 1.00 23.01 O ATOM 1167 CB LEU A 72 9.598 0.543 7.100 1.00 72.54 C ATOM 1168 CG LEU A 72 9.799 2.087 7.024 1.00 22.31 C ATOM 1169 CD1 LEU A 72 11.211 2.484 7.489 1.00 64.53 C ATOM 1170 CD2 LEU A 72 9.505 2.626 5.609 1.00 30.32 C ATOM 0 H LEU A 72 7.479 0.679 8.517 1.00 22.43 H new ATOM 0 HA LEU A 72 7.951 0.506 5.723 1.00 41.45 H new ATOM 0 HB2 LEU A 72 9.777 0.225 8.127 1.00 72.54 H new ATOM 0 HB3 LEU A 72 10.360 0.068 6.482 1.00 72.54 H new ATOM 0 HG LEU A 72 9.081 2.547 7.704 1.00 22.31 H new ATOM 0 HD11 LEU A 72 11.324 3.566 7.426 1.00 64.53 H new ATOM 0 HD12 LEU A 72 11.358 2.163 8.520 1.00 64.53 H new ATOM 0 HD13 LEU A 72 11.953 2.004 6.851 1.00 64.53 H new ATOM 0 HD21 LEU A 72 9.655 3.705 5.592 1.00 30.32 H new ATOM 0 HD22 LEU A 72 10.178 2.155 4.893 1.00 30.32 H new ATOM 0 HD23 LEU A 72 8.473 2.399 5.340 1.00 30.32 H new ATOM 1182 N ASP A 73 8.245 -2.233 7.555 1.00 63.03 N ATOM 1183 CA ASP A 73 8.266 -3.694 7.567 1.00 64.05 C ATOM 1184 C ASP A 73 7.091 -4.256 6.741 1.00 2.03 C ATOM 1185 O ASP A 73 7.296 -4.944 5.736 1.00 64.32 O ATOM 1186 CB ASP A 73 8.210 -4.196 9.038 1.00 51.11 C ATOM 1187 CG ASP A 73 8.034 -5.720 9.162 1.00 4.44 C ATOM 1188 OD1 ASP A 73 6.881 -6.186 9.295 1.00 70.10 O ATOM 1189 OD2 ASP A 73 9.047 -6.454 9.135 1.00 53.55 O ATOM 0 H ASP A 73 8.202 -1.821 8.487 1.00 63.03 H new ATOM 0 HA ASP A 73 9.189 -4.050 7.110 1.00 64.05 H new ATOM 0 HB2 ASP A 73 9.127 -3.902 9.549 1.00 51.11 H new ATOM 0 HB3 ASP A 73 7.386 -3.700 9.551 1.00 51.11 H new ATOM 1194 N ASN A 74 5.873 -3.872 7.149 1.00 0.43 N ATOM 1195 CA ASN A 74 4.626 -4.403 6.589 1.00 11.33 C ATOM 1196 C ASN A 74 4.479 -4.069 5.091 1.00 41.22 C ATOM 1197 O ASN A 74 4.150 -4.943 4.286 1.00 35.32 O ATOM 1198 CB ASN A 74 3.413 -3.857 7.381 1.00 21.32 C ATOM 1199 CG ASN A 74 3.461 -4.116 8.905 1.00 2.22 C ATOM 1200 OD1 ASN A 74 4.109 -5.188 9.353 1.00 51.23 O flip ATOM 1201 ND2 ASN A 74 2.922 -3.339 9.686 1.00 31.24 N flip ATOM 0 H ASN A 74 5.727 -3.179 7.883 1.00 0.43 H new ATOM 0 HA ASN A 74 4.659 -5.489 6.680 1.00 11.33 H new ATOM 0 HB2 ASN A 74 3.341 -2.783 7.212 1.00 21.32 H new ATOM 0 HB3 ASN A 74 2.504 -4.305 6.979 1.00 21.32 H new ATOM 0 HD21 ASN A 74 2.428 -2.520 9.331 1.00 31.24 H new ATOM 0 HD22 ASN A 74 2.968 -3.512 10.690 1.00 31.24 H new ATOM 1208 N GLU A 75 4.774 -2.810 4.731 1.00 5.23 N ATOM 1209 CA GLU A 75 4.582 -2.285 3.361 1.00 33.33 C ATOM 1210 C GLU A 75 5.678 -2.779 2.384 1.00 21.43 C ATOM 1211 O GLU A 75 5.440 -2.848 1.174 1.00 11.33 O ATOM 1212 CB GLU A 75 4.495 -0.744 3.440 1.00 4.41 C ATOM 1213 CG GLU A 75 4.337 0.027 2.123 1.00 64.22 C ATOM 1214 CD GLU A 75 4.144 1.543 2.341 1.00 51.40 C ATOM 1215 OE1 GLU A 75 2.991 2.031 2.284 1.00 41.31 O ATOM 1216 OE2 GLU A 75 5.138 2.248 2.598 1.00 32.31 O ATOM 0 H GLU A 75 5.154 -2.122 5.381 1.00 5.23 H new ATOM 0 HA GLU A 75 3.650 -2.671 2.948 1.00 33.33 H new ATOM 0 HB2 GLU A 75 3.653 -0.488 4.083 1.00 4.41 H new ATOM 0 HB3 GLU A 75 5.396 -0.382 3.935 1.00 4.41 H new ATOM 0 HG2 GLU A 75 5.218 -0.138 1.502 1.00 64.22 H new ATOM 0 HG3 GLU A 75 3.482 -0.369 1.575 1.00 64.22 H new ATOM 1223 N GLN A 76 6.864 -3.154 2.913 1.00 1.44 N ATOM 1224 CA GLN A 76 7.924 -3.811 2.101 1.00 70.35 C ATOM 1225 C GLN A 76 7.521 -5.268 1.780 1.00 13.12 C ATOM 1226 O GLN A 76 7.770 -5.773 0.670 1.00 51.23 O ATOM 1227 CB GLN A 76 9.295 -3.780 2.825 1.00 13.13 C ATOM 1228 CG GLN A 76 10.455 -4.416 2.018 1.00 21.13 C ATOM 1229 CD GLN A 76 11.829 -4.374 2.702 1.00 73.13 C ATOM 1230 OE1 GLN A 76 12.860 -4.280 2.034 1.00 1.32 O ATOM 1231 NE2 GLN A 76 11.868 -4.485 4.024 1.00 63.24 N ATOM 0 H GLN A 76 7.115 -3.016 3.892 1.00 1.44 H new ATOM 0 HA GLN A 76 8.027 -3.254 1.170 1.00 70.35 H new ATOM 0 HB2 GLN A 76 9.550 -2.745 3.052 1.00 13.13 H new ATOM 0 HB3 GLN A 76 9.202 -4.301 3.778 1.00 13.13 H new ATOM 0 HG2 GLN A 76 10.203 -5.456 1.809 1.00 21.13 H new ATOM 0 HG3 GLN A 76 10.530 -3.906 1.057 1.00 21.13 H new ATOM 0 HE21 GLN A 76 11.001 -4.561 4.555 1.00 63.24 H new ATOM 0 HE22 GLN A 76 12.765 -4.494 4.509 1.00 63.24 H new ATOM 1240 N LEU A 77 6.884 -5.928 2.766 1.00 54.40 N ATOM 1241 CA LEU A 77 6.330 -7.282 2.593 1.00 52.02 C ATOM 1242 C LEU A 77 5.168 -7.261 1.575 1.00 24.02 C ATOM 1243 O LEU A 77 5.002 -8.208 0.813 1.00 34.03 O ATOM 1244 CB LEU A 77 5.872 -7.869 3.957 1.00 21.43 C ATOM 1245 CG LEU A 77 6.984 -8.076 5.037 1.00 51.54 C ATOM 1246 CD1 LEU A 77 6.398 -8.647 6.352 1.00 34.21 C ATOM 1247 CD2 LEU A 77 8.127 -8.960 4.494 1.00 14.24 C ATOM 0 H LEU A 77 6.740 -5.540 3.698 1.00 54.40 H new ATOM 0 HA LEU A 77 7.113 -7.930 2.200 1.00 52.02 H new ATOM 0 HB2 LEU A 77 5.111 -7.210 4.374 1.00 21.43 H new ATOM 0 HB3 LEU A 77 5.394 -8.831 3.771 1.00 21.43 H new ATOM 0 HG LEU A 77 7.406 -7.098 5.271 1.00 51.54 H new ATOM 0 HD11 LEU A 77 7.198 -8.778 7.080 1.00 34.21 H new ATOM 0 HD12 LEU A 77 5.655 -7.955 6.750 1.00 34.21 H new ATOM 0 HD13 LEU A 77 5.927 -9.610 6.153 1.00 34.21 H new ATOM 0 HD21 LEU A 77 8.886 -9.087 5.266 1.00 14.24 H new ATOM 0 HD22 LEU A 77 7.730 -9.935 4.211 1.00 14.24 H new ATOM 0 HD23 LEU A 77 8.573 -8.483 3.621 1.00 14.24 H new ATOM 1259 N LEU A 78 4.385 -6.158 1.570 1.00 71.13 N ATOM 1260 CA LEU A 78 3.331 -5.917 0.557 1.00 44.43 C ATOM 1261 C LEU A 78 3.951 -5.742 -0.834 1.00 12.14 C ATOM 1262 O LEU A 78 3.456 -6.293 -1.803 1.00 35.33 O ATOM 1263 CB LEU A 78 2.514 -4.643 0.884 1.00 51.10 C ATOM 1264 CG LEU A 78 1.709 -4.650 2.208 1.00 62.35 C ATOM 1265 CD1 LEU A 78 1.143 -3.246 2.483 1.00 34.14 C ATOM 1266 CD2 LEU A 78 0.597 -5.726 2.184 1.00 61.44 C ATOM 0 H LEU A 78 4.465 -5.414 2.263 1.00 71.13 H new ATOM 0 HA LEU A 78 2.672 -6.785 0.571 1.00 44.43 H new ATOM 0 HB2 LEU A 78 3.200 -3.796 0.908 1.00 51.10 H new ATOM 0 HB3 LEU A 78 1.818 -4.466 0.064 1.00 51.10 H new ATOM 0 HG LEU A 78 2.380 -4.912 3.026 1.00 62.35 H new ATOM 0 HD11 LEU A 78 0.578 -3.258 3.415 1.00 34.14 H new ATOM 0 HD12 LEU A 78 1.963 -2.533 2.565 1.00 34.14 H new ATOM 0 HD13 LEU A 78 0.486 -2.952 1.664 1.00 34.14 H new ATOM 0 HD21 LEU A 78 0.050 -5.705 3.127 1.00 61.44 H new ATOM 0 HD22 LEU A 78 -0.089 -5.522 1.362 1.00 61.44 H new ATOM 0 HD23 LEU A 78 1.046 -6.710 2.046 1.00 61.44 H new ATOM 1278 N LYS A 79 5.037 -4.949 -0.896 1.00 33.02 N ATOM 1279 CA LYS A 79 5.761 -4.638 -2.143 1.00 40.24 C ATOM 1280 C LYS A 79 6.106 -5.934 -2.909 1.00 11.41 C ATOM 1281 O LYS A 79 5.683 -6.108 -4.058 1.00 13.20 O ATOM 1282 CB LYS A 79 7.034 -3.811 -1.799 1.00 1.12 C ATOM 1283 CG LYS A 79 7.976 -3.490 -2.979 1.00 51.23 C ATOM 1284 CD LYS A 79 9.217 -2.679 -2.531 1.00 61.42 C ATOM 1285 CE LYS A 79 10.303 -2.583 -3.617 1.00 0.34 C ATOM 1286 NZ LYS A 79 9.815 -1.921 -4.855 1.00 32.53 N ATOM 0 H LYS A 79 5.441 -4.501 -0.073 1.00 33.02 H new ATOM 0 HA LYS A 79 5.128 -4.041 -2.799 1.00 40.24 H new ATOM 0 HB2 LYS A 79 6.720 -2.871 -1.345 1.00 1.12 H new ATOM 0 HB3 LYS A 79 7.603 -4.355 -1.044 1.00 1.12 H new ATOM 0 HG2 LYS A 79 8.301 -4.420 -3.446 1.00 51.23 H new ATOM 0 HG3 LYS A 79 7.429 -2.927 -3.736 1.00 51.23 H new ATOM 0 HD2 LYS A 79 8.904 -1.674 -2.250 1.00 61.42 H new ATOM 0 HD3 LYS A 79 9.643 -3.141 -1.640 1.00 61.42 H new ATOM 0 HE2 LYS A 79 11.156 -2.029 -3.225 1.00 0.34 H new ATOM 0 HE3 LYS A 79 10.658 -3.584 -3.860 1.00 0.34 H new ATOM 0 HZ1 LYS A 79 10.611 -1.775 -5.508 1.00 32.53 H new ATOM 0 HZ2 LYS A 79 9.099 -2.522 -5.311 1.00 32.53 H new ATOM 0 HZ3 LYS A 79 9.392 -1.002 -4.614 1.00 32.53 H new ATOM 1300 N GLY A 80 6.785 -6.870 -2.216 1.00 11.25 N ATOM 1301 CA GLY A 80 7.185 -8.153 -2.813 1.00 51.33 C ATOM 1302 C GLY A 80 6.031 -9.146 -3.030 1.00 51.33 C ATOM 1303 O GLY A 80 5.956 -9.774 -4.091 1.00 2.42 O ATOM 0 H GLY A 80 7.066 -6.758 -1.242 1.00 11.25 H new ATOM 0 HA2 GLY A 80 7.665 -7.958 -3.772 1.00 51.33 H new ATOM 0 HA3 GLY A 80 7.933 -8.620 -2.172 1.00 51.33 H new ATOM 1307 N LEU A 81 5.137 -9.288 -2.021 1.00 20.33 N ATOM 1308 CA LEU A 81 4.002 -10.259 -2.057 1.00 52.35 C ATOM 1309 C LEU A 81 3.035 -9.896 -3.194 1.00 1.12 C ATOM 1310 O LEU A 81 2.715 -10.737 -4.049 1.00 34.23 O ATOM 1311 CB LEU A 81 3.279 -10.285 -0.663 1.00 74.21 C ATOM 1312 CG LEU A 81 2.230 -11.433 -0.359 1.00 4.24 C ATOM 1313 CD1 LEU A 81 1.954 -11.532 1.161 1.00 13.50 C ATOM 1314 CD2 LEU A 81 0.883 -11.253 -1.109 1.00 55.34 C ATOM 0 H LEU A 81 5.177 -8.739 -1.162 1.00 20.33 H new ATOM 0 HA LEU A 81 4.383 -11.261 -2.255 1.00 52.35 H new ATOM 0 HB2 LEU A 81 4.050 -10.333 0.106 1.00 74.21 H new ATOM 0 HB3 LEU A 81 2.766 -9.331 -0.541 1.00 74.21 H new ATOM 0 HG LEU A 81 2.686 -12.354 -0.723 1.00 4.24 H new ATOM 0 HD11 LEU A 81 1.231 -12.326 1.349 1.00 13.50 H new ATOM 0 HD12 LEU A 81 2.883 -11.755 1.686 1.00 13.50 H new ATOM 0 HD13 LEU A 81 1.553 -10.584 1.521 1.00 13.50 H new ATOM 0 HD21 LEU A 81 0.212 -12.074 -0.855 1.00 55.34 H new ATOM 0 HD22 LEU A 81 0.427 -10.308 -0.816 1.00 55.34 H new ATOM 0 HD23 LEU A 81 1.063 -11.251 -2.184 1.00 55.34 H new ATOM 1326 N LEU A 82 2.580 -8.631 -3.188 1.00 44.21 N ATOM 1327 CA LEU A 82 1.659 -8.106 -4.199 1.00 13.21 C ATOM 1328 C LEU A 82 2.345 -8.018 -5.580 1.00 4.04 C ATOM 1329 O LEU A 82 1.653 -8.061 -6.588 1.00 2.45 O ATOM 1330 CB LEU A 82 1.073 -6.720 -3.777 1.00 32.10 C ATOM 1331 CG LEU A 82 0.323 -6.665 -2.399 1.00 63.25 C ATOM 1332 CD1 LEU A 82 -0.196 -5.233 -2.100 1.00 1.41 C ATOM 1333 CD2 LEU A 82 -0.814 -7.707 -2.336 1.00 33.41 C ATOM 0 H LEU A 82 2.844 -7.947 -2.479 1.00 44.21 H new ATOM 0 HA LEU A 82 0.826 -8.805 -4.278 1.00 13.21 H new ATOM 0 HB2 LEU A 82 1.890 -5.999 -3.750 1.00 32.10 H new ATOM 0 HB3 LEU A 82 0.383 -6.391 -4.554 1.00 32.10 H new ATOM 0 HG LEU A 82 1.040 -6.922 -1.620 1.00 63.25 H new ATOM 0 HD11 LEU A 82 -0.711 -5.226 -1.139 1.00 1.41 H new ATOM 0 HD12 LEU A 82 0.645 -4.541 -2.066 1.00 1.41 H new ATOM 0 HD13 LEU A 82 -0.887 -4.925 -2.885 1.00 1.41 H new ATOM 0 HD21 LEU A 82 -1.313 -7.643 -1.369 1.00 33.41 H new ATOM 0 HD22 LEU A 82 -1.534 -7.508 -3.130 1.00 33.41 H new ATOM 0 HD23 LEU A 82 -0.399 -8.707 -2.464 1.00 33.41 H new ATOM 1345 N GLN A 83 3.706 -7.879 -5.625 1.00 61.25 N ATOM 1346 CA GLN A 83 4.460 -7.920 -6.909 1.00 30.31 C ATOM 1347 C GLN A 83 4.297 -9.286 -7.585 1.00 41.32 C ATOM 1348 O GLN A 83 4.055 -9.358 -8.795 1.00 11.00 O ATOM 1349 CB GLN A 83 5.967 -7.610 -6.720 1.00 51.30 C ATOM 1350 CG GLN A 83 6.743 -7.393 -8.040 1.00 63.30 C ATOM 1351 CD GLN A 83 8.256 -7.248 -7.869 1.00 60.40 C ATOM 1352 OE1 GLN A 83 8.843 -8.005 -6.955 1.00 23.01 O flip ATOM 1353 NE2 GLN A 83 8.905 -6.497 -8.596 1.00 60.15 N flip ATOM 0 H GLN A 83 4.290 -7.740 -4.800 1.00 61.25 H new ATOM 0 HA GLN A 83 4.038 -7.142 -7.545 1.00 30.31 H new ATOM 0 HB2 GLN A 83 6.068 -6.718 -6.102 1.00 51.30 H new ATOM 0 HB3 GLN A 83 6.429 -8.431 -6.172 1.00 51.30 H new ATOM 0 HG2 GLN A 83 6.544 -8.233 -8.706 1.00 63.30 H new ATOM 0 HG3 GLN A 83 6.358 -6.499 -8.530 1.00 63.30 H new ATOM 0 HE21 GLN A 83 8.429 -5.924 -9.293 1.00 60.15 H new ATOM 0 HE22 GLN A 83 9.919 -6.447 -8.502 1.00 60.15 H new ATOM 1362 N GLN A 84 4.414 -10.358 -6.770 1.00 22.24 N ATOM 1363 CA GLN A 84 4.164 -11.734 -7.224 1.00 43.33 C ATOM 1364 C GLN A 84 2.732 -11.837 -7.768 1.00 0.31 C ATOM 1365 O GLN A 84 2.531 -12.267 -8.897 1.00 42.33 O ATOM 1366 CB GLN A 84 4.348 -12.761 -6.084 1.00 50.10 C ATOM 1367 CG GLN A 84 5.746 -12.815 -5.441 1.00 24.22 C ATOM 1368 CD GLN A 84 5.901 -13.941 -4.404 1.00 31.33 C ATOM 1369 OE1 GLN A 84 5.272 -15.089 -4.641 1.00 44.51 O flip ATOM 1370 NE2 GLN A 84 6.617 -13.795 -3.414 1.00 60.30 N flip ATOM 0 H GLN A 84 4.682 -10.290 -5.788 1.00 22.24 H new ATOM 0 HA GLN A 84 4.890 -11.964 -8.004 1.00 43.33 H new ATOM 0 HB2 GLN A 84 3.619 -12.542 -5.303 1.00 50.10 H new ATOM 0 HB3 GLN A 84 4.110 -13.751 -6.473 1.00 50.10 H new ATOM 0 HG2 GLN A 84 6.493 -12.948 -6.224 1.00 24.22 H new ATOM 0 HG3 GLN A 84 5.954 -11.859 -4.961 1.00 24.22 H new ATOM 0 HE21 GLN A 84 7.089 -12.905 -3.253 1.00 60.30 H new ATOM 0 HE22 GLN A 84 6.738 -14.564 -2.754 1.00 60.30 H new ATOM 1379 N ARG A 85 1.764 -11.364 -6.948 1.00 74.21 N ATOM 1380 CA ARG A 85 0.325 -11.399 -7.268 1.00 43.43 C ATOM 1381 C ARG A 85 0.027 -10.704 -8.612 1.00 54.23 C ATOM 1382 O ARG A 85 -0.687 -11.253 -9.432 1.00 30.15 O ATOM 1383 CB ARG A 85 -0.500 -10.724 -6.143 1.00 61.23 C ATOM 1384 CG ARG A 85 -0.424 -11.395 -4.751 1.00 40.42 C ATOM 1385 CD ARG A 85 -1.312 -12.648 -4.597 1.00 32.25 C ATOM 1386 NE ARG A 85 -0.798 -13.871 -5.256 1.00 53.45 N ATOM 1387 CZ ARG A 85 -1.037 -15.128 -4.816 1.00 63.43 C ATOM 1388 NH1 ARG A 85 -1.770 -15.351 -3.718 1.00 44.45 N ATOM 1389 NH2 ARG A 85 -0.537 -16.164 -5.470 1.00 32.15 N ATOM 0 H ARG A 85 1.966 -10.945 -6.040 1.00 74.21 H new ATOM 0 HA ARG A 85 0.037 -12.447 -7.350 1.00 43.43 H new ATOM 0 HB2 ARG A 85 -0.167 -9.691 -6.045 1.00 61.23 H new ATOM 0 HB3 ARG A 85 -1.544 -10.694 -6.453 1.00 61.23 H new ATOM 0 HG2 ARG A 85 0.611 -11.672 -4.551 1.00 40.42 H new ATOM 0 HG3 ARG A 85 -0.711 -10.666 -3.994 1.00 40.42 H new ATOM 0 HD2 ARG A 85 -1.441 -12.854 -3.534 1.00 32.25 H new ATOM 0 HD3 ARG A 85 -2.300 -12.425 -5.000 1.00 32.25 H new ATOM 0 HE ARG A 85 -0.228 -13.758 -6.094 1.00 53.45 H new ATOM 0 HH11 ARG A 85 -2.160 -14.566 -3.197 1.00 44.45 H new ATOM 0 HH12 ARG A 85 -1.939 -16.306 -3.403 1.00 44.45 H new ATOM 0 HH21 ARG A 85 0.029 -16.015 -6.306 1.00 32.15 H new ATOM 0 HH22 ARG A 85 -0.717 -17.112 -5.138 1.00 32.15 H new ATOM 1403 N LEU A 86 0.621 -9.512 -8.829 1.00 54.21 N ATOM 1404 CA LEU A 86 0.376 -8.700 -10.041 1.00 64.32 C ATOM 1405 C LEU A 86 1.025 -9.328 -11.279 1.00 40.11 C ATOM 1406 O LEU A 86 0.473 -9.244 -12.366 1.00 2.34 O ATOM 1407 CB LEU A 86 0.873 -7.237 -9.850 1.00 1.02 C ATOM 1408 CG LEU A 86 0.082 -6.385 -8.805 1.00 13.44 C ATOM 1409 CD1 LEU A 86 0.599 -4.932 -8.752 1.00 71.21 C ATOM 1410 CD2 LEU A 86 -1.434 -6.433 -9.081 1.00 71.31 C ATOM 0 H LEU A 86 1.279 -9.087 -8.175 1.00 54.21 H new ATOM 0 HA LEU A 86 -0.702 -8.677 -10.200 1.00 64.32 H new ATOM 0 HB2 LEU A 86 1.921 -7.265 -9.551 1.00 1.02 H new ATOM 0 HB3 LEU A 86 0.830 -6.729 -10.813 1.00 1.02 H new ATOM 0 HG LEU A 86 0.254 -6.826 -7.823 1.00 13.44 H new ATOM 0 HD11 LEU A 86 0.026 -4.369 -8.015 1.00 71.21 H new ATOM 0 HD12 LEU A 86 1.652 -4.931 -8.471 1.00 71.21 H new ATOM 0 HD13 LEU A 86 0.484 -4.469 -9.732 1.00 71.21 H new ATOM 0 HD21 LEU A 86 -1.958 -5.831 -8.338 1.00 71.31 H new ATOM 0 HD22 LEU A 86 -1.635 -6.037 -10.076 1.00 71.31 H new ATOM 0 HD23 LEU A 86 -1.782 -7.464 -9.024 1.00 71.31 H new ATOM 1422 N ASP A 87 2.189 -9.965 -11.091 1.00 64.23 N ATOM 1423 CA ASP A 87 2.905 -10.674 -12.171 1.00 72.33 C ATOM 1424 C ASP A 87 2.100 -11.910 -12.622 1.00 40.03 C ATOM 1425 O ASP A 87 2.004 -12.209 -13.821 1.00 44.04 O ATOM 1426 CB ASP A 87 4.325 -11.082 -11.692 1.00 41.34 C ATOM 1427 CG ASP A 87 5.161 -11.775 -12.782 1.00 30.13 C ATOM 1428 OD1 ASP A 87 5.737 -11.067 -13.640 1.00 45.20 O ATOM 1429 OD2 ASP A 87 5.254 -13.025 -12.784 1.00 72.30 O ATOM 0 H ASP A 87 2.664 -10.006 -10.189 1.00 64.23 H new ATOM 0 HA ASP A 87 3.011 -10.006 -13.026 1.00 72.33 H new ATOM 0 HB2 ASP A 87 4.854 -10.193 -11.349 1.00 41.34 H new ATOM 0 HB3 ASP A 87 4.234 -11.749 -10.835 1.00 41.34 H new ATOM 1434 N GLU A 88 1.485 -12.586 -11.628 1.00 61.43 N ATOM 1435 CA GLU A 88 0.616 -13.755 -11.842 1.00 13.01 C ATOM 1436 C GLU A 88 -0.655 -13.332 -12.599 1.00 52.51 C ATOM 1437 O GLU A 88 -0.924 -13.847 -13.684 1.00 40.24 O ATOM 1438 CB GLU A 88 0.250 -14.411 -10.481 1.00 33.11 C ATOM 1439 CG GLU A 88 1.449 -15.035 -9.734 1.00 64.23 C ATOM 1440 CD GLU A 88 1.097 -15.539 -8.326 1.00 11.14 C ATOM 1441 OE1 GLU A 88 0.588 -16.677 -8.196 1.00 3.12 O ATOM 1442 OE2 GLU A 88 1.327 -14.806 -7.336 1.00 62.33 O ATOM 0 H GLU A 88 1.581 -12.330 -10.645 1.00 61.43 H new ATOM 0 HA GLU A 88 1.151 -14.490 -12.443 1.00 13.01 H new ATOM 0 HB2 GLU A 88 -0.211 -13.659 -9.841 1.00 33.11 H new ATOM 0 HB3 GLU A 88 -0.498 -15.185 -10.653 1.00 33.11 H new ATOM 0 HG2 GLU A 88 1.841 -15.865 -10.321 1.00 64.23 H new ATOM 0 HG3 GLU A 88 2.245 -14.294 -9.658 1.00 64.23 H new ATOM 1449 N LEU A 89 -1.380 -12.336 -12.027 1.00 0.50 N ATOM 1450 CA LEU A 89 -2.646 -11.816 -12.576 1.00 21.21 C ATOM 1451 C LEU A 89 -2.440 -11.290 -14.009 1.00 54.13 C ATOM 1452 O LEU A 89 -3.211 -11.627 -14.887 1.00 24.11 O ATOM 1453 CB LEU A 89 -3.257 -10.705 -11.658 1.00 12.54 C ATOM 1454 CG LEU A 89 -3.706 -11.157 -10.224 1.00 64.11 C ATOM 1455 CD1 LEU A 89 -4.245 -9.957 -9.402 1.00 74.41 C ATOM 1456 CD2 LEU A 89 -4.741 -12.307 -10.297 1.00 11.24 C ATOM 0 H LEU A 89 -1.094 -11.872 -11.165 1.00 0.50 H new ATOM 0 HA LEU A 89 -3.357 -12.641 -12.610 1.00 21.21 H new ATOM 0 HB2 LEU A 89 -2.522 -9.907 -11.551 1.00 12.54 H new ATOM 0 HB3 LEU A 89 -4.120 -10.277 -12.168 1.00 12.54 H new ATOM 0 HG LEU A 89 -2.828 -11.541 -9.705 1.00 64.11 H new ATOM 0 HD11 LEU A 89 -4.549 -10.300 -8.413 1.00 74.41 H new ATOM 0 HD12 LEU A 89 -3.463 -9.205 -9.301 1.00 74.41 H new ATOM 0 HD13 LEU A 89 -5.103 -9.521 -9.914 1.00 74.41 H new ATOM 0 HD21 LEU A 89 -5.033 -12.598 -9.288 1.00 11.24 H new ATOM 0 HD22 LEU A 89 -5.620 -11.971 -10.846 1.00 11.24 H new ATOM 0 HD23 LEU A 89 -4.299 -13.162 -10.808 1.00 11.24 H new ATOM 1468 N SER A 90 -1.352 -10.527 -14.225 1.00 73.32 N ATOM 1469 CA SER A 90 -0.979 -9.979 -15.552 1.00 70.45 C ATOM 1470 C SER A 90 -0.801 -11.094 -16.597 1.00 53.14 C ATOM 1471 O SER A 90 -1.334 -11.009 -17.712 1.00 63.41 O ATOM 1472 CB SER A 90 0.331 -9.167 -15.435 1.00 25.31 C ATOM 1473 OG SER A 90 0.777 -8.675 -16.688 1.00 3.43 O ATOM 0 H SER A 90 -0.701 -10.270 -13.483 1.00 73.32 H new ATOM 0 HA SER A 90 -1.790 -9.331 -15.884 1.00 70.45 H new ATOM 0 HB2 SER A 90 0.177 -8.330 -14.754 1.00 25.31 H new ATOM 0 HB3 SER A 90 1.107 -9.796 -14.998 1.00 25.31 H new ATOM 0 HG SER A 90 1.606 -8.168 -16.564 1.00 3.43 H new ATOM 1479 N SER A 91 -0.065 -12.148 -16.206 1.00 13.51 N ATOM 1480 CA SER A 91 0.208 -13.305 -17.070 1.00 44.33 C ATOM 1481 C SER A 91 -1.101 -14.056 -17.420 1.00 73.22 C ATOM 1482 O SER A 91 -1.263 -14.540 -18.546 1.00 41.22 O ATOM 1483 CB SER A 91 1.224 -14.233 -16.371 1.00 32.24 C ATOM 1484 OG SER A 91 1.614 -15.311 -17.203 1.00 52.32 O ATOM 0 H SER A 91 0.357 -12.220 -15.280 1.00 13.51 H new ATOM 0 HA SER A 91 0.638 -12.960 -18.010 1.00 44.33 H new ATOM 0 HB2 SER A 91 2.105 -13.658 -16.086 1.00 32.24 H new ATOM 0 HB3 SER A 91 0.787 -14.623 -15.452 1.00 32.24 H new ATOM 0 HG SER A 91 2.258 -15.875 -16.727 1.00 52.32 H new ATOM 1490 N LEU A 92 -2.036 -14.118 -16.446 1.00 73.31 N ATOM 1491 CA LEU A 92 -3.360 -14.752 -16.627 1.00 74.32 C ATOM 1492 C LEU A 92 -4.250 -13.915 -17.577 1.00 44.53 C ATOM 1493 O LEU A 92 -4.893 -14.463 -18.480 1.00 33.31 O ATOM 1494 CB LEU A 92 -4.055 -14.945 -15.244 1.00 31.21 C ATOM 1495 CG LEU A 92 -3.302 -15.863 -14.221 1.00 33.51 C ATOM 1496 CD1 LEU A 92 -4.037 -15.914 -12.858 1.00 43.13 C ATOM 1497 CD2 LEU A 92 -3.067 -17.280 -14.801 1.00 45.20 C ATOM 0 H LEU A 92 -1.894 -13.730 -15.513 1.00 73.31 H new ATOM 0 HA LEU A 92 -3.215 -15.731 -17.084 1.00 74.32 H new ATOM 0 HB2 LEU A 92 -4.194 -13.964 -14.789 1.00 31.21 H new ATOM 0 HB3 LEU A 92 -5.048 -15.361 -15.413 1.00 31.21 H new ATOM 0 HG LEU A 92 -2.322 -15.421 -14.041 1.00 33.51 H new ATOM 0 HD11 LEU A 92 -3.488 -16.559 -12.172 1.00 43.13 H new ATOM 0 HD12 LEU A 92 -4.098 -14.909 -12.440 1.00 43.13 H new ATOM 0 HD13 LEU A 92 -5.043 -16.309 -13.001 1.00 43.13 H new ATOM 0 HD21 LEU A 92 -2.543 -17.891 -14.067 1.00 45.20 H new ATOM 0 HD22 LEU A 92 -4.026 -17.740 -15.038 1.00 45.20 H new ATOM 0 HD23 LEU A 92 -2.466 -17.207 -15.708 1.00 45.20 H new ATOM 1509 N ILE A 93 -4.224 -12.577 -17.375 1.00 33.53 N ATOM 1510 CA ILE A 93 -5.009 -11.594 -18.157 1.00 43.41 C ATOM 1511 C ILE A 93 -4.594 -11.643 -19.638 1.00 43.55 C ATOM 1512 O ILE A 93 -5.443 -11.612 -20.514 1.00 54.33 O ATOM 1513 CB ILE A 93 -4.827 -10.120 -17.586 1.00 74.42 C ATOM 1514 CG1 ILE A 93 -5.441 -9.986 -16.156 1.00 50.42 C ATOM 1515 CG2 ILE A 93 -5.429 -9.043 -18.523 1.00 65.23 C ATOM 1516 CD1 ILE A 93 -5.122 -8.676 -15.447 1.00 71.15 C ATOM 0 H ILE A 93 -3.648 -12.144 -16.653 1.00 33.53 H new ATOM 0 HA ILE A 93 -6.062 -11.860 -18.070 1.00 43.41 H new ATOM 0 HB ILE A 93 -3.753 -9.946 -17.528 1.00 74.42 H new ATOM 0 HG12 ILE A 93 -6.524 -10.090 -16.229 1.00 50.42 H new ATOM 0 HG13 ILE A 93 -5.082 -10.812 -15.542 1.00 50.42 H new ATOM 0 HG21 ILE A 93 -5.278 -8.056 -18.087 1.00 65.23 H new ATOM 0 HG22 ILE A 93 -4.937 -9.090 -19.494 1.00 65.23 H new ATOM 0 HG23 ILE A 93 -6.496 -9.225 -18.648 1.00 65.23 H new ATOM 0 HD11 ILE A 93 -5.589 -8.672 -14.462 1.00 71.15 H new ATOM 0 HD12 ILE A 93 -4.042 -8.575 -15.337 1.00 71.15 H new ATOM 0 HD13 ILE A 93 -5.506 -7.842 -16.034 1.00 71.15 H new ATOM 1528 N GLY A 94 -3.278 -11.779 -19.891 1.00 72.30 N ATOM 1529 CA GLY A 94 -2.744 -11.809 -21.260 1.00 72.21 C ATOM 1530 C GLY A 94 -3.267 -12.981 -22.096 1.00 41.10 C ATOM 1531 O GLY A 94 -3.352 -12.891 -23.324 1.00 43.14 O ATOM 0 H GLY A 94 -2.568 -11.870 -19.164 1.00 72.30 H new ATOM 0 HA2 GLY A 94 -2.998 -10.875 -21.761 1.00 72.21 H new ATOM 0 HA3 GLY A 94 -1.656 -11.862 -21.216 1.00 72.21 H new ATOM 1535 N GLN A 95 -3.633 -14.076 -21.409 1.00 73.40 N ATOM 1536 CA GLN A 95 -4.173 -15.293 -22.044 1.00 13.53 C ATOM 1537 C GLN A 95 -5.666 -15.120 -22.411 1.00 34.14 C ATOM 1538 O GLN A 95 -6.097 -15.501 -23.507 1.00 33.52 O ATOM 1539 CB GLN A 95 -3.992 -16.501 -21.081 1.00 44.24 C ATOM 1540 CG GLN A 95 -2.538 -16.768 -20.636 1.00 33.10 C ATOM 1541 CD GLN A 95 -1.593 -17.147 -21.787 1.00 70.44 C ATOM 1542 OE1 GLN A 95 -0.963 -16.289 -22.412 1.00 1.43 O ATOM 1543 NE2 GLN A 95 -1.496 -18.438 -22.076 1.00 43.31 N ATOM 0 H GLN A 95 -3.563 -14.144 -20.394 1.00 73.40 H new ATOM 0 HA GLN A 95 -3.624 -15.475 -22.968 1.00 13.53 H new ATOM 0 HB2 GLN A 95 -4.603 -16.334 -20.194 1.00 44.24 H new ATOM 0 HB3 GLN A 95 -4.377 -17.396 -21.569 1.00 44.24 H new ATOM 0 HG2 GLN A 95 -2.151 -15.878 -20.140 1.00 33.10 H new ATOM 0 HG3 GLN A 95 -2.536 -17.570 -19.898 1.00 33.10 H new ATOM 0 HE21 GLN A 95 -2.030 -19.122 -21.540 1.00 43.31 H new ATOM 0 HE22 GLN A 95 -0.887 -18.747 -22.834 1.00 43.31 H new ATOM 1552 N VAL A 96 -6.445 -14.521 -21.488 1.00 72.22 N ATOM 1553 CA VAL A 96 -7.928 -14.504 -21.565 1.00 74.53 C ATOM 1554 C VAL A 96 -8.510 -13.162 -22.071 1.00 54.43 C ATOM 1555 O VAL A 96 -9.681 -13.110 -22.469 1.00 3.35 O ATOM 1556 CB VAL A 96 -8.570 -14.900 -20.176 1.00 44.45 C ATOM 1557 CG1 VAL A 96 -8.322 -16.399 -19.871 1.00 34.22 C ATOM 1558 CG2 VAL A 96 -8.053 -14.001 -19.018 1.00 33.25 C ATOM 0 H VAL A 96 -6.071 -14.037 -20.672 1.00 72.22 H new ATOM 0 HA VAL A 96 -8.196 -15.252 -22.311 1.00 74.53 H new ATOM 0 HB VAL A 96 -9.645 -14.734 -20.251 1.00 44.45 H new ATOM 0 HG11 VAL A 96 -8.771 -16.654 -18.911 1.00 34.22 H new ATOM 0 HG12 VAL A 96 -8.771 -17.009 -20.655 1.00 34.22 H new ATOM 0 HG13 VAL A 96 -7.250 -16.590 -19.832 1.00 34.22 H new ATOM 0 HG21 VAL A 96 -8.520 -14.308 -18.082 1.00 33.25 H new ATOM 0 HG22 VAL A 96 -6.971 -14.103 -18.934 1.00 33.25 H new ATOM 0 HG23 VAL A 96 -8.305 -12.961 -19.225 1.00 33.25 H new ATOM 1568 N LEU A 97 -7.708 -12.090 -22.064 1.00 64.33 N ATOM 1569 CA LEU A 97 -8.142 -10.763 -22.568 1.00 70.31 C ATOM 1570 C LEU A 97 -7.841 -10.713 -24.070 1.00 60.13 C ATOM 1571 O LEU A 97 -6.675 -10.766 -24.488 1.00 65.13 O ATOM 1572 CB LEU A 97 -7.435 -9.576 -21.815 1.00 25.44 C ATOM 1573 CG LEU A 97 -8.176 -8.174 -21.796 1.00 75.21 C ATOM 1574 CD1 LEU A 97 -7.439 -7.157 -20.894 1.00 35.21 C ATOM 1575 CD2 LEU A 97 -8.403 -7.574 -23.200 1.00 74.11 C ATOM 0 H LEU A 97 -6.750 -12.107 -21.715 1.00 64.33 H new ATOM 0 HA LEU A 97 -9.209 -10.641 -22.384 1.00 70.31 H new ATOM 0 HB2 LEU A 97 -7.271 -9.883 -20.782 1.00 25.44 H new ATOM 0 HB3 LEU A 97 -6.453 -9.431 -22.264 1.00 25.44 H new ATOM 0 HG LEU A 97 -9.162 -8.375 -21.377 1.00 75.21 H new ATOM 0 HD11 LEU A 97 -7.974 -6.207 -20.904 1.00 35.21 H new ATOM 0 HD12 LEU A 97 -7.397 -7.539 -19.874 1.00 35.21 H new ATOM 0 HD13 LEU A 97 -6.426 -7.007 -21.267 1.00 35.21 H new ATOM 0 HD21 LEU A 97 -8.914 -6.616 -23.108 1.00 74.11 H new ATOM 0 HD22 LEU A 97 -7.442 -7.426 -23.692 1.00 74.11 H new ATOM 0 HD23 LEU A 97 -9.013 -8.256 -23.793 1.00 74.11 H new ATOM 1587 N PHE A 98 -8.904 -10.616 -24.868 1.00 23.12 N ATOM 1588 CA PHE A 98 -8.812 -10.433 -26.315 1.00 12.23 C ATOM 1589 C PHE A 98 -9.360 -9.046 -26.655 1.00 15.15 C ATOM 1590 O PHE A 98 -10.531 -8.748 -26.384 1.00 72.23 O ATOM 1591 CB PHE A 98 -9.590 -11.541 -27.060 1.00 52.43 C ATOM 1592 CG PHE A 98 -9.167 -12.947 -26.651 1.00 31.44 C ATOM 1593 CD1 PHE A 98 -7.962 -13.487 -27.095 1.00 31.55 C ATOM 1594 CD2 PHE A 98 -9.971 -13.722 -25.817 1.00 32.31 C ATOM 1595 CE1 PHE A 98 -7.576 -14.756 -26.712 1.00 33.35 C ATOM 1596 CE2 PHE A 98 -9.580 -14.988 -25.439 1.00 5.44 C ATOM 1597 CZ PHE A 98 -8.388 -15.507 -25.889 1.00 31.22 C ATOM 0 H PHE A 98 -9.863 -10.663 -24.524 1.00 23.12 H new ATOM 0 HA PHE A 98 -7.773 -10.506 -26.636 1.00 12.23 H new ATOM 0 HB2 PHE A 98 -10.656 -11.419 -26.869 1.00 52.43 H new ATOM 0 HB3 PHE A 98 -9.442 -11.421 -28.133 1.00 52.43 H new ATOM 0 HD1 PHE A 98 -7.324 -12.907 -27.745 1.00 31.55 H new ATOM 0 HD2 PHE A 98 -10.911 -13.326 -25.463 1.00 32.31 H new ATOM 0 HE1 PHE A 98 -6.636 -15.161 -27.058 1.00 33.35 H new ATOM 0 HE2 PHE A 98 -10.211 -15.575 -24.788 1.00 5.44 H new ATOM 0 HZ PHE A 98 -8.088 -16.503 -25.598 1.00 31.22 H new ATOM 1607 N GLN A 99 -8.491 -8.204 -27.211 1.00 45.03 N ATOM 1608 CA GLN A 99 -8.831 -6.838 -27.654 1.00 72.24 C ATOM 1609 C GLN A 99 -8.260 -6.575 -29.055 1.00 60.24 C ATOM 1610 O GLN A 99 -8.331 -5.453 -29.554 1.00 11.24 O ATOM 1611 CB GLN A 99 -8.327 -5.798 -26.603 1.00 13.04 C ATOM 1612 CG GLN A 99 -6.887 -6.022 -26.054 1.00 21.22 C ATOM 1613 CD GLN A 99 -5.727 -5.759 -27.016 1.00 22.10 C ATOM 1614 OE1 GLN A 99 -4.686 -6.405 -26.930 1.00 11.21 O ATOM 1615 NE2 GLN A 99 -5.879 -4.806 -27.922 1.00 70.23 N ATOM 0 H GLN A 99 -7.514 -8.448 -27.372 1.00 45.03 H new ATOM 0 HA GLN A 99 -9.914 -6.734 -27.725 1.00 72.24 H new ATOM 0 HB2 GLN A 99 -8.372 -4.806 -27.053 1.00 13.04 H new ATOM 0 HB3 GLN A 99 -9.019 -5.798 -25.761 1.00 13.04 H new ATOM 0 HG2 GLN A 99 -6.754 -5.383 -25.181 1.00 21.22 H new ATOM 0 HG3 GLN A 99 -6.813 -7.053 -25.708 1.00 21.22 H new ATOM 0 HE21 GLN A 99 -6.754 -4.285 -27.972 1.00 70.23 H new ATOM 0 HE22 GLN A 99 -5.121 -4.593 -28.570 1.00 70.23 H new ATOM 1624 N GLY A 100 -7.707 -7.633 -29.673 1.00 54.15 N ATOM 1625 CA GLY A 100 -7.097 -7.561 -30.993 1.00 31.45 C ATOM 1626 C GLY A 100 -6.267 -8.809 -31.268 1.00 1.23 C ATOM 1627 O GLY A 100 -6.727 -9.697 -31.991 1.00 50.44 O ATOM 0 H GLY A 100 -7.675 -8.565 -29.259 1.00 54.15 H new ATOM 0 HA2 GLY A 100 -7.872 -7.458 -31.753 1.00 31.45 H new ATOM 0 HA3 GLY A 100 -6.465 -6.675 -31.060 1.00 31.45 H new ATOM 1631 N PRO A 101 -5.031 -8.918 -30.668 1.00 34.10 N ATOM 1632 CA PRO A 101 -4.167 -10.122 -30.787 1.00 13.14 C ATOM 1633 C PRO A 101 -4.841 -11.398 -30.221 1.00 71.21 C ATOM 1634 O PRO A 101 -5.702 -11.311 -29.325 1.00 51.11 O ATOM 1635 CB PRO A 101 -2.896 -9.744 -29.972 1.00 4.22 C ATOM 1636 CG PRO A 101 -2.907 -8.248 -29.926 1.00 32.42 C ATOM 1637 CD PRO A 101 -4.367 -7.868 -29.844 1.00 35.22 C ATOM 0 HA PRO A 101 -3.953 -10.368 -31.827 1.00 13.14 H new ATOM 0 HB2 PRO A 101 -2.926 -10.171 -28.970 1.00 4.22 H new ATOM 0 HB3 PRO A 101 -1.992 -10.119 -30.451 1.00 4.22 H new ATOM 0 HG2 PRO A 101 -2.354 -7.876 -29.064 1.00 32.42 H new ATOM 0 HG3 PRO A 101 -2.438 -7.823 -30.813 1.00 32.42 H new ATOM 0 HD2 PRO A 101 -4.729 -7.873 -28.816 1.00 35.22 H new ATOM 0 HD3 PRO A 101 -4.547 -6.869 -30.241 1.00 35.22 H new ATOM 1645 N SER A 102 -4.434 -12.565 -30.773 1.00 11.40 N ATOM 1646 CA SER A 102 -5.000 -13.899 -30.453 1.00 4.41 C ATOM 1647 C SER A 102 -6.501 -14.003 -30.821 1.00 61.34 C ATOM 1648 O SER A 102 -7.214 -14.890 -30.329 1.00 33.14 O ATOM 1649 CB SER A 102 -4.741 -14.277 -28.969 1.00 20.40 C ATOM 1650 OG SER A 102 -3.356 -14.357 -28.689 1.00 40.30 O ATOM 0 H SER A 102 -3.688 -12.608 -31.467 1.00 11.40 H new ATOM 0 HA SER A 102 -4.479 -14.627 -31.075 1.00 4.41 H new ATOM 0 HB2 SER A 102 -5.203 -13.535 -28.317 1.00 20.40 H new ATOM 0 HB3 SER A 102 -5.214 -15.234 -28.748 1.00 20.40 H new ATOM 0 HG SER A 102 -3.226 -14.595 -27.747 1.00 40.30 H new ATOM 1656 N ALA A 103 -6.952 -13.124 -31.735 1.00 32.33 N ATOM 1657 CA ALA A 103 -8.340 -13.093 -32.216 1.00 33.54 C ATOM 1658 C ALA A 103 -8.360 -12.665 -33.689 1.00 72.32 C ATOM 1659 O ALA A 103 -7.751 -11.646 -34.047 1.00 21.25 O ATOM 1660 CB ALA A 103 -9.182 -12.136 -31.354 1.00 55.04 C ATOM 0 H ALA A 103 -6.358 -12.413 -32.161 1.00 32.33 H new ATOM 0 HA ALA A 103 -8.775 -14.089 -32.134 1.00 33.54 H new ATOM 0 HB1 ALA A 103 -10.208 -12.123 -31.722 1.00 55.04 H new ATOM 0 HB2 ALA A 103 -9.172 -12.475 -30.318 1.00 55.04 H new ATOM 0 HB3 ALA A 103 -8.763 -11.131 -31.411 1.00 55.04 H new ATOM 1666 N GLY A 104 -9.037 -13.468 -34.535 1.00 61.13 N ATOM 1667 CA GLY A 104 -9.168 -13.172 -35.967 1.00 4.14 C ATOM 1668 C GLY A 104 -10.004 -11.920 -36.232 1.00 41.24 C ATOM 1669 O GLY A 104 -9.682 -11.126 -37.121 1.00 62.31 O ATOM 0 H GLY A 104 -9.501 -14.329 -34.245 1.00 61.13 H new ATOM 0 HA2 GLY A 104 -8.176 -13.041 -36.400 1.00 4.14 H new ATOM 0 HA3 GLY A 104 -9.626 -14.024 -36.470 1.00 4.14 H new ATOM 1673 N LEU A 105 -11.086 -11.758 -35.444 1.00 75.43 N ATOM 1674 CA LEU A 105 -11.935 -10.547 -35.446 1.00 14.50 C ATOM 1675 C LEU A 105 -11.323 -9.439 -34.554 1.00 45.12 C ATOM 1676 O LEU A 105 -10.260 -9.634 -33.951 1.00 61.33 O ATOM 1677 CB LEU A 105 -13.410 -10.915 -35.025 1.00 44.15 C ATOM 1678 CG LEU A 105 -13.626 -11.862 -33.776 1.00 33.13 C ATOM 1679 CD1 LEU A 105 -13.167 -11.227 -32.443 1.00 34.31 C ATOM 1680 CD2 LEU A 105 -15.106 -12.319 -33.684 1.00 22.13 C ATOM 0 H LEU A 105 -11.399 -12.469 -34.783 1.00 75.43 H new ATOM 0 HA LEU A 105 -11.976 -10.144 -36.458 1.00 14.50 H new ATOM 0 HB2 LEU A 105 -13.941 -9.983 -34.830 1.00 44.15 H new ATOM 0 HB3 LEU A 105 -13.892 -11.383 -35.883 1.00 44.15 H new ATOM 0 HG LEU A 105 -12.991 -12.733 -33.937 1.00 33.13 H new ATOM 0 HD11 LEU A 105 -13.342 -11.928 -31.627 1.00 34.31 H new ATOM 0 HD12 LEU A 105 -12.104 -10.993 -32.498 1.00 34.31 H new ATOM 0 HD13 LEU A 105 -13.731 -10.312 -32.263 1.00 34.31 H new ATOM 0 HD21 LEU A 105 -15.233 -12.969 -32.818 1.00 22.13 H new ATOM 0 HD22 LEU A 105 -15.751 -11.446 -33.580 1.00 22.13 H new ATOM 0 HD23 LEU A 105 -15.376 -12.863 -34.589 1.00 22.13 H new ATOM 1692 N VAL A 106 -11.995 -8.272 -34.496 1.00 32.24 N ATOM 1693 CA VAL A 106 -11.621 -7.149 -33.612 1.00 31.11 C ATOM 1694 C VAL A 106 -12.562 -7.166 -32.372 1.00 34.41 C ATOM 1695 O VAL A 106 -13.716 -6.740 -32.474 1.00 30.34 O ATOM 1696 CB VAL A 106 -11.727 -5.758 -34.362 1.00 64.42 C ATOM 1697 CG1 VAL A 106 -11.213 -4.595 -33.478 1.00 43.42 C ATOM 1698 CG2 VAL A 106 -10.992 -5.788 -35.727 1.00 40.51 C ATOM 0 H VAL A 106 -12.819 -8.080 -35.066 1.00 32.24 H new ATOM 0 HA VAL A 106 -10.583 -7.269 -33.303 1.00 31.11 H new ATOM 0 HB VAL A 106 -12.784 -5.580 -34.561 1.00 64.42 H new ATOM 0 HG11 VAL A 106 -11.301 -3.656 -34.025 1.00 43.42 H new ATOM 0 HG12 VAL A 106 -11.808 -4.541 -32.566 1.00 43.42 H new ATOM 0 HG13 VAL A 106 -10.168 -4.768 -33.220 1.00 43.42 H new ATOM 0 HG21 VAL A 106 -11.086 -4.817 -36.212 1.00 40.51 H new ATOM 0 HG22 VAL A 106 -9.937 -6.013 -35.568 1.00 40.51 H new ATOM 0 HG23 VAL A 106 -11.435 -6.555 -36.362 1.00 40.51 H new ATOM 1708 N PRO A 107 -12.109 -7.720 -31.200 1.00 11.22 N ATOM 1709 CA PRO A 107 -12.906 -7.774 -29.951 1.00 51.45 C ATOM 1710 C PRO A 107 -12.574 -6.629 -28.967 1.00 1.11 C ATOM 1711 O PRO A 107 -12.727 -6.792 -27.747 1.00 1.01 O ATOM 1712 CB PRO A 107 -12.489 -9.154 -29.398 1.00 54.10 C ATOM 1713 CG PRO A 107 -11.046 -9.325 -29.814 1.00 53.41 C ATOM 1714 CD PRO A 107 -10.799 -8.387 -30.992 1.00 32.14 C ATOM 0 HA PRO A 107 -13.977 -7.652 -30.111 1.00 51.45 H new ATOM 0 HB2 PRO A 107 -12.594 -9.192 -28.314 1.00 54.10 H new ATOM 0 HB3 PRO A 107 -13.114 -9.948 -29.807 1.00 54.10 H new ATOM 0 HG2 PRO A 107 -10.377 -9.088 -28.987 1.00 53.41 H new ATOM 0 HG3 PRO A 107 -10.848 -10.359 -30.098 1.00 53.41 H new ATOM 0 HD2 PRO A 107 -10.014 -7.664 -30.769 1.00 32.14 H new ATOM 0 HD3 PRO A 107 -10.485 -8.935 -31.880 1.00 32.14 H new ATOM 1722 N ARG A 108 -12.133 -5.471 -29.505 1.00 30.01 N ATOM 1723 CA ARG A 108 -11.805 -4.275 -28.700 1.00 3.02 C ATOM 1724 C ARG A 108 -13.105 -3.581 -28.233 1.00 45.43 C ATOM 1725 O ARG A 108 -13.602 -2.636 -28.867 1.00 22.12 O ATOM 1726 CB ARG A 108 -10.881 -3.317 -29.513 1.00 1.13 C ATOM 1727 CG ARG A 108 -10.500 -1.985 -28.815 1.00 24.15 C ATOM 1728 CD ARG A 108 -9.530 -1.124 -29.652 1.00 65.10 C ATOM 1729 NE ARG A 108 -10.014 -0.919 -31.026 1.00 53.20 N ATOM 1730 CZ ARG A 108 -9.258 -0.587 -32.085 1.00 22.13 C ATOM 1731 NH1 ARG A 108 -7.944 -0.387 -31.968 1.00 31.12 N ATOM 1732 NH2 ARG A 108 -9.828 -0.498 -33.278 1.00 72.33 N ATOM 0 H ARG A 108 -11.995 -5.340 -30.507 1.00 30.01 H new ATOM 0 HA ARG A 108 -11.255 -4.572 -27.807 1.00 3.02 H new ATOM 0 HB2 ARG A 108 -9.963 -3.851 -29.758 1.00 1.13 H new ATOM 0 HB3 ARG A 108 -11.375 -3.082 -30.456 1.00 1.13 H new ATOM 0 HG2 ARG A 108 -11.406 -1.413 -28.616 1.00 24.15 H new ATOM 0 HG3 ARG A 108 -10.043 -2.204 -27.850 1.00 24.15 H new ATOM 0 HD2 ARG A 108 -9.395 -0.157 -29.168 1.00 65.10 H new ATOM 0 HD3 ARG A 108 -8.552 -1.605 -29.681 1.00 65.10 H new ATOM 0 HE ARG A 108 -11.014 -1.040 -31.189 1.00 53.20 H new ATOM 0 HH11 ARG A 108 -7.492 -0.486 -31.059 1.00 31.12 H new ATOM 0 HH12 ARG A 108 -7.391 -0.136 -32.788 1.00 31.12 H new ATOM 0 HH21 ARG A 108 -10.826 -0.681 -33.381 1.00 72.33 H new ATOM 0 HH22 ARG A 108 -9.269 -0.247 -34.093 1.00 72.33 H new ATOM 1746 N GLY A 109 -13.681 -4.119 -27.148 1.00 53.15 N ATOM 1747 CA GLY A 109 -14.880 -3.569 -26.516 1.00 73.50 C ATOM 1748 C GLY A 109 -14.598 -3.181 -25.083 1.00 21.25 C ATOM 1749 O GLY A 109 -15.220 -3.708 -24.148 1.00 4.33 O ATOM 0 H GLY A 109 -13.322 -4.954 -26.684 1.00 53.15 H new ATOM 0 HA2 GLY A 109 -15.224 -2.697 -27.073 1.00 73.50 H new ATOM 0 HA3 GLY A 109 -15.684 -4.305 -26.547 1.00 73.50 H new ATOM 1753 N SER A 110 -13.637 -2.252 -24.925 1.00 13.41 N ATOM 1754 CA SER A 110 -13.163 -1.767 -23.624 1.00 0.31 C ATOM 1755 C SER A 110 -14.252 -0.915 -22.932 1.00 33.24 C ATOM 1756 O SER A 110 -14.234 0.323 -22.984 1.00 24.02 O ATOM 1757 CB SER A 110 -11.857 -0.968 -23.842 1.00 53.24 C ATOM 1758 OG SER A 110 -10.937 -1.701 -24.641 1.00 54.44 O ATOM 0 H SER A 110 -13.163 -1.813 -25.714 1.00 13.41 H new ATOM 0 HA SER A 110 -12.954 -2.608 -22.962 1.00 0.31 H new ATOM 0 HB2 SER A 110 -12.085 -0.017 -24.324 1.00 53.24 H new ATOM 0 HB3 SER A 110 -11.403 -0.737 -22.878 1.00 53.24 H new ATOM 0 HG SER A 110 -10.120 -1.174 -24.766 1.00 54.44 H new ATOM 1764 N GLY A 111 -15.219 -1.610 -22.322 1.00 40.30 N ATOM 1765 CA GLY A 111 -16.382 -0.978 -21.715 1.00 60.00 C ATOM 1766 C GLY A 111 -17.400 -2.007 -21.244 1.00 14.22 C ATOM 1767 O GLY A 111 -17.955 -1.890 -20.145 1.00 73.40 O ATOM 0 H GLY A 111 -15.211 -2.627 -22.239 1.00 40.30 H new ATOM 0 HA2 GLY A 111 -16.065 -0.367 -20.870 1.00 60.00 H new ATOM 0 HA3 GLY A 111 -16.849 -0.307 -22.436 1.00 60.00 H new ATOM 1771 N GLY A 112 -17.624 -3.036 -22.085 1.00 62.34 N ATOM 1772 CA GLY A 112 -18.600 -4.083 -21.796 1.00 20.14 C ATOM 1773 C GLY A 112 -18.644 -5.155 -22.882 1.00 2.54 C ATOM 1774 O GLY A 112 -19.442 -5.065 -23.824 1.00 62.35 O ATOM 0 H GLY A 112 -17.135 -3.156 -22.972 1.00 62.34 H new ATOM 0 HA2 GLY A 112 -18.358 -4.548 -20.840 1.00 20.14 H new ATOM 0 HA3 GLY A 112 -19.588 -3.635 -21.691 1.00 20.14 H new ATOM 1778 N ILE A 113 -17.765 -6.158 -22.749 1.00 20.54 N ATOM 1779 CA ILE A 113 -17.739 -7.352 -23.618 1.00 43.02 C ATOM 1780 C ILE A 113 -18.961 -8.266 -23.272 1.00 71.15 C ATOM 1781 O ILE A 113 -19.551 -8.139 -22.190 1.00 25.42 O ATOM 1782 CB ILE A 113 -16.364 -8.131 -23.418 1.00 21.45 C ATOM 1783 CG1 ILE A 113 -15.136 -7.167 -23.571 1.00 70.23 C ATOM 1784 CG2 ILE A 113 -16.230 -9.333 -24.383 1.00 10.31 C ATOM 1785 CD1 ILE A 113 -13.784 -7.777 -23.201 1.00 13.13 C ATOM 0 H ILE A 113 -17.043 -6.167 -22.029 1.00 20.54 H new ATOM 0 HA ILE A 113 -17.811 -7.056 -24.664 1.00 43.02 H new ATOM 0 HB ILE A 113 -16.372 -8.523 -22.401 1.00 21.45 H new ATOM 0 HG12 ILE A 113 -15.091 -6.822 -24.604 1.00 70.23 H new ATOM 0 HG13 ILE A 113 -15.304 -6.288 -22.948 1.00 70.23 H new ATOM 0 HG21 ILE A 113 -15.277 -9.834 -24.210 1.00 10.31 H new ATOM 0 HG22 ILE A 113 -17.046 -10.034 -24.206 1.00 10.31 H new ATOM 0 HG23 ILE A 113 -16.272 -8.979 -25.413 1.00 10.31 H new ATOM 0 HD11 ILE A 113 -12.999 -7.033 -23.340 1.00 13.13 H new ATOM 0 HD12 ILE A 113 -13.802 -8.096 -22.159 1.00 13.13 H new ATOM 0 HD13 ILE A 113 -13.586 -8.637 -23.840 1.00 13.13 H new ATOM 1797 N GLU A 114 -19.361 -9.154 -24.196 1.00 21.00 N ATOM 1798 CA GLU A 114 -20.451 -10.134 -23.960 1.00 12.53 C ATOM 1799 C GLU A 114 -19.861 -11.481 -23.505 1.00 52.33 C ATOM 1800 O GLU A 114 -18.683 -11.756 -23.747 1.00 21.02 O ATOM 1801 CB GLU A 114 -21.336 -10.317 -25.236 1.00 34.14 C ATOM 1802 CG GLU A 114 -20.665 -11.004 -26.455 1.00 2.30 C ATOM 1803 CD GLU A 114 -19.595 -10.148 -27.158 1.00 51.14 C ATOM 1804 OE1 GLU A 114 -19.963 -9.301 -27.997 1.00 75.32 O ATOM 1805 OE2 GLU A 114 -18.389 -10.300 -26.859 1.00 22.11 O ATOM 0 H GLU A 114 -18.945 -9.219 -25.125 1.00 21.00 H new ATOM 0 HA GLU A 114 -21.093 -9.747 -23.169 1.00 12.53 H new ATOM 0 HB2 GLU A 114 -22.216 -10.898 -24.960 1.00 34.14 H new ATOM 0 HB3 GLU A 114 -21.688 -9.334 -25.550 1.00 34.14 H new ATOM 0 HG2 GLU A 114 -20.207 -11.937 -26.125 1.00 2.30 H new ATOM 0 HG3 GLU A 114 -21.436 -11.266 -27.179 1.00 2.30 H new ATOM 1812 N GLY A 115 -20.685 -12.306 -22.835 1.00 2.34 N ATOM 1813 CA GLY A 115 -20.271 -13.647 -22.396 1.00 2.24 C ATOM 1814 C GLY A 115 -19.549 -13.642 -21.042 1.00 10.03 C ATOM 1815 O GLY A 115 -19.367 -12.579 -20.424 1.00 40.53 O ATOM 0 H GLY A 115 -21.644 -12.065 -22.586 1.00 2.34 H new ATOM 0 HA2 GLY A 115 -21.150 -14.288 -22.330 1.00 2.24 H new ATOM 0 HA3 GLY A 115 -19.615 -14.083 -23.149 1.00 2.24 H new ATOM 1819 N SER A 428 -19.136 -14.846 -20.589 1.00 1.31 N ATOM 1820 CA SER A 428 -18.423 -15.044 -19.305 1.00 31.54 C ATOM 1821 C SER A 428 -16.968 -14.525 -19.379 1.00 65.34 C ATOM 1822 O SER A 428 -16.351 -14.274 -18.334 1.00 64.42 O ATOM 1823 CB SER A 428 -18.450 -16.543 -18.904 1.00 44.05 C ATOM 1824 OG SER A 428 -17.900 -16.764 -17.609 1.00 31.32 O ATOM 0 H SER A 428 -19.288 -15.713 -21.105 1.00 1.31 H new ATOM 0 HA SER A 428 -18.939 -14.464 -18.540 1.00 31.54 H new ATOM 0 HB2 SER A 428 -19.478 -16.905 -18.927 1.00 44.05 H new ATOM 0 HB3 SER A 428 -17.891 -17.124 -19.638 1.00 44.05 H new ATOM 0 HG SER A 428 -17.938 -17.720 -17.396 1.00 31.32 H new ATOM 1830 N ILE A 429 -16.442 -14.368 -20.625 1.00 42.00 N ATOM 1831 CA ILE A 429 -15.101 -13.798 -20.888 1.00 40.22 C ATOM 1832 C ILE A 429 -14.974 -12.404 -20.255 1.00 11.32 C ATOM 1833 O ILE A 429 -13.978 -12.118 -19.596 1.00 72.20 O ATOM 1834 CB ILE A 429 -14.769 -13.763 -22.445 1.00 30.13 C ATOM 1835 CG1 ILE A 429 -13.347 -13.148 -22.799 1.00 32.41 C ATOM 1836 CG2 ILE A 429 -15.883 -13.074 -23.254 1.00 43.33 C ATOM 1837 CD1 ILE A 429 -13.254 -11.627 -22.997 1.00 64.10 C ATOM 0 H ILE A 429 -16.941 -14.635 -21.473 1.00 42.00 H new ATOM 0 HA ILE A 429 -14.363 -14.451 -20.422 1.00 40.22 H new ATOM 0 HB ILE A 429 -14.721 -14.811 -22.741 1.00 30.13 H new ATOM 0 HG12 ILE A 429 -12.655 -13.425 -22.004 1.00 32.41 H new ATOM 0 HG13 ILE A 429 -12.993 -13.627 -23.712 1.00 32.41 H new ATOM 0 HG21 ILE A 429 -15.617 -13.072 -24.311 1.00 43.33 H new ATOM 0 HG22 ILE A 429 -16.820 -13.614 -23.117 1.00 43.33 H new ATOM 0 HG23 ILE A 429 -16.002 -12.047 -22.908 1.00 43.33 H new ATOM 0 HD11 ILE A 429 -12.226 -11.353 -23.233 1.00 64.10 H new ATOM 0 HD12 ILE A 429 -13.907 -11.326 -23.816 1.00 64.10 H new ATOM 0 HD13 ILE A 429 -13.564 -11.121 -22.082 1.00 64.10 H new ATOM 1849 N ASP A 430 -16.016 -11.570 -20.437 1.00 63.11 N ATOM 1850 CA ASP A 430 -16.058 -10.200 -19.908 1.00 1.03 C ATOM 1851 C ASP A 430 -15.835 -10.182 -18.397 1.00 15.30 C ATOM 1852 O ASP A 430 -14.930 -9.512 -17.908 1.00 21.22 O ATOM 1853 CB ASP A 430 -17.418 -9.548 -20.224 1.00 21.53 C ATOM 1854 CG ASP A 430 -17.569 -8.135 -19.614 1.00 74.14 C ATOM 1855 OD1 ASP A 430 -16.913 -7.188 -20.106 1.00 13.45 O ATOM 1856 OD2 ASP A 430 -18.351 -7.962 -18.653 1.00 13.54 O ATOM 0 H ASP A 430 -16.853 -11.832 -20.957 1.00 63.11 H new ATOM 0 HA ASP A 430 -15.257 -9.637 -20.388 1.00 1.03 H new ATOM 0 HB2 ASP A 430 -17.542 -9.486 -21.305 1.00 21.53 H new ATOM 0 HB3 ASP A 430 -18.217 -10.187 -19.848 1.00 21.53 H new ATOM 1861 N GLU A 431 -16.664 -10.973 -17.698 1.00 10.10 N ATOM 1862 CA GLU A 431 -16.724 -10.996 -16.238 1.00 11.14 C ATOM 1863 C GLU A 431 -15.400 -11.483 -15.627 1.00 43.25 C ATOM 1864 O GLU A 431 -14.818 -10.779 -14.797 1.00 2.00 O ATOM 1865 CB GLU A 431 -17.909 -11.883 -15.789 1.00 11.43 C ATOM 1866 CG GLU A 431 -19.294 -11.376 -16.268 1.00 34.20 C ATOM 1867 CD GLU A 431 -20.471 -12.254 -15.804 1.00 1.24 C ATOM 1868 OE1 GLU A 431 -20.440 -12.752 -14.654 1.00 35.32 O ATOM 1869 OE2 GLU A 431 -21.445 -12.432 -16.572 1.00 41.23 O ATOM 0 H GLU A 431 -17.317 -11.620 -18.141 1.00 10.10 H new ATOM 0 HA GLU A 431 -16.882 -9.980 -15.876 1.00 11.14 H new ATOM 0 HB2 GLU A 431 -17.754 -12.895 -16.164 1.00 11.43 H new ATOM 0 HB3 GLU A 431 -17.912 -11.943 -14.701 1.00 11.43 H new ATOM 0 HG2 GLU A 431 -19.445 -10.360 -15.903 1.00 34.20 H new ATOM 0 HG3 GLU A 431 -19.296 -11.327 -17.357 1.00 34.20 H new ATOM 1876 N THR A 432 -14.909 -12.659 -16.081 1.00 51.01 N ATOM 1877 CA THR A 432 -13.686 -13.274 -15.529 1.00 74.21 C ATOM 1878 C THR A 432 -12.461 -12.343 -15.709 1.00 72.21 C ATOM 1879 O THR A 432 -11.751 -12.057 -14.733 1.00 71.53 O ATOM 1880 CB THR A 432 -13.412 -14.710 -16.123 1.00 24.41 C ATOM 1881 OG1 THR A 432 -12.279 -15.310 -15.470 1.00 72.24 O ATOM 1882 CG2 THR A 432 -13.164 -14.704 -17.637 1.00 10.33 C ATOM 0 H THR A 432 -15.344 -13.199 -16.829 1.00 51.01 H new ATOM 0 HA THR A 432 -13.854 -13.407 -14.460 1.00 74.21 H new ATOM 0 HB THR A 432 -14.317 -15.290 -15.940 1.00 24.41 H new ATOM 0 HG1 THR A 432 -12.119 -16.201 -15.845 1.00 72.24 H new ATOM 0 HG21 THR A 432 -12.982 -15.723 -17.980 1.00 10.33 H new ATOM 0 HG22 THR A 432 -14.038 -14.300 -18.147 1.00 10.33 H new ATOM 0 HG23 THR A 432 -12.295 -14.085 -17.861 1.00 10.33 H new ATOM 1890 N VAL A 433 -12.284 -11.799 -16.934 1.00 43.04 N ATOM 1891 CA VAL A 433 -11.168 -10.900 -17.262 1.00 2.33 C ATOM 1892 C VAL A 433 -11.259 -9.607 -16.443 1.00 62.45 C ATOM 1893 O VAL A 433 -10.259 -9.149 -15.901 1.00 33.40 O ATOM 1894 CB VAL A 433 -11.141 -10.553 -18.795 1.00 25.30 C ATOM 1895 CG1 VAL A 433 -10.066 -9.497 -19.128 1.00 63.41 C ATOM 1896 CG2 VAL A 433 -10.942 -11.822 -19.649 1.00 1.54 C ATOM 0 H VAL A 433 -12.913 -11.974 -17.718 1.00 43.04 H new ATOM 0 HA VAL A 433 -10.244 -11.422 -17.011 1.00 2.33 H new ATOM 0 HB VAL A 433 -12.111 -10.122 -19.042 1.00 25.30 H new ATOM 0 HG11 VAL A 433 -10.082 -9.287 -20.197 1.00 63.41 H new ATOM 0 HG12 VAL A 433 -10.272 -8.581 -18.575 1.00 63.41 H new ATOM 0 HG13 VAL A 433 -9.084 -9.877 -18.847 1.00 63.41 H new ATOM 0 HG21 VAL A 433 -10.927 -11.551 -20.705 1.00 1.54 H new ATOM 0 HG22 VAL A 433 -9.997 -12.295 -19.383 1.00 1.54 H new ATOM 0 HG23 VAL A 433 -11.761 -12.517 -19.464 1.00 1.54 H new ATOM 1906 N ALA A 434 -12.478 -9.047 -16.351 1.00 42.01 N ATOM 1907 CA ALA A 434 -12.740 -7.803 -15.613 1.00 20.12 C ATOM 1908 C ALA A 434 -12.422 -7.942 -14.118 1.00 15.21 C ATOM 1909 O ALA A 434 -12.031 -6.965 -13.487 1.00 12.14 O ATOM 1910 CB ALA A 434 -14.192 -7.362 -15.806 1.00 63.15 C ATOM 0 H ALA A 434 -13.309 -9.446 -16.787 1.00 42.01 H new ATOM 0 HA ALA A 434 -12.077 -7.040 -16.020 1.00 20.12 H new ATOM 0 HB1 ALA A 434 -14.369 -6.440 -15.253 1.00 63.15 H new ATOM 0 HB2 ALA A 434 -14.383 -7.192 -16.866 1.00 63.15 H new ATOM 0 HB3 ALA A 434 -14.861 -8.140 -15.437 1.00 63.15 H new ATOM 1916 N ARG A 435 -12.607 -9.157 -13.558 1.00 5.12 N ATOM 1917 CA ARG A 435 -12.305 -9.432 -12.138 1.00 2.52 C ATOM 1918 C ARG A 435 -10.781 -9.469 -11.909 1.00 51.15 C ATOM 1919 O ARG A 435 -10.285 -8.880 -10.946 1.00 74.54 O ATOM 1920 CB ARG A 435 -12.961 -10.758 -11.659 1.00 61.43 C ATOM 1921 CG ARG A 435 -14.514 -10.784 -11.676 1.00 13.43 C ATOM 1922 CD ARG A 435 -15.156 -9.597 -10.931 1.00 72.41 C ATOM 1923 NE ARG A 435 -16.627 -9.712 -10.836 1.00 12.13 N ATOM 1924 CZ ARG A 435 -17.528 -8.850 -11.342 1.00 44.00 C ATOM 1925 NH1 ARG A 435 -17.150 -7.757 -12.006 1.00 52.33 N ATOM 1926 NH2 ARG A 435 -18.816 -9.082 -11.150 1.00 35.40 N ATOM 0 H ARG A 435 -12.965 -9.964 -14.069 1.00 5.12 H new ATOM 0 HA ARG A 435 -12.730 -8.622 -11.546 1.00 2.52 H new ATOM 0 HB2 ARG A 435 -12.595 -11.571 -12.287 1.00 61.43 H new ATOM 0 HB3 ARG A 435 -12.623 -10.963 -10.643 1.00 61.43 H new ATOM 0 HG2 ARG A 435 -14.858 -10.783 -12.710 1.00 13.43 H new ATOM 0 HG3 ARG A 435 -14.859 -11.715 -11.226 1.00 13.43 H new ATOM 0 HD2 ARG A 435 -14.735 -9.532 -9.928 1.00 72.41 H new ATOM 0 HD3 ARG A 435 -14.900 -8.670 -11.444 1.00 72.41 H new ATOM 0 HE ARG A 435 -16.994 -10.523 -10.339 1.00 12.13 H new ATOM 0 HH11 ARG A 435 -16.158 -7.559 -12.140 1.00 52.33 H new ATOM 0 HH12 ARG A 435 -17.852 -7.119 -12.380 1.00 52.33 H new ATOM 0 HH21 ARG A 435 -19.113 -9.904 -10.625 1.00 35.40 H new ATOM 0 HH22 ARG A 435 -19.512 -8.438 -11.527 1.00 35.40 H new ATOM 1940 N TYR A 436 -10.048 -10.155 -12.815 1.00 43.33 N ATOM 1941 CA TYR A 436 -8.567 -10.195 -12.773 1.00 43.15 C ATOM 1942 C TYR A 436 -7.970 -8.791 -13.022 1.00 74.50 C ATOM 1943 O TYR A 436 -6.950 -8.434 -12.431 1.00 23.41 O ATOM 1944 CB TYR A 436 -7.991 -11.193 -13.818 1.00 13.04 C ATOM 1945 CG TYR A 436 -8.281 -12.675 -13.533 1.00 72.24 C ATOM 1946 CD1 TYR A 436 -7.729 -13.314 -12.419 1.00 70.32 C ATOM 1947 CD2 TYR A 436 -9.087 -13.438 -14.380 1.00 53.44 C ATOM 1948 CE1 TYR A 436 -7.981 -14.651 -12.162 1.00 44.23 C ATOM 1949 CE2 TYR A 436 -9.341 -14.770 -14.121 1.00 62.21 C ATOM 1950 CZ TYR A 436 -8.786 -15.372 -13.017 1.00 21.03 C ATOM 1951 OH TYR A 436 -9.048 -16.703 -12.757 1.00 3.00 O ATOM 0 H TYR A 436 -10.456 -10.688 -13.583 1.00 43.33 H new ATOM 0 HA TYR A 436 -8.286 -10.535 -11.776 1.00 43.15 H new ATOM 0 HB2 TYR A 436 -8.395 -10.942 -14.799 1.00 13.04 H new ATOM 0 HB3 TYR A 436 -6.911 -11.054 -13.873 1.00 13.04 H new ATOM 0 HD1 TYR A 436 -7.095 -12.755 -11.747 1.00 70.32 H new ATOM 0 HD2 TYR A 436 -9.520 -12.977 -15.255 1.00 53.44 H new ATOM 0 HE1 TYR A 436 -7.548 -15.127 -11.295 1.00 44.23 H new ATOM 0 HE2 TYR A 436 -9.975 -15.338 -14.785 1.00 62.21 H new ATOM 0 HH TYR A 436 -9.633 -17.064 -13.456 1.00 3.00 H new ATOM 1961 N LYS A 437 -8.633 -8.013 -13.900 1.00 52.24 N ATOM 1962 CA LYS A 437 -8.199 -6.661 -14.294 1.00 51.40 C ATOM 1963 C LYS A 437 -8.442 -5.665 -13.156 1.00 31.12 C ATOM 1964 O LYS A 437 -7.593 -4.816 -12.886 1.00 11.40 O ATOM 1965 CB LYS A 437 -8.920 -6.205 -15.601 1.00 71.33 C ATOM 1966 CG LYS A 437 -8.622 -4.744 -16.027 1.00 24.10 C ATOM 1967 CD LYS A 437 -9.215 -4.366 -17.406 1.00 30.41 C ATOM 1968 CE LYS A 437 -9.028 -2.868 -17.727 1.00 14.32 C ATOM 1969 NZ LYS A 437 -7.592 -2.453 -17.689 1.00 23.45 N ATOM 0 H LYS A 437 -9.494 -8.310 -14.360 1.00 52.24 H new ATOM 0 HA LYS A 437 -7.128 -6.690 -14.496 1.00 51.40 H new ATOM 0 HB2 LYS A 437 -8.630 -6.872 -16.412 1.00 71.33 H new ATOM 0 HB3 LYS A 437 -9.996 -6.318 -15.465 1.00 71.33 H new ATOM 0 HG2 LYS A 437 -9.020 -4.066 -15.272 1.00 24.10 H new ATOM 0 HG3 LYS A 437 -7.543 -4.595 -16.052 1.00 24.10 H new ATOM 0 HD2 LYS A 437 -8.738 -4.965 -18.182 1.00 30.41 H new ATOM 0 HD3 LYS A 437 -10.277 -4.610 -17.423 1.00 30.41 H new ATOM 0 HE2 LYS A 437 -9.439 -2.657 -18.714 1.00 14.32 H new ATOM 0 HE3 LYS A 437 -9.595 -2.272 -17.012 1.00 14.32 H new ATOM 0 HZ1 LYS A 437 -7.511 -1.457 -17.977 1.00 23.45 H new ATOM 0 HZ2 LYS A 437 -7.224 -2.565 -16.723 1.00 23.45 H new ATOM 0 HZ3 LYS A 437 -7.041 -3.048 -18.341 1.00 23.45 H new ATOM 1983 N ALA A 438 -9.598 -5.797 -12.482 1.00 52.53 N ATOM 1984 CA ALA A 438 -9.960 -4.940 -11.342 1.00 54.04 C ATOM 1985 C ALA A 438 -9.000 -5.169 -10.169 1.00 45.15 C ATOM 1986 O ALA A 438 -8.449 -4.213 -9.624 1.00 72.03 O ATOM 1987 CB ALA A 438 -11.409 -5.193 -10.919 1.00 33.33 C ATOM 0 H ALA A 438 -10.303 -6.497 -12.711 1.00 52.53 H new ATOM 0 HA ALA A 438 -9.874 -3.899 -11.652 1.00 54.04 H new ATOM 0 HB1 ALA A 438 -11.659 -4.551 -10.075 1.00 33.33 H new ATOM 0 HB2 ALA A 438 -12.075 -4.972 -11.753 1.00 33.33 H new ATOM 0 HB3 ALA A 438 -11.526 -6.237 -10.628 1.00 33.33 H new ATOM 1993 N GLN A 439 -8.775 -6.453 -9.827 1.00 12.13 N ATOM 1994 CA GLN A 439 -7.828 -6.849 -8.773 1.00 43.14 C ATOM 1995 C GLN A 439 -6.397 -6.379 -9.093 1.00 72.15 C ATOM 1996 O GLN A 439 -5.687 -5.896 -8.207 1.00 1.42 O ATOM 1997 CB GLN A 439 -7.855 -8.385 -8.566 1.00 60.41 C ATOM 1998 CG GLN A 439 -9.132 -8.924 -7.895 1.00 33.22 C ATOM 1999 CD GLN A 439 -9.415 -8.262 -6.549 1.00 11.11 C ATOM 2000 OE1 GLN A 439 -8.897 -8.684 -5.526 1.00 63.32 O ATOM 2001 NE2 GLN A 439 -10.268 -7.249 -6.532 1.00 13.15 N ATOM 0 H GLN A 439 -9.245 -7.241 -10.274 1.00 12.13 H new ATOM 0 HA GLN A 439 -8.141 -6.362 -7.849 1.00 43.14 H new ATOM 0 HB2 GLN A 439 -7.738 -8.870 -9.535 1.00 60.41 H new ATOM 0 HB3 GLN A 439 -6.995 -8.671 -7.961 1.00 60.41 H new ATOM 0 HG2 GLN A 439 -9.981 -8.765 -8.559 1.00 33.22 H new ATOM 0 HG3 GLN A 439 -9.036 -10.000 -7.753 1.00 33.22 H new ATOM 0 HE21 GLN A 439 -10.685 -6.918 -7.402 1.00 13.15 H new ATOM 0 HE22 GLN A 439 -10.508 -6.799 -5.649 1.00 13.15 H new ATOM 2010 N PHE A 440 -6.003 -6.507 -10.377 1.00 53.33 N ATOM 2011 CA PHE A 440 -4.692 -6.048 -10.859 1.00 73.44 C ATOM 2012 C PHE A 440 -4.540 -4.533 -10.611 1.00 30.52 C ATOM 2013 O PHE A 440 -3.635 -4.116 -9.907 1.00 74.31 O ATOM 2014 CB PHE A 440 -4.504 -6.379 -12.367 1.00 74.43 C ATOM 2015 CG PHE A 440 -3.142 -5.970 -12.934 1.00 63.34 C ATOM 2016 CD1 PHE A 440 -2.024 -6.782 -12.752 1.00 60.42 C ATOM 2017 CD2 PHE A 440 -2.973 -4.772 -13.640 1.00 61.01 C ATOM 2018 CE1 PHE A 440 -0.786 -6.405 -13.240 1.00 54.31 C ATOM 2019 CE2 PHE A 440 -1.731 -4.402 -14.128 1.00 43.44 C ATOM 2020 CZ PHE A 440 -0.641 -5.222 -13.933 1.00 42.42 C ATOM 0 H PHE A 440 -6.584 -6.929 -11.102 1.00 53.33 H new ATOM 0 HA PHE A 440 -3.916 -6.575 -10.304 1.00 73.44 H new ATOM 0 HB2 PHE A 440 -4.638 -7.451 -12.512 1.00 74.43 H new ATOM 0 HB3 PHE A 440 -5.287 -5.880 -12.937 1.00 74.43 H new ATOM 0 HD1 PHE A 440 -2.126 -7.718 -12.223 1.00 60.42 H new ATOM 0 HD2 PHE A 440 -3.824 -4.128 -13.806 1.00 61.01 H new ATOM 0 HE1 PHE A 440 0.072 -7.041 -13.077 1.00 54.31 H new ATOM 0 HE2 PHE A 440 -1.617 -3.470 -14.662 1.00 43.44 H new ATOM 0 HZ PHE A 440 0.326 -4.938 -14.322 1.00 42.42 H new ATOM 2030 N THR A 441 -5.509 -3.756 -11.133 1.00 74.24 N ATOM 2031 CA THR A 441 -5.489 -2.277 -11.140 1.00 55.51 C ATOM 2032 C THR A 441 -5.550 -1.677 -9.710 1.00 32.13 C ATOM 2033 O THR A 441 -4.939 -0.640 -9.439 1.00 12.21 O ATOM 2034 CB THR A 441 -6.679 -1.743 -12.020 1.00 30.14 C ATOM 2035 OG1 THR A 441 -6.544 -2.248 -13.364 1.00 20.32 O ATOM 2036 CG2 THR A 441 -6.759 -0.202 -12.077 1.00 70.54 C ATOM 0 H THR A 441 -6.344 -4.145 -11.570 1.00 74.24 H new ATOM 0 HA THR A 441 -4.540 -1.956 -11.570 1.00 55.51 H new ATOM 0 HB THR A 441 -7.596 -2.097 -11.549 1.00 30.14 H new ATOM 0 HG1 THR A 441 -6.885 -3.166 -13.404 1.00 20.32 H new ATOM 0 HG21 THR A 441 -7.602 0.096 -12.701 1.00 70.54 H new ATOM 0 HG22 THR A 441 -6.895 0.193 -11.070 1.00 70.54 H new ATOM 0 HG23 THR A 441 -5.836 0.195 -12.501 1.00 70.54 H new ATOM 2044 N GLN A 442 -6.263 -2.361 -8.807 1.00 32.40 N ATOM 2045 CA GLN A 442 -6.450 -1.914 -7.411 1.00 74.52 C ATOM 2046 C GLN A 442 -5.192 -2.169 -6.563 1.00 45.04 C ATOM 2047 O GLN A 442 -4.749 -1.290 -5.821 1.00 34.41 O ATOM 2048 CB GLN A 442 -7.693 -2.608 -6.816 1.00 21.41 C ATOM 2049 CG GLN A 442 -9.024 -2.063 -7.375 1.00 14.31 C ATOM 2050 CD GLN A 442 -10.270 -2.804 -6.890 1.00 72.15 C ATOM 2051 OE1 GLN A 442 -11.319 -2.194 -6.674 1.00 3.54 O ATOM 2052 NE2 GLN A 442 -10.197 -4.128 -6.791 1.00 11.45 N ATOM 0 H GLN A 442 -6.730 -3.243 -9.019 1.00 32.40 H new ATOM 0 HA GLN A 442 -6.613 -0.836 -7.402 1.00 74.52 H new ATOM 0 HB2 GLN A 442 -7.634 -3.678 -7.017 1.00 21.41 H new ATOM 0 HB3 GLN A 442 -7.685 -2.486 -5.733 1.00 21.41 H new ATOM 0 HG2 GLN A 442 -9.114 -1.011 -7.102 1.00 14.31 H new ATOM 0 HG3 GLN A 442 -8.991 -2.108 -8.464 1.00 14.31 H new ATOM 0 HE21 GLN A 442 -9.315 -4.605 -6.976 1.00 11.45 H new ATOM 0 HE22 GLN A 442 -11.023 -4.666 -6.530 1.00 11.45 H new ATOM 2061 N LEU A 443 -4.610 -3.371 -6.695 1.00 14.41 N ATOM 2062 CA LEU A 443 -3.320 -3.710 -6.050 1.00 33.11 C ATOM 2063 C LEU A 443 -2.148 -2.954 -6.750 1.00 21.51 C ATOM 2064 O LEU A 443 -1.078 -2.796 -6.163 1.00 34.24 O ATOM 2065 CB LEU A 443 -3.085 -5.260 -6.042 1.00 23.13 C ATOM 2066 CG LEU A 443 -3.841 -6.123 -4.954 1.00 13.05 C ATOM 2067 CD1 LEU A 443 -5.378 -5.964 -5.009 1.00 40.20 C ATOM 2068 CD2 LEU A 443 -3.442 -7.618 -5.075 1.00 14.24 C ATOM 0 H LEU A 443 -5.010 -4.132 -7.244 1.00 14.41 H new ATOM 0 HA LEU A 443 -3.356 -3.384 -5.010 1.00 33.11 H new ATOM 0 HB2 LEU A 443 -3.362 -5.644 -7.024 1.00 23.13 H new ATOM 0 HB3 LEU A 443 -2.016 -5.434 -5.922 1.00 23.13 H new ATOM 0 HG LEU A 443 -3.527 -5.742 -3.982 1.00 13.05 H new ATOM 0 HD11 LEU A 443 -5.836 -6.582 -4.237 1.00 40.20 H new ATOM 0 HD12 LEU A 443 -5.642 -4.920 -4.842 1.00 40.20 H new ATOM 0 HD13 LEU A 443 -5.741 -6.278 -5.988 1.00 40.20 H new ATOM 0 HD21 LEU A 443 -3.971 -8.198 -4.319 1.00 14.24 H new ATOM 0 HD22 LEU A 443 -3.707 -7.986 -6.066 1.00 14.24 H new ATOM 0 HD23 LEU A 443 -2.367 -7.721 -4.925 1.00 14.24 H new ATOM 2080 N ASP A 444 -2.389 -2.487 -8.003 1.00 33.41 N ATOM 2081 CA ASP A 444 -1.411 -1.717 -8.813 1.00 54.41 C ATOM 2082 C ASP A 444 -1.311 -0.267 -8.323 1.00 44.24 C ATOM 2083 O ASP A 444 -0.205 0.249 -8.141 1.00 24.51 O ATOM 2084 CB ASP A 444 -1.823 -1.735 -10.313 1.00 71.41 C ATOM 2085 CG ASP A 444 -0.868 -0.968 -11.245 1.00 20.22 C ATOM 2086 OD1 ASP A 444 -1.074 0.245 -11.474 1.00 20.51 O ATOM 2087 OD2 ASP A 444 0.084 -1.575 -11.767 1.00 30.10 O ATOM 0 H ASP A 444 -3.277 -2.636 -8.483 1.00 33.41 H new ATOM 0 HA ASP A 444 -0.435 -2.189 -8.700 1.00 54.41 H new ATOM 0 HB2 ASP A 444 -1.884 -2.770 -10.648 1.00 71.41 H new ATOM 0 HB3 ASP A 444 -2.822 -1.310 -10.408 1.00 71.41 H new ATOM 2092 N THR A 445 -2.483 0.396 -8.138 1.00 12.52 N ATOM 2093 CA THR A 445 -2.534 1.782 -7.627 1.00 35.12 C ATOM 2094 C THR A 445 -2.078 1.813 -6.161 1.00 31.33 C ATOM 2095 O THR A 445 -1.415 2.769 -5.735 1.00 11.14 O ATOM 2096 CB THR A 445 -3.942 2.466 -7.784 1.00 34.41 C ATOM 2097 OG1 THR A 445 -3.889 3.823 -7.296 1.00 14.22 O ATOM 2098 CG2 THR A 445 -5.069 1.708 -7.061 1.00 62.21 C ATOM 0 H THR A 445 -3.398 -0.009 -8.335 1.00 12.52 H new ATOM 0 HA THR A 445 -1.851 2.367 -8.244 1.00 35.12 H new ATOM 0 HB THR A 445 -4.176 2.451 -8.849 1.00 34.41 H new ATOM 0 HG1 THR A 445 -4.769 4.242 -7.399 1.00 14.22 H new ATOM 0 HG21 THR A 445 -6.013 2.232 -7.209 1.00 62.21 H new ATOM 0 HG22 THR A 445 -5.147 0.699 -7.466 1.00 62.21 H new ATOM 0 HG23 THR A 445 -4.846 1.655 -5.995 1.00 62.21 H new ATOM 2106 N MET A 446 -2.408 0.732 -5.411 1.00 31.13 N ATOM 2107 CA MET A 446 -1.923 0.540 -4.044 1.00 42.25 C ATOM 2108 C MET A 446 -0.393 0.454 -4.049 1.00 22.12 C ATOM 2109 O MET A 446 0.251 1.089 -3.229 1.00 42.51 O ATOM 2110 CB MET A 446 -2.506 -0.739 -3.373 1.00 64.12 C ATOM 2111 CG MET A 446 -2.131 -0.854 -1.886 1.00 12.12 C ATOM 2112 SD MET A 446 -2.712 -2.356 -1.080 1.00 70.14 S ATOM 2113 CE MET A 446 -2.081 -2.088 0.584 1.00 72.05 C ATOM 0 H MET A 446 -3.013 -0.019 -5.744 1.00 31.13 H new ATOM 0 HA MET A 446 -2.259 1.398 -3.461 1.00 42.25 H new ATOM 0 HB2 MET A 446 -3.592 -0.732 -3.470 1.00 64.12 H new ATOM 0 HB3 MET A 446 -2.144 -1.620 -3.904 1.00 64.12 H new ATOM 0 HG2 MET A 446 -1.046 -0.804 -1.794 1.00 12.12 H new ATOM 0 HG3 MET A 446 -2.536 0.007 -1.355 1.00 12.12 H new ATOM 0 HE1 MET A 446 -1.511 -2.961 0.902 1.00 72.05 H new ATOM 0 HE2 MET A 446 -1.434 -1.211 0.591 1.00 72.05 H new ATOM 0 HE3 MET A 446 -2.915 -1.930 1.268 1.00 72.05 H new ATOM 2123 N MET A 447 0.160 -0.324 -5.014 1.00 11.54 N ATOM 2124 CA MET A 447 1.611 -0.574 -5.115 1.00 10.11 C ATOM 2125 C MET A 447 2.399 0.684 -5.477 1.00 34.11 C ATOM 2126 O MET A 447 3.414 0.964 -4.850 1.00 21.31 O ATOM 2127 CB MET A 447 1.944 -1.699 -6.119 1.00 75.43 C ATOM 2128 CG MET A 447 3.458 -1.957 -6.292 1.00 61.31 C ATOM 2129 SD MET A 447 3.800 -3.455 -7.216 1.00 14.21 S ATOM 2130 CE MET A 447 3.158 -4.649 -6.061 1.00 4.43 C ATOM 0 H MET A 447 -0.388 -0.790 -5.737 1.00 11.54 H new ATOM 0 HA MET A 447 1.917 -0.895 -4.119 1.00 10.11 H new ATOM 0 HB2 MET A 447 1.464 -2.620 -5.789 1.00 75.43 H new ATOM 0 HB3 MET A 447 1.516 -1.446 -7.089 1.00 75.43 H new ATOM 0 HG2 MET A 447 3.912 -1.108 -6.803 1.00 61.31 H new ATOM 0 HG3 MET A 447 3.926 -2.025 -5.310 1.00 61.31 H new ATOM 0 HE1 MET A 447 3.946 -5.350 -5.787 1.00 4.43 H new ATOM 0 HE2 MET A 447 2.802 -4.136 -5.168 1.00 4.43 H new ATOM 0 HE3 MET A 447 2.333 -5.193 -6.521 1.00 4.43 H new ATOM 2140 N SER A 448 1.930 1.422 -6.492 1.00 42.51 N ATOM 2141 CA SER A 448 2.600 2.644 -6.971 1.00 14.22 C ATOM 2142 C SER A 448 2.670 3.697 -5.855 1.00 51.11 C ATOM 2143 O SER A 448 3.706 4.356 -5.659 1.00 63.24 O ATOM 2144 CB SER A 448 1.871 3.192 -8.211 1.00 74.32 C ATOM 2145 OG SER A 448 0.476 3.277 -7.982 1.00 0.13 O ATOM 0 H SER A 448 1.079 1.192 -7.004 1.00 42.51 H new ATOM 0 HA SER A 448 3.623 2.398 -7.256 1.00 14.22 H new ATOM 0 HB2 SER A 448 2.263 4.178 -8.462 1.00 74.32 H new ATOM 0 HB3 SER A 448 2.064 2.545 -9.067 1.00 74.32 H new ATOM 0 HG SER A 448 0.034 3.629 -8.783 1.00 0.13 H new ATOM 2151 N LYS A 449 1.564 3.813 -5.103 1.00 34.41 N ATOM 2152 CA LYS A 449 1.499 4.703 -3.945 1.00 43.25 C ATOM 2153 C LYS A 449 2.355 4.173 -2.783 1.00 31.42 C ATOM 2154 O LYS A 449 3.082 4.949 -2.180 1.00 51.44 O ATOM 2155 CB LYS A 449 0.032 4.943 -3.517 1.00 40.51 C ATOM 2156 CG LYS A 449 -0.798 5.699 -4.582 1.00 42.25 C ATOM 2157 CD LYS A 449 -2.241 6.011 -4.127 1.00 52.00 C ATOM 2158 CE LYS A 449 -2.292 6.956 -2.917 1.00 24.34 C ATOM 2159 NZ LYS A 449 -3.684 7.334 -2.556 1.00 53.30 N ATOM 0 H LYS A 449 0.702 3.297 -5.282 1.00 34.41 H new ATOM 0 HA LYS A 449 1.918 5.667 -4.235 1.00 43.25 H new ATOM 0 HB2 LYS A 449 -0.441 3.983 -3.311 1.00 40.51 H new ATOM 0 HB3 LYS A 449 0.020 5.510 -2.586 1.00 40.51 H new ATOM 0 HG2 LYS A 449 -0.293 6.633 -4.830 1.00 42.25 H new ATOM 0 HG3 LYS A 449 -0.833 5.104 -5.494 1.00 42.25 H new ATOM 0 HD2 LYS A 449 -2.790 6.459 -4.956 1.00 52.00 H new ATOM 0 HD3 LYS A 449 -2.748 5.079 -3.876 1.00 52.00 H new ATOM 0 HE2 LYS A 449 -1.815 6.475 -2.063 1.00 24.34 H new ATOM 0 HE3 LYS A 449 -1.719 7.856 -3.137 1.00 24.34 H new ATOM 0 HZ1 LYS A 449 -3.667 7.999 -1.756 1.00 53.30 H new ATOM 0 HZ2 LYS A 449 -4.144 7.786 -3.372 1.00 53.30 H new ATOM 0 HZ3 LYS A 449 -4.216 6.482 -2.287 1.00 53.30 H new ATOM 2173 N LEU A 450 2.321 2.843 -2.514 1.00 21.02 N ATOM 2174 CA LEU A 450 3.060 2.257 -1.367 1.00 51.35 C ATOM 2175 C LEU A 450 4.570 2.186 -1.662 1.00 42.04 C ATOM 2176 O LEU A 450 5.373 2.052 -0.747 1.00 54.41 O ATOM 2177 CB LEU A 450 2.450 0.883 -0.879 1.00 41.12 C ATOM 2178 CG LEU A 450 2.699 -0.451 -1.688 1.00 12.42 C ATOM 2179 CD1 LEU A 450 4.117 -1.054 -1.507 1.00 0.44 C ATOM 2180 CD2 LEU A 450 1.632 -1.513 -1.332 1.00 23.13 C ATOM 0 H LEU A 450 1.797 2.165 -3.067 1.00 21.02 H new ATOM 0 HA LEU A 450 2.935 2.931 -0.519 1.00 51.35 H new ATOM 0 HB2 LEU A 450 2.814 0.714 0.135 1.00 41.12 H new ATOM 0 HB3 LEU A 450 1.371 1.019 -0.812 1.00 41.12 H new ATOM 0 HG LEU A 450 2.618 -0.169 -2.738 1.00 12.42 H new ATOM 0 HD11 LEU A 450 4.202 -1.967 -2.096 1.00 0.44 H new ATOM 0 HD12 LEU A 450 4.864 -0.335 -1.843 1.00 0.44 H new ATOM 0 HD13 LEU A 450 4.283 -1.285 -0.455 1.00 0.44 H new ATOM 0 HD21 LEU A 450 1.822 -2.424 -1.900 1.00 23.13 H new ATOM 0 HD22 LEU A 450 1.680 -1.734 -0.266 1.00 23.13 H new ATOM 0 HD23 LEU A 450 0.642 -1.131 -1.579 1.00 23.13 H new ATOM 2192 N ASN A 451 4.937 2.274 -2.954 1.00 73.15 N ATOM 2193 CA ASN A 451 6.344 2.297 -3.407 1.00 50.42 C ATOM 2194 C ASN A 451 6.917 3.713 -3.224 1.00 21.33 C ATOM 2195 O ASN A 451 8.051 3.884 -2.746 1.00 61.22 O ATOM 2196 CB ASN A 451 6.460 1.844 -4.890 1.00 72.50 C ATOM 2197 CG ASN A 451 7.911 1.700 -5.370 1.00 35.52 C ATOM 2198 OD1 ASN A 451 8.526 0.643 -5.207 1.00 22.42 O ATOM 2199 ND2 ASN A 451 8.469 2.752 -5.958 1.00 60.51 N ATOM 0 H ASN A 451 4.264 2.332 -3.718 1.00 73.15 H new ATOM 0 HA ASN A 451 6.921 1.596 -2.803 1.00 50.42 H new ATOM 0 HB2 ASN A 451 5.948 0.890 -5.012 1.00 72.50 H new ATOM 0 HB3 ASN A 451 5.945 2.565 -5.524 1.00 72.50 H new ATOM 0 HD21 ASN A 451 9.432 2.700 -6.289 1.00 60.51 H new ATOM 0 HD22 ASN A 451 7.934 3.612 -6.078 1.00 60.51 H new ATOM 2206 N ASN A 452 6.102 4.718 -3.612 1.00 33.13 N ATOM 2207 CA ASN A 452 6.415 6.147 -3.418 1.00 22.44 C ATOM 2208 C ASN A 452 6.591 6.449 -1.921 1.00 31.52 C ATOM 2209 O ASN A 452 7.603 7.047 -1.502 1.00 12.22 O ATOM 2210 CB ASN A 452 5.276 7.031 -3.997 1.00 20.40 C ATOM 2211 CG ASN A 452 5.510 8.542 -3.818 1.00 43.32 C ATOM 2212 OD1 ASN A 452 6.636 9.029 -3.921 1.00 54.01 O ATOM 2213 ND2 ASN A 452 4.454 9.288 -3.520 1.00 2.10 N ATOM 0 H ASN A 452 5.205 4.558 -4.070 1.00 33.13 H new ATOM 0 HA ASN A 452 7.343 6.374 -3.943 1.00 22.44 H new ATOM 0 HB2 ASN A 452 5.164 6.813 -5.059 1.00 20.40 H new ATOM 0 HB3 ASN A 452 4.337 6.759 -3.515 1.00 20.40 H new ATOM 0 HD21 ASN A 452 4.564 10.291 -3.370 1.00 2.10 H new ATOM 0 HD22 ASN A 452 3.532 8.859 -3.441 1.00 2.10 H new ATOM 2220 N THR A 453 5.598 6.002 -1.129 1.00 14.23 N ATOM 2221 CA THR A 453 5.576 6.217 0.310 1.00 1.24 C ATOM 2222 C THR A 453 6.797 5.551 0.962 1.00 40.11 C ATOM 2223 O THR A 453 7.612 6.258 1.531 1.00 10.53 O ATOM 2224 CB THR A 453 4.245 5.723 0.967 1.00 40.24 C ATOM 2225 OG1 THR A 453 4.050 4.358 0.660 1.00 23.54 O ATOM 2226 CG2 THR A 453 3.013 6.528 0.494 1.00 4.12 C ATOM 0 H THR A 453 4.793 5.483 -1.480 1.00 14.23 H new ATOM 0 HA THR A 453 5.625 7.292 0.483 1.00 1.24 H new ATOM 0 HB THR A 453 4.341 5.871 2.043 1.00 40.24 H new ATOM 0 HG1 THR A 453 3.541 3.930 1.380 1.00 23.54 H new ATOM 0 HG21 THR A 453 2.117 6.143 0.981 1.00 4.12 H new ATOM 0 HG22 THR A 453 3.144 7.579 0.753 1.00 4.12 H new ATOM 0 HG23 THR A 453 2.908 6.431 -0.587 1.00 4.12 H new ATOM 2234 N SER A 454 6.959 4.214 0.776 1.00 34.11 N ATOM 2235 CA SER A 454 8.075 3.425 1.364 1.00 63.14 C ATOM 2236 C SER A 454 9.449 4.058 1.109 1.00 22.13 C ATOM 2237 O SER A 454 10.318 4.024 1.986 1.00 71.01 O ATOM 2238 CB SER A 454 8.071 1.989 0.809 1.00 60.40 C ATOM 2239 OG SER A 454 8.235 1.971 -0.596 1.00 11.43 O ATOM 0 H SER A 454 6.319 3.653 0.214 1.00 34.11 H new ATOM 0 HA SER A 454 7.908 3.413 2.441 1.00 63.14 H new ATOM 0 HB2 SER A 454 8.872 1.416 1.276 1.00 60.40 H new ATOM 0 HB3 SER A 454 7.133 1.500 1.072 1.00 60.40 H new ATOM 0 HG SER A 454 8.012 2.852 -0.963 1.00 11.43 H new ATOM 2245 N SER A 455 9.613 4.639 -0.097 1.00 55.32 N ATOM 2246 CA SER A 455 10.829 5.361 -0.486 1.00 60.53 C ATOM 2247 C SER A 455 11.099 6.555 0.467 1.00 44.02 C ATOM 2248 O SER A 455 12.125 6.578 1.178 1.00 72.33 O ATOM 2249 CB SER A 455 10.699 5.840 -1.954 1.00 71.31 C ATOM 2250 OG SER A 455 11.900 6.415 -2.429 1.00 45.01 O ATOM 0 H SER A 455 8.900 4.617 -0.826 1.00 55.32 H new ATOM 0 HA SER A 455 11.681 4.685 -0.408 1.00 60.53 H new ATOM 0 HB2 SER A 455 10.424 4.997 -2.588 1.00 71.31 H new ATOM 0 HB3 SER A 455 9.893 6.570 -2.028 1.00 71.31 H new ATOM 0 HG SER A 455 11.780 6.703 -3.358 1.00 45.01 H new ATOM 2256 N TYR A 456 10.150 7.521 0.529 1.00 65.15 N ATOM 2257 CA TYR A 456 10.330 8.737 1.358 1.00 64.02 C ATOM 2258 C TYR A 456 10.141 8.461 2.871 1.00 45.01 C ATOM 2259 O TYR A 456 10.581 9.258 3.693 1.00 53.14 O ATOM 2260 CB TYR A 456 9.476 9.949 0.858 1.00 4.40 C ATOM 2261 CG TYR A 456 7.931 9.833 0.881 1.00 25.21 C ATOM 2262 CD1 TYR A 456 7.218 9.667 2.074 1.00 72.25 C ATOM 2263 CD2 TYR A 456 7.182 9.977 -0.295 1.00 44.14 C ATOM 2264 CE1 TYR A 456 5.840 9.638 2.092 1.00 51.34 C ATOM 2265 CE2 TYR A 456 5.799 9.937 -0.274 1.00 12.24 C ATOM 2266 CZ TYR A 456 5.137 9.777 0.921 1.00 54.44 C ATOM 2267 OH TYR A 456 3.757 9.752 0.941 1.00 33.13 O ATOM 0 H TYR A 456 9.265 7.483 0.023 1.00 65.15 H new ATOM 0 HA TYR A 456 11.371 9.032 1.229 1.00 64.02 H new ATOM 0 HB2 TYR A 456 9.751 10.816 1.458 1.00 4.40 H new ATOM 0 HB3 TYR A 456 9.776 10.163 -0.168 1.00 4.40 H new ATOM 0 HD1 TYR A 456 7.760 9.559 3.002 1.00 72.25 H new ATOM 0 HD2 TYR A 456 7.694 10.122 -1.235 1.00 44.14 H new ATOM 0 HE1 TYR A 456 5.314 9.506 3.026 1.00 51.34 H new ATOM 0 HE2 TYR A 456 5.241 10.031 -1.194 1.00 12.24 H new ATOM 0 HH TYR A 456 3.415 9.865 0.030 1.00 33.13 H new ATOM 2277 N LEU A 457 9.471 7.340 3.220 1.00 13.53 N ATOM 2278 CA LEU A 457 9.228 6.937 4.623 1.00 41.43 C ATOM 2279 C LEU A 457 10.508 6.381 5.250 1.00 51.22 C ATOM 2280 O LEU A 457 10.809 6.676 6.407 1.00 42.34 O ATOM 2281 CB LEU A 457 8.093 5.866 4.741 1.00 4.11 C ATOM 2282 CG LEU A 457 6.631 6.340 4.469 1.00 2.42 C ATOM 2283 CD1 LEU A 457 5.621 5.182 4.684 1.00 51.22 C ATOM 2284 CD2 LEU A 457 6.292 7.560 5.334 1.00 61.12 C ATOM 0 H LEU A 457 9.084 6.689 2.537 1.00 13.53 H new ATOM 0 HA LEU A 457 8.910 7.832 5.157 1.00 41.43 H new ATOM 0 HB2 LEU A 457 8.320 5.056 4.047 1.00 4.11 H new ATOM 0 HB3 LEU A 457 8.130 5.445 5.746 1.00 4.11 H new ATOM 0 HG LEU A 457 6.554 6.643 3.425 1.00 2.42 H new ATOM 0 HD11 LEU A 457 4.610 5.540 4.488 1.00 51.22 H new ATOM 0 HD12 LEU A 457 5.855 4.364 4.003 1.00 51.22 H new ATOM 0 HD13 LEU A 457 5.687 4.828 5.713 1.00 51.22 H new ATOM 0 HD21 LEU A 457 5.269 7.877 5.131 1.00 61.12 H new ATOM 0 HD22 LEU A 457 6.388 7.297 6.387 1.00 61.12 H new ATOM 0 HD23 LEU A 457 6.977 8.374 5.099 1.00 61.12 H new ATOM 2296 N THR A 458 11.247 5.551 4.486 1.00 52.21 N ATOM 2297 CA THR A 458 12.513 4.971 4.959 1.00 33.12 C ATOM 2298 C THR A 458 13.607 6.058 5.002 1.00 61.43 C ATOM 2299 O THR A 458 14.487 6.021 5.868 1.00 1.20 O ATOM 2300 CB THR A 458 12.958 3.720 4.115 1.00 34.10 C ATOM 2301 OG1 THR A 458 13.981 3.000 4.818 1.00 13.03 O ATOM 2302 CG2 THR A 458 13.472 4.073 2.703 1.00 0.50 C ATOM 0 H THR A 458 10.986 5.270 3.541 1.00 52.21 H new ATOM 0 HA THR A 458 12.353 4.600 5.972 1.00 33.12 H new ATOM 0 HB THR A 458 12.065 3.109 3.984 1.00 34.10 H new ATOM 0 HG1 THR A 458 14.254 2.221 4.290 1.00 13.03 H new ATOM 0 HG21 THR A 458 13.760 3.160 2.182 1.00 0.50 H new ATOM 0 HG22 THR A 458 12.683 4.576 2.144 1.00 0.50 H new ATOM 0 HG23 THR A 458 14.336 4.732 2.785 1.00 0.50 H new ATOM 2310 N GLN A 459 13.514 7.047 4.081 1.00 53.15 N ATOM 2311 CA GLN A 459 14.364 8.252 4.116 1.00 51.11 C ATOM 2312 C GLN A 459 14.052 9.118 5.365 1.00 24.30 C ATOM 2313 O GLN A 459 14.969 9.584 6.059 1.00 1.13 O ATOM 2314 CB GLN A 459 14.193 9.076 2.812 1.00 22.55 C ATOM 2315 CG GLN A 459 14.833 8.443 1.552 1.00 12.23 C ATOM 2316 CD GLN A 459 14.908 9.391 0.345 1.00 14.45 C ATOM 2317 OE1 GLN A 459 15.116 10.688 0.576 1.00 62.24 O flip ATOM 2318 NE2 GLN A 459 14.812 8.957 -0.802 1.00 53.11 N flip ATOM 0 H GLN A 459 12.854 7.029 3.303 1.00 53.15 H new ATOM 0 HA GLN A 459 15.404 7.933 4.185 1.00 51.11 H new ATOM 0 HB2 GLN A 459 13.128 9.220 2.628 1.00 22.55 H new ATOM 0 HB3 GLN A 459 14.627 10.064 2.964 1.00 22.55 H new ATOM 0 HG2 GLN A 459 15.840 8.106 1.799 1.00 12.23 H new ATOM 0 HG3 GLN A 459 14.260 7.559 1.271 1.00 12.23 H new ATOM 0 HE21 GLN A 459 14.653 7.962 -0.959 1.00 53.11 H new ATOM 0 HE22 GLN A 459 14.892 9.592 -1.596 1.00 53.11 H new ATOM 2327 N GLN A 460 12.746 9.293 5.647 1.00 51.50 N ATOM 2328 CA GLN A 460 12.258 10.062 6.811 1.00 23.31 C ATOM 2329 C GLN A 460 12.557 9.316 8.123 1.00 42.42 C ATOM 2330 O GLN A 460 12.728 9.944 9.153 1.00 40.23 O ATOM 2331 CB GLN A 460 10.731 10.349 6.673 1.00 64.03 C ATOM 2332 CG GLN A 460 10.082 11.147 7.836 1.00 61.13 C ATOM 2333 CD GLN A 460 10.652 12.561 8.030 1.00 22.33 C ATOM 2334 OE1 GLN A 460 10.181 13.522 7.420 1.00 51.40 O ATOM 2335 NE2 GLN A 460 11.649 12.702 8.895 1.00 54.43 N ATOM 0 H GLN A 460 11.997 8.905 5.073 1.00 51.50 H new ATOM 0 HA GLN A 460 12.786 11.015 6.838 1.00 23.31 H new ATOM 0 HB2 GLN A 460 10.567 10.898 5.746 1.00 64.03 H new ATOM 0 HB3 GLN A 460 10.210 9.397 6.576 1.00 64.03 H new ATOM 0 HG2 GLN A 460 9.010 11.222 7.655 1.00 61.13 H new ATOM 0 HG3 GLN A 460 10.211 10.586 8.762 1.00 61.13 H new ATOM 0 HE21 GLN A 460 12.018 11.887 9.385 1.00 54.43 H new ATOM 0 HE22 GLN A 460 12.046 13.625 9.070 1.00 54.43 H new ATOM 2344 N PHE A 461 12.631 7.975 8.067 1.00 33.32 N ATOM 2345 CA PHE A 461 12.908 7.139 9.249 1.00 11.03 C ATOM 2346 C PHE A 461 14.373 7.278 9.661 1.00 11.23 C ATOM 2347 O PHE A 461 14.672 7.494 10.843 1.00 64.04 O ATOM 2348 CB PHE A 461 12.577 5.656 8.965 1.00 60.21 C ATOM 2349 CG PHE A 461 12.780 4.724 10.163 1.00 33.30 C ATOM 2350 CD1 PHE A 461 12.233 5.036 11.411 1.00 12.12 C ATOM 2351 CD2 PHE A 461 13.510 3.539 10.046 1.00 51.43 C ATOM 2352 CE1 PHE A 461 12.411 4.200 12.490 1.00 63.12 C ATOM 2353 CE2 PHE A 461 13.683 2.704 11.132 1.00 64.43 C ATOM 2354 CZ PHE A 461 13.135 3.037 12.352 1.00 45.32 C ATOM 0 H PHE A 461 12.501 7.442 7.207 1.00 33.32 H new ATOM 0 HA PHE A 461 12.273 7.483 10.066 1.00 11.03 H new ATOM 0 HB2 PHE A 461 11.541 5.584 8.635 1.00 60.21 H new ATOM 0 HB3 PHE A 461 13.199 5.309 8.140 1.00 60.21 H new ATOM 0 HD1 PHE A 461 11.663 5.945 11.530 1.00 12.12 H new ATOM 0 HD2 PHE A 461 13.945 3.272 9.094 1.00 51.43 H new ATOM 0 HE1 PHE A 461 11.982 4.457 13.447 1.00 63.12 H new ATOM 0 HE2 PHE A 461 14.248 1.790 11.025 1.00 64.43 H new ATOM 0 HZ PHE A 461 13.274 2.384 13.201 1.00 45.32 H new ATOM 2364 N THR A 462 15.270 7.147 8.661 1.00 21.30 N ATOM 2365 CA THR A 462 16.713 7.320 8.853 1.00 70.53 C ATOM 2366 C THR A 462 17.006 8.718 9.425 1.00 65.12 C ATOM 2367 O THR A 462 17.775 8.846 10.361 1.00 54.42 O ATOM 2368 CB THR A 462 17.500 7.114 7.512 1.00 12.43 C ATOM 2369 OG1 THR A 462 17.166 5.833 6.955 1.00 32.33 O ATOM 2370 CG2 THR A 462 19.031 7.195 7.706 1.00 20.01 C ATOM 0 H THR A 462 15.008 6.919 7.702 1.00 21.30 H new ATOM 0 HA THR A 462 17.049 6.561 9.560 1.00 70.53 H new ATOM 0 HB THR A 462 17.208 7.919 6.838 1.00 12.43 H new ATOM 0 HG1 THR A 462 16.267 5.870 6.566 1.00 32.33 H new ATOM 0 HG21 THR A 462 19.528 7.046 6.747 1.00 20.01 H new ATOM 0 HG22 THR A 462 19.296 8.175 8.103 1.00 20.01 H new ATOM 0 HG23 THR A 462 19.351 6.422 8.405 1.00 20.01 H new ATOM 2378 N ALA A 463 16.312 9.736 8.883 1.00 11.03 N ATOM 2379 CA ALA A 463 16.476 11.137 9.300 1.00 23.42 C ATOM 2380 C ALA A 463 15.895 11.405 10.711 1.00 31.53 C ATOM 2381 O ALA A 463 16.566 11.989 11.568 1.00 50.25 O ATOM 2382 CB ALA A 463 15.830 12.054 8.255 1.00 62.21 C ATOM 0 H ALA A 463 15.622 9.608 8.143 1.00 11.03 H new ATOM 0 HA ALA A 463 17.543 11.350 9.364 1.00 23.42 H new ATOM 0 HB1 ALA A 463 15.949 13.094 8.560 1.00 62.21 H new ATOM 0 HB2 ALA A 463 16.312 11.902 7.289 1.00 62.21 H new ATOM 0 HB3 ALA A 463 14.769 11.820 8.172 1.00 62.21 H new ATOM 2388 N MET A 464 14.657 10.937 10.956 1.00 1.12 N ATOM 2389 CA MET A 464 13.916 11.231 12.215 1.00 11.41 C ATOM 2390 C MET A 464 14.608 10.567 13.419 1.00 32.34 C ATOM 2391 O MET A 464 14.582 11.095 14.531 1.00 44.32 O ATOM 2392 CB MET A 464 12.432 10.769 12.107 1.00 74.04 C ATOM 2393 CG MET A 464 11.532 11.127 13.306 1.00 20.22 C ATOM 2394 SD MET A 464 9.808 10.647 13.050 1.00 24.22 S ATOM 2395 CE MET A 464 9.291 11.716 11.703 1.00 14.12 C ATOM 0 H MET A 464 14.140 10.351 10.301 1.00 1.12 H new ATOM 0 HA MET A 464 13.923 12.310 12.369 1.00 11.41 H new ATOM 0 HB2 MET A 464 11.999 11.207 11.208 1.00 74.04 H new ATOM 0 HB3 MET A 464 12.416 9.687 11.974 1.00 74.04 H new ATOM 0 HG2 MET A 464 11.913 10.635 14.201 1.00 20.22 H new ATOM 0 HG3 MET A 464 11.583 12.201 13.486 1.00 20.22 H new ATOM 0 HE1 MET A 464 8.312 12.139 11.929 1.00 14.12 H new ATOM 0 HE2 MET A 464 10.015 12.522 11.580 1.00 14.12 H new ATOM 0 HE3 MET A 464 9.232 11.137 10.781 1.00 14.12 H new ATOM 2405 N ASN A 465 15.242 9.408 13.166 1.00 71.33 N ATOM 2406 CA ASN A 465 16.015 8.679 14.183 1.00 33.21 C ATOM 2407 C ASN A 465 17.464 9.249 14.257 1.00 43.24 C ATOM 2408 O ASN A 465 17.858 9.795 15.293 1.00 4.10 O ATOM 2409 CB ASN A 465 15.960 7.148 13.881 1.00 21.00 C ATOM 2410 CG ASN A 465 16.615 6.258 14.947 1.00 23.33 C ATOM 2411 OD1 ASN A 465 16.805 6.660 16.095 1.00 72.55 O ATOM 2412 ND2 ASN A 465 16.900 5.008 14.593 1.00 1.14 N ATOM 0 H ASN A 465 15.232 8.953 12.253 1.00 71.33 H new ATOM 0 HA ASN A 465 15.579 8.820 15.172 1.00 33.21 H new ATOM 0 HB2 ASN A 465 14.917 6.851 13.770 1.00 21.00 H new ATOM 0 HB3 ASN A 465 16.447 6.963 12.924 1.00 21.00 H new ATOM 0 HD21 ASN A 465 17.285 4.359 15.279 1.00 1.14 H new ATOM 0 HD22 ASN A 465 16.734 4.699 13.635 1.00 1.14 H new ATOM 2419 N LYS A 466 18.255 9.123 13.159 1.00 43.32 N ATOM 2420 CA LYS A 466 19.617 9.729 13.056 1.00 63.01 C ATOM 2421 C LYS A 466 19.767 10.630 11.790 1.00 0.34 C ATOM 2422 O LYS A 466 20.235 10.174 10.742 1.00 14.23 O ATOM 2423 CB LYS A 466 20.751 8.639 13.131 1.00 3.44 C ATOM 2424 CG LYS A 466 20.702 7.488 12.072 1.00 44.43 C ATOM 2425 CD LYS A 466 19.682 6.369 12.393 1.00 62.52 C ATOM 2426 CE LYS A 466 20.029 5.592 13.680 1.00 73.31 C ATOM 2427 NZ LYS A 466 21.312 4.852 13.565 1.00 74.13 N ATOM 0 H LYS A 466 17.974 8.605 12.326 1.00 43.32 H new ATOM 0 HA LYS A 466 19.736 10.379 13.923 1.00 63.01 H new ATOM 0 HB2 LYS A 466 21.713 9.144 13.038 1.00 3.44 H new ATOM 0 HB3 LYS A 466 20.722 8.188 14.123 1.00 3.44 H new ATOM 0 HG2 LYS A 466 20.460 7.916 11.099 1.00 44.43 H new ATOM 0 HG3 LYS A 466 21.695 7.045 11.988 1.00 44.43 H new ATOM 0 HD2 LYS A 466 18.689 6.808 12.496 1.00 62.52 H new ATOM 0 HD3 LYS A 466 19.638 5.673 11.555 1.00 62.52 H new ATOM 0 HE2 LYS A 466 20.088 6.288 14.517 1.00 73.31 H new ATOM 0 HE3 LYS A 466 19.226 4.890 13.905 1.00 73.31 H new ATOM 0 HZ1 LYS A 466 21.444 4.253 14.405 1.00 74.13 H new ATOM 0 HZ2 LYS A 466 21.293 4.255 12.714 1.00 74.13 H new ATOM 0 HZ3 LYS A 466 22.098 5.529 13.496 1.00 74.13 H new ATOM 2441 N SER A 467 19.297 11.893 11.856 1.00 55.21 N ATOM 2442 CA SER A 467 19.635 12.914 10.837 1.00 4.02 C ATOM 2443 C SER A 467 21.133 13.311 10.945 1.00 75.43 C ATOM 2444 O SER A 467 21.939 12.879 10.088 1.00 62.43 O ATOM 2445 CB SER A 467 18.699 14.146 10.962 1.00 1.40 C ATOM 2446 OG SER A 467 18.630 14.621 12.299 1.00 42.24 O ATOM 2447 OXT SER A 467 21.505 14.015 11.909 1.00 37.65 O ATOM 0 H SER A 467 18.686 12.231 12.599 1.00 55.21 H new ATOM 0 HA SER A 467 19.478 12.488 9.846 1.00 4.02 H new ATOM 0 HB2 SER A 467 19.058 14.943 10.311 1.00 1.40 H new ATOM 0 HB3 SER A 467 17.699 13.880 10.619 1.00 1.40 H new ATOM 0 HG SER A 467 19.528 14.625 12.691 1.00 42.24 H new TER 2453 SER A 467