USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 812 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 93 GLN : amide:sc= 0.0324 X(o=-0.042,f=-0.11) USER MOD Set 1.2: A 97 ASN : amide:sc= -0.0745 K(o=-0.042,f=-0.65) USER MOD Set 2.1: A 67 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 69 SER OG : rot 180:sc= 0.15 USER MOD Single : A 1 GLU N :NH3+ 157:sc= -0.164 (180deg=-0.803) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.5 K(o=-0.5,f=-2!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -171:sc= 0.861 (180deg=0.728) USER MOD Single : A 24 ASN : amide:sc= -0.189 K(o=-0.19,f=-1.6!) USER MOD Single : A 26 LYS NZ :NH3+ -146:sc= 0.75 (180deg=0.314) USER MOD Single : A 27 THR OG1 : rot -120:sc= -0.0689 USER MOD Single : A 32 HIS :FLIP no HD1:sc= -1 F(o=-2.2,f=-1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -121:sc= 0.35 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.0196 X(o=-0.02,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -156:sc= 0.00412 (180deg=0) USER MOD Single : A 53 MET CE :methyl -165:sc= -0.412 (180deg=-0.585) USER MOD Single : A 59 THR OG1 : rot 90:sc= -0.72 USER MOD Single : A 66 SER OG : rot 140:sc= -0.703 USER MOD Single : A 70 GLN : amide:sc= 0.0383 K(o=0.038,f=-3.7!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 80:sc= 0.371 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.0044 X(o=-0.0044,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0622 X(o=-0.062,f=-0.44) USER MOD Single : A 98 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.1) USER MOD Single : A 101 SER OG : rot 69:sc= 0.422 USER MOD Single : A 102 SER OG : rot 38:sc= 0.248 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 19.503 11.179 16.261 1.00 0.00 N ATOM 2 CA GLU A 1 18.943 10.168 15.311 1.00 0.00 C ATOM 3 C GLU A 1 17.654 9.554 15.883 1.00 0.00 C ATOM 4 O GLU A 1 17.630 8.418 16.317 1.00 0.00 O ATOM 5 CB GLU A 1 20.040 9.102 15.137 1.00 0.00 C ATOM 6 CG GLU A 1 20.492 8.560 16.502 1.00 0.00 C ATOM 7 CD GLU A 1 21.838 9.181 16.884 1.00 0.00 C ATOM 8 OE1 GLU A 1 22.852 8.671 16.437 1.00 0.00 O ATOM 9 OE2 GLU A 1 21.832 10.157 17.616 1.00 0.00 O ATOM 0 H1 GLU A 1 20.521 11.298 16.082 1.00 0.00 H new ATOM 0 H2 GLU A 1 19.019 12.089 16.124 1.00 0.00 H new ATOM 0 H3 GLU A 1 19.359 10.854 17.238 1.00 0.00 H new ATOM 0 HA GLU A 1 18.676 10.614 14.353 1.00 0.00 H new ATOM 0 HB2 GLU A 1 19.665 8.284 14.522 1.00 0.00 H new ATOM 0 HB3 GLU A 1 20.892 9.532 14.611 1.00 0.00 H new ATOM 0 HG2 GLU A 1 19.745 8.792 17.261 1.00 0.00 H new ATOM 0 HG3 GLU A 1 20.580 7.474 16.462 1.00 0.00 H new ATOM 18 N ALA A 2 16.580 10.305 15.883 1.00 0.00 N ATOM 19 CA ALA A 2 15.288 9.779 16.421 1.00 0.00 C ATOM 20 C ALA A 2 14.099 10.473 15.740 1.00 0.00 C ATOM 21 O ALA A 2 14.271 11.437 15.015 1.00 0.00 O ATOM 22 CB ALA A 2 15.316 10.111 17.916 1.00 0.00 C ATOM 0 H ALA A 2 16.543 11.262 15.532 1.00 0.00 H new ATOM 0 HA ALA A 2 15.175 8.710 16.240 1.00 0.00 H new ATOM 0 HB1 ALA A 2 14.398 9.756 18.385 1.00 0.00 H new ATOM 0 HB2 ALA A 2 16.173 9.624 18.381 1.00 0.00 H new ATOM 0 HB3 ALA A 2 15.397 11.190 18.048 1.00 0.00 H new ATOM 28 N TYR A 3 12.900 9.981 15.975 1.00 0.00 N ATOM 29 CA TYR A 3 11.665 10.583 15.363 1.00 0.00 C ATOM 30 C TYR A 3 11.632 10.350 13.843 1.00 0.00 C ATOM 31 O TYR A 3 10.794 9.624 13.345 1.00 0.00 O ATOM 32 CB TYR A 3 11.715 12.083 15.692 1.00 0.00 C ATOM 33 CG TYR A 3 10.364 12.533 16.192 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.304 12.704 15.293 1.00 0.00 C ATOM 35 CD2 TYR A 3 10.169 12.778 17.557 1.00 0.00 C ATOM 36 CE1 TYR A 3 8.052 13.120 15.757 1.00 0.00 C ATOM 37 CE2 TYR A 3 8.916 13.194 18.021 1.00 0.00 C ATOM 38 CZ TYR A 3 7.857 13.365 17.121 1.00 0.00 C ATOM 39 OH TYR A 3 6.623 13.774 17.580 1.00 0.00 O ATOM 0 H TYR A 3 12.723 9.175 16.575 1.00 0.00 H new ATOM 0 HA TYR A 3 10.761 10.122 15.762 1.00 0.00 H new ATOM 0 HB2 TYR A 3 12.477 12.275 16.447 1.00 0.00 H new ATOM 0 HB3 TYR A 3 11.995 12.652 14.805 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.453 12.514 14.240 1.00 0.00 H new ATOM 0 HD2 TYR A 3 10.986 12.646 18.251 1.00 0.00 H new ATOM 0 HE1 TYR A 3 7.235 13.252 15.063 1.00 0.00 H new ATOM 0 HE2 TYR A 3 8.766 13.383 19.074 1.00 0.00 H new ATOM 0 HH TYR A 3 6.660 13.898 18.551 1.00 0.00 H new ATOM 49 N VAL A 4 12.534 10.952 13.106 1.00 0.00 N ATOM 50 CA VAL A 4 12.551 10.757 11.622 1.00 0.00 C ATOM 51 C VAL A 4 13.233 9.426 11.277 1.00 0.00 C ATOM 52 O VAL A 4 14.244 9.072 11.853 1.00 0.00 O ATOM 53 CB VAL A 4 13.356 11.940 11.066 1.00 0.00 C ATOM 54 CG1 VAL A 4 13.488 11.805 9.547 1.00 0.00 C ATOM 55 CG2 VAL A 4 12.638 13.253 11.394 1.00 0.00 C ATOM 0 H VAL A 4 13.260 11.570 13.468 1.00 0.00 H new ATOM 0 HA VAL A 4 11.547 10.722 11.198 1.00 0.00 H new ATOM 0 HB VAL A 4 14.347 11.942 11.521 1.00 0.00 H new ATOM 0 HG11 VAL A 4 14.060 12.646 9.155 1.00 0.00 H new ATOM 0 HG12 VAL A 4 14.002 10.874 9.308 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.496 11.799 9.095 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.212 14.091 10.998 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.646 13.248 10.943 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.544 13.356 12.475 1.00 0.00 H new ATOM 65 N GLN A 5 12.684 8.688 10.342 1.00 0.00 N ATOM 66 CA GLN A 5 13.299 7.378 9.963 1.00 0.00 C ATOM 67 C GLN A 5 13.243 7.170 8.441 1.00 0.00 C ATOM 68 O GLN A 5 12.362 7.667 7.764 1.00 0.00 O ATOM 69 CB GLN A 5 12.473 6.310 10.702 1.00 0.00 C ATOM 70 CG GLN A 5 11.081 6.164 10.070 1.00 0.00 C ATOM 71 CD GLN A 5 10.127 7.204 10.666 1.00 0.00 C ATOM 72 OE1 GLN A 5 9.846 8.210 10.047 1.00 0.00 O ATOM 73 NE2 GLN A 5 9.615 7.003 11.850 1.00 0.00 N ATOM 0 H GLN A 5 11.839 8.936 9.827 1.00 0.00 H new ATOM 0 HA GLN A 5 14.353 7.328 10.238 1.00 0.00 H new ATOM 0 HB2 GLN A 5 12.994 5.353 10.669 1.00 0.00 H new ATOM 0 HB3 GLN A 5 12.374 6.583 11.753 1.00 0.00 H new ATOM 0 HG2 GLN A 5 11.147 6.295 8.990 1.00 0.00 H new ATOM 0 HG3 GLN A 5 10.695 5.160 10.247 1.00 0.00 H new ATOM 0 HE21 GLN A 5 9.850 6.158 12.371 1.00 0.00 H new ATOM 0 HE22 GLN A 5 8.979 7.691 12.254 1.00 0.00 H new ATOM 82 N GLY A 6 14.183 6.434 7.903 1.00 0.00 N ATOM 83 CA GLY A 6 14.202 6.183 6.432 1.00 0.00 C ATOM 84 C GLY A 6 13.232 5.048 6.073 1.00 0.00 C ATOM 85 O GLY A 6 12.792 4.940 4.944 1.00 0.00 O ATOM 0 H GLY A 6 14.942 5.994 8.424 1.00 0.00 H new ATOM 0 HA2 GLY A 6 13.924 7.091 5.898 1.00 0.00 H new ATOM 0 HA3 GLY A 6 15.211 5.922 6.114 1.00 0.00 H new ATOM 89 N TRP A 7 12.899 4.198 7.018 1.00 0.00 N ATOM 90 CA TRP A 7 11.961 3.066 6.722 1.00 0.00 C ATOM 91 C TRP A 7 10.605 3.603 6.252 1.00 0.00 C ATOM 92 O TRP A 7 10.053 3.133 5.274 1.00 0.00 O ATOM 93 CB TRP A 7 11.810 2.304 8.046 1.00 0.00 C ATOM 94 CG TRP A 7 12.979 1.387 8.252 1.00 0.00 C ATOM 95 CD1 TRP A 7 14.190 1.511 7.655 1.00 0.00 C ATOM 96 CD2 TRP A 7 13.068 0.210 9.109 1.00 0.00 C ATOM 97 NE1 TRP A 7 15.010 0.487 8.090 1.00 0.00 N ATOM 98 CE2 TRP A 7 14.366 -0.341 8.986 1.00 0.00 C ATOM 99 CE3 TRP A 7 12.156 -0.425 9.972 1.00 0.00 C ATOM 100 CZ2 TRP A 7 14.745 -1.481 9.694 1.00 0.00 C ATOM 101 CZ3 TRP A 7 12.536 -1.574 10.686 1.00 0.00 C ATOM 102 CH2 TRP A 7 13.828 -2.100 10.546 1.00 0.00 C ATOM 0 H TRP A 7 13.236 4.239 7.980 1.00 0.00 H new ATOM 0 HA TRP A 7 12.339 2.423 5.927 1.00 0.00 H new ATOM 0 HB2 TRP A 7 11.741 3.009 8.874 1.00 0.00 H new ATOM 0 HB3 TRP A 7 10.884 1.729 8.040 1.00 0.00 H new ATOM 0 HD1 TRP A 7 14.468 2.284 6.954 1.00 0.00 H new ATOM 0 HE1 TRP A 7 15.975 0.359 7.785 1.00 0.00 H new ATOM 0 HE3 TRP A 7 11.158 -0.027 10.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 15.741 -1.883 9.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 11.829 -2.054 11.346 1.00 0.00 H new ATOM 0 HH2 TRP A 7 14.114 -2.984 11.097 1.00 0.00 H new ATOM 113 N GLU A 8 10.066 4.587 6.933 1.00 0.00 N ATOM 114 CA GLU A 8 8.747 5.156 6.514 1.00 0.00 C ATOM 115 C GLU A 8 8.852 5.735 5.098 1.00 0.00 C ATOM 116 O GLU A 8 7.955 5.581 4.291 1.00 0.00 O ATOM 117 CB GLU A 8 8.426 6.259 7.528 1.00 0.00 C ATOM 118 CG GLU A 8 6.910 6.474 7.579 1.00 0.00 C ATOM 119 CD GLU A 8 6.589 7.726 8.398 1.00 0.00 C ATOM 120 OE1 GLU A 8 6.794 8.815 7.886 1.00 0.00 O ATOM 121 OE2 GLU A 8 6.137 7.575 9.521 1.00 0.00 O ATOM 0 H GLU A 8 10.482 5.019 7.758 1.00 0.00 H new ATOM 0 HA GLU A 8 7.964 4.398 6.495 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.799 5.982 8.514 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.927 7.185 7.246 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.515 6.578 6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.425 5.604 8.023 1.00 0.00 H new ATOM 128 N ALA A 9 9.951 6.381 4.787 1.00 0.00 N ATOM 129 CA ALA A 9 10.128 6.950 3.417 1.00 0.00 C ATOM 130 C ALA A 9 10.154 5.816 2.388 1.00 0.00 C ATOM 131 O ALA A 9 9.565 5.917 1.328 1.00 0.00 O ATOM 132 CB ALA A 9 11.471 7.684 3.450 1.00 0.00 C ATOM 0 H ALA A 9 10.732 6.538 5.424 1.00 0.00 H new ATOM 0 HA ALA A 9 9.316 7.622 3.138 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.667 8.128 2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 9 11.438 8.469 4.206 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.265 6.978 3.694 1.00 0.00 H new ATOM 138 N VAL A 10 10.816 4.728 2.706 1.00 0.00 N ATOM 139 CA VAL A 10 10.866 3.572 1.761 1.00 0.00 C ATOM 140 C VAL A 10 9.453 3.003 1.585 1.00 0.00 C ATOM 141 O VAL A 10 9.052 2.643 0.493 1.00 0.00 O ATOM 142 CB VAL A 10 11.796 2.544 2.424 1.00 0.00 C ATOM 143 CG1 VAL A 10 11.780 1.236 1.628 1.00 0.00 C ATOM 144 CG2 VAL A 10 13.225 3.095 2.458 1.00 0.00 C ATOM 0 H VAL A 10 11.323 4.593 3.580 1.00 0.00 H new ATOM 0 HA VAL A 10 11.230 3.849 0.772 1.00 0.00 H new ATOM 0 HB VAL A 10 11.449 2.353 3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.442 0.512 2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.766 0.838 1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.122 1.425 0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.885 2.366 2.928 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.565 3.289 1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.244 4.023 3.029 1.00 0.00 H new ATOM 154 N ALA A 11 8.696 2.940 2.653 1.00 0.00 N ATOM 155 CA ALA A 11 7.301 2.418 2.563 1.00 0.00 C ATOM 156 C ALA A 11 6.461 3.333 1.666 1.00 0.00 C ATOM 157 O ALA A 11 5.658 2.871 0.877 1.00 0.00 O ATOM 158 CB ALA A 11 6.773 2.431 3.999 1.00 0.00 C ATOM 0 H ALA A 11 8.988 3.230 3.587 1.00 0.00 H new ATOM 0 HA ALA A 11 7.258 1.418 2.131 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.748 2.059 4.013 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.399 1.793 4.623 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.795 3.450 4.385 1.00 0.00 H new ATOM 164 N ALA A 12 6.654 4.629 1.771 1.00 0.00 N ATOM 165 CA ALA A 12 5.883 5.576 0.913 1.00 0.00 C ATOM 166 C ALA A 12 6.232 5.338 -0.559 1.00 0.00 C ATOM 167 O ALA A 12 5.367 5.331 -1.416 1.00 0.00 O ATOM 168 CB ALA A 12 6.321 6.975 1.353 1.00 0.00 C ATOM 0 H ALA A 12 7.313 5.067 2.415 1.00 0.00 H new ATOM 0 HA ALA A 12 4.806 5.446 1.016 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.793 7.724 0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.088 7.114 2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.395 7.085 1.201 1.00 0.00 H new ATOM 174 N ALA A 13 7.493 5.125 -0.853 1.00 0.00 N ATOM 175 CA ALA A 13 7.903 4.865 -2.267 1.00 0.00 C ATOM 176 C ALA A 13 7.252 3.569 -2.763 1.00 0.00 C ATOM 177 O ALA A 13 6.777 3.492 -3.880 1.00 0.00 O ATOM 178 CB ALA A 13 9.426 4.730 -2.229 1.00 0.00 C ATOM 0 H ALA A 13 8.254 5.120 -0.174 1.00 0.00 H new ATOM 0 HA ALA A 13 7.592 5.660 -2.944 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.799 4.537 -3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.864 5.653 -1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.702 3.903 -1.575 1.00 0.00 H new ATOM 184 N VAL A 14 7.212 2.555 -1.928 1.00 0.00 N ATOM 185 CA VAL A 14 6.573 1.267 -2.339 1.00 0.00 C ATOM 186 C VAL A 14 5.083 1.502 -2.615 1.00 0.00 C ATOM 187 O VAL A 14 4.531 0.986 -3.571 1.00 0.00 O ATOM 188 CB VAL A 14 6.765 0.312 -1.151 1.00 0.00 C ATOM 189 CG1 VAL A 14 6.042 -1.010 -1.428 1.00 0.00 C ATOM 190 CG2 VAL A 14 8.259 0.038 -0.947 1.00 0.00 C ATOM 0 H VAL A 14 7.594 2.566 -0.982 1.00 0.00 H new ATOM 0 HA VAL A 14 7.012 0.856 -3.248 1.00 0.00 H new ATOM 0 HB VAL A 14 6.352 0.771 -0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.181 -1.685 -0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.978 -0.820 -1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.452 -1.467 -2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.393 -0.640 -0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.672 -0.417 -1.847 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.777 0.976 -0.745 1.00 0.00 H new ATOM 200 N ALA A 15 4.434 2.296 -1.792 1.00 0.00 N ATOM 201 CA ALA A 15 2.988 2.587 -2.012 1.00 0.00 C ATOM 202 C ALA A 15 2.811 3.332 -3.342 1.00 0.00 C ATOM 203 O ALA A 15 1.877 3.084 -4.083 1.00 0.00 O ATOM 204 CB ALA A 15 2.570 3.472 -0.833 1.00 0.00 C ATOM 0 H ALA A 15 4.848 2.752 -0.979 1.00 0.00 H new ATOM 0 HA ALA A 15 2.382 1.683 -2.064 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.515 3.728 -0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.732 2.934 0.101 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.166 4.385 -0.834 1.00 0.00 H new ATOM 210 N SER A 16 3.719 4.231 -3.653 1.00 0.00 N ATOM 211 CA SER A 16 3.632 4.983 -4.941 1.00 0.00 C ATOM 212 C SER A 16 3.743 4.005 -6.117 1.00 0.00 C ATOM 213 O SER A 16 3.021 4.110 -7.091 1.00 0.00 O ATOM 214 CB SER A 16 4.821 5.947 -4.927 1.00 0.00 C ATOM 215 OG SER A 16 4.549 7.044 -5.791 1.00 0.00 O ATOM 0 H SER A 16 4.517 4.474 -3.066 1.00 0.00 H new ATOM 0 HA SER A 16 2.687 5.515 -5.050 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.002 6.304 -3.913 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.726 5.431 -5.249 1.00 0.00 H new ATOM 0 HG SER A 16 5.308 7.663 -5.782 1.00 0.00 H new ATOM 221 N LYS A 17 4.635 3.043 -6.025 1.00 0.00 N ATOM 222 CA LYS A 17 4.783 2.048 -7.130 1.00 0.00 C ATOM 223 C LYS A 17 3.505 1.201 -7.252 1.00 0.00 C ATOM 224 O LYS A 17 3.132 0.791 -8.334 1.00 0.00 O ATOM 225 CB LYS A 17 5.981 1.172 -6.742 1.00 0.00 C ATOM 226 CG LYS A 17 6.271 0.180 -7.874 1.00 0.00 C ATOM 227 CD LYS A 17 7.782 0.043 -8.071 1.00 0.00 C ATOM 228 CE LYS A 17 8.089 -0.202 -9.554 1.00 0.00 C ATOM 229 NZ LYS A 17 7.746 -1.634 -9.799 1.00 0.00 N ATOM 0 H LYS A 17 5.263 2.907 -5.233 1.00 0.00 H new ATOM 0 HA LYS A 17 4.940 2.530 -8.095 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.856 1.795 -6.555 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.769 0.635 -5.818 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.837 -0.791 -7.638 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.804 0.522 -8.798 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.287 0.947 -7.730 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.164 -0.782 -7.469 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.500 0.458 -10.191 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.138 -0.006 -9.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.072 -1.912 -10.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.211 -2.230 -9.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.715 -1.760 -9.737 1.00 0.00 H new ATOM 243 N ILE A 18 2.829 0.947 -6.152 1.00 0.00 N ATOM 244 CA ILE A 18 1.570 0.141 -6.210 1.00 0.00 C ATOM 245 C ILE A 18 0.506 0.903 -7.009 1.00 0.00 C ATOM 246 O ILE A 18 -0.152 0.345 -7.863 1.00 0.00 O ATOM 247 CB ILE A 18 1.126 -0.037 -4.747 1.00 0.00 C ATOM 248 CG1 ILE A 18 1.997 -1.102 -4.064 1.00 0.00 C ATOM 249 CG2 ILE A 18 -0.347 -0.472 -4.695 1.00 0.00 C ATOM 250 CD1 ILE A 18 1.608 -2.500 -4.560 1.00 0.00 C ATOM 0 H ILE A 18 3.097 1.264 -5.220 1.00 0.00 H new ATOM 0 HA ILE A 18 1.717 -0.822 -6.700 1.00 0.00 H new ATOM 0 HB ILE A 18 1.240 0.914 -4.226 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.049 -0.913 -4.276 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.874 -1.044 -2.982 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.653 -0.596 -3.656 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.968 0.289 -5.168 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.466 -1.418 -5.224 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.232 -3.247 -4.069 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.561 -2.691 -4.325 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.754 -2.557 -5.639 1.00 0.00 H new ATOM 262 N VAL A 19 0.343 2.176 -6.740 1.00 0.00 N ATOM 263 CA VAL A 19 -0.674 2.984 -7.483 1.00 0.00 C ATOM 264 C VAL A 19 -0.338 3.011 -8.983 1.00 0.00 C ATOM 265 O VAL A 19 -1.212 2.913 -9.823 1.00 0.00 O ATOM 266 CB VAL A 19 -0.591 4.395 -6.877 1.00 0.00 C ATOM 267 CG1 VAL A 19 -1.331 5.394 -7.771 1.00 0.00 C ATOM 268 CG2 VAL A 19 -1.238 4.396 -5.487 1.00 0.00 C ATOM 0 H VAL A 19 0.872 2.691 -6.036 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.677 2.568 -7.393 1.00 0.00 H new ATOM 0 HB VAL A 19 0.457 4.684 -6.799 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.267 6.390 -7.334 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.876 5.402 -8.761 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.378 5.101 -7.855 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.178 5.397 -5.059 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.283 4.099 -5.572 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.713 3.693 -4.841 1.00 0.00 H new ATOM 278 N GLY A 20 0.922 3.145 -9.322 1.00 0.00 N ATOM 279 CA GLY A 20 1.318 3.186 -10.764 1.00 0.00 C ATOM 280 C GLY A 20 1.285 1.780 -11.393 1.00 0.00 C ATOM 281 O GLY A 20 1.244 1.647 -12.601 1.00 0.00 O ATOM 0 H GLY A 20 1.694 3.228 -8.660 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.645 3.847 -11.310 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.320 3.605 -10.857 1.00 0.00 H new ATOM 285 N LEU A 21 1.317 0.731 -10.599 1.00 0.00 N ATOM 286 CA LEU A 21 1.305 -0.648 -11.184 1.00 0.00 C ATOM 287 C LEU A 21 0.091 -1.468 -10.702 1.00 0.00 C ATOM 288 O LEU A 21 0.100 -2.685 -10.761 1.00 0.00 O ATOM 289 CB LEU A 21 2.612 -1.284 -10.700 1.00 0.00 C ATOM 290 CG LEU A 21 3.068 -2.356 -11.696 1.00 0.00 C ATOM 291 CD1 LEU A 21 3.604 -1.686 -12.965 1.00 0.00 C ATOM 292 CD2 LEU A 21 4.175 -3.205 -11.063 1.00 0.00 C ATOM 0 H LEU A 21 1.351 0.771 -9.580 1.00 0.00 H new ATOM 0 HA LEU A 21 1.226 -0.620 -12.271 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.382 -0.520 -10.596 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.468 -1.728 -9.715 1.00 0.00 H new ATOM 0 HG LEU A 21 2.221 -2.993 -11.952 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.927 -2.451 -13.671 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.817 -1.083 -13.418 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.449 -1.047 -12.710 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.499 -3.967 -11.772 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.020 -2.567 -10.805 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.795 -3.686 -10.162 1.00 0.00 H new ATOM 304 N TRP A 22 -0.954 -0.824 -10.242 1.00 0.00 N ATOM 305 CA TRP A 22 -2.158 -1.576 -9.773 1.00 0.00 C ATOM 306 C TRP A 22 -3.143 -1.766 -10.936 1.00 0.00 C ATOM 307 O TRP A 22 -3.387 -0.858 -11.709 1.00 0.00 O ATOM 308 CB TRP A 22 -2.771 -0.700 -8.671 1.00 0.00 C ATOM 309 CG TRP A 22 -4.135 -1.199 -8.300 1.00 0.00 C ATOM 310 CD1 TRP A 22 -4.448 -2.486 -8.013 1.00 0.00 C ATOM 311 CD2 TRP A 22 -5.373 -0.442 -8.168 1.00 0.00 C ATOM 312 NE1 TRP A 22 -5.797 -2.563 -7.718 1.00 0.00 N ATOM 313 CE2 TRP A 22 -6.411 -1.329 -7.799 1.00 0.00 C ATOM 314 CE3 TRP A 22 -5.693 0.918 -8.332 1.00 0.00 C ATOM 315 CZ2 TRP A 22 -7.718 -0.885 -7.601 1.00 0.00 C ATOM 316 CZ3 TRP A 22 -7.008 1.369 -8.134 1.00 0.00 C ATOM 317 CH2 TRP A 22 -8.018 0.469 -7.769 1.00 0.00 C ATOM 0 H TRP A 22 -1.024 0.191 -10.171 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.912 -2.571 -9.403 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.125 -0.705 -7.793 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.836 0.333 -9.014 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.757 -3.316 -8.014 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -6.280 -3.427 -7.471 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -4.922 1.620 -8.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.493 -1.583 -7.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.242 2.415 -8.264 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -9.027 0.822 -7.618 1.00 0.00 H new ATOM 328 N ARG A 23 -3.718 -2.937 -11.055 1.00 0.00 N ATOM 329 CA ARG A 23 -4.696 -3.198 -12.153 1.00 0.00 C ATOM 330 C ARG A 23 -6.122 -3.028 -11.615 1.00 0.00 C ATOM 331 O ARG A 23 -6.314 -2.533 -10.522 1.00 0.00 O ATOM 332 CB ARG A 23 -4.425 -4.650 -12.572 1.00 0.00 C ATOM 333 CG ARG A 23 -4.410 -4.753 -14.100 1.00 0.00 C ATOM 334 CD ARG A 23 -3.038 -5.256 -14.560 1.00 0.00 C ATOM 335 NE ARG A 23 -3.055 -5.148 -16.050 1.00 0.00 N ATOM 336 CZ ARG A 23 -2.255 -5.894 -16.767 1.00 0.00 C ATOM 337 NH1 ARG A 23 -0.960 -5.806 -16.606 1.00 0.00 N ATOM 338 NH2 ARG A 23 -2.752 -6.725 -17.647 1.00 0.00 N ATOM 0 H ARG A 23 -3.550 -3.728 -10.434 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.594 -2.514 -12.996 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.470 -4.983 -12.166 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.192 -5.306 -12.161 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.192 -5.434 -14.438 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.621 -3.780 -14.544 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.236 -4.655 -14.132 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.870 -6.285 -14.243 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.690 -4.493 -16.507 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.574 -5.156 -15.921 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.336 -6.388 -17.165 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.762 -6.790 -17.773 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.129 -7.307 -18.207 1.00 0.00 H new ATOM 352 N ASN A 24 -7.125 -3.425 -12.368 1.00 0.00 N ATOM 353 CA ASN A 24 -8.539 -3.280 -11.885 1.00 0.00 C ATOM 354 C ASN A 24 -8.656 -3.753 -10.429 1.00 0.00 C ATOM 355 O ASN A 24 -9.277 -3.107 -9.606 1.00 0.00 O ATOM 356 CB ASN A 24 -9.378 -4.174 -12.807 1.00 0.00 C ATOM 357 CG ASN A 24 -10.054 -3.324 -13.890 1.00 0.00 C ATOM 358 OD1 ASN A 24 -10.391 -2.180 -13.662 1.00 0.00 O ATOM 359 ND2 ASN A 24 -10.270 -3.842 -15.069 1.00 0.00 N ATOM 0 H ASN A 24 -7.025 -3.842 -13.294 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.874 -2.243 -11.912 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.744 -4.930 -13.270 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.132 -4.704 -12.225 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -10.721 -3.286 -15.796 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -9.988 -4.803 -15.263 1.00 0.00 H new ATOM 366 N GLU A 25 -8.047 -4.874 -10.108 1.00 0.00 N ATOM 367 CA GLU A 25 -8.102 -5.397 -8.704 1.00 0.00 C ATOM 368 C GLU A 25 -6.935 -6.364 -8.434 1.00 0.00 C ATOM 369 O GLU A 25 -7.070 -7.309 -7.683 1.00 0.00 O ATOM 370 CB GLU A 25 -9.450 -6.131 -8.596 1.00 0.00 C ATOM 371 CG GLU A 25 -9.543 -7.234 -9.663 1.00 0.00 C ATOM 372 CD GLU A 25 -9.503 -8.614 -8.996 1.00 0.00 C ATOM 373 OE1 GLU A 25 -10.453 -8.948 -8.305 1.00 0.00 O ATOM 374 OE2 GLU A 25 -8.523 -9.317 -9.190 1.00 0.00 O ATOM 0 H GLU A 25 -7.514 -5.449 -10.760 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.016 -4.595 -7.971 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.556 -6.567 -7.602 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.269 -5.423 -8.723 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.465 -7.123 -10.233 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.718 -7.138 -10.369 1.00 0.00 H new ATOM 381 N LYS A 26 -5.793 -6.134 -9.035 1.00 0.00 N ATOM 382 CA LYS A 26 -4.627 -7.047 -8.814 1.00 0.00 C ATOM 383 C LYS A 26 -3.316 -6.255 -8.735 1.00 0.00 C ATOM 384 O LYS A 26 -3.183 -5.189 -9.306 1.00 0.00 O ATOM 385 CB LYS A 26 -4.623 -7.969 -10.037 1.00 0.00 C ATOM 386 CG LYS A 26 -3.595 -9.092 -9.845 1.00 0.00 C ATOM 387 CD LYS A 26 -2.418 -8.876 -10.803 1.00 0.00 C ATOM 388 CE LYS A 26 -1.712 -10.211 -11.065 1.00 0.00 C ATOM 389 NZ LYS A 26 -1.185 -10.108 -12.457 1.00 0.00 N ATOM 0 H LYS A 26 -5.617 -5.354 -9.669 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.709 -7.596 -7.876 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.615 -8.395 -10.185 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.385 -7.396 -10.933 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.241 -9.104 -8.814 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.059 -10.060 -10.034 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.774 -8.452 -11.742 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.716 -8.160 -10.376 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.906 -10.377 -10.350 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.403 -11.048 -10.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.221 -11.043 -12.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.765 -9.437 -12.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.201 -9.773 -12.432 1.00 0.00 H new ATOM 403 N THR A 27 -2.346 -6.783 -8.032 1.00 0.00 N ATOM 404 CA THR A 27 -1.028 -6.093 -7.903 1.00 0.00 C ATOM 405 C THR A 27 0.064 -7.128 -7.602 1.00 0.00 C ATOM 406 O THR A 27 -0.225 -8.267 -7.287 1.00 0.00 O ATOM 407 CB THR A 27 -1.197 -5.097 -6.741 1.00 0.00 C ATOM 408 OG1 THR A 27 0.074 -4.550 -6.394 1.00 0.00 O ATOM 409 CG2 THR A 27 -1.813 -5.799 -5.523 1.00 0.00 C ATOM 0 H THR A 27 -2.413 -7.672 -7.537 1.00 0.00 H new ATOM 0 HA THR A 27 -0.732 -5.576 -8.816 1.00 0.00 H new ATOM 0 HB THR A 27 -1.864 -4.294 -7.055 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.277 -4.762 -5.459 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.927 -5.083 -4.709 1.00 0.00 H new ATOM 0 HG22 THR A 27 -2.790 -6.202 -5.791 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.161 -6.611 -5.203 1.00 0.00 H new ATOM 417 N GLU A 28 1.311 -6.748 -7.706 1.00 0.00 N ATOM 418 CA GLU A 28 2.417 -7.716 -7.431 1.00 0.00 C ATOM 419 C GLU A 28 3.506 -7.042 -6.589 1.00 0.00 C ATOM 420 O GLU A 28 4.102 -6.065 -7.000 1.00 0.00 O ATOM 421 CB GLU A 28 2.960 -8.109 -8.812 1.00 0.00 C ATOM 422 CG GLU A 28 1.986 -9.083 -9.490 1.00 0.00 C ATOM 423 CD GLU A 28 1.349 -8.425 -10.722 1.00 0.00 C ATOM 424 OE1 GLU A 28 0.797 -7.345 -10.582 1.00 0.00 O ATOM 425 OE2 GLU A 28 1.415 -9.020 -11.786 1.00 0.00 O ATOM 0 H GLU A 28 1.612 -5.810 -7.969 1.00 0.00 H new ATOM 0 HA GLU A 28 2.077 -8.587 -6.871 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.090 -7.220 -9.429 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.941 -8.572 -8.710 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.514 -9.990 -9.785 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.209 -9.381 -8.786 1.00 0.00 H new ATOM 432 N LEU A 29 3.765 -7.552 -5.411 1.00 0.00 N ATOM 433 CA LEU A 29 4.809 -6.933 -4.537 1.00 0.00 C ATOM 434 C LEU A 29 6.046 -7.835 -4.459 1.00 0.00 C ATOM 435 O LEU A 29 5.966 -8.972 -4.035 1.00 0.00 O ATOM 436 CB LEU A 29 4.147 -6.802 -3.165 1.00 0.00 C ATOM 437 CG LEU A 29 3.301 -5.527 -3.126 1.00 0.00 C ATOM 438 CD1 LEU A 29 2.097 -5.736 -2.203 1.00 0.00 C ATOM 439 CD2 LEU A 29 4.152 -4.368 -2.599 1.00 0.00 C ATOM 0 H LEU A 29 3.299 -8.369 -5.017 1.00 0.00 H new ATOM 0 HA LEU A 29 5.149 -5.971 -4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.522 -7.672 -2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.907 -6.771 -2.384 1.00 0.00 H new ATOM 0 HG LEU A 29 2.949 -5.295 -4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.496 -4.827 -2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.491 -6.561 -2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.446 -5.969 -1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.551 -3.459 -2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.504 -4.602 -1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.008 -4.217 -3.257 1.00 0.00 H new ATOM 451 N LEU A 30 7.191 -7.330 -4.865 1.00 0.00 N ATOM 452 CA LEU A 30 8.455 -8.141 -4.826 1.00 0.00 C ATOM 453 C LEU A 30 8.297 -9.447 -5.623 1.00 0.00 C ATOM 454 O LEU A 30 8.898 -10.455 -5.302 1.00 0.00 O ATOM 455 CB LEU A 30 8.696 -8.438 -3.341 1.00 0.00 C ATOM 456 CG LEU A 30 10.201 -8.499 -3.066 1.00 0.00 C ATOM 457 CD1 LEU A 30 10.782 -7.081 -3.055 1.00 0.00 C ATOM 458 CD2 LEU A 30 10.439 -9.162 -1.707 1.00 0.00 C ATOM 0 H LEU A 30 7.304 -6.382 -5.225 1.00 0.00 H new ATOM 0 HA LEU A 30 9.291 -7.607 -5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.235 -7.665 -2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.228 -9.384 -3.068 1.00 0.00 H new ATOM 0 HG LEU A 30 10.691 -9.080 -3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.853 -7.128 -2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.611 -6.610 -4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.296 -6.495 -2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.510 -9.208 -1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.949 -8.579 -0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.029 -10.172 -1.718 1.00 0.00 H new ATOM 470 N GLY A 31 7.492 -9.436 -6.659 1.00 0.00 N ATOM 471 CA GLY A 31 7.295 -10.674 -7.473 1.00 0.00 C ATOM 472 C GLY A 31 6.167 -11.533 -6.877 1.00 0.00 C ATOM 473 O GLY A 31 5.704 -12.470 -7.500 1.00 0.00 O ATOM 0 H GLY A 31 6.964 -8.623 -6.975 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.052 -10.406 -8.501 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.221 -11.248 -7.503 1.00 0.00 H new ATOM 477 N HIS A 32 5.719 -11.228 -5.680 1.00 0.00 N ATOM 478 CA HIS A 32 4.627 -12.032 -5.055 1.00 0.00 C ATOM 479 C HIS A 32 3.265 -11.524 -5.531 1.00 0.00 C ATOM 480 O HIS A 32 3.053 -10.335 -5.678 1.00 0.00 O ATOM 481 CB HIS A 32 4.771 -11.815 -3.547 1.00 0.00 C ATOM 482 CG HIS A 32 6.162 -12.180 -3.101 1.00 0.00 C ATOM 483 ND1 HIS A 32 7.091 -11.494 -2.363 1.00 0.00 N flip ATOM 484 CD2 HIS A 32 6.755 -13.392 -3.424 1.00 0.00 C flip ATOM 485 CE1 HIS A 32 8.243 -12.261 -2.226 1.00 0.00 C flip ATOM 486 NE2 HIS A 32 7.988 -13.395 -2.885 1.00 0.00 N flip ATOM 0 H HIS A 32 6.065 -10.455 -5.111 1.00 0.00 H new ATOM 0 HA HIS A 32 4.695 -13.087 -5.321 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.563 -10.774 -3.300 1.00 0.00 H new ATOM 0 HB3 HIS A 32 4.039 -12.421 -3.013 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.309 -14.188 -4.002 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.149 -11.997 -1.700 1.00 0.00 H new ATOM 0 HE2 HIS A 32 8.647 -14.169 -2.969 1.00 0.00 H new ATOM 494 N GLU A 33 2.338 -12.415 -5.766 1.00 0.00 N ATOM 495 CA GLU A 33 0.986 -11.981 -6.231 1.00 0.00 C ATOM 496 C GLU A 33 0.218 -11.316 -5.085 1.00 0.00 C ATOM 497 O GLU A 33 0.207 -11.798 -3.966 1.00 0.00 O ATOM 498 CB GLU A 33 0.278 -13.261 -6.683 1.00 0.00 C ATOM 499 CG GLU A 33 -0.028 -13.176 -8.179 1.00 0.00 C ATOM 500 CD GLU A 33 -1.167 -14.137 -8.524 1.00 0.00 C ATOM 501 OE1 GLU A 33 -0.893 -15.315 -8.683 1.00 0.00 O ATOM 502 OE2 GLU A 33 -2.292 -13.678 -8.624 1.00 0.00 O ATOM 0 H GLU A 33 2.457 -13.422 -5.657 1.00 0.00 H new ATOM 0 HA GLU A 33 1.048 -11.250 -7.038 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.906 -14.128 -6.479 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.645 -13.396 -6.120 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.305 -12.156 -8.447 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.861 -13.427 -8.757 1.00 0.00 H new ATOM 509 N CYS A 34 -0.425 -10.211 -5.362 1.00 0.00 N ATOM 510 CA CYS A 34 -1.198 -9.502 -4.305 1.00 0.00 C ATOM 511 C CYS A 34 -2.521 -8.992 -4.876 1.00 0.00 C ATOM 512 O CYS A 34 -2.736 -8.988 -6.076 1.00 0.00 O ATOM 513 CB CYS A 34 -0.315 -8.327 -3.878 1.00 0.00 C ATOM 514 SG CYS A 34 1.015 -8.922 -2.805 1.00 0.00 S ATOM 0 H CYS A 34 -0.446 -9.769 -6.281 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.439 -10.154 -3.466 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.105 -7.837 -4.756 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.913 -7.582 -3.353 1.00 0.00 H new ATOM 519 N LYS A 35 -3.405 -8.554 -4.024 1.00 0.00 N ATOM 520 CA LYS A 35 -4.717 -8.035 -4.501 1.00 0.00 C ATOM 521 C LYS A 35 -4.997 -6.668 -3.879 1.00 0.00 C ATOM 522 O LYS A 35 -5.046 -6.522 -2.674 1.00 0.00 O ATOM 523 CB LYS A 35 -5.749 -9.060 -4.036 1.00 0.00 C ATOM 524 CG LYS A 35 -6.987 -8.973 -4.929 1.00 0.00 C ATOM 525 CD LYS A 35 -6.792 -9.860 -6.162 1.00 0.00 C ATOM 526 CE LYS A 35 -8.027 -10.741 -6.359 1.00 0.00 C ATOM 527 NZ LYS A 35 -7.751 -11.972 -5.567 1.00 0.00 N ATOM 0 H LYS A 35 -3.274 -8.533 -3.013 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.740 -7.904 -5.583 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.326 -10.064 -4.078 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.022 -8.873 -2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.871 -9.291 -4.375 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.156 -7.940 -5.234 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.629 -9.242 -7.045 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.905 -10.481 -6.039 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.929 -10.240 -6.009 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.181 -10.975 -7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.554 -12.627 -5.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.890 -12.431 -5.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.615 -11.719 -4.567 1.00 0.00 H new ATOM 541 N PHE A 36 -5.177 -5.668 -4.695 1.00 0.00 N ATOM 542 CA PHE A 36 -5.453 -4.299 -4.171 1.00 0.00 C ATOM 543 C PHE A 36 -6.808 -3.816 -4.700 1.00 0.00 C ATOM 544 O PHE A 36 -7.126 -4.004 -5.859 1.00 0.00 O ATOM 545 CB PHE A 36 -4.305 -3.449 -4.724 1.00 0.00 C ATOM 546 CG PHE A 36 -4.290 -2.086 -4.073 1.00 0.00 C ATOM 547 CD1 PHE A 36 -5.192 -1.100 -4.490 1.00 0.00 C ATOM 548 CD2 PHE A 36 -3.367 -1.805 -3.059 1.00 0.00 C ATOM 549 CE1 PHE A 36 -5.171 0.165 -3.895 1.00 0.00 C ATOM 550 CE2 PHE A 36 -3.347 -0.540 -2.464 1.00 0.00 C ATOM 551 CZ PHE A 36 -4.248 0.443 -2.882 1.00 0.00 C ATOM 0 H PHE A 36 -5.145 -5.740 -5.712 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.505 -4.250 -3.083 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.355 -3.953 -4.547 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.413 -3.341 -5.803 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.905 -1.317 -5.272 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.671 -2.565 -2.736 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.866 0.926 -4.217 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.635 -0.323 -1.681 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.231 1.420 -2.422 1.00 0.00 H new ATOM 561 N THR A 37 -7.618 -3.209 -3.866 1.00 0.00 N ATOM 562 CA THR A 37 -8.957 -2.736 -4.343 1.00 0.00 C ATOM 563 C THR A 37 -9.316 -1.367 -3.746 1.00 0.00 C ATOM 564 O THR A 37 -8.910 -1.025 -2.651 1.00 0.00 O ATOM 565 CB THR A 37 -9.959 -3.802 -3.874 1.00 0.00 C ATOM 566 OG1 THR A 37 -9.747 -4.098 -2.496 1.00 0.00 O ATOM 567 CG2 THR A 37 -9.780 -5.077 -4.700 1.00 0.00 C ATOM 0 H THR A 37 -7.413 -3.022 -2.884 1.00 0.00 H new ATOM 0 HA THR A 37 -8.965 -2.609 -5.426 1.00 0.00 H new ATOM 0 HB THR A 37 -10.971 -3.419 -4.008 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.550 -5.053 -2.393 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.492 -5.831 -4.365 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.955 -4.856 -5.753 1.00 0.00 H new ATOM 0 HG23 THR A 37 -8.765 -5.454 -4.572 1.00 0.00 H new ATOM 575 N VAL A 38 -10.096 -0.596 -4.466 1.00 0.00 N ATOM 576 CA VAL A 38 -10.522 0.749 -3.967 1.00 0.00 C ATOM 577 C VAL A 38 -12.036 0.908 -4.166 1.00 0.00 C ATOM 578 O VAL A 38 -12.554 0.672 -5.243 1.00 0.00 O ATOM 579 CB VAL A 38 -9.754 1.770 -4.819 1.00 0.00 C ATOM 580 CG1 VAL A 38 -10.158 3.188 -4.406 1.00 0.00 C ATOM 581 CG2 VAL A 38 -8.248 1.596 -4.603 1.00 0.00 C ATOM 0 H VAL A 38 -10.459 -0.844 -5.387 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.312 0.885 -2.906 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.993 1.609 -5.870 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.613 3.912 -5.011 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.229 3.320 -4.559 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.920 3.342 -3.353 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.707 2.322 -5.209 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.011 1.753 -3.551 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.953 0.588 -4.895 1.00 0.00 H new ATOM 591 N LYS A 39 -12.752 1.295 -3.140 1.00 0.00 N ATOM 592 CA LYS A 39 -14.231 1.452 -3.280 1.00 0.00 C ATOM 593 C LYS A 39 -14.733 2.661 -2.477 1.00 0.00 C ATOM 594 O LYS A 39 -14.621 2.686 -1.266 1.00 0.00 O ATOM 595 CB LYS A 39 -14.819 0.154 -2.719 1.00 0.00 C ATOM 596 CG LYS A 39 -15.391 -0.686 -3.863 1.00 0.00 C ATOM 597 CD LYS A 39 -16.209 -1.850 -3.291 1.00 0.00 C ATOM 598 CE LYS A 39 -15.459 -3.169 -3.512 1.00 0.00 C ATOM 599 NZ LYS A 39 -15.839 -3.615 -4.885 1.00 0.00 N ATOM 0 H LYS A 39 -12.378 1.508 -2.215 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.525 1.626 -4.315 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.048 -0.408 -2.191 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.601 0.380 -1.994 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.020 -0.067 -4.502 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.582 -1.069 -4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.385 -1.695 -2.227 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -17.186 -1.891 -3.773 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.381 -3.027 -3.429 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.741 -3.911 -2.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -15.361 -4.513 -5.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.869 -3.750 -4.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.552 -2.893 -5.576 1.00 0.00 H new ATOM 613 N PRO A 40 -15.282 3.623 -3.183 1.00 0.00 N ATOM 614 CA PRO A 40 -15.818 4.837 -2.520 1.00 0.00 C ATOM 615 C PRO A 40 -17.173 4.532 -1.869 1.00 0.00 C ATOM 616 O PRO A 40 -17.858 3.601 -2.250 1.00 0.00 O ATOM 617 CB PRO A 40 -15.979 5.833 -3.663 1.00 0.00 C ATOM 618 CG PRO A 40 -16.135 4.997 -4.896 1.00 0.00 C ATOM 619 CD PRO A 40 -15.448 3.676 -4.643 1.00 0.00 C ATOM 0 HA PRO A 40 -15.172 5.211 -1.726 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -16.848 6.472 -3.508 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -15.111 6.488 -3.739 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -17.190 4.843 -5.123 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -15.694 5.499 -5.757 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -16.047 2.841 -5.005 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -14.487 3.624 -5.154 1.00 0.00 H new ATOM 627 N TYR A 41 -17.565 5.314 -0.894 1.00 0.00 N ATOM 628 CA TYR A 41 -18.874 5.075 -0.220 1.00 0.00 C ATOM 629 C TYR A 41 -19.658 6.381 -0.119 1.00 0.00 C ATOM 630 O TYR A 41 -19.306 7.381 -0.719 1.00 0.00 O ATOM 631 CB TYR A 41 -18.528 4.548 1.176 1.00 0.00 C ATOM 632 CG TYR A 41 -17.822 3.212 1.068 1.00 0.00 C ATOM 633 CD1 TYR A 41 -18.444 2.141 0.412 1.00 0.00 C ATOM 634 CD2 TYR A 41 -16.550 3.044 1.627 1.00 0.00 C ATOM 635 CE1 TYR A 41 -17.792 0.906 0.313 1.00 0.00 C ATOM 636 CE2 TYR A 41 -15.899 1.808 1.528 1.00 0.00 C ATOM 637 CZ TYR A 41 -16.518 0.739 0.871 1.00 0.00 C ATOM 638 OH TYR A 41 -15.869 -0.479 0.775 1.00 0.00 O ATOM 0 H TYR A 41 -17.033 6.108 -0.537 1.00 0.00 H new ATOM 0 HA TYR A 41 -19.494 4.369 -0.773 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -17.891 5.264 1.696 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -19.437 4.441 1.768 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -19.427 2.268 -0.017 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -16.070 3.868 2.135 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -18.272 0.082 -0.194 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -14.917 1.680 1.960 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.995 -0.420 1.215 1.00 0.00 H new ATOM 648 N LEU A 42 -20.721 6.373 0.635 1.00 0.00 N ATOM 649 CA LEU A 42 -21.545 7.605 0.782 1.00 0.00 C ATOM 650 C LEU A 42 -22.004 7.789 2.232 1.00 0.00 C ATOM 651 O LEU A 42 -22.303 6.838 2.931 1.00 0.00 O ATOM 652 CB LEU A 42 -22.749 7.394 -0.138 1.00 0.00 C ATOM 653 CG LEU A 42 -23.212 8.744 -0.692 1.00 0.00 C ATOM 654 CD1 LEU A 42 -22.260 9.198 -1.800 1.00 0.00 C ATOM 655 CD2 LEU A 42 -24.625 8.602 -1.262 1.00 0.00 C ATOM 0 H LEU A 42 -21.056 5.564 1.158 1.00 0.00 H new ATOM 0 HA LEU A 42 -20.980 8.500 0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -22.482 6.726 -0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -23.561 6.917 0.411 1.00 0.00 H new ATOM 0 HG LEU A 42 -23.213 9.483 0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -22.591 10.159 -2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -21.253 9.299 -1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -22.257 8.460 -2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -24.956 9.562 -1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -24.622 7.862 -2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -25.305 8.280 -0.473 1.00 0.00 H new ATOM 667 N LYS A 43 -22.068 9.016 2.670 1.00 0.00 N ATOM 668 CA LYS A 43 -22.513 9.316 4.060 1.00 0.00 C ATOM 669 C LYS A 43 -23.827 10.102 4.013 1.00 0.00 C ATOM 670 O LYS A 43 -24.324 10.416 2.945 1.00 0.00 O ATOM 671 CB LYS A 43 -21.389 10.173 4.653 1.00 0.00 C ATOM 672 CG LYS A 43 -21.253 9.887 6.153 1.00 0.00 C ATOM 673 CD LYS A 43 -20.005 9.036 6.403 1.00 0.00 C ATOM 674 CE LYS A 43 -19.638 9.088 7.890 1.00 0.00 C ATOM 675 NZ LYS A 43 -18.569 8.064 8.067 1.00 0.00 N ATOM 0 H LYS A 43 -21.827 9.837 2.114 1.00 0.00 H new ATOM 0 HA LYS A 43 -22.692 8.420 4.654 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -20.449 9.957 4.146 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -21.602 11.230 4.493 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -21.184 10.823 6.707 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.139 9.366 6.516 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -20.188 8.005 6.099 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -19.175 9.404 5.800 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -19.284 10.079 8.173 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -20.502 8.867 8.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -18.269 8.044 9.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -18.936 7.129 7.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -17.756 8.304 7.465 1.00 0.00 H new ATOM 689 N ARG A 44 -24.389 10.414 5.159 1.00 0.00 N ATOM 690 CA ARG A 44 -25.681 11.180 5.206 1.00 0.00 C ATOM 691 C ARG A 44 -25.702 12.299 4.154 1.00 0.00 C ATOM 692 O ARG A 44 -26.708 12.536 3.514 1.00 0.00 O ATOM 693 CB ARG A 44 -25.744 11.773 6.617 1.00 0.00 C ATOM 694 CG ARG A 44 -26.480 10.805 7.548 1.00 0.00 C ATOM 695 CD ARG A 44 -25.470 10.084 8.447 1.00 0.00 C ATOM 696 NE ARG A 44 -25.727 10.610 9.818 1.00 0.00 N ATOM 697 CZ ARG A 44 -26.372 9.880 10.690 1.00 0.00 C ATOM 698 NH1 ARG A 44 -27.677 9.804 10.639 1.00 0.00 N ATOM 699 NH2 ARG A 44 -25.711 9.228 11.610 1.00 0.00 N ATOM 0 H ARG A 44 -24.005 10.169 6.072 1.00 0.00 H new ATOM 0 HA ARG A 44 -26.534 10.538 4.989 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -24.737 11.958 6.990 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -26.257 12.734 6.596 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -27.201 11.349 8.158 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -27.043 10.079 6.962 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -25.607 9.003 8.407 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -24.446 10.287 8.132 1.00 0.00 H new ATOM 0 HE ARG A 44 -25.399 11.541 10.076 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -28.190 10.314 9.920 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -28.182 9.235 11.319 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -24.694 9.289 11.647 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -26.213 8.658 12.291 1.00 0.00 H new ATOM 713 N PHE A 45 -24.595 12.973 3.965 1.00 0.00 N ATOM 714 CA PHE A 45 -24.536 14.065 2.948 1.00 0.00 C ATOM 715 C PHE A 45 -23.081 14.309 2.514 1.00 0.00 C ATOM 716 O PHE A 45 -22.622 15.435 2.461 1.00 0.00 O ATOM 717 CB PHE A 45 -25.111 15.299 3.656 1.00 0.00 C ATOM 718 CG PHE A 45 -25.726 16.231 2.637 1.00 0.00 C ATOM 719 CD1 PHE A 45 -27.009 15.974 2.137 1.00 0.00 C ATOM 720 CD2 PHE A 45 -25.015 17.353 2.192 1.00 0.00 C ATOM 721 CE1 PHE A 45 -27.579 16.839 1.194 1.00 0.00 C ATOM 722 CE2 PHE A 45 -25.584 18.216 1.249 1.00 0.00 C ATOM 723 CZ PHE A 45 -26.867 17.960 0.750 1.00 0.00 C ATOM 0 H PHE A 45 -23.726 12.812 4.474 1.00 0.00 H new ATOM 0 HA PHE A 45 -25.095 13.822 2.044 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -25.862 14.995 4.385 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -24.324 15.814 4.206 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -27.559 15.109 2.478 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -24.026 17.552 2.577 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -28.568 16.641 0.809 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -25.034 19.080 0.906 1.00 0.00 H new ATOM 0 HZ PHE A 45 -27.307 18.627 0.023 1.00 0.00 H new ATOM 733 N GLN A 46 -22.348 13.261 2.206 1.00 0.00 N ATOM 734 CA GLN A 46 -20.922 13.446 1.781 1.00 0.00 C ATOM 735 C GLN A 46 -20.380 12.195 1.073 1.00 0.00 C ATOM 736 O GLN A 46 -20.775 11.083 1.363 1.00 0.00 O ATOM 737 CB GLN A 46 -20.148 13.687 3.082 1.00 0.00 C ATOM 738 CG GLN A 46 -19.497 15.073 3.048 1.00 0.00 C ATOM 739 CD GLN A 46 -18.272 15.042 2.128 1.00 0.00 C ATOM 740 OE1 GLN A 46 -18.251 15.700 1.106 1.00 0.00 O ATOM 741 NE2 GLN A 46 -17.245 14.302 2.449 1.00 0.00 N ATOM 0 H GLN A 46 -22.673 12.294 2.230 1.00 0.00 H new ATOM 0 HA GLN A 46 -20.824 14.269 1.073 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -20.821 13.612 3.936 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -19.385 12.919 3.210 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -20.213 15.814 2.692 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -19.202 15.372 4.054 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -17.262 13.750 3.306 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -16.425 14.276 1.842 1.00 0.00 H new ATOM 750 N VAL A 47 -19.459 12.378 0.158 1.00 0.00 N ATOM 751 CA VAL A 47 -18.859 11.210 -0.565 1.00 0.00 C ATOM 752 C VAL A 47 -17.517 10.852 0.084 1.00 0.00 C ATOM 753 O VAL A 47 -16.729 11.722 0.412 1.00 0.00 O ATOM 754 CB VAL A 47 -18.653 11.687 -2.010 1.00 0.00 C ATOM 755 CG1 VAL A 47 -17.870 10.631 -2.797 1.00 0.00 C ATOM 756 CG2 VAL A 47 -20.016 11.906 -2.677 1.00 0.00 C ATOM 0 H VAL A 47 -19.095 13.289 -0.121 1.00 0.00 H new ATOM 0 HA VAL A 47 -19.491 10.322 -0.528 1.00 0.00 H new ATOM 0 HB VAL A 47 -18.094 12.623 -2.002 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -17.726 10.973 -3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -16.899 10.473 -2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -18.427 9.694 -2.802 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -19.869 12.245 -3.703 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -20.574 10.970 -2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -20.575 12.660 -2.123 1.00 0.00 H new ATOM 766 N TYR A 48 -17.253 9.586 0.281 1.00 0.00 N ATOM 767 CA TYR A 48 -15.965 9.181 0.920 1.00 0.00 C ATOM 768 C TYR A 48 -15.203 8.193 0.029 1.00 0.00 C ATOM 769 O TYR A 48 -15.771 7.553 -0.836 1.00 0.00 O ATOM 770 CB TYR A 48 -16.368 8.515 2.238 1.00 0.00 C ATOM 771 CG TYR A 48 -16.486 9.562 3.321 1.00 0.00 C ATOM 772 CD1 TYR A 48 -15.358 9.926 4.068 1.00 0.00 C ATOM 773 CD2 TYR A 48 -17.722 10.170 3.577 1.00 0.00 C ATOM 774 CE1 TYR A 48 -15.469 10.896 5.072 1.00 0.00 C ATOM 775 CE2 TYR A 48 -17.830 11.139 4.580 1.00 0.00 C ATOM 776 CZ TYR A 48 -16.704 11.503 5.327 1.00 0.00 C ATOM 777 OH TYR A 48 -16.813 12.458 6.316 1.00 0.00 O ATOM 0 H TYR A 48 -17.872 8.816 0.028 1.00 0.00 H new ATOM 0 HA TYR A 48 -15.303 10.033 1.076 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -17.317 7.993 2.118 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -15.627 7.767 2.521 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.404 9.459 3.870 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -18.591 9.891 3.000 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -14.601 11.176 5.650 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -18.783 11.607 4.778 1.00 0.00 H new ATOM 0 HH TYR A 48 -17.738 12.778 6.361 1.00 0.00 H new ATOM 787 N TYR A 49 -13.918 8.064 0.242 1.00 0.00 N ATOM 788 CA TYR A 49 -13.105 7.116 -0.579 1.00 0.00 C ATOM 789 C TYR A 49 -12.373 6.127 0.333 1.00 0.00 C ATOM 790 O TYR A 49 -11.746 6.512 1.302 1.00 0.00 O ATOM 791 CB TYR A 49 -12.109 7.996 -1.337 1.00 0.00 C ATOM 792 CG TYR A 49 -12.463 8.017 -2.805 1.00 0.00 C ATOM 793 CD1 TYR A 49 -13.535 8.797 -3.257 1.00 0.00 C ATOM 794 CD2 TYR A 49 -11.715 7.261 -3.715 1.00 0.00 C ATOM 795 CE1 TYR A 49 -13.861 8.819 -4.617 1.00 0.00 C ATOM 796 CE2 TYR A 49 -12.040 7.283 -5.077 1.00 0.00 C ATOM 797 CZ TYR A 49 -13.113 8.062 -5.527 1.00 0.00 C ATOM 798 OH TYR A 49 -13.432 8.087 -6.869 1.00 0.00 O ATOM 0 H TYR A 49 -13.395 8.577 0.952 1.00 0.00 H new ATOM 0 HA TYR A 49 -13.718 6.525 -1.260 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -12.124 9.009 -0.935 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.097 7.615 -1.203 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -14.110 9.382 -2.555 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -10.887 6.661 -3.367 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -14.689 9.419 -4.965 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.464 6.700 -5.780 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.815 7.508 -7.363 1.00 0.00 H new ATOM 808 N LYS A 50 -12.449 4.857 0.030 1.00 0.00 N ATOM 809 CA LYS A 50 -11.762 3.837 0.879 1.00 0.00 C ATOM 810 C LYS A 50 -11.037 2.812 0.004 1.00 0.00 C ATOM 811 O LYS A 50 -11.373 2.620 -1.149 1.00 0.00 O ATOM 812 CB LYS A 50 -12.883 3.163 1.670 1.00 0.00 C ATOM 813 CG LYS A 50 -12.292 2.380 2.845 1.00 0.00 C ATOM 814 CD LYS A 50 -13.191 2.543 4.075 1.00 0.00 C ATOM 815 CE LYS A 50 -13.875 1.209 4.396 1.00 0.00 C ATOM 816 NZ LYS A 50 -15.190 1.576 5.000 1.00 0.00 N ATOM 0 H LYS A 50 -12.958 4.481 -0.770 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.010 4.284 1.529 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.583 3.913 2.037 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.446 2.492 1.021 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.203 1.325 2.584 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.287 2.740 3.066 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.599 2.874 4.929 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.941 3.312 3.890 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.009 0.609 3.496 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.276 0.616 5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.527 0.795 5.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.079 2.433 5.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.881 1.757 4.244 1.00 0.00 H new ATOM 830 N GLY A 51 -10.047 2.155 0.545 1.00 0.00 N ATOM 831 CA GLY A 51 -9.301 1.140 -0.250 1.00 0.00 C ATOM 832 C GLY A 51 -8.725 0.066 0.673 1.00 0.00 C ATOM 833 O GLY A 51 -8.370 0.329 1.809 1.00 0.00 O ATOM 0 H GLY A 51 -9.723 2.278 1.504 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.965 0.682 -0.983 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.497 1.622 -0.806 1.00 0.00 H new ATOM 837 N ARG A 52 -8.638 -1.145 0.186 1.00 0.00 N ATOM 838 CA ARG A 52 -8.095 -2.266 1.008 1.00 0.00 C ATOM 839 C ARG A 52 -7.230 -3.185 0.137 1.00 0.00 C ATOM 840 O ARG A 52 -7.510 -3.384 -1.030 1.00 0.00 O ATOM 841 CB ARG A 52 -9.333 -3.019 1.502 1.00 0.00 C ATOM 842 CG ARG A 52 -9.475 -2.846 3.015 1.00 0.00 C ATOM 843 CD ARG A 52 -9.657 -4.217 3.672 1.00 0.00 C ATOM 844 NE ARG A 52 -11.110 -4.300 3.997 1.00 0.00 N ATOM 845 CZ ARG A 52 -11.492 -4.451 5.239 1.00 0.00 C ATOM 846 NH1 ARG A 52 -11.336 -3.473 6.094 1.00 0.00 N ATOM 847 NH2 ARG A 52 -12.021 -5.582 5.626 1.00 0.00 N ATOM 0 H ARG A 52 -8.924 -1.407 -0.757 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.468 -1.916 1.828 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.224 -2.643 0.999 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.249 -4.077 1.254 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.592 -2.352 3.419 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.329 -2.207 3.240 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.357 -5.020 2.999 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.046 -4.308 4.570 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.805 -4.239 3.252 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.917 -2.594 5.792 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.634 -3.590 7.063 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.136 -6.346 4.960 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.319 -5.701 6.594 1.00 0.00 H new ATOM 861 N MET A 53 -6.183 -3.747 0.686 1.00 0.00 N ATOM 862 CA MET A 53 -5.315 -4.651 -0.129 1.00 0.00 C ATOM 863 C MET A 53 -4.784 -5.817 0.717 1.00 0.00 C ATOM 864 O MET A 53 -4.616 -5.707 1.919 1.00 0.00 O ATOM 865 CB MET A 53 -4.170 -3.767 -0.641 1.00 0.00 C ATOM 866 CG MET A 53 -3.204 -3.413 0.496 1.00 0.00 C ATOM 867 SD MET A 53 -1.501 -3.533 -0.107 1.00 0.00 S ATOM 868 CE MET A 53 -1.409 -5.340 -0.170 1.00 0.00 C ATOM 0 H MET A 53 -5.893 -3.621 1.656 1.00 0.00 H new ATOM 0 HA MET A 53 -5.867 -5.106 -0.952 1.00 0.00 H new ATOM 0 HB2 MET A 53 -3.631 -4.286 -1.434 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.576 -2.854 -1.076 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.404 -2.404 0.858 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.352 -4.089 1.338 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.367 -5.648 -0.261 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.833 -5.758 0.743 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.971 -5.703 -1.030 1.00 0.00 H new ATOM 878 N TRP A 54 -4.517 -6.932 0.084 1.00 0.00 N ATOM 879 CA TRP A 54 -3.989 -8.125 0.820 1.00 0.00 C ATOM 880 C TRP A 54 -3.216 -9.040 -0.135 1.00 0.00 C ATOM 881 O TRP A 54 -3.496 -9.094 -1.317 1.00 0.00 O ATOM 882 CB TRP A 54 -5.222 -8.837 1.399 1.00 0.00 C ATOM 883 CG TRP A 54 -6.136 -9.294 0.301 1.00 0.00 C ATOM 884 CD1 TRP A 54 -6.098 -10.512 -0.290 1.00 0.00 C ATOM 885 CD2 TRP A 54 -7.221 -8.563 -0.341 1.00 0.00 C ATOM 886 NE1 TRP A 54 -7.093 -10.575 -1.249 1.00 0.00 N ATOM 887 CE2 TRP A 54 -7.811 -9.398 -1.318 1.00 0.00 C ATOM 888 CE3 TRP A 54 -7.746 -7.269 -0.170 1.00 0.00 C ATOM 889 CZ2 TRP A 54 -8.884 -8.965 -2.099 1.00 0.00 C ATOM 890 CZ3 TRP A 54 -8.825 -6.830 -0.955 1.00 0.00 C ATOM 891 CH2 TRP A 54 -9.392 -7.676 -1.917 1.00 0.00 C ATOM 0 H TRP A 54 -4.643 -7.069 -0.919 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.293 -7.842 1.610 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.907 -9.693 1.996 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.757 -8.162 2.067 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.404 -11.305 -0.052 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -7.274 -11.391 -1.833 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -7.317 -6.609 0.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -9.318 -9.621 -2.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -9.220 -5.834 -0.816 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -10.221 -7.332 -2.518 1.00 0.00 H new ATOM 902 N CYS A 55 -2.236 -9.755 0.365 1.00 0.00 N ATOM 903 CA CYS A 55 -1.440 -10.657 -0.522 1.00 0.00 C ATOM 904 C CYS A 55 -1.670 -12.130 -0.156 1.00 0.00 C ATOM 905 O CYS A 55 -0.963 -12.680 0.668 1.00 0.00 O ATOM 906 CB CYS A 55 0.021 -10.265 -0.287 1.00 0.00 C ATOM 907 SG CYS A 55 0.316 -8.602 -0.938 1.00 0.00 S ATOM 0 H CYS A 55 -1.955 -9.752 1.346 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.729 -10.551 -1.568 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.249 -10.295 0.778 1.00 0.00 H new ATOM 0 HB3 CYS A 55 0.683 -10.980 -0.775 1.00 0.00 H new ATOM 912 N PRO A 56 -2.654 -12.724 -0.792 1.00 0.00 N ATOM 913 CA PRO A 56 -2.971 -14.150 -0.539 1.00 0.00 C ATOM 914 C PRO A 56 -1.978 -15.053 -1.288 1.00 0.00 C ATOM 915 O PRO A 56 -2.237 -15.503 -2.390 1.00 0.00 O ATOM 916 CB PRO A 56 -4.388 -14.303 -1.086 1.00 0.00 C ATOM 917 CG PRO A 56 -4.537 -13.227 -2.118 1.00 0.00 C ATOM 918 CD PRO A 56 -3.552 -12.131 -1.791 1.00 0.00 C ATOM 0 HA PRO A 56 -2.900 -14.433 0.511 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.535 -15.290 -1.524 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.129 -14.192 -0.294 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.347 -13.625 -3.115 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.555 -12.837 -2.119 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.004 -11.814 -2.678 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.057 -11.249 -1.396 1.00 0.00 H new ATOM 926 N GLY A 57 -0.841 -15.310 -0.693 1.00 0.00 N ATOM 927 CA GLY A 57 0.181 -16.172 -1.355 1.00 0.00 C ATOM 928 C GLY A 57 1.558 -15.911 -0.735 1.00 0.00 C ATOM 929 O GLY A 57 2.274 -16.831 -0.393 1.00 0.00 O ATOM 0 H GLY A 57 -0.577 -14.958 0.227 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.086 -17.222 -1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.208 -15.964 -2.425 1.00 0.00 H new ATOM 933 N TRP A 58 1.930 -14.663 -0.586 1.00 0.00 N ATOM 934 CA TRP A 58 3.261 -14.339 0.014 1.00 0.00 C ATOM 935 C TRP A 58 3.218 -14.516 1.534 1.00 0.00 C ATOM 936 O TRP A 58 4.020 -15.230 2.107 1.00 0.00 O ATOM 937 CB TRP A 58 3.522 -12.871 -0.347 1.00 0.00 C ATOM 938 CG TRP A 58 4.895 -12.468 0.100 1.00 0.00 C ATOM 939 CD1 TRP A 58 5.976 -13.283 0.145 1.00 0.00 C ATOM 940 CD2 TRP A 58 5.350 -11.163 0.565 1.00 0.00 C ATOM 941 NE1 TRP A 58 7.062 -12.562 0.606 1.00 0.00 N ATOM 942 CE2 TRP A 58 6.727 -11.250 0.878 1.00 0.00 C ATOM 943 CE3 TRP A 58 4.707 -9.925 0.744 1.00 0.00 C ATOM 944 CZ2 TRP A 58 7.441 -10.148 1.350 1.00 0.00 C ATOM 945 CZ3 TRP A 58 5.423 -8.813 1.219 1.00 0.00 C ATOM 946 CH2 TRP A 58 6.788 -8.926 1.521 1.00 0.00 C ATOM 0 H TRP A 58 1.369 -13.855 -0.854 1.00 0.00 H new ATOM 0 HA TRP A 58 4.047 -14.995 -0.360 1.00 0.00 H new ATOM 0 HB2 TRP A 58 3.425 -12.730 -1.424 1.00 0.00 H new ATOM 0 HB3 TRP A 58 2.775 -12.234 0.126 1.00 0.00 H new ATOM 0 HD1 TRP A 58 5.988 -14.326 -0.134 1.00 0.00 H new ATOM 0 HE1 TRP A 58 7.996 -12.952 0.730 1.00 0.00 H new ATOM 0 HE3 TRP A 58 3.656 -9.828 0.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 8.492 -10.240 1.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 4.920 -7.867 1.352 1.00 0.00 H new ATOM 0 HH2 TRP A 58 7.334 -8.068 1.886 1.00 0.00 H new ATOM 957 N THR A 59 2.292 -13.865 2.188 1.00 0.00 N ATOM 958 CA THR A 59 2.190 -13.981 3.670 1.00 0.00 C ATOM 959 C THR A 59 0.745 -13.711 4.121 1.00 0.00 C ATOM 960 O THR A 59 -0.180 -13.773 3.333 1.00 0.00 O ATOM 961 CB THR A 59 3.160 -12.918 4.215 1.00 0.00 C ATOM 962 OG1 THR A 59 3.143 -12.939 5.636 1.00 0.00 O ATOM 963 CG2 THR A 59 2.752 -11.527 3.718 1.00 0.00 C ATOM 0 H THR A 59 1.599 -13.255 1.755 1.00 0.00 H new ATOM 0 HA THR A 59 2.444 -14.976 4.036 1.00 0.00 H new ATOM 0 HB THR A 59 4.166 -13.142 3.859 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.821 -13.568 5.962 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.445 -10.783 4.110 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.777 -11.508 2.628 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.743 -11.299 4.062 1.00 0.00 H new ATOM 971 N ALA A 60 0.552 -13.415 5.379 1.00 0.00 N ATOM 972 CA ALA A 60 -0.824 -13.143 5.890 1.00 0.00 C ATOM 973 C ALA A 60 -0.916 -11.708 6.428 1.00 0.00 C ATOM 974 O ALA A 60 -1.407 -11.472 7.517 1.00 0.00 O ATOM 975 CB ALA A 60 -1.038 -14.161 7.014 1.00 0.00 C ATOM 0 H ALA A 60 1.292 -13.350 6.078 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.581 -13.235 5.112 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.031 -14.026 7.443 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.951 -15.170 6.612 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.285 -14.012 7.788 1.00 0.00 H new ATOM 981 N ILE A 61 -0.451 -10.748 5.667 1.00 0.00 N ATOM 982 CA ILE A 61 -0.512 -9.325 6.122 1.00 0.00 C ATOM 983 C ILE A 61 -1.377 -8.506 5.155 1.00 0.00 C ATOM 984 O ILE A 61 -1.406 -8.765 3.964 1.00 0.00 O ATOM 985 CB ILE A 61 0.942 -8.830 6.107 1.00 0.00 C ATOM 986 CG1 ILE A 61 1.774 -9.650 7.104 1.00 0.00 C ATOM 987 CG2 ILE A 61 0.985 -7.349 6.503 1.00 0.00 C ATOM 988 CD1 ILE A 61 3.189 -9.071 7.203 1.00 0.00 C ATOM 0 H ILE A 61 -0.031 -10.889 4.748 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.956 -9.225 7.112 1.00 0.00 H new ATOM 0 HB ILE A 61 1.354 -8.950 5.105 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.298 -9.639 8.084 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.819 -10.691 6.784 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.017 -6.999 6.492 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.397 -6.766 5.795 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.572 -7.228 7.504 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.773 -9.658 7.912 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.666 -9.106 6.223 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.136 -8.037 7.544 1.00 0.00 H new ATOM 1000 N ARG A 62 -2.082 -7.523 5.656 1.00 0.00 N ATOM 1001 CA ARG A 62 -2.944 -6.689 4.766 1.00 0.00 C ATOM 1002 C ARG A 62 -2.819 -5.206 5.116 1.00 0.00 C ATOM 1003 O ARG A 62 -2.374 -4.843 6.190 1.00 0.00 O ATOM 1004 CB ARG A 62 -4.388 -7.171 4.981 1.00 0.00 C ATOM 1005 CG ARG A 62 -4.620 -7.564 6.447 1.00 0.00 C ATOM 1006 CD ARG A 62 -6.126 -7.687 6.715 1.00 0.00 C ATOM 1007 NE ARG A 62 -6.377 -9.150 6.877 1.00 0.00 N ATOM 1008 CZ ARG A 62 -6.797 -9.624 8.022 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -5.936 -9.908 8.964 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -8.075 -9.815 8.220 1.00 0.00 N ATOM 0 H ARG A 62 -2.098 -7.263 6.642 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.641 -6.795 3.724 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.085 -6.383 4.697 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.591 -8.025 4.335 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.123 -8.510 6.663 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.183 -6.816 7.108 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.413 -7.137 7.611 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.708 -7.277 5.889 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.220 -9.782 6.092 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.939 -9.760 8.805 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.261 -10.278 9.857 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.744 -9.595 7.482 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.403 -10.184 9.112 1.00 0.00 H new ATOM 1024 N GLY A 63 -3.215 -4.350 4.206 1.00 0.00 N ATOM 1025 CA GLY A 63 -3.130 -2.881 4.460 1.00 0.00 C ATOM 1026 C GLY A 63 -4.422 -2.201 4.006 1.00 0.00 C ATOM 1027 O GLY A 63 -4.907 -2.427 2.912 1.00 0.00 O ATOM 0 H GLY A 63 -3.595 -4.608 3.295 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.964 -2.695 5.521 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.279 -2.459 3.926 1.00 0.00 H new ATOM 1031 N GLU A 64 -4.980 -1.367 4.845 1.00 0.00 N ATOM 1032 CA GLU A 64 -6.242 -0.656 4.486 1.00 0.00 C ATOM 1033 C GLU A 64 -6.060 0.854 4.668 1.00 0.00 C ATOM 1034 O GLU A 64 -5.176 1.299 5.374 1.00 0.00 O ATOM 1035 CB GLU A 64 -7.297 -1.175 5.468 1.00 0.00 C ATOM 1036 CG GLU A 64 -7.341 -2.713 5.447 1.00 0.00 C ATOM 1037 CD GLU A 64 -6.305 -3.300 6.418 1.00 0.00 C ATOM 1038 OE1 GLU A 64 -6.123 -2.737 7.489 1.00 0.00 O ATOM 1039 OE2 GLU A 64 -5.713 -4.309 6.072 1.00 0.00 O ATOM 0 H GLU A 64 -4.612 -1.147 5.770 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.528 -0.833 3.449 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.069 -0.825 6.475 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.276 -0.773 5.205 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.339 -3.057 5.720 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.145 -3.073 4.437 1.00 0.00 H new ATOM 1046 N ALA A 65 -6.895 1.643 4.042 1.00 0.00 N ATOM 1047 CA ALA A 65 -6.773 3.131 4.186 1.00 0.00 C ATOM 1048 C ALA A 65 -7.964 3.850 3.540 1.00 0.00 C ATOM 1049 O ALA A 65 -8.565 3.359 2.602 1.00 0.00 O ATOM 1050 CB ALA A 65 -5.481 3.499 3.459 1.00 0.00 C ATOM 0 H ALA A 65 -7.654 1.326 3.439 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.760 3.429 5.234 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.323 4.576 3.521 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.642 2.982 3.924 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.555 3.203 2.413 1.00 0.00 H new ATOM 1056 N SER A 66 -8.298 5.020 4.032 1.00 0.00 N ATOM 1057 CA SER A 66 -9.443 5.792 3.450 1.00 0.00 C ATOM 1058 C SER A 66 -9.136 7.295 3.481 1.00 0.00 C ATOM 1059 O SER A 66 -8.531 7.792 4.413 1.00 0.00 O ATOM 1060 CB SER A 66 -10.657 5.484 4.333 1.00 0.00 C ATOM 1061 OG SER A 66 -10.575 4.155 4.838 1.00 0.00 O ATOM 0 H SER A 66 -7.826 5.475 4.813 1.00 0.00 H new ATOM 0 HA SER A 66 -9.624 5.514 2.412 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.703 6.193 5.160 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.575 5.606 3.757 1.00 0.00 H new ATOM 0 HG SER A 66 -10.872 4.141 5.772 1.00 0.00 H new ATOM 1067 N THR A 67 -9.555 8.019 2.472 1.00 0.00 N ATOM 1068 CA THR A 67 -9.300 9.498 2.436 1.00 0.00 C ATOM 1069 C THR A 67 -10.031 10.137 1.244 1.00 0.00 C ATOM 1070 O THR A 67 -10.322 9.483 0.263 1.00 0.00 O ATOM 1071 CB THR A 67 -7.775 9.656 2.292 1.00 0.00 C ATOM 1072 OG1 THR A 67 -7.423 11.019 2.486 1.00 0.00 O ATOM 1073 CG2 THR A 67 -7.322 9.208 0.900 1.00 0.00 C ATOM 0 H THR A 67 -10.064 7.651 1.669 1.00 0.00 H new ATOM 0 HA THR A 67 -9.667 9.994 3.334 1.00 0.00 H new ATOM 0 HB THR A 67 -7.283 9.035 3.040 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.453 11.122 2.397 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.242 9.326 0.814 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.586 8.161 0.751 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.815 9.818 0.143 1.00 0.00 H new ATOM 1081 N ARG A 68 -10.329 11.412 1.332 1.00 0.00 N ATOM 1082 CA ARG A 68 -11.048 12.108 0.215 1.00 0.00 C ATOM 1083 C ARG A 68 -10.275 11.992 -1.108 1.00 0.00 C ATOM 1084 O ARG A 68 -10.868 11.882 -2.166 1.00 0.00 O ATOM 1085 CB ARG A 68 -11.143 13.576 0.648 1.00 0.00 C ATOM 1086 CG ARG A 68 -12.574 13.888 1.097 1.00 0.00 C ATOM 1087 CD ARG A 68 -13.379 14.436 -0.089 1.00 0.00 C ATOM 1088 NE ARG A 68 -13.219 15.918 -0.021 1.00 0.00 N ATOM 1089 CZ ARG A 68 -13.576 16.662 -1.035 1.00 0.00 C ATOM 1090 NH1 ARG A 68 -14.798 17.124 -1.107 1.00 0.00 N ATOM 1091 NH2 ARG A 68 -12.712 16.944 -1.975 1.00 0.00 N ATOM 0 H ARG A 68 -10.105 12.003 2.132 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.027 11.664 0.038 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.445 13.771 1.462 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.860 14.228 -0.178 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -13.048 12.987 1.486 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -12.561 14.616 1.908 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -13.004 14.043 -1.034 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.428 14.150 -0.018 1.00 0.00 H new ATOM 0 HE ARG A 68 -12.831 16.351 0.817 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -15.471 16.904 -0.373 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -15.078 17.705 -1.898 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.760 16.584 -1.917 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.990 17.524 -2.766 1.00 0.00 H new ATOM 1105 N SER A 69 -8.965 12.024 -1.061 1.00 0.00 N ATOM 1106 CA SER A 69 -8.164 11.923 -2.324 1.00 0.00 C ATOM 1107 C SER A 69 -8.417 10.574 -3.010 1.00 0.00 C ATOM 1108 O SER A 69 -8.435 9.536 -2.372 1.00 0.00 O ATOM 1109 CB SER A 69 -6.690 12.033 -1.909 1.00 0.00 C ATOM 1110 OG SER A 69 -6.583 12.672 -0.641 1.00 0.00 O ATOM 0 H SER A 69 -8.416 12.115 -0.206 1.00 0.00 H new ATOM 0 HA SER A 69 -8.440 12.707 -3.029 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.242 11.040 -1.863 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.135 12.599 -2.657 1.00 0.00 H new ATOM 0 HG SER A 69 -5.639 12.735 -0.385 1.00 0.00 H new ATOM 1116 N GLN A 70 -8.608 10.589 -4.305 1.00 0.00 N ATOM 1117 CA GLN A 70 -8.857 9.315 -5.049 1.00 0.00 C ATOM 1118 C GLN A 70 -7.576 8.474 -5.091 1.00 0.00 C ATOM 1119 O GLN A 70 -7.532 7.376 -4.573 1.00 0.00 O ATOM 1120 CB GLN A 70 -9.278 9.743 -6.460 1.00 0.00 C ATOM 1121 CG GLN A 70 -10.788 10.006 -6.486 1.00 0.00 C ATOM 1122 CD GLN A 70 -11.054 11.509 -6.604 1.00 0.00 C ATOM 1123 OE1 GLN A 70 -10.476 12.299 -5.882 1.00 0.00 O ATOM 1124 NE2 GLN A 70 -11.913 11.944 -7.487 1.00 0.00 N ATOM 0 H GLN A 70 -8.602 11.431 -4.881 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.623 8.702 -4.575 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.737 10.642 -6.756 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.021 8.965 -7.179 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.243 9.480 -7.326 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.249 9.616 -5.578 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.399 11.284 -8.094 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.097 12.944 -7.570 1.00 0.00 H new ATOM 1133 N SER A 71 -6.528 8.986 -5.689 1.00 0.00 N ATOM 1134 CA SER A 71 -5.245 8.220 -5.745 1.00 0.00 C ATOM 1135 C SER A 71 -4.581 8.212 -4.361 1.00 0.00 C ATOM 1136 O SER A 71 -3.869 7.288 -4.015 1.00 0.00 O ATOM 1137 CB SER A 71 -4.368 8.958 -6.758 1.00 0.00 C ATOM 1138 OG SER A 71 -3.232 8.159 -7.065 1.00 0.00 O ATOM 0 H SER A 71 -6.506 9.900 -6.140 1.00 0.00 H new ATOM 0 HA SER A 71 -5.400 7.181 -6.036 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.936 9.167 -7.665 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.052 9.919 -6.351 1.00 0.00 H new ATOM 0 HG SER A 71 -2.668 8.628 -7.715 1.00 0.00 H new ATOM 1144 N GLY A 72 -4.815 9.235 -3.568 1.00 0.00 N ATOM 1145 CA GLY A 72 -4.210 9.294 -2.203 1.00 0.00 C ATOM 1146 C GLY A 72 -4.640 8.068 -1.392 1.00 0.00 C ATOM 1147 O GLY A 72 -3.851 7.497 -0.661 1.00 0.00 O ATOM 0 H GLY A 72 -5.402 10.033 -3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.123 9.329 -2.278 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.524 10.206 -1.695 1.00 0.00 H new ATOM 1151 N VAL A 73 -5.881 7.652 -1.518 1.00 0.00 N ATOM 1152 CA VAL A 73 -6.348 6.453 -0.755 1.00 0.00 C ATOM 1153 C VAL A 73 -5.597 5.201 -1.233 1.00 0.00 C ATOM 1154 O VAL A 73 -5.281 4.324 -0.450 1.00 0.00 O ATOM 1155 CB VAL A 73 -7.863 6.344 -1.022 1.00 0.00 C ATOM 1156 CG1 VAL A 73 -8.144 5.474 -2.252 1.00 0.00 C ATOM 1157 CG2 VAL A 73 -8.543 5.717 0.197 1.00 0.00 C ATOM 0 H VAL A 73 -6.584 8.090 -2.113 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.153 6.543 0.314 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.254 7.344 -1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -9.220 5.414 -2.417 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.667 5.916 -3.127 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -7.746 4.473 -2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.615 5.637 0.015 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.130 4.724 0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.370 6.343 1.072 1.00 0.00 H new ATOM 1167 N ALA A 74 -5.299 5.119 -2.512 1.00 0.00 N ATOM 1168 CA ALA A 74 -4.561 3.931 -3.038 1.00 0.00 C ATOM 1169 C ALA A 74 -3.137 3.907 -2.476 1.00 0.00 C ATOM 1170 O ALA A 74 -2.620 2.866 -2.121 1.00 0.00 O ATOM 1171 CB ALA A 74 -4.543 4.103 -4.559 1.00 0.00 C ATOM 0 H ALA A 74 -5.536 5.824 -3.210 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.033 2.992 -2.749 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.016 3.264 -5.014 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.566 4.134 -4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.035 5.033 -4.814 1.00 0.00 H new ATOM 1177 N GLY A 75 -2.505 5.050 -2.378 1.00 0.00 N ATOM 1178 CA GLY A 75 -1.123 5.098 -1.821 1.00 0.00 C ATOM 1179 C GLY A 75 -1.173 4.775 -0.326 1.00 0.00 C ATOM 1180 O GLY A 75 -0.276 4.156 0.212 1.00 0.00 O ATOM 0 H GLY A 75 -2.889 5.952 -2.661 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.484 4.383 -2.339 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.689 6.085 -1.978 1.00 0.00 H new ATOM 1184 N LYS A 76 -2.224 5.183 0.343 1.00 0.00 N ATOM 1185 CA LYS A 76 -2.349 4.896 1.801 1.00 0.00 C ATOM 1186 C LYS A 76 -2.600 3.400 2.026 1.00 0.00 C ATOM 1187 O LYS A 76 -2.022 2.801 2.910 1.00 0.00 O ATOM 1188 CB LYS A 76 -3.546 5.726 2.274 1.00 0.00 C ATOM 1189 CG LYS A 76 -3.113 7.179 2.481 1.00 0.00 C ATOM 1190 CD LYS A 76 -2.986 7.469 3.979 1.00 0.00 C ATOM 1191 CE LYS A 76 -4.160 8.342 4.435 1.00 0.00 C ATOM 1192 NZ LYS A 76 -3.681 9.748 4.294 1.00 0.00 N ATOM 0 H LYS A 76 -3.002 5.704 -0.062 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.442 5.150 2.350 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.349 5.676 1.539 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.940 5.317 3.204 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.160 7.359 1.983 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.841 7.854 2.030 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.975 6.535 4.541 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.042 7.975 4.183 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.044 8.164 3.823 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.437 8.122 5.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -4.434 10.402 4.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.843 9.891 4.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.432 9.932 3.301 1.00 0.00 H new ATOM 1206 N THR A 77 -3.445 2.788 1.226 1.00 0.00 N ATOM 1207 CA THR A 77 -3.715 1.324 1.398 1.00 0.00 C ATOM 1208 C THR A 77 -2.419 0.535 1.164 1.00 0.00 C ATOM 1209 O THR A 77 -2.122 -0.411 1.870 1.00 0.00 O ATOM 1210 CB THR A 77 -4.773 0.975 0.338 1.00 0.00 C ATOM 1211 OG1 THR A 77 -5.979 1.685 0.603 1.00 0.00 O ATOM 1212 CG2 THR A 77 -5.059 -0.528 0.356 1.00 0.00 C ATOM 0 H THR A 77 -3.956 3.237 0.466 1.00 0.00 H new ATOM 0 HA THR A 77 -4.067 1.077 2.399 1.00 0.00 H new ATOM 0 HB THR A 77 -4.391 1.259 -0.643 1.00 0.00 H new ATOM 0 HG1 THR A 77 -5.893 2.607 0.281 1.00 0.00 H new ATOM 0 HG21 THR A 77 -5.809 -0.765 -0.398 1.00 0.00 H new ATOM 0 HG22 THR A 77 -4.142 -1.076 0.139 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.430 -0.816 1.340 1.00 0.00 H new ATOM 1220 N ALA A 78 -1.641 0.932 0.189 1.00 0.00 N ATOM 1221 CA ALA A 78 -0.357 0.225 -0.083 1.00 0.00 C ATOM 1222 C ALA A 78 0.665 0.576 1.002 1.00 0.00 C ATOM 1223 O ALA A 78 1.442 -0.257 1.428 1.00 0.00 O ATOM 1224 CB ALA A 78 0.100 0.739 -1.449 1.00 0.00 C ATOM 0 H ALA A 78 -1.842 1.717 -0.431 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.466 -0.859 -0.081 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.042 0.263 -1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.655 0.502 -2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.239 1.819 -1.403 1.00 0.00 H new ATOM 1230 N LYS A 79 0.657 1.805 1.462 1.00 0.00 N ATOM 1231 CA LYS A 79 1.614 2.215 2.532 1.00 0.00 C ATOM 1232 C LYS A 79 1.275 1.486 3.834 1.00 0.00 C ATOM 1233 O LYS A 79 2.153 1.068 4.565 1.00 0.00 O ATOM 1234 CB LYS A 79 1.422 3.727 2.692 1.00 0.00 C ATOM 1235 CG LYS A 79 2.633 4.331 3.410 1.00 0.00 C ATOM 1236 CD LYS A 79 2.330 4.469 4.905 1.00 0.00 C ATOM 1237 CE LYS A 79 2.928 5.779 5.432 1.00 0.00 C ATOM 1238 NZ LYS A 79 3.683 5.403 6.664 1.00 0.00 N ATOM 0 H LYS A 79 0.027 2.540 1.141 1.00 0.00 H new ATOM 0 HA LYS A 79 2.646 1.969 2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 79 1.298 4.193 1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 79 0.513 3.929 3.259 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.508 3.698 3.263 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.870 5.306 2.986 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.253 4.457 5.071 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.746 3.622 5.450 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.585 6.236 4.693 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.147 6.505 5.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.119 6.252 7.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.032 4.977 7.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.426 4.717 6.420 1.00 0.00 H new ATOM 1252 N ASP A 80 0.006 1.324 4.123 1.00 0.00 N ATOM 1253 CA ASP A 80 -0.397 0.611 5.372 1.00 0.00 C ATOM 1254 C ASP A 80 0.082 -0.843 5.323 1.00 0.00 C ATOM 1255 O ASP A 80 0.575 -1.372 6.303 1.00 0.00 O ATOM 1256 CB ASP A 80 -1.928 0.672 5.406 1.00 0.00 C ATOM 1257 CG ASP A 80 -2.381 1.877 6.234 1.00 0.00 C ATOM 1258 OD1 ASP A 80 -2.351 2.978 5.710 1.00 0.00 O ATOM 1259 OD2 ASP A 80 -2.756 1.674 7.377 1.00 0.00 O ATOM 0 H ASP A 80 -0.767 1.656 3.546 1.00 0.00 H new ATOM 0 HA ASP A 80 0.041 1.065 6.261 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.321 0.748 4.392 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.328 -0.247 5.835 1.00 0.00 H new ATOM 1264 N PHE A 81 -0.050 -1.490 4.190 1.00 0.00 N ATOM 1265 CA PHE A 81 0.411 -2.908 4.086 1.00 0.00 C ATOM 1266 C PHE A 81 1.935 -2.976 4.241 1.00 0.00 C ATOM 1267 O PHE A 81 2.459 -3.860 4.893 1.00 0.00 O ATOM 1268 CB PHE A 81 -0.014 -3.376 2.688 1.00 0.00 C ATOM 1269 CG PHE A 81 0.667 -4.687 2.361 1.00 0.00 C ATOM 1270 CD1 PHE A 81 0.265 -5.866 2.999 1.00 0.00 C ATOM 1271 CD2 PHE A 81 1.705 -4.718 1.420 1.00 0.00 C ATOM 1272 CE1 PHE A 81 0.900 -7.077 2.696 1.00 0.00 C ATOM 1273 CE2 PHE A 81 2.338 -5.929 1.118 1.00 0.00 C ATOM 1274 CZ PHE A 81 1.936 -7.108 1.755 1.00 0.00 C ATOM 0 H PHE A 81 -0.454 -1.100 3.339 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.019 -3.538 4.865 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.096 -3.497 2.648 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.250 -2.623 1.946 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.535 -5.842 3.725 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.016 -3.808 0.928 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.590 -7.987 3.188 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.138 -5.953 0.392 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.425 -8.042 1.521 1.00 0.00 H new ATOM 1284 N VAL A 82 2.647 -2.048 3.649 1.00 0.00 N ATOM 1285 CA VAL A 82 4.137 -2.060 3.767 1.00 0.00 C ATOM 1286 C VAL A 82 4.548 -1.794 5.220 1.00 0.00 C ATOM 1287 O VAL A 82 5.507 -2.361 5.712 1.00 0.00 O ATOM 1288 CB VAL A 82 4.635 -0.944 2.837 1.00 0.00 C ATOM 1289 CG1 VAL A 82 6.157 -0.819 2.950 1.00 0.00 C ATOM 1290 CG2 VAL A 82 4.265 -1.282 1.388 1.00 0.00 C ATOM 0 H VAL A 82 2.262 -1.286 3.091 1.00 0.00 H new ATOM 0 HA VAL A 82 4.566 -3.023 3.488 1.00 0.00 H new ATOM 0 HB VAL A 82 4.169 -0.002 3.126 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.507 -0.026 2.289 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.427 -0.579 3.978 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.622 -1.762 2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.618 -0.490 0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.731 -2.226 1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.182 -1.371 1.300 1.00 0.00 H new ATOM 1300 N ARG A 83 3.821 -0.949 5.914 1.00 0.00 N ATOM 1301 CA ARG A 83 4.162 -0.661 7.341 1.00 0.00 C ATOM 1302 C ARG A 83 3.930 -1.910 8.197 1.00 0.00 C ATOM 1303 O ARG A 83 4.718 -2.227 9.068 1.00 0.00 O ATOM 1304 CB ARG A 83 3.213 0.465 7.763 1.00 0.00 C ATOM 1305 CG ARG A 83 3.746 1.136 9.032 1.00 0.00 C ATOM 1306 CD ARG A 83 2.594 1.813 9.779 1.00 0.00 C ATOM 1307 NE ARG A 83 3.135 2.093 11.140 1.00 0.00 N ATOM 1308 CZ ARG A 83 2.545 1.601 12.195 1.00 0.00 C ATOM 1309 NH1 ARG A 83 2.591 0.316 12.430 1.00 0.00 N ATOM 1310 NH2 ARG A 83 1.911 2.396 13.017 1.00 0.00 N ATOM 0 H ARG A 83 3.009 -0.449 5.553 1.00 0.00 H new ATOM 0 HA ARG A 83 5.206 -0.376 7.467 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.123 1.198 6.962 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.215 0.065 7.942 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.223 0.395 9.674 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.507 1.872 8.774 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.284 2.731 9.280 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.719 1.165 9.827 1.00 0.00 H new ATOM 0 HE ARG A 83 3.969 2.671 11.247 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.088 -0.302 11.789 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.130 -0.068 13.255 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.878 3.399 12.833 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.449 2.013 13.842 1.00 0.00 H new ATOM 1324 N LYS A 84 2.861 -2.627 7.945 1.00 0.00 N ATOM 1325 CA LYS A 84 2.587 -3.866 8.736 1.00 0.00 C ATOM 1326 C LYS A 84 3.632 -4.937 8.405 1.00 0.00 C ATOM 1327 O LYS A 84 4.067 -5.679 9.267 1.00 0.00 O ATOM 1328 CB LYS A 84 1.190 -4.320 8.306 1.00 0.00 C ATOM 1329 CG LYS A 84 0.510 -5.056 9.465 1.00 0.00 C ATOM 1330 CD LYS A 84 -0.626 -4.194 10.027 1.00 0.00 C ATOM 1331 CE LYS A 84 -0.057 -3.164 11.010 1.00 0.00 C ATOM 1332 NZ LYS A 84 -0.870 -3.313 12.252 1.00 0.00 N ATOM 0 H LYS A 84 2.169 -2.408 7.228 1.00 0.00 H new ATOM 0 HA LYS A 84 2.637 -3.691 9.811 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.592 -3.459 8.008 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.261 -4.975 7.437 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.118 -6.013 9.121 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.237 -5.273 10.248 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.146 -3.687 9.215 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.359 -4.825 10.530 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.999 -3.350 11.207 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.134 -2.153 10.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.535 -2.638 12.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.870 -3.123 12.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.772 -4.282 12.617 1.00 0.00 H new ATOM 1346 N ALA A 85 4.045 -5.017 7.163 1.00 0.00 N ATOM 1347 CA ALA A 85 5.071 -6.031 6.776 1.00 0.00 C ATOM 1348 C ALA A 85 6.428 -5.672 7.395 1.00 0.00 C ATOM 1349 O ALA A 85 7.188 -6.540 7.786 1.00 0.00 O ATOM 1350 CB ALA A 85 5.143 -5.970 5.249 1.00 0.00 C ATOM 0 H ALA A 85 3.715 -4.423 6.402 1.00 0.00 H new ATOM 0 HA ALA A 85 4.814 -7.030 7.128 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.879 -6.690 4.890 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.166 -6.210 4.829 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.436 -4.967 4.938 1.00 0.00 H new ATOM 1356 N PHE A 86 6.731 -4.397 7.498 1.00 0.00 N ATOM 1357 CA PHE A 86 8.031 -3.980 8.108 1.00 0.00 C ATOM 1358 C PHE A 86 8.003 -4.249 9.620 1.00 0.00 C ATOM 1359 O PHE A 86 8.997 -4.631 10.208 1.00 0.00 O ATOM 1360 CB PHE A 86 8.152 -2.475 7.830 1.00 0.00 C ATOM 1361 CG PHE A 86 9.459 -2.186 7.124 1.00 0.00 C ATOM 1362 CD1 PHE A 86 10.676 -2.481 7.753 1.00 0.00 C ATOM 1363 CD2 PHE A 86 9.453 -1.619 5.843 1.00 0.00 C ATOM 1364 CE1 PHE A 86 11.885 -2.209 7.102 1.00 0.00 C ATOM 1365 CE2 PHE A 86 10.663 -1.345 5.194 1.00 0.00 C ATOM 1366 CZ PHE A 86 11.879 -1.641 5.823 1.00 0.00 C ATOM 0 H PHE A 86 6.134 -3.631 7.186 1.00 0.00 H new ATOM 0 HA PHE A 86 8.876 -4.530 7.695 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.315 -2.141 7.216 1.00 0.00 H new ATOM 0 HB3 PHE A 86 8.103 -1.918 8.766 1.00 0.00 H new ATOM 0 HD1 PHE A 86 10.681 -2.918 8.740 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.516 -1.393 5.356 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.823 -2.438 7.587 1.00 0.00 H new ATOM 0 HE2 PHE A 86 10.659 -0.905 4.208 1.00 0.00 H new ATOM 0 HZ PHE A 86 12.812 -1.431 5.321 1.00 0.00 H new ATOM 1376 N GLN A 87 6.862 -4.060 10.246 1.00 0.00 N ATOM 1377 CA GLN A 87 6.750 -4.313 11.718 1.00 0.00 C ATOM 1378 C GLN A 87 7.007 -5.796 12.028 1.00 0.00 C ATOM 1379 O GLN A 87 7.472 -6.142 13.096 1.00 0.00 O ATOM 1380 CB GLN A 87 5.309 -3.935 12.077 1.00 0.00 C ATOM 1381 CG GLN A 87 5.268 -3.311 13.476 1.00 0.00 C ATOM 1382 CD GLN A 87 3.815 -3.212 13.954 1.00 0.00 C ATOM 1383 OE1 GLN A 87 3.500 -3.603 15.061 1.00 0.00 O ATOM 1384 NE2 GLN A 87 2.906 -2.706 13.163 1.00 0.00 N ATOM 0 H GLN A 87 6.003 -3.741 9.798 1.00 0.00 H new ATOM 0 HA GLN A 87 7.480 -3.739 12.289 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.915 -3.232 11.344 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.673 -4.819 12.045 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.850 -3.916 14.172 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.723 -2.321 13.457 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.165 -2.376 12.233 1.00 0.00 H new ATOM 0 HE22 GLN A 87 1.937 -2.641 13.476 1.00 0.00 H new ATOM 1393 N LYS A 88 6.701 -6.672 11.098 1.00 0.00 N ATOM 1394 CA LYS A 88 6.920 -8.131 11.332 1.00 0.00 C ATOM 1395 C LYS A 88 8.296 -8.555 10.803 1.00 0.00 C ATOM 1396 O LYS A 88 9.100 -9.106 11.529 1.00 0.00 O ATOM 1397 CB LYS A 88 5.796 -8.831 10.558 1.00 0.00 C ATOM 1398 CG LYS A 88 4.761 -9.389 11.540 1.00 0.00 C ATOM 1399 CD LYS A 88 4.166 -8.250 12.379 1.00 0.00 C ATOM 1400 CE LYS A 88 4.599 -8.411 13.841 1.00 0.00 C ATOM 1401 NZ LYS A 88 3.595 -7.647 14.639 1.00 0.00 N ATOM 0 H LYS A 88 6.309 -6.436 10.187 1.00 0.00 H new ATOM 0 HA LYS A 88 6.901 -8.388 12.391 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.320 -8.128 9.874 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.207 -9.638 9.951 1.00 0.00 H new ATOM 0 HG2 LYS A 88 3.969 -9.902 10.994 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.228 -10.127 12.193 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.501 -7.287 11.993 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.078 -8.261 12.307 1.00 0.00 H new ATOM 0 HE2 LYS A 88 4.615 -9.461 14.132 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.605 -8.021 13.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 3.831 -7.715 15.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 3.606 -6.649 14.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.648 -8.045 14.477 1.00 0.00 H new ATOM 1415 N GLY A 89 8.574 -8.298 9.548 1.00 0.00 N ATOM 1416 CA GLY A 89 9.896 -8.681 8.975 1.00 0.00 C ATOM 1417 C GLY A 89 9.707 -9.300 7.587 1.00 0.00 C ATOM 1418 O GLY A 89 10.131 -10.411 7.335 1.00 0.00 O ATOM 0 H GLY A 89 7.938 -7.838 8.896 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.539 -7.804 8.906 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.395 -9.392 9.634 1.00 0.00 H new ATOM 1422 N LEU A 90 9.079 -8.589 6.683 1.00 0.00 N ATOM 1423 CA LEU A 90 8.867 -9.135 5.309 1.00 0.00 C ATOM 1424 C LEU A 90 9.415 -8.167 4.254 1.00 0.00 C ATOM 1425 O LEU A 90 10.107 -8.570 3.339 1.00 0.00 O ATOM 1426 CB LEU A 90 7.350 -9.292 5.159 1.00 0.00 C ATOM 1427 CG LEU A 90 6.920 -10.684 5.637 1.00 0.00 C ATOM 1428 CD1 LEU A 90 5.419 -10.860 5.409 1.00 0.00 C ATOM 1429 CD2 LEU A 90 7.676 -11.761 4.851 1.00 0.00 C ATOM 0 H LEU A 90 8.704 -7.653 6.839 1.00 0.00 H new ATOM 0 HA LEU A 90 9.387 -10.083 5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.837 -8.524 5.738 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.062 -9.151 4.117 1.00 0.00 H new ATOM 0 HG LEU A 90 7.147 -10.782 6.699 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.113 -11.849 5.749 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.874 -10.100 5.969 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.198 -10.757 4.347 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.366 -12.748 5.195 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.453 -11.661 3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.748 -11.642 5.009 1.00 0.00 H new ATOM 1441 N ILE A 91 9.117 -6.896 4.373 1.00 0.00 N ATOM 1442 CA ILE A 91 9.628 -5.909 3.377 1.00 0.00 C ATOM 1443 C ILE A 91 10.899 -5.241 3.915 1.00 0.00 C ATOM 1444 O ILE A 91 10.860 -4.495 4.875 1.00 0.00 O ATOM 1445 CB ILE A 91 8.498 -4.885 3.199 1.00 0.00 C ATOM 1446 CG1 ILE A 91 7.291 -5.570 2.547 1.00 0.00 C ATOM 1447 CG2 ILE A 91 8.977 -3.737 2.301 1.00 0.00 C ATOM 1448 CD1 ILE A 91 6.108 -4.601 2.498 1.00 0.00 C ATOM 0 H ILE A 91 8.542 -6.502 5.117 1.00 0.00 H new ATOM 0 HA ILE A 91 9.891 -6.374 2.427 1.00 0.00 H new ATOM 0 HB ILE A 91 8.214 -4.487 4.173 1.00 0.00 H new ATOM 0 HG12 ILE A 91 7.547 -5.896 1.539 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.019 -6.462 3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 91 8.172 -3.012 2.177 1.00 0.00 H new ATOM 0 HG22 ILE A 91 9.837 -3.250 2.761 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.263 -4.132 1.326 1.00 0.00 H new ATOM 0 HD11 ILE A 91 5.253 -5.093 2.034 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.845 -4.296 3.511 1.00 0.00 H new ATOM 0 HD13 ILE A 91 6.382 -3.722 1.914 1.00 0.00 H new ATOM 1460 N SER A 92 12.023 -5.507 3.300 1.00 0.00 N ATOM 1461 CA SER A 92 13.304 -4.893 3.765 1.00 0.00 C ATOM 1462 C SER A 92 13.560 -3.573 3.030 1.00 0.00 C ATOM 1463 O SER A 92 12.976 -3.302 1.997 1.00 0.00 O ATOM 1464 CB SER A 92 14.393 -5.912 3.421 1.00 0.00 C ATOM 1465 OG SER A 92 14.087 -7.156 4.038 1.00 0.00 O ATOM 0 H SER A 92 12.109 -6.125 2.493 1.00 0.00 H new ATOM 0 HA SER A 92 13.281 -4.667 4.831 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.462 -6.037 2.340 1.00 0.00 H new ATOM 0 HB3 SER A 92 15.364 -5.553 3.763 1.00 0.00 H new ATOM 0 HG SER A 92 14.782 -7.810 3.817 1.00 0.00 H new ATOM 1471 N GLN A 93 14.434 -2.754 3.557 1.00 0.00 N ATOM 1472 CA GLN A 93 14.739 -1.445 2.896 1.00 0.00 C ATOM 1473 C GLN A 93 15.359 -1.680 1.514 1.00 0.00 C ATOM 1474 O GLN A 93 14.886 -1.161 0.520 1.00 0.00 O ATOM 1475 CB GLN A 93 15.738 -0.747 3.828 1.00 0.00 C ATOM 1476 CG GLN A 93 15.838 0.737 3.461 1.00 0.00 C ATOM 1477 CD GLN A 93 17.311 1.150 3.387 1.00 0.00 C ATOM 1478 OE1 GLN A 93 17.954 1.330 4.402 1.00 0.00 O ATOM 1479 NE2 GLN A 93 17.877 1.309 2.222 1.00 0.00 N ATOM 0 H GLN A 93 14.951 -2.934 4.418 1.00 0.00 H new ATOM 0 HA GLN A 93 13.843 -0.843 2.741 1.00 0.00 H new ATOM 0 HB2 GLN A 93 15.419 -0.854 4.865 1.00 0.00 H new ATOM 0 HB3 GLN A 93 16.717 -1.219 3.746 1.00 0.00 H new ATOM 0 HG2 GLN A 93 15.350 0.919 2.503 1.00 0.00 H new ATOM 0 HG3 GLN A 93 15.317 1.342 4.204 1.00 0.00 H new ATOM 0 HE21 GLN A 93 17.339 1.158 1.369 1.00 0.00 H new ATOM 0 HE22 GLN A 93 18.858 1.584 2.165 1.00 0.00 H new ATOM 1488 N GLN A 94 16.413 -2.458 1.445 1.00 0.00 N ATOM 1489 CA GLN A 94 17.072 -2.730 0.129 1.00 0.00 C ATOM 1490 C GLN A 94 16.102 -3.434 -0.829 1.00 0.00 C ATOM 1491 O GLN A 94 16.029 -3.100 -1.998 1.00 0.00 O ATOM 1492 CB GLN A 94 18.263 -3.640 0.455 1.00 0.00 C ATOM 1493 CG GLN A 94 19.535 -2.794 0.588 1.00 0.00 C ATOM 1494 CD GLN A 94 19.690 -2.309 2.035 1.00 0.00 C ATOM 1495 OE1 GLN A 94 19.559 -3.079 2.966 1.00 0.00 O ATOM 1496 NE2 GLN A 94 19.970 -1.054 2.264 1.00 0.00 N ATOM 0 H GLN A 94 16.846 -2.917 2.246 1.00 0.00 H new ATOM 0 HA GLN A 94 17.385 -1.810 -0.365 1.00 0.00 H new ATOM 0 HB2 GLN A 94 18.076 -4.182 1.382 1.00 0.00 H new ATOM 0 HB3 GLN A 94 18.390 -4.385 -0.330 1.00 0.00 H new ATOM 0 HG2 GLN A 94 20.405 -3.382 0.297 1.00 0.00 H new ATOM 0 HG3 GLN A 94 19.487 -1.940 -0.088 1.00 0.00 H new ATOM 0 HE21 GLN A 94 20.080 -0.406 1.484 1.00 0.00 H new ATOM 0 HE22 GLN A 94 20.078 -0.722 3.222 1.00 0.00 H new ATOM 1505 N GLU A 95 15.353 -4.397 -0.347 1.00 0.00 N ATOM 1506 CA GLU A 95 14.385 -5.112 -1.236 1.00 0.00 C ATOM 1507 C GLU A 95 13.379 -4.121 -1.826 1.00 0.00 C ATOM 1508 O GLU A 95 13.049 -4.184 -2.995 1.00 0.00 O ATOM 1509 CB GLU A 95 13.681 -6.126 -0.331 1.00 0.00 C ATOM 1510 CG GLU A 95 14.605 -7.322 -0.075 1.00 0.00 C ATOM 1511 CD GLU A 95 14.670 -8.201 -1.327 1.00 0.00 C ATOM 1512 OE1 GLU A 95 13.850 -9.096 -1.442 1.00 0.00 O ATOM 1513 OE2 GLU A 95 15.542 -7.967 -2.148 1.00 0.00 O ATOM 0 H GLU A 95 15.370 -4.718 0.621 1.00 0.00 H new ATOM 0 HA GLU A 95 14.879 -5.599 -2.077 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.409 -5.656 0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 95 12.755 -6.463 -0.798 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.603 -6.973 0.188 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.238 -7.903 0.771 1.00 0.00 H new ATOM 1520 N ALA A 96 12.900 -3.195 -1.030 1.00 0.00 N ATOM 1521 CA ALA A 96 11.927 -2.188 -1.549 1.00 0.00 C ATOM 1522 C ALA A 96 12.592 -1.339 -2.638 1.00 0.00 C ATOM 1523 O ALA A 96 11.987 -1.031 -3.647 1.00 0.00 O ATOM 1524 CB ALA A 96 11.553 -1.326 -0.342 1.00 0.00 C ATOM 0 H ALA A 96 13.142 -3.095 -0.044 1.00 0.00 H new ATOM 0 HA ALA A 96 11.047 -2.652 -1.995 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.839 -0.562 -0.648 1.00 0.00 H new ATOM 0 HB2 ALA A 96 11.105 -1.954 0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.448 -0.848 0.055 1.00 0.00 H new ATOM 1530 N ASN A 97 13.837 -0.973 -2.445 1.00 0.00 N ATOM 1531 CA ASN A 97 14.552 -0.157 -3.476 1.00 0.00 C ATOM 1532 C ASN A 97 14.696 -0.964 -4.771 1.00 0.00 C ATOM 1533 O ASN A 97 14.532 -0.436 -5.854 1.00 0.00 O ATOM 1534 CB ASN A 97 15.930 0.148 -2.874 1.00 0.00 C ATOM 1535 CG ASN A 97 15.791 1.173 -1.745 1.00 0.00 C ATOM 1536 OD1 ASN A 97 16.242 0.943 -0.641 1.00 0.00 O ATOM 1537 ND2 ASN A 97 15.184 2.306 -1.972 1.00 0.00 N ATOM 0 H ASN A 97 14.388 -1.204 -1.618 1.00 0.00 H new ATOM 0 HA ASN A 97 14.013 0.758 -3.724 1.00 0.00 H new ATOM 0 HB2 ASN A 97 16.380 -0.768 -2.492 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.597 0.533 -3.646 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.090 2.993 -1.224 1.00 0.00 H new ATOM 0 HD22 ASN A 97 14.803 2.504 -2.897 1.00 0.00 H new ATOM 1544 N GLN A 98 14.983 -2.240 -4.663 1.00 0.00 N ATOM 1545 CA GLN A 98 15.120 -3.087 -5.889 1.00 0.00 C ATOM 1546 C GLN A 98 13.782 -3.142 -6.632 1.00 0.00 C ATOM 1547 O GLN A 98 13.738 -3.070 -7.844 1.00 0.00 O ATOM 1548 CB GLN A 98 15.514 -4.481 -5.384 1.00 0.00 C ATOM 1549 CG GLN A 98 17.033 -4.653 -5.474 1.00 0.00 C ATOM 1550 CD GLN A 98 17.448 -4.828 -6.939 1.00 0.00 C ATOM 1551 OE1 GLN A 98 17.273 -5.886 -7.511 1.00 0.00 O ATOM 1552 NE2 GLN A 98 17.994 -3.827 -7.575 1.00 0.00 N ATOM 0 H GLN A 98 15.128 -2.730 -3.780 1.00 0.00 H new ATOM 0 HA GLN A 98 15.861 -2.691 -6.583 1.00 0.00 H new ATOM 0 HB2 GLN A 98 15.184 -4.612 -4.353 1.00 0.00 H new ATOM 0 HB3 GLN A 98 15.016 -5.248 -5.978 1.00 0.00 H new ATOM 0 HG2 GLN A 98 17.533 -3.784 -5.046 1.00 0.00 H new ATOM 0 HG3 GLN A 98 17.346 -5.520 -4.892 1.00 0.00 H new ATOM 0 HE21 GLN A 98 18.142 -2.938 -7.097 1.00 0.00 H new ATOM 0 HE22 GLN A 98 18.273 -3.934 -8.550 1.00 0.00 H new ATOM 1561 N TRP A 99 12.692 -3.253 -5.910 1.00 0.00 N ATOM 1562 CA TRP A 99 11.352 -3.292 -6.571 1.00 0.00 C ATOM 1563 C TRP A 99 11.036 -1.925 -7.192 1.00 0.00 C ATOM 1564 O TRP A 99 10.440 -1.836 -8.248 1.00 0.00 O ATOM 1565 CB TRP A 99 10.362 -3.614 -5.450 1.00 0.00 C ATOM 1566 CG TRP A 99 9.024 -3.932 -6.038 1.00 0.00 C ATOM 1567 CD1 TRP A 99 8.773 -4.945 -6.900 1.00 0.00 C ATOM 1568 CD2 TRP A 99 7.756 -3.250 -5.827 1.00 0.00 C ATOM 1569 NE1 TRP A 99 7.430 -4.928 -7.229 1.00 0.00 N ATOM 1570 CE2 TRP A 99 6.761 -3.901 -6.591 1.00 0.00 C ATOM 1571 CE3 TRP A 99 7.376 -2.139 -5.052 1.00 0.00 C ATOM 1572 CZ2 TRP A 99 5.436 -3.467 -6.587 1.00 0.00 C ATOM 1573 CZ3 TRP A 99 6.044 -1.701 -5.045 1.00 0.00 C ATOM 1574 CH2 TRP A 99 5.075 -2.363 -5.811 1.00 0.00 C ATOM 0 H TRP A 99 12.674 -3.318 -4.892 1.00 0.00 H new ATOM 0 HA TRP A 99 11.307 -4.028 -7.374 1.00 0.00 H new ATOM 0 HB2 TRP A 99 10.723 -4.459 -4.864 1.00 0.00 H new ATOM 0 HB3 TRP A 99 10.279 -2.766 -4.770 1.00 0.00 H new ATOM 0 HD1 TRP A 99 9.502 -5.651 -7.270 1.00 0.00 H new ATOM 0 HE1 TRP A 99 6.988 -5.592 -7.865 1.00 0.00 H new ATOM 0 HE3 TRP A 99 8.115 -1.620 -4.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 4.694 -3.981 -7.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 5.763 -0.848 -4.445 1.00 0.00 H new ATOM 0 HH2 TRP A 99 4.051 -2.020 -5.801 1.00 0.00 H new ATOM 1585 N LEU A 100 11.438 -0.863 -6.536 1.00 0.00 N ATOM 1586 CA LEU A 100 11.178 0.509 -7.080 1.00 0.00 C ATOM 1587 C LEU A 100 11.977 0.737 -8.373 1.00 0.00 C ATOM 1588 O LEU A 100 11.549 1.466 -9.249 1.00 0.00 O ATOM 1589 CB LEU A 100 11.639 1.486 -5.989 1.00 0.00 C ATOM 1590 CG LEU A 100 10.550 1.614 -4.920 1.00 0.00 C ATOM 1591 CD1 LEU A 100 11.174 2.078 -3.601 1.00 0.00 C ATOM 1592 CD2 LEU A 100 9.506 2.637 -5.376 1.00 0.00 C ATOM 0 H LEU A 100 11.936 -0.886 -5.646 1.00 0.00 H new ATOM 0 HA LEU A 100 10.125 0.648 -7.326 1.00 0.00 H new ATOM 0 HB2 LEU A 100 12.566 1.132 -5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 100 11.850 2.462 -6.426 1.00 0.00 H new ATOM 0 HG LEU A 100 10.073 0.645 -4.773 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.396 2.168 -2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 100 11.917 1.351 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 100 11.653 3.046 -3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.730 2.729 -4.616 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.985 3.605 -5.524 1.00 0.00 H new ATOM 0 HD23 LEU A 100 9.058 2.307 -6.313 1.00 0.00 H new ATOM 1604 N SER A 101 13.133 0.121 -8.497 1.00 0.00 N ATOM 1605 CA SER A 101 13.965 0.301 -9.732 1.00 0.00 C ATOM 1606 C SER A 101 13.153 -0.055 -10.987 1.00 0.00 C ATOM 1607 O SER A 101 13.224 0.628 -11.992 1.00 0.00 O ATOM 1608 CB SER A 101 15.147 -0.660 -9.570 1.00 0.00 C ATOM 1609 OG SER A 101 15.971 -0.218 -8.498 1.00 0.00 O ATOM 0 H SER A 101 13.535 -0.499 -7.794 1.00 0.00 H new ATOM 0 HA SER A 101 14.294 1.334 -9.851 1.00 0.00 H new ATOM 0 HB2 SER A 101 14.785 -1.669 -9.373 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.724 -0.703 -10.493 1.00 0.00 H new ATOM 0 HG SER A 101 15.492 -0.328 -7.650 1.00 0.00 H new ATOM 1615 N SER A 102 12.383 -1.116 -10.933 1.00 0.00 N ATOM 1616 CA SER A 102 11.561 -1.517 -12.116 1.00 0.00 C ATOM 1617 C SER A 102 10.336 -2.326 -11.668 1.00 0.00 C ATOM 1618 O SER A 102 10.496 -3.199 -10.828 1.00 0.00 O ATOM 1619 CB SER A 102 12.488 -2.376 -12.980 1.00 0.00 C ATOM 1620 OG SER A 102 13.048 -1.575 -14.015 1.00 0.00 O ATOM 1621 OXT SER A 102 9.258 -2.057 -12.173 1.00 0.00 O ATOM 0 H SER A 102 12.289 -1.722 -10.118 1.00 0.00 H new ATOM 0 HA SER A 102 11.185 -0.652 -12.663 1.00 0.00 H new ATOM 0 HB2 SER A 102 13.281 -2.804 -12.367 1.00 0.00 H new ATOM 0 HB3 SER A 102 11.933 -3.210 -13.410 1.00 0.00 H new ATOM 0 HG SER A 102 13.249 -0.682 -13.665 1.00 0.00 H new TER 1627 SER A 102