USER MOD reduce.3.24.130724 H: found=0, std=0, add=1064, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1058 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 76 GLN : amide:sc= -1.13 K(o=-1.6,f=-2.4!) USER MOD Set 1.2: B 150 MET CE :methyl 164:sc= -0.511 (180deg=-1.4) USER MOD Set 2.1: A 17 HIS : no HE2:sc= 0.754 K(o=2.9,f=-6.2!) USER MOD Set 2.2: A 21 LYS NZ :NH3+ -166:sc= 2.34 (180deg=0.515) USER MOD Set 2.3: B 141 MET CE :methyl -175:sc= -0.187 (180deg=-0.328) USER MOD Set 3.1: B 109 GLN : amide:sc= -2.47 K(o=-2.4,f=-0.42) USER MOD Set 3.2: B 110 THR OG1 : rot 180:sc= 0.026 USER MOD Set 4.1: A 54 MET CE :methyl 160:sc= -1.69 (180deg=-2.36!) USER MOD Set 4.2: A 71 LYS NZ :NH3+ -154:sc= -0.12 (180deg=-1.05) USER MOD Set 5.1: A 20 HIS : no HE2:sc=-0.00179 X(o=1.2,f=0.94) USER MOD Set 5.2: A 24 GLN : amide:sc= 1.17 K(o=1.2,f=-0.46) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 148:sc= 2.35 (180deg=1.02) USER MOD Single : A 7 HIS : no HD1:sc= -0.0818 X(o=-0.082,f=-0.27) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 11 THR OG1 : rot 120:sc= 1.27 USER MOD Single : A 12 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.061) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -95:sc= 0.00686 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -117:sc= -4.33! (180deg=-5.98!) USER MOD Single : A 42 ASN : amide:sc= -0.472 X(o=-0.47,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -171:sc=-0.00858 (180deg=-0.11) USER MOD Single : A 49 LYS NZ :NH3+ 168:sc=-0.00162 (180deg=-0.0933) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.823 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.828 K(o=0.83,f=-0.034) USER MOD Single : A 60 SER OG : rot 180:sc= 0.609 USER MOD Single : A 64 TYR OH : rot 43:sc= 0.975 USER MOD Single : A 65 TYR OH : rot -122:sc= 0.658 USER MOD Single : A 66 HIS : no HE2:sc= 0.204 K(o=0.2,f=-0.73) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -146:sc= -1.8! (180deg=-2.96!) USER MOD Single : A 82 LYS NZ :NH3+ 164:sc= 0.812 (180deg=0.0257) USER MOD Single : A 85 SER OG : rot 50:sc= 0.0505 USER MOD Single : B 102 SER OG : rot 180:sc= 0 USER MOD Single : B 103 MET CE :methyl 165:sc= -0.081 (180deg=-0.389) USER MOD Single : B 104 SER OG : rot -51:sc= 0.142 USER MOD Single : B 105 HIS : no HD1:sc= -0.12 X(o=-0.12,f=0.015) USER MOD Single : B 106 TYR OH : rot 180:sc= 0 USER MOD Single : B 108 ASN : amide:sc= 0.0435 K(o=0.044,f=-3.8!) USER MOD Single : B 112 GLN : amide:sc= -0.511 K(o=-0.51,f=-4.8!) USER MOD Single : B 116 THR OG1 : rot 78:sc= 1.14 USER MOD Single : B 117 SER OG : rot -109:sc= 0.235 USER MOD Single : B 119 SER OG : rot 13:sc= 0.951 USER MOD Single : B 121 SER OG : rot -25:sc= 0.906 USER MOD Single : B 122 HIS : no HD1:sc= -0.0188 X(o=-0.019,f=-0.4) USER MOD Single : B 123 SER OG : rot 180:sc= 0 USER MOD Single : B 128 SER OG : rot 180:sc= 0.105 USER MOD Single : B 132 SER OG : rot 99:sc= 1.67 USER MOD Single : B 136 SER OG : rot -157:sc= 0.0813 USER MOD Single : B 139 CYS SG : rot 180:sc= 0 USER MOD Single : B 143 SER OG : rot 180:sc= 0.0289 USER MOD Single : B 147 SER OG : rot 83:sc= 0.571 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.891 3.282 17.737 1.00 0.00 N ATOM 2 CA GLY A 1 -16.818 4.735 17.755 1.00 0.00 C ATOM 3 C GLY A 1 -17.608 5.352 16.650 1.00 0.00 C ATOM 4 O GLY A 1 -18.840 5.375 16.688 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.328 2.896 18.522 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.881 2.983 17.842 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.516 2.927 16.834 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.186 5.104 18.712 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.777 5.046 17.673 1.00 0.00 H new ATOM 10 N VAL A 2 -16.918 5.830 15.655 1.00 0.00 N ATOM 11 CA VAL A 2 -17.539 6.488 14.541 1.00 0.00 C ATOM 12 C VAL A 2 -18.205 5.455 13.647 1.00 0.00 C ATOM 13 O VAL A 2 -17.539 4.566 13.108 1.00 0.00 O ATOM 14 CB VAL A 2 -16.507 7.266 13.698 1.00 0.00 C ATOM 15 CG1 VAL A 2 -17.197 8.079 12.624 1.00 0.00 C ATOM 16 CG2 VAL A 2 -15.613 8.146 14.565 1.00 0.00 C ATOM 0 H VAL A 2 -15.901 5.774 15.593 1.00 0.00 H new ATOM 0 HA VAL A 2 -18.273 7.190 14.937 1.00 0.00 H new ATOM 0 HB VAL A 2 -15.861 6.534 13.212 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -16.451 8.620 12.041 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -17.758 7.413 11.968 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -17.880 8.790 13.088 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.901 8.676 13.933 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -16.226 8.868 15.105 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -15.072 7.524 15.278 1.00 0.00 H new ATOM 26 N ARG A 3 -19.496 5.542 13.516 1.00 0.00 N ATOM 27 CA ARG A 3 -20.200 4.645 12.641 1.00 0.00 C ATOM 28 C ARG A 3 -20.267 5.260 11.255 1.00 0.00 C ATOM 29 O ARG A 3 -21.025 6.190 10.999 1.00 0.00 O ATOM 30 CB ARG A 3 -21.601 4.192 13.167 1.00 0.00 C ATOM 31 CG ARG A 3 -22.675 5.273 13.365 1.00 0.00 C ATOM 32 CD ARG A 3 -22.537 6.013 14.682 1.00 0.00 C ATOM 33 NE ARG A 3 -23.536 7.077 14.812 1.00 0.00 N ATOM 34 CZ ARG A 3 -23.973 7.584 15.967 1.00 0.00 C ATOM 35 NH1 ARG A 3 -23.542 7.097 17.129 1.00 0.00 N ATOM 36 NH2 ARG A 3 -24.850 8.577 15.959 1.00 0.00 N ATOM 0 H ARG A 3 -20.083 6.221 14.001 1.00 0.00 H new ATOM 0 HA ARG A 3 -19.633 3.715 12.601 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -21.996 3.451 12.472 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -21.453 3.688 14.122 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -22.617 5.989 12.545 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -23.661 4.811 13.316 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -22.645 5.310 15.508 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -21.537 6.441 14.756 1.00 0.00 H new ATOM 0 HE ARG A 3 -23.928 7.461 13.952 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -22.871 6.329 17.143 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -23.883 7.492 18.005 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -25.189 8.951 15.073 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -25.187 8.967 16.839 1.00 0.00 H new ATOM 50 N LYS A 4 -19.414 4.799 10.396 1.00 0.00 N ATOM 51 CA LYS A 4 -19.305 5.352 9.082 1.00 0.00 C ATOM 52 C LYS A 4 -19.825 4.392 8.024 1.00 0.00 C ATOM 53 O LYS A 4 -19.103 3.537 7.531 1.00 0.00 O ATOM 54 CB LYS A 4 -17.875 5.861 8.817 1.00 0.00 C ATOM 55 CG LYS A 4 -16.732 4.904 9.208 1.00 0.00 C ATOM 56 CD LYS A 4 -15.357 5.522 8.907 1.00 0.00 C ATOM 57 CE LYS A 4 -15.061 6.743 9.762 1.00 0.00 C ATOM 58 NZ LYS A 4 -13.866 7.462 9.302 1.00 0.00 N ATOM 0 H LYS A 4 -18.773 4.028 10.585 1.00 0.00 H new ATOM 0 HA LYS A 4 -19.953 6.226 9.017 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.783 6.089 7.755 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.738 6.798 9.357 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.801 4.666 10.269 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.838 3.966 8.663 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.583 4.772 9.071 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.312 5.801 7.854 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -15.918 7.416 9.742 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -14.922 6.435 10.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.978 8.479 9.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.030 7.106 9.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.742 7.311 8.281 1.00 0.00 H new ATOM 72 N GLY A 5 -21.093 4.568 7.691 1.00 0.00 N ATOM 73 CA GLY A 5 -21.837 3.669 6.805 1.00 0.00 C ATOM 74 C GLY A 5 -21.278 3.498 5.409 1.00 0.00 C ATOM 75 O GLY A 5 -21.679 2.577 4.691 1.00 0.00 O ATOM 0 H GLY A 5 -21.650 5.352 8.032 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -21.889 2.688 7.277 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -22.860 4.037 6.723 1.00 0.00 H new ATOM 79 N TRP A 6 -20.334 4.341 5.020 1.00 0.00 N ATOM 80 CA TRP A 6 -19.724 4.231 3.703 1.00 0.00 C ATOM 81 C TRP A 6 -18.962 2.919 3.561 1.00 0.00 C ATOM 82 O TRP A 6 -18.655 2.488 2.443 1.00 0.00 O ATOM 83 CB TRP A 6 -18.806 5.426 3.389 1.00 0.00 C ATOM 84 CG TRP A 6 -17.664 5.627 4.335 1.00 0.00 C ATOM 85 CD1 TRP A 6 -17.620 6.516 5.349 1.00 0.00 C ATOM 86 CD2 TRP A 6 -16.400 4.937 4.347 1.00 0.00 C ATOM 87 NE1 TRP A 6 -16.413 6.455 5.975 1.00 0.00 N ATOM 88 CE2 TRP A 6 -15.648 5.480 5.389 1.00 0.00 C ATOM 89 CE3 TRP A 6 -15.839 3.917 3.577 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -14.360 5.041 5.680 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -14.568 3.485 3.870 1.00 0.00 C ATOM 92 CH2 TRP A 6 -13.844 4.044 4.911 1.00 0.00 C ATOM 0 H TRP A 6 -19.975 5.105 5.593 1.00 0.00 H new ATOM 0 HA TRP A 6 -20.535 4.242 2.975 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -18.404 5.299 2.384 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -19.410 6.333 3.378 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -18.426 7.180 5.624 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -16.123 7.042 6.757 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -16.395 3.474 2.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -13.790 5.476 6.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -14.126 2.697 3.279 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -12.848 3.680 5.117 1.00 0.00 H new ATOM 103 N HIS A 7 -18.668 2.276 4.702 1.00 0.00 N ATOM 104 CA HIS A 7 -17.955 1.011 4.721 1.00 0.00 C ATOM 105 C HIS A 7 -18.719 -0.131 4.030 1.00 0.00 C ATOM 106 O HIS A 7 -18.168 -1.198 3.808 1.00 0.00 O ATOM 107 CB HIS A 7 -17.473 0.606 6.140 1.00 0.00 C ATOM 108 CG HIS A 7 -18.522 0.486 7.214 1.00 0.00 C ATOM 109 ND1 HIS A 7 -18.316 0.876 8.522 1.00 0.00 N ATOM 110 CD2 HIS A 7 -19.780 -0.010 7.174 1.00 0.00 C ATOM 111 CE1 HIS A 7 -19.423 0.614 9.211 1.00 0.00 C ATOM 112 NE2 HIS A 7 -20.345 0.075 8.439 1.00 0.00 N ATOM 0 H HIS A 7 -18.921 2.625 5.627 1.00 0.00 H new ATOM 0 HA HIS A 7 -17.060 1.186 4.124 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -16.958 -0.352 6.062 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -16.735 1.338 6.468 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -20.267 -0.409 6.297 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -19.550 0.816 10.264 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -21.282 -0.219 8.715 1.00 0.00 H new ATOM 120 N GLU A 8 -19.980 0.094 3.700 1.00 0.00 N ATOM 121 CA GLU A 8 -20.743 -0.895 2.952 1.00 0.00 C ATOM 122 C GLU A 8 -20.317 -0.880 1.489 1.00 0.00 C ATOM 123 O GLU A 8 -20.298 -1.911 0.817 1.00 0.00 O ATOM 124 CB GLU A 8 -22.237 -0.617 3.037 1.00 0.00 C ATOM 125 CG GLU A 8 -22.820 -0.731 4.423 1.00 0.00 C ATOM 126 CD GLU A 8 -24.309 -0.511 4.426 1.00 0.00 C ATOM 127 OE1 GLU A 8 -25.064 -1.424 4.004 1.00 0.00 O ATOM 128 OE2 GLU A 8 -24.764 0.556 4.867 1.00 0.00 O ATOM 0 H GLU A 8 -20.494 0.943 3.935 1.00 0.00 H new ATOM 0 HA GLU A 8 -20.543 -1.873 3.390 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -22.428 0.387 2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -22.760 -1.311 2.379 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -22.598 -1.717 4.830 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -22.344 -0.001 5.078 1.00 0.00 H new ATOM 135 N HIS A 9 -19.904 0.287 1.030 1.00 0.00 N ATOM 136 CA HIS A 9 -19.566 0.518 -0.370 1.00 0.00 C ATOM 137 C HIS A 9 -18.086 0.315 -0.653 1.00 0.00 C ATOM 138 O HIS A 9 -17.554 0.791 -1.657 1.00 0.00 O ATOM 139 CB HIS A 9 -20.009 1.911 -0.807 1.00 0.00 C ATOM 140 CG HIS A 9 -21.480 2.042 -1.049 1.00 0.00 C ATOM 141 ND1 HIS A 9 -22.037 2.159 -2.304 1.00 0.00 N ATOM 142 CD2 HIS A 9 -22.514 2.092 -0.174 1.00 0.00 C ATOM 143 CE1 HIS A 9 -23.355 2.274 -2.163 1.00 0.00 C ATOM 144 NE2 HIS A 9 -23.706 2.238 -0.883 1.00 0.00 N ATOM 0 H HIS A 9 -19.791 1.111 1.620 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.107 -0.227 -0.954 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.713 2.630 -0.043 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.477 2.179 -1.720 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -22.428 2.029 0.901 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.049 2.383 -2.983 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -24.649 2.303 -0.499 1.00 0.00 H new ATOM 152 N VAL A 10 -17.436 -0.399 0.208 1.00 0.00 N ATOM 153 CA VAL A 10 -16.059 -0.733 0.028 1.00 0.00 C ATOM 154 C VAL A 10 -15.897 -2.220 0.303 1.00 0.00 C ATOM 155 O VAL A 10 -16.067 -2.692 1.423 1.00 0.00 O ATOM 156 CB VAL A 10 -15.129 0.170 0.903 1.00 0.00 C ATOM 157 CG1 VAL A 10 -15.454 0.120 2.374 1.00 0.00 C ATOM 158 CG2 VAL A 10 -13.667 -0.100 0.649 1.00 0.00 C ATOM 0 H VAL A 10 -17.849 -0.770 1.064 1.00 0.00 H new ATOM 0 HA VAL A 10 -15.748 -0.536 -0.998 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.335 1.191 0.582 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -14.770 0.770 2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.478 0.457 2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.349 -0.903 2.735 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.062 0.551 1.280 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.443 -1.141 0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.438 0.094 -0.399 1.00 0.00 H new ATOM 168 N THR A 11 -15.634 -2.946 -0.735 1.00 0.00 N ATOM 169 CA THR A 11 -15.579 -4.369 -0.671 1.00 0.00 C ATOM 170 C THR A 11 -14.287 -4.834 -0.013 1.00 0.00 C ATOM 171 O THR A 11 -13.260 -4.139 -0.095 1.00 0.00 O ATOM 172 CB THR A 11 -15.598 -4.927 -2.085 1.00 0.00 C ATOM 173 OG1 THR A 11 -16.505 -4.172 -2.899 1.00 0.00 O ATOM 174 CG2 THR A 11 -16.022 -6.372 -2.069 1.00 0.00 C ATOM 0 H THR A 11 -15.449 -2.562 -1.662 1.00 0.00 H new ATOM 0 HA THR A 11 -16.433 -4.718 -0.090 1.00 0.00 H new ATOM 0 HB THR A 11 -14.593 -4.854 -2.501 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.017 -3.773 -3.649 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.032 -6.760 -3.088 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.321 -6.950 -1.467 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.021 -6.453 -1.640 1.00 0.00 H new ATOM 182 N GLN A 12 -14.323 -6.019 0.605 1.00 0.00 N ATOM 183 CA GLN A 12 -13.137 -6.628 1.175 1.00 0.00 C ATOM 184 C GLN A 12 -12.124 -6.855 0.059 1.00 0.00 C ATOM 185 O GLN A 12 -10.947 -6.618 0.234 1.00 0.00 O ATOM 186 CB GLN A 12 -13.472 -7.938 1.945 1.00 0.00 C ATOM 187 CG GLN A 12 -12.257 -8.635 2.574 1.00 0.00 C ATOM 188 CD GLN A 12 -11.792 -9.913 1.857 1.00 0.00 C ATOM 189 OE1 GLN A 12 -11.217 -10.801 2.484 1.00 0.00 O ATOM 190 NE2 GLN A 12 -12.081 -10.056 0.585 1.00 0.00 N ATOM 0 H GLN A 12 -15.172 -6.572 0.719 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.704 -5.957 1.916 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.191 -7.708 2.732 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.959 -8.632 1.261 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.427 -7.929 2.600 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -12.496 -8.884 3.608 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.558 -9.307 0.083 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.828 -10.916 0.098 1.00 0.00 H new ATOM 199 N ASP A 13 -12.622 -7.256 -1.107 1.00 0.00 N ATOM 200 CA ASP A 13 -11.790 -7.406 -2.314 1.00 0.00 C ATOM 201 C ASP A 13 -11.079 -6.119 -2.664 1.00 0.00 C ATOM 202 O ASP A 13 -9.909 -6.141 -2.989 1.00 0.00 O ATOM 203 CB ASP A 13 -12.600 -7.851 -3.546 1.00 0.00 C ATOM 204 CG ASP A 13 -12.856 -9.332 -3.627 1.00 0.00 C ATOM 205 OD1 ASP A 13 -11.985 -10.067 -4.131 1.00 0.00 O ATOM 206 OD2 ASP A 13 -13.945 -9.783 -3.245 1.00 0.00 O ATOM 0 H ASP A 13 -13.605 -7.487 -1.250 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.066 -8.182 -2.066 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.557 -7.330 -3.542 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -12.070 -7.538 -4.445 1.00 0.00 H new ATOM 211 N LEU A 14 -11.767 -4.989 -2.502 1.00 0.00 N ATOM 212 CA LEU A 14 -11.231 -3.706 -2.937 1.00 0.00 C ATOM 213 C LEU A 14 -10.134 -3.319 -2.000 1.00 0.00 C ATOM 214 O LEU A 14 -9.010 -3.082 -2.401 1.00 0.00 O ATOM 215 CB LEU A 14 -12.370 -2.639 -2.962 1.00 0.00 C ATOM 216 CG LEU A 14 -12.051 -1.183 -3.432 1.00 0.00 C ATOM 217 CD1 LEU A 14 -11.327 -0.383 -2.377 1.00 0.00 C ATOM 218 CD2 LEU A 14 -11.246 -1.168 -4.715 1.00 0.00 C ATOM 0 H LEU A 14 -12.692 -4.939 -2.075 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.828 -3.775 -3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.163 -3.023 -3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.779 -2.574 -1.954 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.018 -0.714 -3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.129 0.621 -2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.945 -0.319 -1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.384 -0.872 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.046 -0.137 -5.007 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.302 -1.691 -4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.810 -1.666 -5.504 1.00 0.00 H new ATOM 230 N ARG A 15 -10.453 -3.341 -0.750 1.00 0.00 N ATOM 231 CA ARG A 15 -9.535 -2.932 0.263 1.00 0.00 C ATOM 232 C ARG A 15 -8.335 -3.840 0.383 1.00 0.00 C ATOM 233 O ARG A 15 -7.220 -3.365 0.447 1.00 0.00 O ATOM 234 CB ARG A 15 -10.235 -2.753 1.565 1.00 0.00 C ATOM 235 CG ARG A 15 -11.045 -3.901 2.031 1.00 0.00 C ATOM 236 CD ARG A 15 -11.905 -3.465 3.155 1.00 0.00 C ATOM 237 NE ARG A 15 -11.086 -2.809 4.222 1.00 0.00 N ATOM 238 CZ ARG A 15 -11.317 -2.812 5.540 1.00 0.00 C ATOM 239 NH1 ARG A 15 -12.433 -3.344 6.034 1.00 0.00 N ATOM 240 NH2 ARG A 15 -10.416 -2.271 6.357 1.00 0.00 N ATOM 0 H ARG A 15 -11.361 -3.644 -0.399 1.00 0.00 H new ATOM 0 HA ARG A 15 -9.134 -1.966 -0.044 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.489 -2.527 2.327 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.886 -1.882 1.488 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -11.658 -4.284 1.215 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.394 -4.715 2.350 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.663 -2.770 2.792 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -12.433 -4.324 3.570 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.258 -2.302 3.909 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.123 -3.755 5.406 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.598 -3.340 7.041 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.563 -1.861 5.976 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.579 -2.266 7.364 1.00 0.00 H new ATOM 254 N SER A 16 -8.558 -5.140 0.340 1.00 0.00 N ATOM 255 CA SER A 16 -7.481 -6.088 0.448 1.00 0.00 C ATOM 256 C SER A 16 -6.578 -5.991 -0.784 1.00 0.00 C ATOM 257 O SER A 16 -5.375 -6.240 -0.705 1.00 0.00 O ATOM 258 CB SER A 16 -8.038 -7.502 0.626 1.00 0.00 C ATOM 259 OG SER A 16 -7.012 -8.465 0.822 1.00 0.00 O ATOM 0 H SER A 16 -9.482 -5.559 0.230 1.00 0.00 H new ATOM 0 HA SER A 16 -6.880 -5.856 1.327 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.716 -7.518 1.479 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.624 -7.772 -0.252 1.00 0.00 H new ATOM 0 HG SER A 16 -7.413 -9.352 0.933 1.00 0.00 H new ATOM 265 N HIS A 17 -7.165 -5.590 -1.906 1.00 0.00 N ATOM 266 CA HIS A 17 -6.427 -5.382 -3.142 1.00 0.00 C ATOM 267 C HIS A 17 -5.458 -4.208 -2.944 1.00 0.00 C ATOM 268 O HIS A 17 -4.286 -4.266 -3.342 1.00 0.00 O ATOM 269 CB HIS A 17 -7.428 -5.065 -4.261 1.00 0.00 C ATOM 270 CG HIS A 17 -6.920 -5.148 -5.653 1.00 0.00 C ATOM 271 ND1 HIS A 17 -7.086 -6.250 -6.455 1.00 0.00 N ATOM 272 CD2 HIS A 17 -6.307 -4.223 -6.407 1.00 0.00 C ATOM 273 CE1 HIS A 17 -6.587 -5.976 -7.650 1.00 0.00 C ATOM 274 NE2 HIS A 17 -6.091 -4.745 -7.681 1.00 0.00 N ATOM 0 H HIS A 17 -8.164 -5.401 -1.982 1.00 0.00 H new ATOM 0 HA HIS A 17 -5.859 -6.273 -3.410 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.272 -5.748 -4.166 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -7.812 -4.058 -4.099 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -7.520 -7.130 -6.177 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.026 -3.233 -6.079 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -6.584 -6.660 -8.486 1.00 0.00 H new ATOM 282 N LEU A 18 -5.968 -3.158 -2.326 1.00 0.00 N ATOM 283 CA LEU A 18 -5.189 -1.973 -1.983 1.00 0.00 C ATOM 284 C LEU A 18 -4.120 -2.334 -0.951 1.00 0.00 C ATOM 285 O LEU A 18 -2.982 -1.907 -1.064 1.00 0.00 O ATOM 286 CB LEU A 18 -6.121 -0.852 -1.462 1.00 0.00 C ATOM 287 CG LEU A 18 -6.891 0.017 -2.510 1.00 0.00 C ATOM 288 CD1 LEU A 18 -7.454 -0.781 -3.657 1.00 0.00 C ATOM 289 CD2 LEU A 18 -8.039 0.700 -1.840 1.00 0.00 C ATOM 0 H LEU A 18 -6.946 -3.100 -2.043 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.687 -1.600 -2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.859 -1.312 -0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.522 -0.180 -0.848 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.162 0.722 -2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.974 -0.113 -4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.643 -1.283 -4.184 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.153 -1.525 -3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.577 1.306 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.713 -0.047 -1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.665 1.340 -1.041 1.00 0.00 H new ATOM 301 N VAL A 19 -4.501 -3.156 0.019 1.00 0.00 N ATOM 302 CA VAL A 19 -3.589 -3.679 1.052 1.00 0.00 C ATOM 303 C VAL A 19 -2.411 -4.425 0.393 1.00 0.00 C ATOM 304 O VAL A 19 -1.242 -4.153 0.680 1.00 0.00 O ATOM 305 CB VAL A 19 -4.336 -4.680 2.004 1.00 0.00 C ATOM 306 CG1 VAL A 19 -3.396 -5.368 2.921 1.00 0.00 C ATOM 307 CG2 VAL A 19 -5.390 -4.013 2.829 1.00 0.00 C ATOM 0 H VAL A 19 -5.460 -3.487 0.120 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.223 -2.830 1.630 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.810 -5.406 1.343 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.950 -6.052 3.564 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.665 -5.929 2.339 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.881 -4.629 3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.874 -4.752 3.468 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.933 -3.241 3.448 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.133 -3.559 2.173 1.00 0.00 H new ATOM 317 N HIS A 20 -2.747 -5.361 -0.480 1.00 0.00 N ATOM 318 CA HIS A 20 -1.772 -6.140 -1.238 1.00 0.00 C ATOM 319 C HIS A 20 -0.819 -5.210 -2.004 1.00 0.00 C ATOM 320 O HIS A 20 0.398 -5.405 -2.015 1.00 0.00 O ATOM 321 CB HIS A 20 -2.527 -7.089 -2.195 1.00 0.00 C ATOM 322 CG HIS A 20 -1.684 -7.728 -3.252 1.00 0.00 C ATOM 323 ND1 HIS A 20 -1.745 -7.359 -4.563 1.00 0.00 N ATOM 324 CD2 HIS A 20 -0.756 -8.710 -3.179 1.00 0.00 C ATOM 325 CE1 HIS A 20 -0.887 -8.083 -5.245 1.00 0.00 C ATOM 326 NE2 HIS A 20 -0.244 -8.937 -4.460 1.00 0.00 N ATOM 0 H HIS A 20 -3.715 -5.607 -0.687 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.163 -6.736 -0.558 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.999 -7.874 -1.605 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.327 -6.530 -2.680 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -2.356 -6.640 -4.950 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.460 -9.232 -2.281 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.726 -7.994 -6.309 1.00 0.00 H new ATOM 334 N LYS A 21 -1.386 -4.204 -2.610 1.00 0.00 N ATOM 335 CA LYS A 21 -0.624 -3.221 -3.330 1.00 0.00 C ATOM 336 C LYS A 21 0.271 -2.393 -2.412 1.00 0.00 C ATOM 337 O LYS A 21 1.400 -2.070 -2.788 1.00 0.00 O ATOM 338 CB LYS A 21 -1.541 -2.363 -4.178 1.00 0.00 C ATOM 339 CG LYS A 21 -1.826 -2.969 -5.541 1.00 0.00 C ATOM 340 CD LYS A 21 -3.004 -2.301 -6.217 1.00 0.00 C ATOM 341 CE LYS A 21 -3.065 -2.624 -7.713 1.00 0.00 C ATOM 342 NZ LYS A 21 -3.308 -4.054 -7.983 1.00 0.00 N ATOM 0 H LYS A 21 -2.393 -4.042 -2.619 1.00 0.00 H new ATOM 0 HA LYS A 21 0.055 -3.746 -4.002 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.482 -2.213 -3.649 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.090 -1.380 -4.311 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.943 -2.875 -6.173 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.027 -4.035 -5.430 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.928 -2.625 -5.738 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.936 -1.222 -6.081 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.856 -2.033 -8.175 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.128 -2.325 -8.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.106 -4.258 -8.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.688 -4.631 -7.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.302 -4.282 -7.777 1.00 0.00 H new ATOM 356 N LEU A 22 -0.226 -2.063 -1.215 1.00 0.00 N ATOM 357 CA LEU A 22 0.567 -1.355 -0.199 1.00 0.00 C ATOM 358 C LEU A 22 1.838 -2.127 0.093 1.00 0.00 C ATOM 359 O LEU A 22 2.923 -1.540 0.184 1.00 0.00 O ATOM 360 CB LEU A 22 -0.247 -1.133 1.085 1.00 0.00 C ATOM 361 CG LEU A 22 -1.352 -0.074 1.018 1.00 0.00 C ATOM 362 CD1 LEU A 22 -2.229 -0.139 2.252 1.00 0.00 C ATOM 363 CD2 LEU A 22 -0.730 1.282 0.973 1.00 0.00 C ATOM 0 H LEU A 22 -1.180 -2.276 -0.923 1.00 0.00 H new ATOM 0 HA LEU A 22 0.834 -0.373 -0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.701 -2.082 1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.442 -0.857 1.883 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.953 -0.261 0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.008 0.621 2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.689 -1.125 2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.622 0.040 3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.512 2.040 0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.129 1.437 1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.094 1.361 0.092 1.00 0.00 H new ATOM 375 N VAL A 23 1.689 -3.443 0.211 1.00 0.00 N ATOM 376 CA VAL A 23 2.804 -4.363 0.343 1.00 0.00 C ATOM 377 C VAL A 23 3.750 -4.220 -0.834 1.00 0.00 C ATOM 378 O VAL A 23 4.915 -4.015 -0.644 1.00 0.00 O ATOM 379 CB VAL A 23 2.347 -5.842 0.404 1.00 0.00 C ATOM 380 CG1 VAL A 23 3.563 -6.766 0.299 1.00 0.00 C ATOM 381 CG2 VAL A 23 1.615 -6.106 1.701 1.00 0.00 C ATOM 0 H VAL A 23 0.778 -3.902 0.217 1.00 0.00 H new ATOM 0 HA VAL A 23 3.301 -4.107 1.279 1.00 0.00 H new ATOM 0 HB VAL A 23 1.673 -6.038 -0.430 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.236 -7.805 0.342 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.076 -6.586 -0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.245 -6.566 1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.298 -7.148 1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.278 -5.902 2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.740 -5.459 1.763 1.00 0.00 H new ATOM 391 N GLN A 24 3.217 -4.308 -2.045 1.00 0.00 N ATOM 392 CA GLN A 24 4.040 -4.269 -3.256 1.00 0.00 C ATOM 393 C GLN A 24 4.857 -2.978 -3.375 1.00 0.00 C ATOM 394 O GLN A 24 5.909 -2.967 -4.011 1.00 0.00 O ATOM 395 CB GLN A 24 3.209 -4.484 -4.512 1.00 0.00 C ATOM 396 CG GLN A 24 2.428 -5.782 -4.544 1.00 0.00 C ATOM 397 CD GLN A 24 1.816 -6.029 -5.899 1.00 0.00 C ATOM 398 OE1 GLN A 24 0.695 -5.600 -6.188 1.00 0.00 O ATOM 399 NE2 GLN A 24 2.539 -6.734 -6.734 1.00 0.00 N ATOM 0 H GLN A 24 2.217 -4.407 -2.220 1.00 0.00 H new ATOM 0 HA GLN A 24 4.745 -5.095 -3.162 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.510 -3.654 -4.615 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.870 -4.453 -5.378 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.088 -6.610 -4.286 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.642 -5.753 -3.789 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.461 -7.069 -6.454 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.180 -6.948 -7.664 1.00 0.00 H new ATOM 408 N ALA A 25 4.349 -1.892 -2.819 1.00 0.00 N ATOM 409 CA ALA A 25 5.101 -0.664 -2.790 1.00 0.00 C ATOM 410 C ALA A 25 6.104 -0.644 -1.648 1.00 0.00 C ATOM 411 O ALA A 25 7.239 -0.286 -1.852 1.00 0.00 O ATOM 412 CB ALA A 25 4.202 0.519 -2.701 1.00 0.00 C ATOM 0 H ALA A 25 3.426 -1.842 -2.387 1.00 0.00 H new ATOM 0 HA ALA A 25 5.654 -0.611 -3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.800 1.430 -2.681 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.540 0.539 -3.567 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.607 0.456 -1.790 1.00 0.00 H new ATOM 418 N ILE A 26 5.687 -1.052 -0.445 1.00 0.00 N ATOM 419 CA ILE A 26 6.601 -1.004 0.712 1.00 0.00 C ATOM 420 C ILE A 26 7.705 -2.052 0.558 1.00 0.00 C ATOM 421 O ILE A 26 8.855 -1.855 0.957 1.00 0.00 O ATOM 422 CB ILE A 26 5.882 -1.220 2.100 1.00 0.00 C ATOM 423 CG1 ILE A 26 6.905 -1.055 3.243 1.00 0.00 C ATOM 424 CG2 ILE A 26 5.180 -2.573 2.181 1.00 0.00 C ATOM 425 CD1 ILE A 26 6.434 -1.511 4.596 1.00 0.00 C ATOM 0 H ILE A 26 4.753 -1.410 -0.244 1.00 0.00 H new ATOM 0 HA ILE A 26 7.018 0.003 0.718 1.00 0.00 H new ATOM 0 HB ILE A 26 5.105 -0.462 2.201 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.807 -1.610 2.984 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.185 -0.004 3.309 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.700 -2.676 3.154 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.427 -2.640 1.396 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.911 -3.371 2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.225 -1.353 5.329 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.552 -0.940 4.886 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.183 -2.571 4.556 1.00 0.00 H new ATOM 437 N PHE A 27 7.347 -3.122 -0.027 1.00 0.00 N ATOM 438 CA PHE A 27 8.198 -4.208 -0.262 1.00 0.00 C ATOM 439 C PHE A 27 8.124 -4.510 -1.738 1.00 0.00 C ATOM 440 O PHE A 27 7.175 -5.170 -2.185 1.00 0.00 O ATOM 441 CB PHE A 27 7.681 -5.416 0.522 1.00 0.00 C ATOM 442 CG PHE A 27 8.462 -6.689 0.370 1.00 0.00 C ATOM 443 CD1 PHE A 27 9.638 -6.883 1.055 1.00 0.00 C ATOM 444 CD2 PHE A 27 8.001 -7.694 -0.465 1.00 0.00 C ATOM 445 CE1 PHE A 27 10.346 -8.060 0.912 1.00 0.00 C ATOM 446 CE2 PHE A 27 8.703 -8.869 -0.612 1.00 0.00 C ATOM 447 CZ PHE A 27 9.880 -9.051 0.076 1.00 0.00 C ATOM 0 H PHE A 27 6.399 -3.270 -0.373 1.00 0.00 H new ATOM 0 HA PHE A 27 9.221 -3.988 0.045 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.657 -5.153 1.580 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.652 -5.607 0.218 1.00 0.00 H new ATOM 0 HD1 PHE A 27 10.011 -6.109 1.710 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.078 -7.554 -1.008 1.00 0.00 H new ATOM 0 HE1 PHE A 27 11.267 -8.204 1.457 1.00 0.00 H new ATOM 0 HE2 PHE A 27 8.331 -9.645 -1.265 1.00 0.00 H new ATOM 0 HZ PHE A 27 10.438 -9.969 -0.039 1.00 0.00 H new ATOM 457 N PRO A 28 9.015 -3.930 -2.547 1.00 0.00 N ATOM 458 CA PRO A 28 9.129 -4.294 -3.946 1.00 0.00 C ATOM 459 C PRO A 28 9.417 -5.778 -4.020 1.00 0.00 C ATOM 460 O PRO A 28 10.525 -6.225 -3.715 1.00 0.00 O ATOM 461 CB PRO A 28 10.341 -3.486 -4.430 1.00 0.00 C ATOM 462 CG PRO A 28 11.027 -3.077 -3.168 1.00 0.00 C ATOM 463 CD PRO A 28 9.941 -2.847 -2.196 1.00 0.00 C ATOM 0 HA PRO A 28 8.237 -4.093 -4.540 1.00 0.00 H new ATOM 0 HB2 PRO A 28 10.994 -4.086 -5.063 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.035 -2.620 -5.017 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.709 -3.853 -2.821 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.620 -2.175 -3.317 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.288 -2.919 -1.165 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.487 -1.863 -2.311 1.00 0.00 H new ATOM 471 N THR A 29 8.414 -6.540 -4.328 1.00 0.00 N ATOM 472 CA THR A 29 8.551 -7.940 -4.276 1.00 0.00 C ATOM 473 C THR A 29 9.392 -8.445 -5.455 1.00 0.00 C ATOM 474 O THR A 29 9.169 -8.056 -6.610 1.00 0.00 O ATOM 475 CB THR A 29 7.170 -8.655 -4.149 1.00 0.00 C ATOM 476 OG1 THR A 29 7.347 -10.020 -3.782 1.00 0.00 O ATOM 477 CG2 THR A 29 6.359 -8.580 -5.430 1.00 0.00 C ATOM 0 H THR A 29 7.495 -6.204 -4.617 1.00 0.00 H new ATOM 0 HA THR A 29 9.095 -8.200 -3.368 1.00 0.00 H new ATOM 0 HB THR A 29 6.616 -8.130 -3.371 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.353 -10.577 -4.588 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.407 -9.092 -5.289 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.175 -7.536 -5.683 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.912 -9.058 -6.239 1.00 0.00 H new ATOM 485 N PRO A 30 10.426 -9.243 -5.164 1.00 0.00 N ATOM 486 CA PRO A 30 11.299 -9.793 -6.189 1.00 0.00 C ATOM 487 C PRO A 30 10.599 -10.893 -6.988 1.00 0.00 C ATOM 488 O PRO A 30 10.857 -11.084 -8.176 1.00 0.00 O ATOM 489 CB PRO A 30 12.476 -10.361 -5.380 1.00 0.00 C ATOM 490 CG PRO A 30 11.913 -10.662 -4.035 1.00 0.00 C ATOM 491 CD PRO A 30 10.845 -9.637 -3.795 1.00 0.00 C ATOM 0 HA PRO A 30 11.604 -9.052 -6.928 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.879 -11.259 -5.848 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.292 -9.642 -5.314 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.501 -11.670 -4.001 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.685 -10.608 -3.268 1.00 0.00 H new ATOM 0 HD2 PRO A 30 10.013 -10.050 -3.224 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.226 -8.785 -3.231 1.00 0.00 H new ATOM 499 N ASP A 31 9.672 -11.564 -6.339 1.00 0.00 N ATOM 500 CA ASP A 31 8.954 -12.678 -6.919 1.00 0.00 C ATOM 501 C ASP A 31 7.602 -12.720 -6.275 1.00 0.00 C ATOM 502 O ASP A 31 7.482 -12.343 -5.109 1.00 0.00 O ATOM 503 CB ASP A 31 9.664 -13.983 -6.571 1.00 0.00 C ATOM 504 CG ASP A 31 9.112 -15.188 -7.299 1.00 0.00 C ATOM 505 OD1 ASP A 31 8.165 -15.812 -6.804 1.00 0.00 O ATOM 506 OD2 ASP A 31 9.627 -15.538 -8.385 1.00 0.00 O ATOM 0 H ASP A 31 9.392 -11.348 -5.382 1.00 0.00 H new ATOM 0 HA ASP A 31 8.894 -12.562 -8.001 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.724 -13.883 -6.804 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.588 -14.152 -5.497 1.00 0.00 H new ATOM 511 N PRO A 32 6.557 -13.137 -6.987 1.00 0.00 N ATOM 512 CA PRO A 32 5.233 -13.306 -6.403 1.00 0.00 C ATOM 513 C PRO A 32 5.192 -14.273 -5.193 1.00 0.00 C ATOM 514 O PRO A 32 4.268 -14.229 -4.394 1.00 0.00 O ATOM 515 CB PRO A 32 4.387 -13.869 -7.534 1.00 0.00 C ATOM 516 CG PRO A 32 5.351 -14.287 -8.592 1.00 0.00 C ATOM 517 CD PRO A 32 6.538 -13.398 -8.440 1.00 0.00 C ATOM 0 HA PRO A 32 4.880 -12.353 -6.008 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.790 -14.715 -7.192 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.691 -13.120 -7.912 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.630 -15.334 -8.474 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.911 -14.184 -9.584 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.454 -13.883 -8.777 1.00 0.00 H new ATOM 0 HD3 PRO A 32 6.433 -12.479 -9.016 1.00 0.00 H new ATOM 525 N ALA A 33 6.186 -15.128 -5.048 1.00 0.00 N ATOM 526 CA ALA A 33 6.188 -16.053 -3.929 1.00 0.00 C ATOM 527 C ALA A 33 6.556 -15.366 -2.622 1.00 0.00 C ATOM 528 O ALA A 33 6.201 -15.831 -1.542 1.00 0.00 O ATOM 529 CB ALA A 33 7.069 -17.257 -4.185 1.00 0.00 C ATOM 0 H ALA A 33 6.987 -15.203 -5.675 1.00 0.00 H new ATOM 0 HA ALA A 33 5.166 -16.417 -3.828 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.039 -17.920 -3.321 1.00 0.00 H new ATOM 0 HB2 ALA A 33 6.709 -17.791 -5.065 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.094 -16.928 -4.354 1.00 0.00 H new ATOM 535 N ALA A 34 7.195 -14.215 -2.719 1.00 0.00 N ATOM 536 CA ALA A 34 7.573 -13.461 -1.534 1.00 0.00 C ATOM 537 C ALA A 34 6.342 -12.825 -0.892 1.00 0.00 C ATOM 538 O ALA A 34 6.397 -12.302 0.228 1.00 0.00 O ATOM 539 CB ALA A 34 8.611 -12.411 -1.886 1.00 0.00 C ATOM 0 H ALA A 34 7.463 -13.781 -3.602 1.00 0.00 H new ATOM 0 HA ALA A 34 8.015 -14.144 -0.809 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.884 -11.855 -0.989 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.496 -12.898 -2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.199 -11.726 -2.627 1.00 0.00 H new ATOM 545 N LEU A 35 5.229 -12.938 -1.594 1.00 0.00 N ATOM 546 CA LEU A 35 3.971 -12.381 -1.191 1.00 0.00 C ATOM 547 C LEU A 35 3.146 -13.412 -0.419 1.00 0.00 C ATOM 548 O LEU A 35 2.016 -13.144 -0.044 1.00 0.00 O ATOM 549 CB LEU A 35 3.190 -12.008 -2.432 1.00 0.00 C ATOM 550 CG LEU A 35 3.898 -11.098 -3.409 1.00 0.00 C ATOM 551 CD1 LEU A 35 3.182 -11.120 -4.731 1.00 0.00 C ATOM 552 CD2 LEU A 35 3.963 -9.695 -2.862 1.00 0.00 C ATOM 0 H LEU A 35 5.185 -13.435 -2.483 1.00 0.00 H new ATOM 0 HA LEU A 35 4.160 -11.514 -0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.914 -12.925 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.263 -11.526 -2.123 1.00 0.00 H new ATOM 0 HG LEU A 35 4.918 -11.453 -3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.695 -10.463 -5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.175 -12.137 -5.124 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.157 -10.776 -4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.475 -9.050 -3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.952 -9.322 -2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.508 -9.697 -1.918 1.00 0.00 H new ATOM 564 N LYS A 36 3.684 -14.607 -0.236 1.00 0.00 N ATOM 565 CA LYS A 36 2.941 -15.671 0.449 1.00 0.00 C ATOM 566 C LYS A 36 3.800 -16.385 1.503 1.00 0.00 C ATOM 567 O LYS A 36 3.473 -17.490 1.957 1.00 0.00 O ATOM 568 CB LYS A 36 2.393 -16.660 -0.589 1.00 0.00 C ATOM 569 CG LYS A 36 3.475 -17.273 -1.447 1.00 0.00 C ATOM 570 CD LYS A 36 2.928 -18.088 -2.613 1.00 0.00 C ATOM 571 CE LYS A 36 2.219 -17.211 -3.643 1.00 0.00 C ATOM 572 NZ LYS A 36 1.763 -17.998 -4.809 1.00 0.00 N ATOM 0 H LYS A 36 4.620 -14.870 -0.545 1.00 0.00 H new ATOM 0 HA LYS A 36 2.107 -15.219 0.986 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.850 -17.454 -0.076 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.676 -16.146 -1.229 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.115 -16.480 -1.835 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.102 -17.914 -0.827 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.745 -18.624 -3.095 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.233 -18.838 -2.236 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.364 -16.721 -3.177 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.894 -16.423 -3.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.286 -17.370 -5.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.582 -18.445 -5.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.099 -18.734 -4.493 1.00 0.00 H new ATOM 586 N ASP A 37 4.861 -15.742 1.931 1.00 0.00 N ATOM 587 CA ASP A 37 5.754 -16.312 2.900 1.00 0.00 C ATOM 588 C ASP A 37 5.290 -15.871 4.251 1.00 0.00 C ATOM 589 O ASP A 37 4.357 -15.084 4.364 1.00 0.00 O ATOM 590 CB ASP A 37 7.168 -15.769 2.647 1.00 0.00 C ATOM 591 CG ASP A 37 8.237 -16.386 3.508 1.00 0.00 C ATOM 592 OD1 ASP A 37 8.484 -17.585 3.398 1.00 0.00 O ATOM 593 OD2 ASP A 37 8.783 -15.675 4.351 1.00 0.00 O ATOM 0 H ASP A 37 5.125 -14.809 1.614 1.00 0.00 H new ATOM 0 HA ASP A 37 5.766 -17.400 2.833 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.424 -15.931 1.600 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.164 -14.691 2.811 1.00 0.00 H new ATOM 598 N ARG A 38 5.935 -16.341 5.254 1.00 0.00 N ATOM 599 CA ARG A 38 5.724 -15.896 6.596 1.00 0.00 C ATOM 600 C ARG A 38 6.062 -14.410 6.684 1.00 0.00 C ATOM 601 O ARG A 38 5.552 -13.687 7.505 1.00 0.00 O ATOM 602 CB ARG A 38 6.603 -16.750 7.521 1.00 0.00 C ATOM 603 CG ARG A 38 8.121 -16.748 7.228 1.00 0.00 C ATOM 604 CD ARG A 38 8.791 -15.457 7.575 1.00 0.00 C ATOM 605 NE ARG A 38 10.220 -15.478 7.310 1.00 0.00 N ATOM 606 CZ ARG A 38 11.083 -14.531 7.678 1.00 0.00 C ATOM 607 NH1 ARG A 38 10.669 -13.474 8.395 1.00 0.00 N ATOM 608 NH2 ARG A 38 12.358 -14.644 7.332 1.00 0.00 N ATOM 0 H ARG A 38 6.646 -17.067 5.170 1.00 0.00 H new ATOM 0 HA ARG A 38 4.685 -16.013 6.904 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.453 -16.408 8.545 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.248 -17.780 7.474 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.593 -17.556 7.788 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.280 -16.958 6.170 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.332 -14.649 7.005 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.624 -15.238 8.630 1.00 0.00 H new ATOM 0 HE ARG A 38 10.592 -16.281 6.802 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.688 -13.391 8.662 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.335 -12.754 8.673 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.670 -15.450 6.790 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.027 -13.925 7.608 1.00 0.00 H new ATOM 622 N ARG A 39 6.941 -13.974 5.783 1.00 0.00 N ATOM 623 CA ARG A 39 7.378 -12.618 5.711 1.00 0.00 C ATOM 624 C ARG A 39 6.178 -11.720 5.369 1.00 0.00 C ATOM 625 O ARG A 39 6.090 -10.555 5.777 1.00 0.00 O ATOM 626 CB ARG A 39 8.420 -12.504 4.619 1.00 0.00 C ATOM 627 CG ARG A 39 9.065 -11.141 4.490 1.00 0.00 C ATOM 628 CD ARG A 39 9.860 -11.049 3.206 1.00 0.00 C ATOM 629 NE ARG A 39 10.906 -12.080 3.108 1.00 0.00 N ATOM 630 CZ ARG A 39 11.007 -12.984 2.110 1.00 0.00 C ATOM 631 NH1 ARG A 39 10.088 -13.036 1.148 1.00 0.00 N ATOM 632 NH2 ARG A 39 12.020 -13.838 2.079 1.00 0.00 N ATOM 0 H ARG A 39 7.365 -14.579 5.079 1.00 0.00 H new ATOM 0 HA ARG A 39 7.804 -12.307 6.665 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.200 -13.242 4.804 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.956 -12.761 3.667 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.298 -10.367 4.506 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.719 -10.960 5.343 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.183 -11.143 2.357 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.320 -10.063 3.139 1.00 0.00 H new ATOM 0 HE ARG A 39 11.606 -12.114 3.849 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.299 -12.389 1.161 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.173 -13.722 0.398 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.729 -13.815 2.812 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.090 -14.518 1.322 1.00 0.00 H new ATOM 646 N MET A 40 5.247 -12.315 4.648 1.00 0.00 N ATOM 647 CA MET A 40 4.056 -11.664 4.183 1.00 0.00 C ATOM 648 C MET A 40 3.152 -11.250 5.314 1.00 0.00 C ATOM 649 O MET A 40 2.588 -10.202 5.248 1.00 0.00 O ATOM 650 CB MET A 40 3.348 -12.527 3.115 1.00 0.00 C ATOM 651 CG MET A 40 1.872 -12.231 2.826 1.00 0.00 C ATOM 652 SD MET A 40 1.483 -10.495 2.480 1.00 0.00 S ATOM 653 CE MET A 40 2.688 -10.045 1.260 1.00 0.00 C ATOM 0 H MET A 40 5.309 -13.293 4.366 1.00 0.00 H new ATOM 0 HA MET A 40 4.345 -10.732 3.698 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.900 -12.425 2.181 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.428 -13.570 3.420 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.558 -12.833 1.974 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.279 -12.555 3.681 1.00 0.00 H new ATOM 0 HE1 MET A 40 3.332 -9.261 1.657 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.291 -10.916 1.006 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.182 -9.681 0.366 1.00 0.00 H new ATOM 663 N GLU A 41 3.086 -12.022 6.391 1.00 0.00 N ATOM 664 CA GLU A 41 2.208 -11.639 7.496 1.00 0.00 C ATOM 665 C GLU A 41 2.692 -10.310 8.097 1.00 0.00 C ATOM 666 O GLU A 41 1.909 -9.504 8.487 1.00 0.00 O ATOM 667 CB GLU A 41 2.118 -12.735 8.559 1.00 0.00 C ATOM 668 CG GLU A 41 3.367 -12.901 9.373 1.00 0.00 C ATOM 669 CD GLU A 41 3.344 -14.128 10.216 1.00 0.00 C ATOM 670 OE1 GLU A 41 2.797 -14.079 11.329 1.00 0.00 O ATOM 671 OE2 GLU A 41 3.864 -15.171 9.789 1.00 0.00 O ATOM 0 H GLU A 41 3.608 -12.888 6.525 1.00 0.00 H new ATOM 0 HA GLU A 41 1.199 -11.505 7.107 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.288 -12.510 9.228 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.886 -13.682 8.071 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.228 -12.939 8.706 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.498 -12.028 10.012 1.00 0.00 H new ATOM 678 N ASN A 42 4.008 -10.100 8.075 1.00 0.00 N ATOM 679 CA ASN A 42 4.639 -8.850 8.533 1.00 0.00 C ATOM 680 C ASN A 42 4.300 -7.714 7.578 1.00 0.00 C ATOM 681 O ASN A 42 3.831 -6.637 7.987 1.00 0.00 O ATOM 682 CB ASN A 42 6.179 -9.045 8.602 1.00 0.00 C ATOM 683 CG ASN A 42 6.996 -7.742 8.664 1.00 0.00 C ATOM 684 OD1 ASN A 42 7.279 -7.204 9.741 1.00 0.00 O ATOM 685 ND2 ASN A 42 7.409 -7.260 7.508 1.00 0.00 N ATOM 0 H ASN A 42 4.676 -10.793 7.738 1.00 0.00 H new ATOM 0 HA ASN A 42 4.262 -8.597 9.524 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.415 -9.647 9.480 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.498 -9.615 7.729 1.00 0.00 H new ATOM 0 HD21 ASN A 42 7.982 -6.416 7.483 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.156 -7.731 6.639 1.00 0.00 H new ATOM 692 N LEU A 43 4.507 -7.984 6.304 1.00 0.00 N ATOM 693 CA LEU A 43 4.311 -7.004 5.247 1.00 0.00 C ATOM 694 C LEU A 43 2.854 -6.587 5.169 1.00 0.00 C ATOM 695 O LEU A 43 2.525 -5.393 5.147 1.00 0.00 O ATOM 696 CB LEU A 43 4.742 -7.603 3.911 1.00 0.00 C ATOM 697 CG LEU A 43 6.174 -8.137 3.838 1.00 0.00 C ATOM 698 CD1 LEU A 43 6.419 -8.819 2.509 1.00 0.00 C ATOM 699 CD2 LEU A 43 7.186 -7.022 4.063 1.00 0.00 C ATOM 0 H LEU A 43 4.818 -8.895 5.968 1.00 0.00 H new ATOM 0 HA LEU A 43 4.915 -6.124 5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.060 -8.417 3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.621 -6.842 3.140 1.00 0.00 H new ATOM 0 HG LEU A 43 6.301 -8.872 4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.442 -9.192 2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.725 -9.651 2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.266 -8.105 1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.195 -7.430 4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.060 -6.256 3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.028 -6.581 5.047 1.00 0.00 H new ATOM 711 N VAL A 44 1.987 -7.568 5.165 1.00 0.00 N ATOM 712 CA VAL A 44 0.590 -7.331 5.054 1.00 0.00 C ATOM 713 C VAL A 44 0.049 -6.765 6.355 1.00 0.00 C ATOM 714 O VAL A 44 -0.901 -6.033 6.332 1.00 0.00 O ATOM 715 CB VAL A 44 -0.201 -8.601 4.617 1.00 0.00 C ATOM 716 CG1 VAL A 44 -0.462 -9.581 5.752 1.00 0.00 C ATOM 717 CG2 VAL A 44 -1.463 -8.246 3.863 1.00 0.00 C ATOM 0 H VAL A 44 2.242 -8.553 5.239 1.00 0.00 H new ATOM 0 HA VAL A 44 0.446 -6.595 4.263 1.00 0.00 H new ATOM 0 HB VAL A 44 0.452 -9.133 3.925 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.017 -10.439 5.372 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.488 -9.918 6.167 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.044 -9.089 6.531 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.985 -9.159 3.577 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.110 -7.643 4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.205 -7.680 2.968 1.00 0.00 H new ATOM 727 N ALA A 45 0.686 -7.089 7.491 1.00 0.00 N ATOM 728 CA ALA A 45 0.269 -6.538 8.786 1.00 0.00 C ATOM 729 C ALA A 45 0.396 -5.033 8.745 1.00 0.00 C ATOM 730 O ALA A 45 -0.521 -4.312 9.148 1.00 0.00 O ATOM 731 CB ALA A 45 1.090 -7.103 9.938 1.00 0.00 C ATOM 0 H ALA A 45 1.483 -7.723 7.538 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.768 -6.824 8.961 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.747 -6.668 10.877 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.969 -8.186 9.974 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.142 -6.860 9.788 1.00 0.00 H new ATOM 737 N TYR A 46 1.530 -4.567 8.221 1.00 0.00 N ATOM 738 CA TYR A 46 1.749 -3.137 7.995 1.00 0.00 C ATOM 739 C TYR A 46 0.708 -2.600 7.029 1.00 0.00 C ATOM 740 O TYR A 46 0.115 -1.564 7.268 1.00 0.00 O ATOM 741 CB TYR A 46 3.178 -2.869 7.436 1.00 0.00 C ATOM 742 CG TYR A 46 3.339 -1.530 6.686 1.00 0.00 C ATOM 743 CD1 TYR A 46 3.078 -1.446 5.307 1.00 0.00 C ATOM 744 CD2 TYR A 46 3.722 -0.366 7.336 1.00 0.00 C ATOM 745 CE1 TYR A 46 3.200 -0.256 4.619 1.00 0.00 C ATOM 746 CE2 TYR A 46 3.843 0.829 6.639 1.00 0.00 C ATOM 747 CZ TYR A 46 3.581 0.876 5.291 1.00 0.00 C ATOM 748 OH TYR A 46 3.708 2.069 4.614 1.00 0.00 O ATOM 0 H TYR A 46 2.313 -5.160 7.944 1.00 0.00 H new ATOM 0 HA TYR A 46 1.655 -2.624 8.952 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.887 -2.893 8.264 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.447 -3.682 6.761 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.775 -2.334 4.773 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.928 -0.389 8.396 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.997 -0.217 3.559 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.145 1.726 7.159 1.00 0.00 H new ATOM 0 HH TYR A 46 3.984 2.772 5.239 1.00 0.00 H new ATOM 758 N ALA A 47 0.491 -3.311 5.955 1.00 0.00 N ATOM 759 CA ALA A 47 -0.433 -2.866 4.943 1.00 0.00 C ATOM 760 C ALA A 47 -1.841 -2.733 5.511 1.00 0.00 C ATOM 761 O ALA A 47 -2.521 -1.779 5.244 1.00 0.00 O ATOM 762 CB ALA A 47 -0.395 -3.790 3.757 1.00 0.00 C ATOM 0 H ALA A 47 0.942 -4.204 5.757 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.128 -1.876 4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.098 -3.441 3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.611 -3.803 3.338 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.670 -4.797 4.071 1.00 0.00 H new ATOM 768 N LYS A 48 -2.221 -3.675 6.348 1.00 0.00 N ATOM 769 CA LYS A 48 -3.521 -3.684 7.006 1.00 0.00 C ATOM 770 C LYS A 48 -3.636 -2.559 8.012 1.00 0.00 C ATOM 771 O LYS A 48 -4.661 -1.892 8.082 1.00 0.00 O ATOM 772 CB LYS A 48 -3.717 -4.994 7.737 1.00 0.00 C ATOM 773 CG LYS A 48 -3.844 -6.209 6.838 1.00 0.00 C ATOM 774 CD LYS A 48 -3.795 -7.474 7.660 1.00 0.00 C ATOM 775 CE LYS A 48 -3.924 -8.727 6.811 1.00 0.00 C ATOM 776 NZ LYS A 48 -5.216 -8.800 6.107 1.00 0.00 N ATOM 0 H LYS A 48 -1.631 -4.469 6.597 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.281 -3.555 6.235 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.876 -5.146 8.414 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.613 -4.920 8.353 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.781 -6.163 6.283 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.039 -6.213 6.104 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.856 -7.508 8.212 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.597 -7.455 8.398 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.114 -8.753 6.082 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.809 -9.606 7.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.319 -9.736 5.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.990 -8.650 6.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.253 -8.066 5.372 1.00 0.00 H new ATOM 790 N LYS A 49 -2.589 -2.355 8.796 1.00 0.00 N ATOM 791 CA LYS A 49 -2.604 -1.331 9.829 1.00 0.00 C ATOM 792 C LYS A 49 -2.688 0.052 9.189 1.00 0.00 C ATOM 793 O LYS A 49 -3.423 0.937 9.664 1.00 0.00 O ATOM 794 CB LYS A 49 -1.381 -1.470 10.776 1.00 0.00 C ATOM 795 CG LYS A 49 -0.045 -1.147 10.211 1.00 0.00 C ATOM 796 CD LYS A 49 1.057 -1.474 11.215 1.00 0.00 C ATOM 797 CE LYS A 49 2.383 -0.814 10.864 1.00 0.00 C ATOM 798 NZ LYS A 49 2.352 0.656 11.066 1.00 0.00 N ATOM 0 H LYS A 49 -1.719 -2.884 8.737 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.490 -1.465 10.449 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.547 -0.826 11.640 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.353 -2.496 11.144 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.113 -1.712 9.292 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.002 -0.090 9.947 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.746 -1.151 12.208 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.194 -2.554 11.260 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.175 -1.246 11.476 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.630 -1.030 9.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.319 1.034 11.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.767 1.096 10.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.948 0.870 12.000 1.00 0.00 H new ATOM 812 N VAL A 50 -1.989 0.193 8.081 1.00 0.00 N ATOM 813 CA VAL A 50 -1.972 1.399 7.306 1.00 0.00 C ATOM 814 C VAL A 50 -3.307 1.599 6.608 1.00 0.00 C ATOM 815 O VAL A 50 -3.910 2.661 6.727 1.00 0.00 O ATOM 816 CB VAL A 50 -0.795 1.376 6.291 1.00 0.00 C ATOM 817 CG1 VAL A 50 -0.915 2.462 5.244 1.00 0.00 C ATOM 818 CG2 VAL A 50 0.506 1.540 7.041 1.00 0.00 C ATOM 0 H VAL A 50 -1.407 -0.549 7.693 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.816 2.246 7.974 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.823 0.419 5.770 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.069 2.403 4.560 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.842 2.329 4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.921 3.437 5.730 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.337 1.525 6.336 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.501 2.490 7.575 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.620 0.723 7.754 1.00 0.00 H new ATOM 828 N GLU A 51 -3.784 0.559 5.932 1.00 0.00 N ATOM 829 CA GLU A 51 -5.064 0.580 5.233 1.00 0.00 C ATOM 830 C GLU A 51 -6.158 0.953 6.211 1.00 0.00 C ATOM 831 O GLU A 51 -6.957 1.829 5.939 1.00 0.00 O ATOM 832 CB GLU A 51 -5.299 -0.798 4.580 1.00 0.00 C ATOM 833 CG GLU A 51 -6.535 -0.957 3.694 1.00 0.00 C ATOM 834 CD GLU A 51 -7.824 -1.305 4.459 1.00 0.00 C ATOM 835 OE1 GLU A 51 -7.749 -1.932 5.550 1.00 0.00 O ATOM 836 OE2 GLU A 51 -8.926 -1.009 3.970 1.00 0.00 O ATOM 0 H GLU A 51 -3.289 -0.329 5.853 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.067 1.327 4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.422 -1.040 3.980 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.357 -1.542 5.375 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.693 -0.030 3.142 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.342 -1.737 2.958 1.00 0.00 H new ATOM 843 N GLY A 52 -6.110 0.345 7.381 1.00 0.00 N ATOM 844 CA GLY A 52 -7.065 0.614 8.423 1.00 0.00 C ATOM 845 C GLY A 52 -7.001 2.035 8.914 1.00 0.00 C ATOM 846 O GLY A 52 -8.027 2.639 9.191 1.00 0.00 O ATOM 0 H GLY A 52 -5.405 -0.349 7.630 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.069 0.406 8.053 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.887 -0.063 9.258 1.00 0.00 H new ATOM 850 N ASP A 53 -5.798 2.575 9.002 1.00 0.00 N ATOM 851 CA ASP A 53 -5.589 3.958 9.446 1.00 0.00 C ATOM 852 C ASP A 53 -6.324 4.908 8.516 1.00 0.00 C ATOM 853 O ASP A 53 -7.164 5.686 8.945 1.00 0.00 O ATOM 854 CB ASP A 53 -4.100 4.286 9.441 1.00 0.00 C ATOM 855 CG ASP A 53 -3.765 5.637 10.052 1.00 0.00 C ATOM 856 OD1 ASP A 53 -3.810 6.676 9.343 1.00 0.00 O ATOM 857 OD2 ASP A 53 -3.408 5.682 11.263 1.00 0.00 O ATOM 0 H ASP A 53 -4.938 2.078 8.771 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.976 4.070 10.459 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.565 3.509 9.987 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.736 4.262 8.414 1.00 0.00 H new ATOM 862 N MET A 54 -6.043 4.788 7.238 1.00 0.00 N ATOM 863 CA MET A 54 -6.688 5.618 6.214 1.00 0.00 C ATOM 864 C MET A 54 -8.163 5.320 6.054 1.00 0.00 C ATOM 865 O MET A 54 -8.946 6.223 5.811 1.00 0.00 O ATOM 866 CB MET A 54 -5.944 5.603 4.866 1.00 0.00 C ATOM 867 CG MET A 54 -5.325 4.295 4.477 1.00 0.00 C ATOM 868 SD MET A 54 -3.575 4.520 4.015 1.00 0.00 S ATOM 869 CE MET A 54 -2.910 5.379 5.457 1.00 0.00 C ATOM 0 H MET A 54 -5.367 4.120 6.868 1.00 0.00 H new ATOM 0 HA MET A 54 -6.619 6.639 6.589 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.643 5.900 4.084 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.160 6.360 4.897 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.400 3.591 5.306 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.874 3.862 3.641 1.00 0.00 H new ATOM 0 HE1 MET A 54 -1.826 5.266 5.480 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.164 6.437 5.399 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.338 4.952 6.364 1.00 0.00 H new ATOM 879 N TYR A 55 -8.532 4.076 6.226 1.00 0.00 N ATOM 880 CA TYR A 55 -9.920 3.638 6.172 1.00 0.00 C ATOM 881 C TYR A 55 -10.711 4.360 7.275 1.00 0.00 C ATOM 882 O TYR A 55 -11.708 5.004 7.018 1.00 0.00 O ATOM 883 CB TYR A 55 -9.918 2.112 6.377 1.00 0.00 C ATOM 884 CG TYR A 55 -11.237 1.388 6.362 1.00 0.00 C ATOM 885 CD1 TYR A 55 -11.868 1.042 5.172 1.00 0.00 C ATOM 886 CD2 TYR A 55 -11.813 0.989 7.546 1.00 0.00 C ATOM 887 CE1 TYR A 55 -13.050 0.318 5.181 1.00 0.00 C ATOM 888 CE2 TYR A 55 -12.987 0.281 7.565 1.00 0.00 C ATOM 889 CZ TYR A 55 -13.602 -0.059 6.391 1.00 0.00 C ATOM 890 OH TYR A 55 -14.769 -0.793 6.432 1.00 0.00 O ATOM 0 H TYR A 55 -7.872 3.320 6.411 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.392 3.875 5.219 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.289 1.673 5.602 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.436 1.906 7.333 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.432 1.341 4.230 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.331 1.239 8.479 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -13.534 0.051 4.253 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -13.427 -0.009 8.508 1.00 0.00 H new ATOM 0 HH TYR A 55 -15.012 -0.970 7.365 1.00 0.00 H new ATOM 900 N GLU A 56 -10.189 4.327 8.481 1.00 0.00 N ATOM 901 CA GLU A 56 -10.846 4.963 9.618 1.00 0.00 C ATOM 902 C GLU A 56 -10.660 6.482 9.626 1.00 0.00 C ATOM 903 O GLU A 56 -11.394 7.196 10.298 1.00 0.00 O ATOM 904 CB GLU A 56 -10.360 4.363 10.926 1.00 0.00 C ATOM 905 CG GLU A 56 -10.760 2.915 11.114 1.00 0.00 C ATOM 906 CD GLU A 56 -12.250 2.736 11.267 1.00 0.00 C ATOM 907 OE1 GLU A 56 -12.801 3.116 12.324 1.00 0.00 O ATOM 908 OE2 GLU A 56 -12.892 2.198 10.359 1.00 0.00 O ATOM 0 H GLU A 56 -9.308 3.866 8.707 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.914 4.769 9.514 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.274 4.440 10.970 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.755 4.951 11.755 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.415 2.333 10.259 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.258 2.516 11.995 1.00 0.00 H new ATOM 915 N SER A 57 -9.701 6.966 8.891 1.00 0.00 N ATOM 916 CA SER A 57 -9.445 8.392 8.816 1.00 0.00 C ATOM 917 C SER A 57 -10.298 9.045 7.721 1.00 0.00 C ATOM 918 O SER A 57 -10.675 10.212 7.827 1.00 0.00 O ATOM 919 CB SER A 57 -7.948 8.652 8.561 1.00 0.00 C ATOM 920 OG SER A 57 -7.624 10.036 8.598 1.00 0.00 O ATOM 0 H SER A 57 -9.072 6.395 8.326 1.00 0.00 H new ATOM 0 HA SER A 57 -9.721 8.840 9.771 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.358 8.123 9.309 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.671 8.243 7.589 1.00 0.00 H new ATOM 0 HG SER A 57 -6.665 10.152 8.433 1.00 0.00 H new ATOM 926 N ALA A 58 -10.598 8.307 6.675 1.00 0.00 N ATOM 927 CA ALA A 58 -11.357 8.848 5.577 1.00 0.00 C ATOM 928 C ALA A 58 -12.832 8.825 5.859 1.00 0.00 C ATOM 929 O ALA A 58 -13.311 8.069 6.717 1.00 0.00 O ATOM 930 CB ALA A 58 -11.068 8.115 4.308 1.00 0.00 C ATOM 0 H ALA A 58 -10.326 7.330 6.565 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.049 9.887 5.459 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.655 8.546 3.497 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.007 8.200 4.072 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.330 7.064 4.427 1.00 0.00 H new ATOM 936 N ASN A 59 -13.549 9.639 5.150 1.00 0.00 N ATOM 937 CA ASN A 59 -14.982 9.757 5.349 1.00 0.00 C ATOM 938 C ASN A 59 -15.729 9.139 4.186 1.00 0.00 C ATOM 939 O ASN A 59 -16.952 9.255 4.065 1.00 0.00 O ATOM 940 CB ASN A 59 -15.357 11.223 5.552 1.00 0.00 C ATOM 941 CG ASN A 59 -15.568 12.008 4.261 1.00 0.00 C ATOM 942 OD1 ASN A 59 -16.698 12.144 3.792 1.00 0.00 O ATOM 943 ND2 ASN A 59 -14.507 12.492 3.663 1.00 0.00 N ATOM 0 H ASN A 59 -13.173 10.242 4.419 1.00 0.00 H new ATOM 0 HA ASN A 59 -15.271 9.210 6.247 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.270 11.272 6.145 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -14.573 11.708 6.133 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.604 12.998 2.783 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.584 12.362 4.078 1.00 0.00 H new ATOM 950 N SER A 60 -14.989 8.486 3.346 1.00 0.00 N ATOM 951 CA SER A 60 -15.522 7.738 2.267 1.00 0.00 C ATOM 952 C SER A 60 -14.482 6.778 1.825 1.00 0.00 C ATOM 953 O SER A 60 -13.294 6.948 2.137 1.00 0.00 O ATOM 954 CB SER A 60 -15.918 8.620 1.098 1.00 0.00 C ATOM 955 OG SER A 60 -14.807 9.328 0.581 1.00 0.00 O ATOM 0 H SER A 60 -13.971 8.462 3.399 1.00 0.00 H new ATOM 0 HA SER A 60 -16.424 7.228 2.606 1.00 0.00 H new ATOM 0 HB2 SER A 60 -16.358 8.007 0.311 1.00 0.00 H new ATOM 0 HB3 SER A 60 -16.684 9.327 1.417 1.00 0.00 H new ATOM 0 HG SER A 60 -15.096 9.885 -0.172 1.00 0.00 H new ATOM 961 N ARG A 61 -14.894 5.759 1.125 1.00 0.00 N ATOM 962 CA ARG A 61 -13.944 4.819 0.596 1.00 0.00 C ATOM 963 C ARG A 61 -13.184 5.440 -0.543 1.00 0.00 C ATOM 964 O ARG A 61 -12.060 5.084 -0.799 1.00 0.00 O ATOM 965 CB ARG A 61 -14.558 3.478 0.160 1.00 0.00 C ATOM 966 CG ARG A 61 -15.467 3.497 -1.071 1.00 0.00 C ATOM 967 CD ARG A 61 -16.699 4.302 -0.835 1.00 0.00 C ATOM 968 NE ARG A 61 -17.668 4.165 -1.940 1.00 0.00 N ATOM 969 CZ ARG A 61 -18.826 4.861 -2.091 1.00 0.00 C ATOM 970 NH1 ARG A 61 -19.233 5.741 -1.180 1.00 0.00 N ATOM 971 NH2 ARG A 61 -19.580 4.653 -3.164 1.00 0.00 N ATOM 0 H ARG A 61 -15.870 5.558 0.908 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.267 4.581 1.417 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.744 2.779 -0.031 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -15.130 3.079 0.998 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.921 3.908 -1.920 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.744 2.476 -1.334 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -17.166 3.986 0.098 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.429 5.352 -0.717 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.447 3.480 -2.662 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -18.672 5.906 -0.344 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -20.106 6.250 -1.317 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.289 3.975 -3.868 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -20.450 5.171 -3.284 1.00 0.00 H new ATOM 985 N ASP A 62 -13.818 6.396 -1.196 1.00 0.00 N ATOM 986 CA ASP A 62 -13.231 7.097 -2.322 1.00 0.00 C ATOM 987 C ASP A 62 -12.047 7.881 -1.807 1.00 0.00 C ATOM 988 O ASP A 62 -10.950 7.771 -2.324 1.00 0.00 O ATOM 989 CB ASP A 62 -14.272 8.045 -2.906 1.00 0.00 C ATOM 990 CG ASP A 62 -13.879 8.668 -4.226 1.00 0.00 C ATOM 991 OD1 ASP A 62 -13.008 9.548 -4.256 1.00 0.00 O ATOM 992 OD2 ASP A 62 -14.497 8.308 -5.262 1.00 0.00 O ATOM 0 H ASP A 62 -14.759 6.709 -0.959 1.00 0.00 H new ATOM 0 HA ASP A 62 -12.910 6.402 -3.098 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -15.207 7.501 -3.039 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -14.466 8.840 -2.186 1.00 0.00 H new ATOM 997 N GLU A 63 -12.280 8.595 -0.711 1.00 0.00 N ATOM 998 CA GLU A 63 -11.252 9.356 -0.042 1.00 0.00 C ATOM 999 C GLU A 63 -10.153 8.450 0.482 1.00 0.00 C ATOM 1000 O GLU A 63 -8.976 8.701 0.240 1.00 0.00 O ATOM 1001 CB GLU A 63 -11.866 10.212 1.085 1.00 0.00 C ATOM 1002 CG GLU A 63 -10.859 10.862 2.022 1.00 0.00 C ATOM 1003 CD GLU A 63 -11.469 11.889 2.922 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -11.953 11.527 4.013 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -11.485 13.082 2.565 1.00 0.00 O ATOM 0 H GLU A 63 -13.196 8.657 -0.266 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.795 10.030 -0.767 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.477 10.994 0.634 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.535 9.584 1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.387 10.090 2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.071 11.328 1.431 1.00 0.00 H new ATOM 1012 N TYR A 64 -10.543 7.356 1.132 1.00 0.00 N ATOM 1013 CA TYR A 64 -9.586 6.460 1.741 1.00 0.00 C ATOM 1014 C TYR A 64 -8.707 5.808 0.685 1.00 0.00 C ATOM 1015 O TYR A 64 -7.479 5.834 0.796 1.00 0.00 O ATOM 1016 CB TYR A 64 -10.309 5.439 2.677 1.00 0.00 C ATOM 1017 CG TYR A 64 -10.056 3.995 2.413 1.00 0.00 C ATOM 1018 CD1 TYR A 64 -8.990 3.346 2.981 1.00 0.00 C ATOM 1019 CD2 TYR A 64 -10.882 3.293 1.571 1.00 0.00 C ATOM 1020 CE1 TYR A 64 -8.754 2.034 2.718 1.00 0.00 C ATOM 1021 CE2 TYR A 64 -10.651 1.984 1.292 1.00 0.00 C ATOM 1022 CZ TYR A 64 -9.583 1.357 1.872 1.00 0.00 C ATOM 1023 OH TYR A 64 -9.335 0.065 1.600 1.00 0.00 O ATOM 0 H TYR A 64 -11.517 7.076 1.246 1.00 0.00 H new ATOM 0 HA TYR A 64 -8.911 7.031 2.379 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.017 5.653 3.705 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.383 5.615 2.608 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -8.330 3.884 3.645 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -11.730 3.790 1.123 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.915 1.530 3.176 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -11.303 1.445 0.620 1.00 0.00 H new ATOM 0 HH TYR A 64 -9.090 -0.402 2.426 1.00 0.00 H new ATOM 1033 N TYR A 65 -9.343 5.290 -0.358 1.00 0.00 N ATOM 1034 CA TYR A 65 -8.662 4.663 -1.456 1.00 0.00 C ATOM 1035 C TYR A 65 -7.755 5.649 -2.139 1.00 0.00 C ATOM 1036 O TYR A 65 -6.598 5.352 -2.364 1.00 0.00 O ATOM 1037 CB TYR A 65 -9.688 4.002 -2.432 1.00 0.00 C ATOM 1038 CG TYR A 65 -9.221 3.740 -3.858 1.00 0.00 C ATOM 1039 CD1 TYR A 65 -7.968 3.203 -4.157 1.00 0.00 C ATOM 1040 CD2 TYR A 65 -10.053 4.062 -4.907 1.00 0.00 C ATOM 1041 CE1 TYR A 65 -7.575 3.008 -5.461 1.00 0.00 C ATOM 1042 CE2 TYR A 65 -9.666 3.876 -6.202 1.00 0.00 C ATOM 1043 CZ TYR A 65 -8.432 3.351 -6.480 1.00 0.00 C ATOM 1044 OH TYR A 65 -8.045 3.191 -7.785 1.00 0.00 O ATOM 0 H TYR A 65 -10.358 5.300 -0.455 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.029 3.860 -1.079 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.003 3.052 -1.999 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.571 4.640 -2.477 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.297 2.937 -3.353 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.031 4.470 -4.700 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.604 2.590 -5.682 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.333 4.143 -7.008 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.086 4.055 -8.247 1.00 0.00 H new ATOM 1054 N HIS A 66 -8.248 6.838 -2.387 1.00 0.00 N ATOM 1055 CA HIS A 66 -7.483 7.815 -3.111 1.00 0.00 C ATOM 1056 C HIS A 66 -6.281 8.296 -2.311 1.00 0.00 C ATOM 1057 O HIS A 66 -5.187 8.249 -2.809 1.00 0.00 O ATOM 1058 CB HIS A 66 -8.354 8.976 -3.562 1.00 0.00 C ATOM 1059 CG HIS A 66 -7.774 9.747 -4.707 1.00 0.00 C ATOM 1060 ND1 HIS A 66 -8.035 9.465 -6.039 1.00 0.00 N ATOM 1061 CD2 HIS A 66 -6.936 10.790 -4.711 1.00 0.00 C ATOM 1062 CE1 HIS A 66 -7.361 10.329 -6.785 1.00 0.00 C ATOM 1063 NE2 HIS A 66 -6.671 11.165 -6.030 1.00 0.00 N ATOM 0 H HIS A 66 -9.175 7.149 -2.097 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.097 7.327 -4.006 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.334 8.595 -3.850 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.510 9.652 -2.721 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -8.641 8.721 -6.385 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.528 11.267 -3.832 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -7.374 10.347 -7.865 1.00 0.00 H new ATOM 1071 N LEU A 67 -6.471 8.692 -1.056 1.00 0.00 N ATOM 1072 CA LEU A 67 -5.354 9.223 -0.259 1.00 0.00 C ATOM 1073 C LEU A 67 -4.269 8.149 -0.010 1.00 0.00 C ATOM 1074 O LEU A 67 -3.034 8.450 -0.005 1.00 0.00 O ATOM 1075 CB LEU A 67 -5.863 9.904 1.057 1.00 0.00 C ATOM 1076 CG LEU A 67 -6.493 9.017 2.154 1.00 0.00 C ATOM 1077 CD1 LEU A 67 -5.443 8.391 3.032 1.00 0.00 C ATOM 1078 CD2 LEU A 67 -7.475 9.790 3.001 1.00 0.00 C ATOM 0 H LEU A 67 -7.367 8.659 -0.570 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.870 10.008 -0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.021 10.433 1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.600 10.657 0.776 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.033 8.222 1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.924 7.775 3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.784 7.770 2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.860 9.174 3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.897 9.132 3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.963 10.622 3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.276 10.175 2.370 1.00 0.00 H new ATOM 1090 N LEU A 68 -4.705 6.894 0.161 1.00 0.00 N ATOM 1091 CA LEU A 68 -3.770 5.809 0.370 1.00 0.00 C ATOM 1092 C LEU A 68 -3.030 5.569 -0.932 1.00 0.00 C ATOM 1093 O LEU A 68 -1.812 5.357 -0.942 1.00 0.00 O ATOM 1094 CB LEU A 68 -4.494 4.528 0.919 1.00 0.00 C ATOM 1095 CG LEU A 68 -5.214 3.561 -0.028 1.00 0.00 C ATOM 1096 CD1 LEU A 68 -4.231 2.608 -0.676 1.00 0.00 C ATOM 1097 CD2 LEU A 68 -6.249 2.782 0.735 1.00 0.00 C ATOM 0 H LEU A 68 -5.687 6.619 0.157 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.043 6.073 1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.748 3.947 1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.229 4.865 1.650 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.698 4.142 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.766 1.932 -1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.496 3.176 -1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.723 2.030 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.759 2.096 0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.765 2.215 1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.975 3.470 1.169 1.00 0.00 H new ATOM 1109 N ALA A 69 -3.778 5.682 -2.033 1.00 0.00 N ATOM 1110 CA ALA A 69 -3.254 5.521 -3.364 1.00 0.00 C ATOM 1111 C ALA A 69 -2.257 6.602 -3.673 1.00 0.00 C ATOM 1112 O ALA A 69 -1.272 6.355 -4.313 1.00 0.00 O ATOM 1113 CB ALA A 69 -4.362 5.539 -4.393 1.00 0.00 C ATOM 0 H ALA A 69 -4.776 5.891 -2.009 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.756 4.552 -3.408 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.936 5.415 -5.389 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.058 4.725 -4.192 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.892 6.490 -4.341 1.00 0.00 H new ATOM 1119 N GLU A 70 -2.496 7.793 -3.177 1.00 0.00 N ATOM 1120 CA GLU A 70 -1.600 8.889 -3.452 1.00 0.00 C ATOM 1121 C GLU A 70 -0.273 8.668 -2.788 1.00 0.00 C ATOM 1122 O GLU A 70 0.788 8.876 -3.407 1.00 0.00 O ATOM 1123 CB GLU A 70 -2.160 10.229 -3.024 1.00 0.00 C ATOM 1124 CG GLU A 70 -3.519 10.536 -3.586 1.00 0.00 C ATOM 1125 CD GLU A 70 -3.774 12.008 -3.633 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -4.257 12.578 -2.644 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -3.461 12.637 -4.662 1.00 0.00 O ATOM 0 H GLU A 70 -3.295 8.026 -2.587 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.474 8.915 -4.534 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.214 10.257 -1.936 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.467 11.014 -3.329 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.601 10.120 -4.590 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.283 10.053 -2.977 1.00 0.00 H new ATOM 1134 N LYS A 71 -0.302 8.227 -1.539 1.00 0.00 N ATOM 1135 CA LYS A 71 0.947 8.019 -0.850 1.00 0.00 C ATOM 1136 C LYS A 71 1.711 6.818 -1.412 1.00 0.00 C ATOM 1137 O LYS A 71 2.916 6.880 -1.565 1.00 0.00 O ATOM 1138 CB LYS A 71 0.790 7.997 0.695 1.00 0.00 C ATOM 1139 CG LYS A 71 0.148 6.763 1.341 1.00 0.00 C ATOM 1140 CD LYS A 71 1.149 5.619 1.509 1.00 0.00 C ATOM 1141 CE LYS A 71 0.697 4.633 2.564 1.00 0.00 C ATOM 1142 NZ LYS A 71 0.639 5.279 3.899 1.00 0.00 N ATOM 0 H LYS A 71 -1.145 8.015 -1.005 1.00 0.00 H new ATOM 0 HA LYS A 71 1.570 8.891 -1.049 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.780 8.124 1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.201 8.868 0.982 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.260 7.034 2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.688 6.426 0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.275 5.102 0.558 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.123 6.024 1.783 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.285 4.239 2.303 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.383 3.786 2.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.766 4.559 4.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.395 5.990 3.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.284 5.742 4.021 1.00 0.00 H new ATOM 1156 N ILE A 72 1.000 5.751 -1.757 1.00 0.00 N ATOM 1157 CA ILE A 72 1.655 4.570 -2.311 1.00 0.00 C ATOM 1158 C ILE A 72 2.274 4.901 -3.673 1.00 0.00 C ATOM 1159 O ILE A 72 3.387 4.512 -3.964 1.00 0.00 O ATOM 1160 CB ILE A 72 0.691 3.337 -2.421 1.00 0.00 C ATOM 1161 CG1 ILE A 72 1.421 2.110 -2.873 1.00 0.00 C ATOM 1162 CG2 ILE A 72 -0.465 3.584 -3.313 1.00 0.00 C ATOM 1163 CD1 ILE A 72 0.534 0.914 -3.032 1.00 0.00 C ATOM 0 H ILE A 72 -0.013 5.678 -1.666 1.00 0.00 H new ATOM 0 HA ILE A 72 2.445 4.283 -1.617 1.00 0.00 H new ATOM 0 HB ILE A 72 0.304 3.176 -1.415 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.912 2.318 -3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.206 1.878 -2.153 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.094 2.695 -3.348 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.045 4.425 -2.932 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.107 3.815 -4.316 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.128 0.062 -3.361 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.063 0.681 -2.077 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.236 1.128 -3.774 1.00 0.00 H new ATOM 1175 N TYR A 73 1.550 5.669 -4.448 1.00 0.00 N ATOM 1176 CA TYR A 73 1.946 6.116 -5.767 1.00 0.00 C ATOM 1177 C TYR A 73 3.267 6.869 -5.717 1.00 0.00 C ATOM 1178 O TYR A 73 4.251 6.493 -6.402 1.00 0.00 O ATOM 1179 CB TYR A 73 0.805 7.003 -6.303 1.00 0.00 C ATOM 1180 CG TYR A 73 1.033 7.796 -7.556 1.00 0.00 C ATOM 1181 CD1 TYR A 73 1.579 9.065 -7.495 1.00 0.00 C ATOM 1182 CD2 TYR A 73 0.651 7.308 -8.780 1.00 0.00 C ATOM 1183 CE1 TYR A 73 1.748 9.825 -8.635 1.00 0.00 C ATOM 1184 CE2 TYR A 73 0.820 8.044 -9.922 1.00 0.00 C ATOM 1185 CZ TYR A 73 1.364 9.303 -9.850 1.00 0.00 C ATOM 1186 OH TYR A 73 1.538 10.038 -11.000 1.00 0.00 O ATOM 0 H TYR A 73 0.632 6.015 -4.170 1.00 0.00 H new ATOM 0 HA TYR A 73 2.108 5.267 -6.431 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.060 6.362 -6.471 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.533 7.704 -5.514 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.878 9.469 -6.539 1.00 0.00 H new ATOM 0 HD2 TYR A 73 0.209 6.325 -8.844 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.175 10.815 -8.575 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.526 7.635 -10.878 1.00 0.00 H new ATOM 0 HH TYR A 73 1.216 9.523 -11.769 1.00 0.00 H new ATOM 1196 N LYS A 74 3.315 7.890 -4.874 1.00 0.00 N ATOM 1197 CA LYS A 74 4.499 8.710 -4.765 1.00 0.00 C ATOM 1198 C LYS A 74 5.645 7.897 -4.191 1.00 0.00 C ATOM 1199 O LYS A 74 6.776 8.077 -4.574 1.00 0.00 O ATOM 1200 CB LYS A 74 4.235 9.979 -3.947 1.00 0.00 C ATOM 1201 CG LYS A 74 3.974 9.752 -2.473 1.00 0.00 C ATOM 1202 CD LYS A 74 3.521 11.026 -1.762 1.00 0.00 C ATOM 1203 CE LYS A 74 2.184 11.527 -2.308 1.00 0.00 C ATOM 1204 NZ LYS A 74 1.725 12.763 -1.653 1.00 0.00 N ATOM 0 H LYS A 74 2.548 8.165 -4.260 1.00 0.00 H new ATOM 0 HA LYS A 74 4.782 9.039 -5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.093 10.644 -4.050 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.377 10.497 -4.376 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.211 8.982 -2.356 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.881 9.377 -1.999 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.430 10.834 -0.693 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.278 11.801 -1.884 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.278 11.703 -3.380 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.430 10.751 -2.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.815 13.056 -2.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.607 12.593 -0.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.428 13.515 -1.799 1.00 0.00 H new ATOM 1218 N ILE A 75 5.309 6.954 -3.326 1.00 0.00 N ATOM 1219 CA ILE A 75 6.275 6.058 -2.738 1.00 0.00 C ATOM 1220 C ILE A 75 6.873 5.129 -3.787 1.00 0.00 C ATOM 1221 O ILE A 75 8.076 4.852 -3.754 1.00 0.00 O ATOM 1222 CB ILE A 75 5.666 5.266 -1.521 1.00 0.00 C ATOM 1223 CG1 ILE A 75 6.044 5.925 -0.180 1.00 0.00 C ATOM 1224 CG2 ILE A 75 6.034 3.780 -1.525 1.00 0.00 C ATOM 1225 CD1 ILE A 75 5.613 7.378 -0.023 1.00 0.00 C ATOM 0 H ILE A 75 4.351 6.793 -3.014 1.00 0.00 H new ATOM 0 HA ILE A 75 7.091 6.662 -2.341 1.00 0.00 H new ATOM 0 HB ILE A 75 4.583 5.316 -1.638 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.602 5.343 0.629 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.126 5.869 -0.059 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.584 3.291 -0.661 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.663 3.316 -2.439 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.118 3.673 -1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.927 7.747 0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.075 7.981 -0.804 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.528 7.447 -0.106 1.00 0.00 H new ATOM 1237 N GLN A 76 6.058 4.693 -4.745 1.00 0.00 N ATOM 1238 CA GLN A 76 6.547 3.794 -5.769 1.00 0.00 C ATOM 1239 C GLN A 76 7.536 4.489 -6.653 1.00 0.00 C ATOM 1240 O GLN A 76 8.632 3.997 -6.879 1.00 0.00 O ATOM 1241 CB GLN A 76 5.433 3.138 -6.585 1.00 0.00 C ATOM 1242 CG GLN A 76 4.511 2.284 -5.733 1.00 0.00 C ATOM 1243 CD GLN A 76 3.987 1.050 -6.444 1.00 0.00 C ATOM 1244 OE1 GLN A 76 4.630 0.502 -7.341 1.00 0.00 O ATOM 1245 NE2 GLN A 76 2.843 0.574 -6.021 1.00 0.00 N ATOM 0 H GLN A 76 5.073 4.946 -4.828 1.00 0.00 H new ATOM 0 HA GLN A 76 7.052 2.979 -5.251 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.849 3.912 -7.083 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.876 2.520 -7.366 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.045 1.975 -4.835 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.666 2.891 -5.408 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.336 1.052 -5.276 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.459 -0.275 -6.436 1.00 0.00 H new ATOM 1254 N LYS A 77 7.192 5.661 -7.100 1.00 0.00 N ATOM 1255 CA LYS A 77 8.118 6.408 -7.911 1.00 0.00 C ATOM 1256 C LYS A 77 9.321 6.905 -7.120 1.00 0.00 C ATOM 1257 O LYS A 77 10.417 7.038 -7.677 1.00 0.00 O ATOM 1258 CB LYS A 77 7.419 7.490 -8.697 1.00 0.00 C ATOM 1259 CG LYS A 77 6.449 8.320 -7.902 1.00 0.00 C ATOM 1260 CD LYS A 77 5.332 8.851 -8.776 1.00 0.00 C ATOM 1261 CE LYS A 77 4.448 7.726 -9.382 1.00 0.00 C ATOM 1262 NZ LYS A 77 4.975 7.110 -10.629 1.00 0.00 N ATOM 0 H LYS A 77 6.297 6.116 -6.924 1.00 0.00 H new ATOM 0 HA LYS A 77 8.533 5.720 -8.648 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.172 8.150 -9.129 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.885 7.029 -9.528 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.028 7.719 -7.096 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.976 9.153 -7.436 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.705 9.521 -8.188 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.761 9.444 -9.584 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.321 6.943 -8.634 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.458 8.134 -9.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.182 6.847 -11.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.587 7.792 -11.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.525 6.260 -10.391 1.00 0.00 H new ATOM 1276 N GLU A 78 9.119 7.123 -5.819 1.00 0.00 N ATOM 1277 CA GLU A 78 10.181 7.535 -4.912 1.00 0.00 C ATOM 1278 C GLU A 78 11.204 6.406 -4.817 1.00 0.00 C ATOM 1279 O GLU A 78 12.405 6.622 -4.947 1.00 0.00 O ATOM 1280 CB GLU A 78 9.621 7.777 -3.507 1.00 0.00 C ATOM 1281 CG GLU A 78 10.455 8.702 -2.640 1.00 0.00 C ATOM 1282 CD GLU A 78 10.296 10.149 -3.039 1.00 0.00 C ATOM 1283 OE1 GLU A 78 10.873 10.584 -4.044 1.00 0.00 O ATOM 1284 OE2 GLU A 78 9.565 10.889 -2.347 1.00 0.00 O ATOM 0 H GLU A 78 8.210 7.017 -5.368 1.00 0.00 H new ATOM 0 HA GLU A 78 10.632 8.452 -5.290 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.618 8.194 -3.598 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.523 6.817 -3.000 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.165 8.580 -1.596 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.505 8.419 -2.714 1.00 0.00 H new ATOM 1291 N LEU A 79 10.710 5.178 -4.608 1.00 0.00 N ATOM 1292 CA LEU A 79 11.580 4.025 -4.477 1.00 0.00 C ATOM 1293 C LEU A 79 12.318 3.738 -5.764 1.00 0.00 C ATOM 1294 O LEU A 79 13.492 3.355 -5.745 1.00 0.00 O ATOM 1295 CB LEU A 79 10.843 2.775 -3.915 1.00 0.00 C ATOM 1296 CG LEU A 79 9.697 2.157 -4.737 1.00 0.00 C ATOM 1297 CD1 LEU A 79 10.206 1.195 -5.807 1.00 0.00 C ATOM 1298 CD2 LEU A 79 8.708 1.469 -3.839 1.00 0.00 C ATOM 0 H LEU A 79 9.715 4.969 -4.528 1.00 0.00 H new ATOM 0 HA LEU A 79 12.332 4.280 -3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.589 1.997 -3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.442 3.041 -2.937 1.00 0.00 H new ATOM 0 HG LEU A 79 9.196 2.977 -5.251 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.361 0.785 -6.360 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.864 1.729 -6.493 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.758 0.383 -5.333 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.907 1.040 -4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.210 0.676 -3.285 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.288 2.191 -3.139 1.00 0.00 H new ATOM 1310 N GLU A 80 11.644 3.960 -6.862 1.00 0.00 N ATOM 1311 CA GLU A 80 12.220 3.777 -8.160 1.00 0.00 C ATOM 1312 C GLU A 80 13.353 4.757 -8.405 1.00 0.00 C ATOM 1313 O GLU A 80 14.445 4.357 -8.803 1.00 0.00 O ATOM 1314 CB GLU A 80 11.150 3.867 -9.236 1.00 0.00 C ATOM 1315 CG GLU A 80 10.244 2.655 -9.272 1.00 0.00 C ATOM 1316 CD GLU A 80 9.181 2.735 -10.330 1.00 0.00 C ATOM 1317 OE1 GLU A 80 9.516 2.581 -11.529 1.00 0.00 O ATOM 1318 OE2 GLU A 80 7.995 2.884 -9.980 1.00 0.00 O ATOM 0 H GLU A 80 10.674 4.275 -6.876 1.00 0.00 H new ATOM 0 HA GLU A 80 12.652 2.777 -8.205 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.547 4.759 -9.067 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.629 3.985 -10.208 1.00 0.00 H new ATOM 0 HG2 GLU A 80 10.848 1.764 -9.442 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.769 2.537 -8.298 1.00 0.00 H new ATOM 1325 N GLU A 81 13.136 6.026 -8.108 1.00 0.00 N ATOM 1326 CA GLU A 81 14.180 6.996 -8.331 1.00 0.00 C ATOM 1327 C GLU A 81 15.293 6.870 -7.308 1.00 0.00 C ATOM 1328 O GLU A 81 16.441 7.080 -7.638 1.00 0.00 O ATOM 1329 CB GLU A 81 13.666 8.429 -8.413 1.00 0.00 C ATOM 1330 CG GLU A 81 12.991 8.947 -7.168 1.00 0.00 C ATOM 1331 CD GLU A 81 12.620 10.387 -7.307 1.00 0.00 C ATOM 1332 OE1 GLU A 81 11.675 10.701 -8.074 1.00 0.00 O ATOM 1333 OE2 GLU A 81 13.263 11.243 -6.665 1.00 0.00 O ATOM 0 H GLU A 81 12.268 6.397 -7.722 1.00 0.00 H new ATOM 0 HA GLU A 81 14.594 6.763 -9.312 1.00 0.00 H new ATOM 0 HB2 GLU A 81 14.504 9.084 -8.651 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.962 8.498 -9.243 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.097 8.358 -6.965 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.656 8.822 -6.313 1.00 0.00 H new ATOM 1340 N LYS A 82 14.961 6.492 -6.071 1.00 0.00 N ATOM 1341 CA LYS A 82 15.990 6.331 -5.047 1.00 0.00 C ATOM 1342 C LYS A 82 16.928 5.197 -5.433 1.00 0.00 C ATOM 1343 O LYS A 82 18.129 5.266 -5.196 1.00 0.00 O ATOM 1344 CB LYS A 82 15.379 6.150 -3.608 1.00 0.00 C ATOM 1345 CG LYS A 82 14.706 4.810 -3.315 1.00 0.00 C ATOM 1346 CD LYS A 82 15.696 3.767 -2.786 1.00 0.00 C ATOM 1347 CE LYS A 82 15.170 2.346 -2.945 1.00 0.00 C ATOM 1348 NZ LYS A 82 13.851 2.123 -2.313 1.00 0.00 N ATOM 0 H LYS A 82 14.009 6.296 -5.761 1.00 0.00 H new ATOM 0 HA LYS A 82 16.574 7.250 -4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.175 6.298 -2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 82 14.647 6.942 -3.446 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.911 4.957 -2.584 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.237 4.435 -4.225 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.643 3.864 -3.317 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.900 3.962 -1.733 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.098 2.112 -4.007 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.891 1.651 -2.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.434 1.244 -2.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.968 2.047 -1.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.222 2.922 -2.532 1.00 0.00 H new ATOM 1362 N ARG A 83 16.369 4.160 -6.044 1.00 0.00 N ATOM 1363 CA ARG A 83 17.154 3.033 -6.483 1.00 0.00 C ATOM 1364 C ARG A 83 17.906 3.352 -7.775 1.00 0.00 C ATOM 1365 O ARG A 83 19.042 2.921 -7.953 1.00 0.00 O ATOM 1366 CB ARG A 83 16.284 1.762 -6.637 1.00 0.00 C ATOM 1367 CG ARG A 83 17.050 0.509 -7.076 1.00 0.00 C ATOM 1368 CD ARG A 83 18.181 0.163 -6.105 1.00 0.00 C ATOM 1369 NE ARG A 83 17.703 -0.207 -4.759 1.00 0.00 N ATOM 1370 CZ ARG A 83 18.363 0.043 -3.608 1.00 0.00 C ATOM 1371 NH1 ARG A 83 19.499 0.741 -3.618 1.00 0.00 N ATOM 1372 NH2 ARG A 83 17.875 -0.386 -2.452 1.00 0.00 N ATOM 0 H ARG A 83 15.372 4.084 -6.243 1.00 0.00 H new ATOM 0 HA ARG A 83 17.895 2.829 -5.711 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.794 1.557 -5.685 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.497 1.963 -7.364 1.00 0.00 H new ATOM 0 HG2 ARG A 83 16.361 -0.332 -7.145 1.00 0.00 H new ATOM 0 HG3 ARG A 83 17.462 0.666 -8.073 1.00 0.00 H new ATOM 0 HD2 ARG A 83 18.763 -0.662 -6.516 1.00 0.00 H new ATOM 0 HD3 ARG A 83 18.853 1.017 -6.022 1.00 0.00 H new ATOM 0 HE ARG A 83 16.806 -0.688 -4.693 1.00 0.00 H new ATOM 0 HH11 ARG A 83 19.875 1.090 -4.499 1.00 0.00 H new ATOM 0 HH12 ARG A 83 19.992 0.926 -2.744 1.00 0.00 H new ATOM 0 HH21 ARG A 83 16.998 -0.907 -2.430 1.00 0.00 H new ATOM 0 HH22 ARG A 83 18.376 -0.195 -1.584 1.00 0.00 H new ATOM 1386 N ARG A 84 17.296 4.111 -8.660 1.00 0.00 N ATOM 1387 CA ARG A 84 17.921 4.362 -9.938 1.00 0.00 C ATOM 1388 C ARG A 84 18.861 5.564 -9.915 1.00 0.00 C ATOM 1389 O ARG A 84 20.070 5.389 -10.127 1.00 0.00 O ATOM 1390 CB ARG A 84 16.860 4.532 -11.033 1.00 0.00 C ATOM 1391 CG ARG A 84 17.425 4.703 -12.441 1.00 0.00 C ATOM 1392 CD ARG A 84 18.314 3.524 -12.823 1.00 0.00 C ATOM 1393 NE ARG A 84 17.603 2.246 -12.690 1.00 0.00 N ATOM 1394 CZ ARG A 84 18.077 1.150 -12.068 1.00 0.00 C ATOM 1395 NH1 ARG A 84 19.285 1.157 -11.514 1.00 0.00 N ATOM 1396 NH2 ARG A 84 17.325 0.064 -11.991 1.00 0.00 N ATOM 0 H ARG A 84 16.388 4.556 -8.523 1.00 0.00 H new ATOM 0 HA ARG A 84 18.534 3.489 -10.162 1.00 0.00 H new ATOM 0 HB2 ARG A 84 16.202 3.663 -11.022 1.00 0.00 H new ATOM 0 HB3 ARG A 84 16.245 5.400 -10.794 1.00 0.00 H new ATOM 0 HG2 ARG A 84 16.607 4.792 -13.156 1.00 0.00 H new ATOM 0 HG3 ARG A 84 17.999 5.628 -12.496 1.00 0.00 H new ATOM 0 HD2 ARG A 84 18.658 3.645 -13.850 1.00 0.00 H new ATOM 0 HD3 ARG A 84 19.201 3.516 -12.189 1.00 0.00 H new ATOM 0 HE ARG A 84 16.673 2.183 -13.103 1.00 0.00 H new ATOM 0 HH11 ARG A 84 19.861 1.997 -11.558 1.00 0.00 H new ATOM 0 HH12 ARG A 84 19.636 0.322 -11.045 1.00 0.00 H new ATOM 0 HH21 ARG A 84 16.391 0.060 -12.402 1.00 0.00 H new ATOM 0 HH22 ARG A 84 17.679 -0.769 -11.521 1.00 0.00 H new ATOM 1410 N SER A 85 18.335 6.749 -9.586 1.00 0.00 N ATOM 1411 CA SER A 85 19.107 7.976 -9.617 1.00 0.00 C ATOM 1412 C SER A 85 18.296 9.215 -9.172 1.00 0.00 C ATOM 1413 O SER A 85 17.712 9.916 -9.990 1.00 0.00 O ATOM 1414 CB SER A 85 19.691 8.190 -11.023 1.00 0.00 C ATOM 1415 OG SER A 85 18.683 8.026 -12.028 1.00 0.00 O ATOM 0 H SER A 85 17.366 6.874 -9.293 1.00 0.00 H new ATOM 0 HA SER A 85 19.915 7.863 -8.894 1.00 0.00 H new ATOM 0 HB2 SER A 85 20.121 9.189 -11.094 1.00 0.00 H new ATOM 0 HB3 SER A 85 20.501 7.481 -11.196 1.00 0.00 H new ATOM 0 HG SER A 85 17.899 8.566 -11.796 1.00 0.00 H new ATOM 1421 N ARG A 86 18.181 9.419 -7.884 1.00 0.00 N ATOM 1422 CA ARG A 86 17.593 10.651 -7.376 1.00 0.00 C ATOM 1423 C ARG A 86 18.717 11.447 -6.732 1.00 0.00 C ATOM 1424 O ARG A 86 18.666 12.666 -6.611 1.00 0.00 O ATOM 1425 CB ARG A 86 16.461 10.389 -6.358 1.00 0.00 C ATOM 1426 CG ARG A 86 16.921 9.961 -4.975 1.00 0.00 C ATOM 1427 CD ARG A 86 15.750 9.681 -4.044 1.00 0.00 C ATOM 1428 NE ARG A 86 14.753 10.763 -3.999 1.00 0.00 N ATOM 1429 CZ ARG A 86 14.294 11.335 -2.865 1.00 0.00 C ATOM 1430 NH1 ARG A 86 14.916 11.137 -1.703 1.00 0.00 N ATOM 1431 NH2 ARG A 86 13.237 12.123 -2.904 1.00 0.00 N ATOM 0 H ARG A 86 18.481 8.759 -7.166 1.00 0.00 H new ATOM 0 HA ARG A 86 17.134 11.201 -8.197 1.00 0.00 H new ATOM 0 HB2 ARG A 86 15.865 11.296 -6.260 1.00 0.00 H new ATOM 0 HB3 ARG A 86 15.804 9.618 -6.760 1.00 0.00 H new ATOM 0 HG2 ARG A 86 17.539 9.067 -5.059 1.00 0.00 H new ATOM 0 HG3 ARG A 86 17.548 10.742 -4.544 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.259 8.761 -4.360 1.00 0.00 H new ATOM 0 HD3 ARG A 86 16.131 9.509 -3.037 1.00 0.00 H new ATOM 0 HE ARG A 86 14.383 11.105 -4.886 1.00 0.00 H new ATOM 0 HH11 ARG A 86 15.748 10.548 -1.664 1.00 0.00 H new ATOM 0 HH12 ARG A 86 14.560 11.574 -0.853 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.766 12.301 -3.791 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.891 12.555 -2.047 1.00 0.00 H new ATOM 1445 N LEU A 87 19.725 10.711 -6.303 1.00 0.00 N ATOM 1446 CA LEU A 87 20.936 11.264 -5.736 1.00 0.00 C ATOM 1447 C LEU A 87 21.891 11.618 -6.858 1.00 0.00 C ATOM 1448 O LEU A 87 21.827 11.004 -7.939 1.00 0.00 O ATOM 1449 CB LEU A 87 21.591 10.227 -4.819 1.00 0.00 C ATOM 1450 CG LEU A 87 20.798 9.811 -3.580 1.00 0.00 C ATOM 1451 CD1 LEU A 87 21.471 8.638 -2.892 1.00 0.00 C ATOM 1452 CD2 LEU A 87 20.683 10.978 -2.614 1.00 0.00 C ATOM 0 H LEU A 87 19.723 9.692 -6.341 1.00 0.00 H new ATOM 0 HA LEU A 87 20.697 12.157 -5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 87 21.797 9.333 -5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 87 22.553 10.621 -4.491 1.00 0.00 H new ATOM 0 HG LEU A 87 19.799 9.510 -3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 87 20.895 8.353 -2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 87 21.524 7.794 -3.580 1.00 0.00 H new ATOM 0 HD13 LEU A 87 22.479 8.923 -2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 87 20.116 10.669 -1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 87 21.680 11.297 -2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 87 20.171 11.806 -3.103 1.00 0.00 H new TER 1464 LEU A 87 ATOM 1465 N GLY B 101 19.540 4.668 6.178 1.00 0.00 N ATOM 1466 CA GLY B 101 18.231 4.579 6.808 1.00 0.00 C ATOM 1467 C GLY B 101 18.148 5.457 8.036 1.00 0.00 C ATOM 1468 O GLY B 101 17.076 5.953 8.399 1.00 0.00 O ATOM 0 HA2 GLY B 101 17.462 4.875 6.095 1.00 0.00 H new ATOM 0 HA3 GLY B 101 18.028 3.544 7.084 1.00 0.00 H new ATOM 1472 N SER B 102 19.282 5.657 8.649 1.00 0.00 N ATOM 1473 CA SER B 102 19.406 6.473 9.825 1.00 0.00 C ATOM 1474 C SER B 102 19.385 7.950 9.409 1.00 0.00 C ATOM 1475 O SER B 102 20.312 8.423 8.750 1.00 0.00 O ATOM 1476 CB SER B 102 20.732 6.118 10.500 1.00 0.00 C ATOM 1477 OG SER B 102 20.821 4.710 10.705 1.00 0.00 O ATOM 0 H SER B 102 20.164 5.249 8.339 1.00 0.00 H new ATOM 0 HA SER B 102 18.584 6.299 10.520 1.00 0.00 H new ATOM 0 HB2 SER B 102 21.564 6.456 9.882 1.00 0.00 H new ATOM 0 HB3 SER B 102 20.812 6.637 11.455 1.00 0.00 H new ATOM 0 HG SER B 102 21.675 4.495 11.136 1.00 0.00 H new ATOM 1483 N MET B 103 18.314 8.655 9.730 1.00 0.00 N ATOM 1484 CA MET B 103 18.214 10.058 9.339 1.00 0.00 C ATOM 1485 C MET B 103 17.768 10.939 10.510 1.00 0.00 C ATOM 1486 O MET B 103 18.196 12.086 10.615 1.00 0.00 O ATOM 1487 CB MET B 103 17.246 10.203 8.146 1.00 0.00 C ATOM 1488 CG MET B 103 17.100 11.625 7.604 1.00 0.00 C ATOM 1489 SD MET B 103 18.659 12.333 7.014 1.00 0.00 S ATOM 1490 CE MET B 103 19.093 11.191 5.693 1.00 0.00 C ATOM 0 H MET B 103 17.514 8.293 10.249 1.00 0.00 H new ATOM 0 HA MET B 103 19.205 10.398 9.037 1.00 0.00 H new ATOM 0 HB2 MET B 103 17.588 9.556 7.339 1.00 0.00 H new ATOM 0 HB3 MET B 103 16.263 9.843 8.449 1.00 0.00 H new ATOM 0 HG2 MET B 103 16.378 11.622 6.787 1.00 0.00 H new ATOM 0 HG3 MET B 103 16.692 12.264 8.387 1.00 0.00 H new ATOM 0 HE1 MET B 103 19.870 11.634 5.070 1.00 0.00 H new ATOM 0 HE2 MET B 103 19.460 10.259 6.123 1.00 0.00 H new ATOM 0 HE3 MET B 103 18.212 10.987 5.084 1.00 0.00 H new ATOM 1500 N SER B 104 16.945 10.369 11.408 1.00 0.00 N ATOM 1501 CA SER B 104 16.466 11.037 12.634 1.00 0.00 C ATOM 1502 C SER B 104 15.892 12.452 12.323 1.00 0.00 C ATOM 1503 O SER B 104 16.142 13.413 13.046 1.00 0.00 O ATOM 1504 CB SER B 104 17.641 11.108 13.644 1.00 0.00 C ATOM 1505 OG SER B 104 17.225 11.523 14.946 1.00 0.00 O ATOM 0 H SER B 104 16.589 9.419 11.302 1.00 0.00 H new ATOM 0 HA SER B 104 15.648 10.462 13.068 1.00 0.00 H new ATOM 0 HB2 SER B 104 18.115 10.129 13.713 1.00 0.00 H new ATOM 0 HB3 SER B 104 18.395 11.801 13.270 1.00 0.00 H new ATOM 0 HG SER B 104 16.697 12.345 14.874 1.00 0.00 H new ATOM 1511 N HIS B 105 15.089 12.553 11.279 1.00 0.00 N ATOM 1512 CA HIS B 105 14.601 13.858 10.837 1.00 0.00 C ATOM 1513 C HIS B 105 13.075 13.905 10.697 1.00 0.00 C ATOM 1514 O HIS B 105 12.470 14.979 10.860 1.00 0.00 O ATOM 1515 CB HIS B 105 15.288 14.239 9.500 1.00 0.00 C ATOM 1516 CG HIS B 105 14.892 15.577 8.913 1.00 0.00 C ATOM 1517 ND1 HIS B 105 15.529 16.761 9.194 1.00 0.00 N ATOM 1518 CD2 HIS B 105 13.916 15.886 8.021 1.00 0.00 C ATOM 1519 CE1 HIS B 105 14.946 17.727 8.489 1.00 0.00 C ATOM 1520 NE2 HIS B 105 13.955 17.252 7.754 1.00 0.00 N ATOM 0 H HIS B 105 14.761 11.762 10.724 1.00 0.00 H new ATOM 0 HA HIS B 105 14.859 14.586 11.606 1.00 0.00 H new ATOM 0 HB2 HIS B 105 16.367 14.236 9.654 1.00 0.00 H new ATOM 0 HB3 HIS B 105 15.069 13.463 8.767 1.00 0.00 H new ATOM 0 HD2 HIS B 105 13.220 15.184 7.587 1.00 0.00 H new ATOM 0 HE1 HIS B 105 15.244 18.765 8.514 1.00 0.00 H new ATOM 0 HE2 HIS B 105 13.347 17.776 7.124 1.00 0.00 H new ATOM 1528 N TYR B 106 12.460 12.750 10.438 1.00 0.00 N ATOM 1529 CA TYR B 106 11.026 12.664 10.110 1.00 0.00 C ATOM 1530 C TYR B 106 10.769 13.326 8.751 1.00 0.00 C ATOM 1531 O TYR B 106 11.700 13.526 7.979 1.00 0.00 O ATOM 1532 CB TYR B 106 10.114 13.255 11.212 1.00 0.00 C ATOM 1533 CG TYR B 106 10.074 12.467 12.498 1.00 0.00 C ATOM 1534 CD1 TYR B 106 11.037 12.645 13.482 1.00 0.00 C ATOM 1535 CD2 TYR B 106 9.058 11.555 12.735 1.00 0.00 C ATOM 1536 CE1 TYR B 106 10.987 11.936 14.661 1.00 0.00 C ATOM 1537 CE2 TYR B 106 9.001 10.841 13.912 1.00 0.00 C ATOM 1538 CZ TYR B 106 9.969 11.034 14.872 1.00 0.00 C ATOM 1539 OH TYR B 106 9.915 10.325 16.053 1.00 0.00 O ATOM 0 H TYR B 106 12.935 11.848 10.448 1.00 0.00 H new ATOM 0 HA TYR B 106 10.764 11.608 10.051 1.00 0.00 H new ATOM 0 HB2 TYR B 106 10.449 14.268 11.435 1.00 0.00 H new ATOM 0 HB3 TYR B 106 9.100 13.333 10.820 1.00 0.00 H new ATOM 0 HD1 TYR B 106 11.838 13.351 13.320 1.00 0.00 H new ATOM 0 HD2 TYR B 106 8.297 11.401 11.984 1.00 0.00 H new ATOM 0 HE1 TYR B 106 11.743 12.087 15.417 1.00 0.00 H new ATOM 0 HE2 TYR B 106 8.202 10.134 14.081 1.00 0.00 H new ATOM 0 HH TYR B 106 9.135 9.732 16.043 1.00 0.00 H new ATOM 1549 N GLY B 107 9.520 13.617 8.437 1.00 0.00 N ATOM 1550 CA GLY B 107 9.184 14.186 7.138 1.00 0.00 C ATOM 1551 C GLY B 107 9.091 13.110 6.068 1.00 0.00 C ATOM 1552 O GLY B 107 8.044 12.896 5.466 1.00 0.00 O ATOM 0 H GLY B 107 8.723 13.471 9.057 1.00 0.00 H new ATOM 0 HA2 GLY B 107 8.234 14.716 7.206 1.00 0.00 H new ATOM 0 HA3 GLY B 107 9.939 14.919 6.854 1.00 0.00 H new ATOM 1556 N ASN B 108 10.173 12.404 5.891 1.00 0.00 N ATOM 1557 CA ASN B 108 10.292 11.352 4.912 1.00 0.00 C ATOM 1558 C ASN B 108 10.564 10.032 5.594 1.00 0.00 C ATOM 1559 O ASN B 108 11.221 9.148 5.047 1.00 0.00 O ATOM 1560 CB ASN B 108 11.376 11.674 3.887 1.00 0.00 C ATOM 1561 CG ASN B 108 12.753 11.746 4.450 1.00 0.00 C ATOM 1562 OD1 ASN B 108 12.974 12.133 5.597 1.00 0.00 O ATOM 1563 ND2 ASN B 108 13.683 11.394 3.668 1.00 0.00 N ATOM 0 H ASN B 108 11.022 12.546 6.438 1.00 0.00 H new ATOM 0 HA ASN B 108 9.347 11.274 4.375 1.00 0.00 H new ATOM 0 HB2 ASN B 108 11.356 10.916 3.104 1.00 0.00 H new ATOM 0 HB3 ASN B 108 11.140 12.627 3.414 1.00 0.00 H new ATOM 0 HD21 ASN B 108 14.653 11.426 3.982 1.00 0.00 H new ATOM 0 HD22 ASN B 108 13.463 11.078 2.723 1.00 0.00 H new ATOM 1570 N GLN B 109 9.973 9.866 6.780 1.00 0.00 N ATOM 1571 CA GLN B 109 10.144 8.638 7.570 1.00 0.00 C ATOM 1572 C GLN B 109 9.590 7.430 6.806 1.00 0.00 C ATOM 1573 O GLN B 109 10.047 6.299 6.984 1.00 0.00 O ATOM 1574 CB GLN B 109 9.476 8.722 8.971 1.00 0.00 C ATOM 1575 CG GLN B 109 7.941 8.745 8.964 1.00 0.00 C ATOM 1576 CD GLN B 109 7.330 10.039 8.482 1.00 0.00 C ATOM 1577 OE1 GLN B 109 6.276 10.047 7.870 1.00 0.00 O ATOM 1578 NE2 GLN B 109 7.939 11.136 8.814 1.00 0.00 N ATOM 0 H GLN B 109 9.372 10.565 7.217 1.00 0.00 H new ATOM 0 HA GLN B 109 11.216 8.518 7.729 1.00 0.00 H new ATOM 0 HB2 GLN B 109 9.808 7.871 9.565 1.00 0.00 H new ATOM 0 HB3 GLN B 109 9.834 9.621 9.473 1.00 0.00 H new ATOM 0 HG2 GLN B 109 7.582 7.932 8.332 1.00 0.00 H new ATOM 0 HG3 GLN B 109 7.584 8.545 9.974 1.00 0.00 H new ATOM 0 HE21 GLN B 109 8.820 11.095 9.326 1.00 0.00 H new ATOM 0 HE22 GLN B 109 7.537 12.039 8.563 1.00 0.00 H new ATOM 1587 N THR B 110 8.617 7.690 5.941 1.00 0.00 N ATOM 1588 CA THR B 110 8.020 6.692 5.125 1.00 0.00 C ATOM 1589 C THR B 110 9.065 6.121 4.160 1.00 0.00 C ATOM 1590 O THR B 110 9.121 4.917 3.951 1.00 0.00 O ATOM 1591 CB THR B 110 6.866 7.314 4.343 1.00 0.00 C ATOM 1592 OG1 THR B 110 6.102 8.128 5.251 1.00 0.00 O ATOM 1593 CG2 THR B 110 5.967 6.233 3.780 1.00 0.00 C ATOM 0 H THR B 110 8.229 8.623 5.800 1.00 0.00 H new ATOM 0 HA THR B 110 7.640 5.882 5.748 1.00 0.00 H new ATOM 0 HB THR B 110 7.260 7.908 3.518 1.00 0.00 H new ATOM 0 HG1 THR B 110 5.354 8.541 4.770 1.00 0.00 H new ATOM 0 HG21 THR B 110 5.149 6.692 3.225 1.00 0.00 H new ATOM 0 HG22 THR B 110 6.543 5.592 3.113 1.00 0.00 H new ATOM 0 HG23 THR B 110 5.561 5.636 4.596 1.00 0.00 H new ATOM 1601 N LEU B 111 9.924 6.999 3.628 1.00 0.00 N ATOM 1602 CA LEU B 111 10.994 6.598 2.728 1.00 0.00 C ATOM 1603 C LEU B 111 12.039 5.785 3.490 1.00 0.00 C ATOM 1604 O LEU B 111 12.626 4.861 2.944 1.00 0.00 O ATOM 1605 CB LEU B 111 11.638 7.830 2.059 1.00 0.00 C ATOM 1606 CG LEU B 111 12.808 7.570 1.089 1.00 0.00 C ATOM 1607 CD1 LEU B 111 12.377 6.689 -0.079 1.00 0.00 C ATOM 1608 CD2 LEU B 111 13.378 8.885 0.581 1.00 0.00 C ATOM 0 H LEU B 111 9.891 8.002 3.813 1.00 0.00 H new ATOM 0 HA LEU B 111 10.573 5.974 1.940 1.00 0.00 H new ATOM 0 HB2 LEU B 111 10.860 8.365 1.515 1.00 0.00 H new ATOM 0 HB3 LEU B 111 11.992 8.496 2.846 1.00 0.00 H new ATOM 0 HG LEU B 111 13.585 7.038 1.638 1.00 0.00 H new ATOM 0 HD11 LEU B 111 13.225 6.525 -0.744 1.00 0.00 H new ATOM 0 HD12 LEU B 111 12.022 5.730 0.300 1.00 0.00 H new ATOM 0 HD13 LEU B 111 11.575 7.181 -0.629 1.00 0.00 H new ATOM 0 HD21 LEU B 111 14.203 8.684 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU B 111 12.600 9.441 0.057 1.00 0.00 H new ATOM 0 HD23 LEU B 111 13.740 9.474 1.423 1.00 0.00 H new ATOM 1620 N GLN B 112 12.236 6.121 4.754 1.00 0.00 N ATOM 1621 CA GLN B 112 13.163 5.387 5.619 1.00 0.00 C ATOM 1622 C GLN B 112 12.678 3.963 5.829 1.00 0.00 C ATOM 1623 O GLN B 112 13.418 2.995 5.586 1.00 0.00 O ATOM 1624 CB GLN B 112 13.310 6.074 6.964 1.00 0.00 C ATOM 1625 CG GLN B 112 14.008 7.410 6.917 1.00 0.00 C ATOM 1626 CD GLN B 112 14.043 8.052 8.275 1.00 0.00 C ATOM 1627 OE1 GLN B 112 13.161 8.826 8.635 1.00 0.00 O ATOM 1628 NE2 GLN B 112 15.020 7.701 9.060 1.00 0.00 N ATOM 0 H GLN B 112 11.766 6.902 5.212 1.00 0.00 H new ATOM 0 HA GLN B 112 14.135 5.369 5.126 1.00 0.00 H new ATOM 0 HB2 GLN B 112 12.319 6.212 7.396 1.00 0.00 H new ATOM 0 HB3 GLN B 112 13.861 5.415 7.635 1.00 0.00 H new ATOM 0 HG2 GLN B 112 15.025 7.279 6.547 1.00 0.00 H new ATOM 0 HG3 GLN B 112 13.495 8.067 6.214 1.00 0.00 H new ATOM 0 HE21 GLN B 112 15.736 7.055 8.726 1.00 0.00 H new ATOM 0 HE22 GLN B 112 15.070 8.072 10.009 1.00 0.00 H new ATOM 1637 N ASP B 113 11.430 3.834 6.260 1.00 0.00 N ATOM 1638 CA ASP B 113 10.800 2.522 6.467 1.00 0.00 C ATOM 1639 C ASP B 113 10.754 1.748 5.155 1.00 0.00 C ATOM 1640 O ASP B 113 11.035 0.547 5.108 1.00 0.00 O ATOM 1641 CB ASP B 113 9.389 2.690 7.038 1.00 0.00 C ATOM 1642 CG ASP B 113 8.640 1.378 7.184 1.00 0.00 C ATOM 1643 OD1 ASP B 113 8.966 0.589 8.107 1.00 0.00 O ATOM 1644 OD2 ASP B 113 7.692 1.141 6.409 1.00 0.00 O ATOM 0 H ASP B 113 10.824 4.625 6.477 1.00 0.00 H new ATOM 0 HA ASP B 113 11.397 1.958 7.184 1.00 0.00 H new ATOM 0 HB2 ASP B 113 9.454 3.173 8.013 1.00 0.00 H new ATOM 0 HB3 ASP B 113 8.819 3.355 6.390 1.00 0.00 H new ATOM 1649 N LEU B 114 10.472 2.471 4.089 1.00 0.00 N ATOM 1650 CA LEU B 114 10.429 1.925 2.744 1.00 0.00 C ATOM 1651 C LEU B 114 11.796 1.398 2.336 1.00 0.00 C ATOM 1652 O LEU B 114 11.900 0.330 1.793 1.00 0.00 O ATOM 1653 CB LEU B 114 9.979 3.002 1.764 1.00 0.00 C ATOM 1654 CG LEU B 114 9.887 2.611 0.300 1.00 0.00 C ATOM 1655 CD1 LEU B 114 8.880 1.493 0.098 1.00 0.00 C ATOM 1656 CD2 LEU B 114 9.519 3.830 -0.523 1.00 0.00 C ATOM 0 H LEU B 114 10.263 3.468 4.132 1.00 0.00 H new ATOM 0 HA LEU B 114 9.718 1.099 2.727 1.00 0.00 H new ATOM 0 HB2 LEU B 114 8.999 3.359 2.081 1.00 0.00 H new ATOM 0 HB3 LEU B 114 10.667 3.843 1.847 1.00 0.00 H new ATOM 0 HG LEU B 114 10.856 2.238 -0.031 1.00 0.00 H new ATOM 0 HD11 LEU B 114 8.833 1.232 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU B 114 9.185 0.620 0.674 1.00 0.00 H new ATOM 0 HD13 LEU B 114 7.897 1.824 0.434 1.00 0.00 H new ATOM 0 HD21 LEU B 114 9.452 3.552 -1.575 1.00 0.00 H new ATOM 0 HD22 LEU B 114 8.557 4.218 -0.188 1.00 0.00 H new ATOM 0 HD23 LEU B 114 10.283 4.597 -0.398 1.00 0.00 H new ATOM 1668 N LEU B 115 12.841 2.162 2.613 1.00 0.00 N ATOM 1669 CA LEU B 115 14.203 1.756 2.294 1.00 0.00 C ATOM 1670 C LEU B 115 14.575 0.510 3.082 1.00 0.00 C ATOM 1671 O LEU B 115 15.198 -0.403 2.553 1.00 0.00 O ATOM 1672 CB LEU B 115 15.200 2.890 2.581 1.00 0.00 C ATOM 1673 CG LEU B 115 16.676 2.594 2.272 1.00 0.00 C ATOM 1674 CD1 LEU B 115 16.878 2.291 0.791 1.00 0.00 C ATOM 1675 CD2 LEU B 115 17.556 3.757 2.706 1.00 0.00 C ATOM 0 H LEU B 115 12.771 3.075 3.062 1.00 0.00 H new ATOM 0 HA LEU B 115 14.251 1.529 1.229 1.00 0.00 H new ATOM 0 HB2 LEU B 115 14.899 3.765 2.004 1.00 0.00 H new ATOM 0 HB3 LEU B 115 15.118 3.159 3.634 1.00 0.00 H new ATOM 0 HG LEU B 115 16.967 1.709 2.838 1.00 0.00 H new ATOM 0 HD11 LEU B 115 17.932 2.086 0.602 1.00 0.00 H new ATOM 0 HD12 LEU B 115 16.283 1.421 0.513 1.00 0.00 H new ATOM 0 HD13 LEU B 115 16.564 3.150 0.198 1.00 0.00 H new ATOM 0 HD21 LEU B 115 18.598 3.529 2.479 1.00 0.00 H new ATOM 0 HD22 LEU B 115 17.257 4.659 2.172 1.00 0.00 H new ATOM 0 HD23 LEU B 115 17.445 3.917 3.778 1.00 0.00 H new ATOM 1687 N THR B 116 14.135 0.466 4.317 1.00 0.00 N ATOM 1688 CA THR B 116 14.394 -0.656 5.189 1.00 0.00 C ATOM 1689 C THR B 116 13.687 -1.927 4.643 1.00 0.00 C ATOM 1690 O THR B 116 14.259 -3.030 4.632 1.00 0.00 O ATOM 1691 CB THR B 116 13.910 -0.325 6.622 1.00 0.00 C ATOM 1692 OG1 THR B 116 14.475 0.947 7.026 1.00 0.00 O ATOM 1693 CG2 THR B 116 14.364 -1.389 7.608 1.00 0.00 C ATOM 0 H THR B 116 13.585 1.210 4.747 1.00 0.00 H new ATOM 0 HA THR B 116 15.466 -0.851 5.223 1.00 0.00 H new ATOM 0 HB THR B 116 12.821 -0.286 6.620 1.00 0.00 H new ATOM 0 HG1 THR B 116 13.970 1.676 6.609 1.00 0.00 H new ATOM 0 HG21 THR B 116 14.011 -1.133 8.607 1.00 0.00 H new ATOM 0 HG22 THR B 116 13.954 -2.355 7.315 1.00 0.00 H new ATOM 0 HG23 THR B 116 15.453 -1.442 7.610 1.00 0.00 H new ATOM 1701 N SER B 117 12.482 -1.753 4.150 1.00 0.00 N ATOM 1702 CA SER B 117 11.729 -2.841 3.579 1.00 0.00 C ATOM 1703 C SER B 117 12.252 -3.164 2.144 1.00 0.00 C ATOM 1704 O SER B 117 12.173 -4.285 1.681 1.00 0.00 O ATOM 1705 CB SER B 117 10.236 -2.492 3.604 1.00 0.00 C ATOM 1706 OG SER B 117 9.418 -3.593 3.244 1.00 0.00 O ATOM 0 H SER B 117 11.999 -0.855 4.134 1.00 0.00 H new ATOM 0 HA SER B 117 11.865 -3.746 4.170 1.00 0.00 H new ATOM 0 HB2 SER B 117 9.962 -2.150 4.602 1.00 0.00 H new ATOM 0 HB3 SER B 117 10.048 -1.664 2.921 1.00 0.00 H new ATOM 0 HG SER B 117 9.029 -3.436 2.358 1.00 0.00 H new ATOM 1712 N ASP B 118 12.841 -2.180 1.494 1.00 0.00 N ATOM 1713 CA ASP B 118 13.448 -2.344 0.157 1.00 0.00 C ATOM 1714 C ASP B 118 14.696 -3.223 0.276 1.00 0.00 C ATOM 1715 O ASP B 118 14.981 -4.073 -0.575 1.00 0.00 O ATOM 1716 CB ASP B 118 13.825 -0.965 -0.404 1.00 0.00 C ATOM 1717 CG ASP B 118 14.328 -0.972 -1.834 1.00 0.00 C ATOM 1718 OD1 ASP B 118 15.471 -1.354 -2.071 1.00 0.00 O ATOM 1719 OD2 ASP B 118 13.611 -0.468 -2.725 1.00 0.00 O ATOM 0 H ASP B 118 12.921 -1.234 1.867 1.00 0.00 H new ATOM 0 HA ASP B 118 12.737 -2.820 -0.518 1.00 0.00 H new ATOM 0 HB2 ASP B 118 12.953 -0.314 -0.345 1.00 0.00 H new ATOM 0 HB3 ASP B 118 14.593 -0.527 0.234 1.00 0.00 H new ATOM 1724 N SER B 119 15.430 -3.035 1.363 1.00 0.00 N ATOM 1725 CA SER B 119 16.587 -3.857 1.651 1.00 0.00 C ATOM 1726 C SER B 119 16.170 -5.244 2.176 1.00 0.00 C ATOM 1727 O SER B 119 16.978 -6.160 2.274 1.00 0.00 O ATOM 1728 CB SER B 119 17.515 -3.131 2.622 1.00 0.00 C ATOM 1729 OG SER B 119 16.805 -2.635 3.759 1.00 0.00 O ATOM 0 H SER B 119 15.240 -2.316 2.061 1.00 0.00 H new ATOM 0 HA SER B 119 17.137 -4.027 0.725 1.00 0.00 H new ATOM 0 HB2 SER B 119 18.301 -3.811 2.951 1.00 0.00 H new ATOM 0 HB3 SER B 119 18.004 -2.303 2.108 1.00 0.00 H new ATOM 0 HG SER B 119 15.913 -3.040 3.790 1.00 0.00 H new ATOM 1735 N LEU B 120 14.895 -5.367 2.493 1.00 0.00 N ATOM 1736 CA LEU B 120 14.297 -6.593 2.971 1.00 0.00 C ATOM 1737 C LEU B 120 13.918 -7.420 1.721 1.00 0.00 C ATOM 1738 O LEU B 120 13.902 -8.649 1.742 1.00 0.00 O ATOM 1739 CB LEU B 120 13.050 -6.196 3.806 1.00 0.00 C ATOM 1740 CG LEU B 120 12.436 -7.180 4.810 1.00 0.00 C ATOM 1741 CD1 LEU B 120 11.300 -6.494 5.548 1.00 0.00 C ATOM 1742 CD2 LEU B 120 11.901 -8.414 4.147 1.00 0.00 C ATOM 0 H LEU B 120 14.232 -4.595 2.422 1.00 0.00 H new ATOM 0 HA LEU B 120 14.960 -7.188 3.599 1.00 0.00 H new ATOM 0 HB2 LEU B 120 13.308 -5.293 4.359 1.00 0.00 H new ATOM 0 HB3 LEU B 120 12.264 -5.925 3.101 1.00 0.00 H new ATOM 0 HG LEU B 120 13.227 -7.483 5.496 1.00 0.00 H new ATOM 0 HD11 LEU B 120 10.859 -7.188 6.263 1.00 0.00 H new ATOM 0 HD12 LEU B 120 11.684 -5.622 6.078 1.00 0.00 H new ATOM 0 HD13 LEU B 120 10.540 -6.178 4.833 1.00 0.00 H new ATOM 0 HD21 LEU B 120 11.478 -9.078 4.901 1.00 0.00 H new ATOM 0 HD22 LEU B 120 11.127 -8.136 3.432 1.00 0.00 H new ATOM 0 HD23 LEU B 120 12.709 -8.926 3.625 1.00 0.00 H new ATOM 1754 N SER B 121 13.611 -6.712 0.636 1.00 0.00 N ATOM 1755 CA SER B 121 13.323 -7.326 -0.641 1.00 0.00 C ATOM 1756 C SER B 121 14.569 -7.980 -1.212 1.00 0.00 C ATOM 1757 O SER B 121 14.492 -9.049 -1.831 1.00 0.00 O ATOM 1758 CB SER B 121 12.810 -6.273 -1.607 1.00 0.00 C ATOM 1759 OG SER B 121 11.668 -5.634 -1.085 1.00 0.00 O ATOM 0 H SER B 121 13.557 -5.693 0.627 1.00 0.00 H new ATOM 0 HA SER B 121 12.562 -8.093 -0.497 1.00 0.00 H new ATOM 0 HB2 SER B 121 13.590 -5.536 -1.798 1.00 0.00 H new ATOM 0 HB3 SER B 121 12.569 -6.736 -2.564 1.00 0.00 H new ATOM 0 HG SER B 121 11.220 -6.232 -0.451 1.00 0.00 H new ATOM 1765 N HIS B 122 15.719 -7.312 -1.017 1.00 0.00 N ATOM 1766 CA HIS B 122 17.063 -7.773 -1.458 1.00 0.00 C ATOM 1767 C HIS B 122 17.256 -7.662 -2.968 1.00 0.00 C ATOM 1768 O HIS B 122 18.302 -7.203 -3.441 1.00 0.00 O ATOM 1769 CB HIS B 122 17.386 -9.203 -0.985 1.00 0.00 C ATOM 1770 CG HIS B 122 17.440 -9.366 0.494 1.00 0.00 C ATOM 1771 ND1 HIS B 122 16.450 -9.964 1.243 1.00 0.00 N ATOM 1772 CD2 HIS B 122 18.409 -9.026 1.363 1.00 0.00 C ATOM 1773 CE1 HIS B 122 16.842 -9.970 2.515 1.00 0.00 C ATOM 1774 NE2 HIS B 122 18.030 -9.409 2.643 1.00 0.00 N ATOM 0 H HIS B 122 15.749 -6.413 -0.537 1.00 0.00 H new ATOM 0 HA HIS B 122 17.768 -7.094 -0.978 1.00 0.00 H new ATOM 0 HB2 HIS B 122 16.634 -9.883 -1.386 1.00 0.00 H new ATOM 0 HB3 HIS B 122 18.345 -9.504 -1.406 1.00 0.00 H new ATOM 0 HD2 HIS B 122 19.335 -8.533 1.106 1.00 0.00 H new ATOM 0 HE1 HIS B 122 16.266 -10.379 3.332 1.00 0.00 H new ATOM 0 HE2 HIS B 122 18.561 -9.283 3.505 1.00 0.00 H new ATOM 1782 N SER B 123 16.278 -8.089 -3.700 1.00 0.00 N ATOM 1783 CA SER B 123 16.293 -8.044 -5.120 1.00 0.00 C ATOM 1784 C SER B 123 15.089 -7.253 -5.581 1.00 0.00 C ATOM 1785 O SER B 123 14.009 -7.379 -4.996 1.00 0.00 O ATOM 1786 CB SER B 123 16.241 -9.470 -5.673 1.00 0.00 C ATOM 1787 OG SER B 123 17.301 -10.260 -5.139 1.00 0.00 O ATOM 0 H SER B 123 15.424 -8.489 -3.312 1.00 0.00 H new ATOM 0 HA SER B 123 17.204 -7.567 -5.481 1.00 0.00 H new ATOM 0 HB2 SER B 123 15.282 -9.926 -5.426 1.00 0.00 H new ATOM 0 HB3 SER B 123 16.312 -9.446 -6.760 1.00 0.00 H new ATOM 0 HG SER B 123 17.248 -11.168 -5.504 1.00 0.00 H new ATOM 1793 N ASP B 124 15.272 -6.423 -6.580 1.00 0.00 N ATOM 1794 CA ASP B 124 14.176 -5.636 -7.123 1.00 0.00 C ATOM 1795 C ASP B 124 13.323 -6.547 -7.982 1.00 0.00 C ATOM 1796 O ASP B 124 13.832 -7.536 -8.546 1.00 0.00 O ATOM 1797 CB ASP B 124 14.677 -4.443 -7.979 1.00 0.00 C ATOM 1798 CG ASP B 124 15.571 -3.459 -7.238 1.00 0.00 C ATOM 1799 OD1 ASP B 124 15.072 -2.692 -6.379 1.00 0.00 O ATOM 1800 OD2 ASP B 124 16.806 -3.423 -7.535 1.00 0.00 O ATOM 0 H ASP B 124 16.170 -6.271 -7.039 1.00 0.00 H new ATOM 0 HA ASP B 124 13.604 -5.220 -6.293 1.00 0.00 H new ATOM 0 HB2 ASP B 124 15.223 -4.834 -8.838 1.00 0.00 H new ATOM 0 HB3 ASP B 124 13.813 -3.905 -8.369 1.00 0.00 H new ATOM 1805 N GLY B 125 12.064 -6.248 -8.088 1.00 0.00 N ATOM 1806 CA GLY B 125 11.176 -7.062 -8.873 1.00 0.00 C ATOM 1807 C GLY B 125 10.127 -6.218 -9.524 1.00 0.00 C ATOM 1808 O GLY B 125 10.268 -5.821 -10.687 1.00 0.00 O ATOM 0 H GLY B 125 11.624 -5.444 -7.640 1.00 0.00 H new ATOM 0 HA2 GLY B 125 11.743 -7.599 -9.634 1.00 0.00 H new ATOM 0 HA3 GLY B 125 10.705 -7.812 -8.238 1.00 0.00 H new ATOM 1812 N GLY B 126 9.084 -5.942 -8.801 1.00 0.00 N ATOM 1813 CA GLY B 126 8.060 -5.084 -9.302 1.00 0.00 C ATOM 1814 C GLY B 126 6.861 -5.088 -8.411 1.00 0.00 C ATOM 1815 O GLY B 126 6.711 -5.977 -7.568 1.00 0.00 O ATOM 0 H GLY B 126 8.922 -6.301 -7.860 1.00 0.00 H new ATOM 0 HA2 GLY B 126 8.446 -4.068 -9.391 1.00 0.00 H new ATOM 0 HA3 GLY B 126 7.772 -5.405 -10.303 1.00 0.00 H new ATOM 1819 N GLY B 127 6.026 -4.100 -8.569 1.00 0.00 N ATOM 1820 CA GLY B 127 4.813 -4.024 -7.812 1.00 0.00 C ATOM 1821 C GLY B 127 3.626 -4.186 -8.714 1.00 0.00 C ATOM 1822 O GLY B 127 2.605 -3.513 -8.555 1.00 0.00 O ATOM 0 H GLY B 127 6.167 -3.330 -9.223 1.00 0.00 H new ATOM 0 HA2 GLY B 127 4.805 -4.800 -7.046 1.00 0.00 H new ATOM 0 HA3 GLY B 127 4.758 -3.066 -7.296 1.00 0.00 H new ATOM 1826 N SER B 128 3.777 -5.059 -9.675 1.00 0.00 N ATOM 1827 CA SER B 128 2.770 -5.355 -10.639 1.00 0.00 C ATOM 1828 C SER B 128 1.725 -6.319 -10.076 1.00 0.00 C ATOM 1829 O SER B 128 2.066 -7.322 -9.422 1.00 0.00 O ATOM 1830 CB SER B 128 3.467 -5.917 -11.866 1.00 0.00 C ATOM 1831 OG SER B 128 4.570 -6.725 -11.463 1.00 0.00 O ATOM 0 H SER B 128 4.634 -5.596 -9.806 1.00 0.00 H new ATOM 0 HA SER B 128 2.221 -4.453 -10.909 1.00 0.00 H new ATOM 0 HB2 SER B 128 2.766 -6.509 -12.455 1.00 0.00 H new ATOM 0 HB3 SER B 128 3.813 -5.104 -12.504 1.00 0.00 H new ATOM 0 HG SER B 128 5.017 -7.088 -12.256 1.00 0.00 H new ATOM 1837 N GLY B 129 0.481 -5.996 -10.274 1.00 0.00 N ATOM 1838 CA GLY B 129 -0.583 -6.829 -9.825 1.00 0.00 C ATOM 1839 C GLY B 129 -1.916 -6.191 -10.097 1.00 0.00 C ATOM 1840 O GLY B 129 -2.016 -4.962 -10.174 1.00 0.00 O ATOM 0 H GLY B 129 0.181 -5.146 -10.752 1.00 0.00 H new ATOM 0 HA2 GLY B 129 -0.529 -7.796 -10.326 1.00 0.00 H new ATOM 0 HA3 GLY B 129 -0.477 -7.017 -8.757 1.00 0.00 H new ATOM 1844 N GLY B 130 -2.925 -6.997 -10.228 1.00 0.00 N ATOM 1845 CA GLY B 130 -4.259 -6.531 -10.479 1.00 0.00 C ATOM 1846 C GLY B 130 -5.120 -7.690 -10.872 1.00 0.00 C ATOM 1847 O GLY B 130 -4.772 -8.837 -10.559 1.00 0.00 O ATOM 0 H GLY B 130 -2.846 -8.012 -10.163 1.00 0.00 H new ATOM 0 HA2 GLY B 130 -4.662 -6.049 -9.588 1.00 0.00 H new ATOM 0 HA3 GLY B 130 -4.252 -5.782 -11.271 1.00 0.00 H new ATOM 1851 N GLY B 131 -6.212 -7.440 -11.548 1.00 0.00 N ATOM 1852 CA GLY B 131 -7.041 -8.539 -11.981 1.00 0.00 C ATOM 1853 C GLY B 131 -8.485 -8.413 -11.568 1.00 0.00 C ATOM 1854 O GLY B 131 -9.140 -9.434 -11.316 1.00 0.00 O ATOM 0 H GLY B 131 -6.543 -6.511 -11.806 1.00 0.00 H new ATOM 0 HA2 GLY B 131 -6.989 -8.615 -13.067 1.00 0.00 H new ATOM 0 HA3 GLY B 131 -6.637 -9.467 -11.577 1.00 0.00 H new ATOM 1858 N SER B 132 -8.990 -7.169 -11.489 1.00 0.00 N ATOM 1859 CA SER B 132 -10.394 -6.911 -11.165 1.00 0.00 C ATOM 1860 C SER B 132 -10.739 -7.446 -9.740 1.00 0.00 C ATOM 1861 O SER B 132 -9.846 -7.589 -8.880 1.00 0.00 O ATOM 1862 CB SER B 132 -11.280 -7.551 -12.280 1.00 0.00 C ATOM 1863 OG SER B 132 -12.675 -7.376 -12.069 1.00 0.00 O ATOM 0 H SER B 132 -8.438 -6.326 -11.647 1.00 0.00 H new ATOM 0 HA SER B 132 -10.591 -5.839 -11.139 1.00 0.00 H new ATOM 0 HB2 SER B 132 -11.009 -7.116 -13.242 1.00 0.00 H new ATOM 0 HB3 SER B 132 -11.061 -8.617 -12.339 1.00 0.00 H new ATOM 0 HG SER B 132 -12.997 -6.626 -12.612 1.00 0.00 H new ATOM 1869 N GLY B 133 -12.007 -7.696 -9.494 1.00 0.00 N ATOM 1870 CA GLY B 133 -12.453 -8.199 -8.228 1.00 0.00 C ATOM 1871 C GLY B 133 -13.931 -8.499 -8.239 1.00 0.00 C ATOM 1872 O GLY B 133 -14.334 -9.652 -8.094 1.00 0.00 O ATOM 0 H GLY B 133 -12.754 -7.553 -10.174 1.00 0.00 H new ATOM 0 HA2 GLY B 133 -11.899 -9.105 -7.980 1.00 0.00 H new ATOM 0 HA3 GLY B 133 -12.235 -7.469 -7.449 1.00 0.00 H new ATOM 1876 N GLY B 134 -14.734 -7.474 -8.440 1.00 0.00 N ATOM 1877 CA GLY B 134 -16.169 -7.644 -8.442 1.00 0.00 C ATOM 1878 C GLY B 134 -16.771 -7.364 -7.078 1.00 0.00 C ATOM 1879 O GLY B 134 -16.385 -7.993 -6.080 1.00 0.00 O ATOM 0 H GLY B 134 -14.417 -6.518 -8.603 1.00 0.00 H new ATOM 0 HA2 GLY B 134 -16.613 -6.976 -9.180 1.00 0.00 H new ATOM 0 HA3 GLY B 134 -16.414 -8.662 -8.746 1.00 0.00 H new ATOM 1883 N GLY B 135 -17.680 -6.417 -7.020 1.00 0.00 N ATOM 1884 CA GLY B 135 -18.322 -6.086 -5.772 1.00 0.00 C ATOM 1885 C GLY B 135 -18.773 -4.643 -5.717 1.00 0.00 C ATOM 1886 O GLY B 135 -19.922 -4.366 -5.402 1.00 0.00 O ATOM 0 H GLY B 135 -17.989 -5.865 -7.820 1.00 0.00 H new ATOM 0 HA2 GLY B 135 -19.183 -6.738 -5.626 1.00 0.00 H new ATOM 0 HA3 GLY B 135 -17.633 -6.279 -4.950 1.00 0.00 H new ATOM 1890 N SER B 136 -17.885 -3.728 -6.050 1.00 0.00 N ATOM 1891 CA SER B 136 -18.190 -2.324 -5.999 1.00 0.00 C ATOM 1892 C SER B 136 -17.217 -1.491 -6.883 1.00 0.00 C ATOM 1893 O SER B 136 -17.543 -1.135 -8.022 1.00 0.00 O ATOM 1894 CB SER B 136 -18.178 -1.837 -4.531 1.00 0.00 C ATOM 1895 OG SER B 136 -18.630 -0.506 -4.404 1.00 0.00 O ATOM 0 H SER B 136 -16.937 -3.942 -6.361 1.00 0.00 H new ATOM 0 HA SER B 136 -19.189 -2.174 -6.408 1.00 0.00 H new ATOM 0 HB2 SER B 136 -18.808 -2.491 -3.928 1.00 0.00 H new ATOM 0 HB3 SER B 136 -17.166 -1.914 -4.133 1.00 0.00 H new ATOM 0 HG SER B 136 -18.283 -0.121 -3.572 1.00 0.00 H new ATOM 1901 N LEU B 137 -16.010 -1.239 -6.389 1.00 0.00 N ATOM 1902 CA LEU B 137 -15.055 -0.347 -7.084 1.00 0.00 C ATOM 1903 C LEU B 137 -14.066 -1.145 -7.915 1.00 0.00 C ATOM 1904 O LEU B 137 -13.616 -0.716 -8.975 1.00 0.00 O ATOM 1905 CB LEU B 137 -14.266 0.479 -6.057 1.00 0.00 C ATOM 1906 CG LEU B 137 -15.075 1.294 -5.054 1.00 0.00 C ATOM 1907 CD1 LEU B 137 -14.136 1.991 -4.092 1.00 0.00 C ATOM 1908 CD2 LEU B 137 -15.962 2.305 -5.763 1.00 0.00 C ATOM 0 H LEU B 137 -15.660 -1.632 -5.515 1.00 0.00 H new ATOM 0 HA LEU B 137 -15.631 0.307 -7.739 1.00 0.00 H new ATOM 0 HB2 LEU B 137 -13.621 -0.200 -5.499 1.00 0.00 H new ATOM 0 HB3 LEU B 137 -13.614 1.162 -6.601 1.00 0.00 H new ATOM 0 HG LEU B 137 -15.723 0.619 -4.495 1.00 0.00 H new ATOM 0 HD11 LEU B 137 -14.715 2.573 -3.376 1.00 0.00 H new ATOM 0 HD12 LEU B 137 -13.543 1.248 -3.560 1.00 0.00 H new ATOM 0 HD13 LEU B 137 -13.473 2.655 -4.647 1.00 0.00 H new ATOM 0 HD21 LEU B 137 -16.528 2.873 -5.025 1.00 0.00 H new ATOM 0 HD22 LEU B 137 -15.343 2.985 -6.348 1.00 0.00 H new ATOM 0 HD23 LEU B 137 -16.652 1.782 -6.426 1.00 0.00 H new ATOM 1920 N GLU B 138 -13.796 -2.317 -7.446 1.00 0.00 N ATOM 1921 CA GLU B 138 -12.776 -3.209 -7.974 1.00 0.00 C ATOM 1922 C GLU B 138 -13.216 -3.930 -9.257 1.00 0.00 C ATOM 1923 O GLU B 138 -12.390 -4.536 -9.933 1.00 0.00 O ATOM 1924 CB GLU B 138 -12.319 -4.221 -6.870 1.00 0.00 C ATOM 1925 CG GLU B 138 -13.377 -5.229 -6.384 1.00 0.00 C ATOM 1926 CD GLU B 138 -14.683 -4.593 -6.023 1.00 0.00 C ATOM 1927 OE1 GLU B 138 -15.528 -4.471 -6.911 1.00 0.00 O ATOM 1928 OE2 GLU B 138 -14.852 -4.122 -4.904 1.00 0.00 O ATOM 0 H GLU B 138 -14.294 -2.712 -6.648 1.00 0.00 H new ATOM 0 HA GLU B 138 -11.923 -2.593 -8.259 1.00 0.00 H new ATOM 0 HB2 GLU B 138 -11.465 -4.780 -7.252 1.00 0.00 H new ATOM 0 HB3 GLU B 138 -11.969 -3.652 -6.009 1.00 0.00 H new ATOM 0 HG2 GLU B 138 -13.546 -5.971 -7.164 1.00 0.00 H new ATOM 0 HG3 GLU B 138 -12.989 -5.762 -5.516 1.00 0.00 H new ATOM 1935 N CYS B 139 -14.519 -3.869 -9.557 1.00 0.00 N ATOM 1936 CA CYS B 139 -15.112 -4.509 -10.743 1.00 0.00 C ATOM 1937 C CYS B 139 -14.316 -4.166 -12.020 1.00 0.00 C ATOM 1938 O CYS B 139 -13.790 -5.055 -12.677 1.00 0.00 O ATOM 1939 CB CYS B 139 -16.591 -4.105 -10.884 1.00 0.00 C ATOM 1940 SG CYS B 139 -17.510 -5.021 -12.149 1.00 0.00 S ATOM 0 H CYS B 139 -15.198 -3.371 -8.981 1.00 0.00 H new ATOM 0 HA CYS B 139 -15.063 -5.590 -10.610 1.00 0.00 H new ATOM 0 HB2 CYS B 139 -17.085 -4.246 -9.923 1.00 0.00 H new ATOM 0 HB3 CYS B 139 -16.642 -3.041 -11.116 1.00 0.00 H new ATOM 0 HG CYS B 139 -18.740 -4.603 -12.180 1.00 0.00 H new ATOM 1946 N ASP B 140 -14.206 -2.896 -12.348 1.00 0.00 N ATOM 1947 CA ASP B 140 -13.367 -2.492 -13.468 1.00 0.00 C ATOM 1948 C ASP B 140 -12.647 -1.233 -13.108 1.00 0.00 C ATOM 1949 O ASP B 140 -13.052 -0.129 -13.455 1.00 0.00 O ATOM 1950 CB ASP B 140 -14.129 -2.331 -14.798 1.00 0.00 C ATOM 1951 CG ASP B 140 -13.192 -2.009 -15.967 1.00 0.00 C ATOM 1952 OD1 ASP B 140 -12.585 -2.945 -16.542 1.00 0.00 O ATOM 1953 OD2 ASP B 140 -13.034 -0.818 -16.325 1.00 0.00 O ATOM 0 H ASP B 140 -14.678 -2.131 -11.866 1.00 0.00 H new ATOM 0 HA ASP B 140 -12.657 -3.300 -13.645 1.00 0.00 H new ATOM 0 HB2 ASP B 140 -14.676 -3.249 -15.015 1.00 0.00 H new ATOM 0 HB3 ASP B 140 -14.868 -1.536 -14.697 1.00 0.00 H new ATOM 1958 N MET B 141 -11.689 -1.379 -12.254 1.00 0.00 N ATOM 1959 CA MET B 141 -10.880 -0.249 -11.857 1.00 0.00 C ATOM 1960 C MET B 141 -9.537 -0.264 -12.533 1.00 0.00 C ATOM 1961 O MET B 141 -8.901 0.748 -12.614 1.00 0.00 O ATOM 1962 CB MET B 141 -10.713 -0.185 -10.356 1.00 0.00 C ATOM 1963 CG MET B 141 -10.049 -1.388 -9.733 1.00 0.00 C ATOM 1964 SD MET B 141 -9.917 -1.229 -7.957 1.00 0.00 S ATOM 1965 CE MET B 141 -9.141 -2.776 -7.549 1.00 0.00 C ATOM 0 H MET B 141 -11.439 -2.263 -11.812 1.00 0.00 H new ATOM 0 HA MET B 141 -11.411 0.647 -12.178 1.00 0.00 H new ATOM 0 HB2 MET B 141 -10.129 0.701 -10.109 1.00 0.00 H new ATOM 0 HB3 MET B 141 -11.696 -0.056 -9.902 1.00 0.00 H new ATOM 0 HG2 MET B 141 -10.619 -2.284 -9.976 1.00 0.00 H new ATOM 0 HG3 MET B 141 -9.055 -1.517 -10.161 1.00 0.00 H new ATOM 0 HE1 MET B 141 -9.069 -2.872 -6.466 1.00 0.00 H new ATOM 0 HE2 MET B 141 -9.736 -3.598 -7.948 1.00 0.00 H new ATOM 0 HE3 MET B 141 -8.142 -2.807 -7.983 1.00 0.00 H new ATOM 1975 N GLU B 142 -9.172 -1.436 -13.034 1.00 0.00 N ATOM 1976 CA GLU B 142 -7.854 -1.776 -13.653 1.00 0.00 C ATOM 1977 C GLU B 142 -7.024 -0.584 -14.195 1.00 0.00 C ATOM 1978 O GLU B 142 -5.956 -0.271 -13.652 1.00 0.00 O ATOM 1979 CB GLU B 142 -8.054 -2.826 -14.748 1.00 0.00 C ATOM 1980 CG GLU B 142 -8.430 -4.215 -14.236 1.00 0.00 C ATOM 1981 CD GLU B 142 -7.308 -4.880 -13.447 1.00 0.00 C ATOM 1982 OE1 GLU B 142 -6.317 -5.335 -14.066 1.00 0.00 O ATOM 1983 OE2 GLU B 142 -7.414 -4.999 -12.198 1.00 0.00 O ATOM 0 H GLU B 142 -9.807 -2.234 -13.030 1.00 0.00 H new ATOM 0 HA GLU B 142 -7.253 -2.167 -12.832 1.00 0.00 H new ATOM 0 HB2 GLU B 142 -8.834 -2.480 -15.427 1.00 0.00 H new ATOM 0 HB3 GLU B 142 -7.136 -2.904 -15.330 1.00 0.00 H new ATOM 0 HG2 GLU B 142 -9.315 -4.137 -13.604 1.00 0.00 H new ATOM 0 HG3 GLU B 142 -8.697 -4.848 -15.082 1.00 0.00 H new ATOM 1990 N SER B 143 -7.514 0.088 -15.210 1.00 0.00 N ATOM 1991 CA SER B 143 -6.771 1.171 -15.824 1.00 0.00 C ATOM 1992 C SER B 143 -6.673 2.401 -14.900 1.00 0.00 C ATOM 1993 O SER B 143 -5.587 2.985 -14.713 1.00 0.00 O ATOM 1994 CB SER B 143 -7.422 1.520 -17.159 1.00 0.00 C ATOM 1995 OG SER B 143 -8.830 1.663 -17.001 1.00 0.00 O ATOM 0 H SER B 143 -8.425 -0.094 -15.631 1.00 0.00 H new ATOM 0 HA SER B 143 -5.746 0.844 -15.997 1.00 0.00 H new ATOM 0 HB2 SER B 143 -6.997 2.446 -17.547 1.00 0.00 H new ATOM 0 HB3 SER B 143 -7.209 0.740 -17.890 1.00 0.00 H new ATOM 0 HG SER B 143 -9.235 1.889 -17.865 1.00 0.00 H new ATOM 2001 N ILE B 144 -7.783 2.741 -14.281 1.00 0.00 N ATOM 2002 CA ILE B 144 -7.871 3.917 -13.432 1.00 0.00 C ATOM 2003 C ILE B 144 -7.058 3.715 -12.153 1.00 0.00 C ATOM 2004 O ILE B 144 -6.341 4.620 -11.721 1.00 0.00 O ATOM 2005 CB ILE B 144 -9.349 4.267 -13.085 1.00 0.00 C ATOM 2006 CG1 ILE B 144 -10.185 4.435 -14.365 1.00 0.00 C ATOM 2007 CG2 ILE B 144 -9.429 5.537 -12.241 1.00 0.00 C ATOM 2008 CD1 ILE B 144 -9.718 5.549 -15.285 1.00 0.00 C ATOM 0 H ILE B 144 -8.652 2.212 -14.350 1.00 0.00 H new ATOM 0 HA ILE B 144 -7.454 4.756 -13.988 1.00 0.00 H new ATOM 0 HB ILE B 144 -9.757 3.439 -12.505 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -10.171 3.496 -14.918 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -11.221 4.624 -14.084 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -10.472 5.758 -12.014 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -8.878 5.392 -11.312 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -8.994 6.370 -12.794 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -10.366 5.593 -16.161 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -9.759 6.500 -14.755 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -8.693 5.354 -15.601 1.00 0.00 H new ATOM 2020 N ILE B 145 -7.126 2.511 -11.587 1.00 0.00 N ATOM 2021 CA ILE B 145 -6.383 2.211 -10.388 1.00 0.00 C ATOM 2022 C ILE B 145 -4.910 2.214 -10.699 1.00 0.00 C ATOM 2023 O ILE B 145 -4.140 2.685 -9.918 1.00 0.00 O ATOM 2024 CB ILE B 145 -6.801 0.872 -9.657 1.00 0.00 C ATOM 2025 CG1 ILE B 145 -6.036 0.742 -8.322 1.00 0.00 C ATOM 2026 CG2 ILE B 145 -6.548 -0.351 -10.526 1.00 0.00 C ATOM 2027 CD1 ILE B 145 -6.373 -0.482 -7.503 1.00 0.00 C ATOM 0 H ILE B 145 -7.688 1.739 -11.945 1.00 0.00 H new ATOM 0 HA ILE B 145 -6.629 2.998 -9.676 1.00 0.00 H new ATOM 0 HB ILE B 145 -7.872 0.920 -9.462 1.00 0.00 H new ATOM 0 HG12 ILE B 145 -4.967 0.734 -8.534 1.00 0.00 H new ATOM 0 HG13 ILE B 145 -6.235 1.628 -7.720 1.00 0.00 H new ATOM 0 HG21 ILE B 145 -6.849 -1.249 -9.987 1.00 0.00 H new ATOM 0 HG22 ILE B 145 -7.127 -0.270 -11.446 1.00 0.00 H new ATOM 0 HG23 ILE B 145 -5.487 -0.412 -10.769 1.00 0.00 H new ATOM 0 HD11 ILE B 145 -5.783 -0.480 -6.586 1.00 0.00 H new ATOM 0 HD12 ILE B 145 -7.434 -0.471 -7.252 1.00 0.00 H new ATOM 0 HD13 ILE B 145 -6.145 -1.379 -8.079 1.00 0.00 H new ATOM 2039 N ARG B 146 -4.532 1.733 -11.886 1.00 0.00 N ATOM 2040 CA ARG B 146 -3.137 1.746 -12.298 1.00 0.00 C ATOM 2041 C ARG B 146 -2.612 3.178 -12.199 1.00 0.00 C ATOM 2042 O ARG B 146 -1.598 3.444 -11.518 1.00 0.00 O ATOM 2043 CB ARG B 146 -3.010 1.274 -13.742 1.00 0.00 C ATOM 2044 CG ARG B 146 -1.587 0.995 -14.177 1.00 0.00 C ATOM 2045 CD ARG B 146 -1.086 -0.296 -13.574 1.00 0.00 C ATOM 2046 NE ARG B 146 -1.886 -1.422 -14.048 1.00 0.00 N ATOM 2047 CZ ARG B 146 -1.744 -2.688 -13.681 1.00 0.00 C ATOM 2048 NH1 ARG B 146 -0.833 -3.039 -12.787 1.00 0.00 N ATOM 2049 NH2 ARG B 146 -2.528 -3.603 -14.213 1.00 0.00 N ATOM 0 H ARG B 146 -5.173 1.333 -12.571 1.00 0.00 H new ATOM 0 HA ARG B 146 -2.564 1.080 -11.653 1.00 0.00 H new ATOM 0 HB2 ARG B 146 -3.602 0.368 -13.870 1.00 0.00 H new ATOM 0 HB3 ARG B 146 -3.438 2.031 -14.400 1.00 0.00 H new ATOM 0 HG2 ARG B 146 -1.539 0.937 -15.264 1.00 0.00 H new ATOM 0 HG3 ARG B 146 -0.941 1.819 -13.873 1.00 0.00 H new ATOM 0 HD2 ARG B 146 -0.040 -0.447 -13.840 1.00 0.00 H new ATOM 0 HD3 ARG B 146 -1.134 -0.240 -12.486 1.00 0.00 H new ATOM 0 HE ARG B 146 -2.622 -1.215 -14.724 1.00 0.00 H new ATOM 0 HH11 ARG B 146 -0.228 -2.331 -12.370 1.00 0.00 H new ATOM 0 HH12 ARG B 146 -0.736 -4.017 -12.515 1.00 0.00 H new ATOM 0 HH21 ARG B 146 -3.234 -3.334 -14.898 1.00 0.00 H new ATOM 0 HH22 ARG B 146 -2.429 -4.581 -13.940 1.00 0.00 H new ATOM 2063 N SER B 147 -3.363 4.086 -12.820 1.00 0.00 N ATOM 2064 CA SER B 147 -3.052 5.498 -12.847 1.00 0.00 C ATOM 2065 C SER B 147 -3.032 6.132 -11.427 1.00 0.00 C ATOM 2066 O SER B 147 -2.047 6.770 -11.049 1.00 0.00 O ATOM 2067 CB SER B 147 -4.086 6.203 -13.729 1.00 0.00 C ATOM 2068 OG SER B 147 -4.187 5.553 -14.996 1.00 0.00 O ATOM 0 H SER B 147 -4.217 3.848 -13.324 1.00 0.00 H new ATOM 0 HA SER B 147 -2.048 5.622 -13.254 1.00 0.00 H new ATOM 0 HB2 SER B 147 -5.057 6.201 -13.234 1.00 0.00 H new ATOM 0 HB3 SER B 147 -3.802 7.246 -13.870 1.00 0.00 H new ATOM 0 HG SER B 147 -4.787 4.782 -14.921 1.00 0.00 H new ATOM 2074 N GLU B 148 -4.109 5.936 -10.654 1.00 0.00 N ATOM 2075 CA GLU B 148 -4.243 6.548 -9.317 1.00 0.00 C ATOM 2076 C GLU B 148 -3.257 5.964 -8.311 1.00 0.00 C ATOM 2077 O GLU B 148 -2.579 6.692 -7.590 1.00 0.00 O ATOM 2078 CB GLU B 148 -5.649 6.319 -8.733 1.00 0.00 C ATOM 2079 CG GLU B 148 -6.810 6.902 -9.512 1.00 0.00 C ATOM 2080 CD GLU B 148 -8.136 6.582 -8.845 1.00 0.00 C ATOM 2081 OE1 GLU B 148 -8.656 5.463 -9.033 1.00 0.00 O ATOM 2082 OE2 GLU B 148 -8.676 7.444 -8.119 1.00 0.00 O ATOM 0 H GLU B 148 -4.903 5.358 -10.929 1.00 0.00 H new ATOM 0 HA GLU B 148 -4.046 7.609 -9.467 1.00 0.00 H new ATOM 0 HB2 GLU B 148 -5.808 5.245 -8.638 1.00 0.00 H new ATOM 0 HB3 GLU B 148 -5.671 6.735 -7.726 1.00 0.00 H new ATOM 0 HG2 GLU B 148 -6.692 7.983 -9.592 1.00 0.00 H new ATOM 0 HG3 GLU B 148 -6.806 6.505 -10.527 1.00 0.00 H new ATOM 2089 N LEU B 149 -3.200 4.659 -8.289 1.00 0.00 N ATOM 2090 CA LEU B 149 -2.517 3.907 -7.263 1.00 0.00 C ATOM 2091 C LEU B 149 -1.013 3.927 -7.426 1.00 0.00 C ATOM 2092 O LEU B 149 -0.307 4.029 -6.437 1.00 0.00 O ATOM 2093 CB LEU B 149 -3.096 2.467 -7.270 1.00 0.00 C ATOM 2094 CG LEU B 149 -2.811 1.464 -6.139 1.00 0.00 C ATOM 2095 CD1 LEU B 149 -1.366 1.035 -6.053 1.00 0.00 C ATOM 2096 CD2 LEU B 149 -3.342 1.948 -4.804 1.00 0.00 C ATOM 0 H LEU B 149 -3.637 4.073 -9.000 1.00 0.00 H new ATOM 0 HA LEU B 149 -2.692 4.371 -6.292 1.00 0.00 H new ATOM 0 HB2 LEU B 149 -4.180 2.565 -7.336 1.00 0.00 H new ATOM 0 HB3 LEU B 149 -2.761 1.999 -8.196 1.00 0.00 H new ATOM 0 HG LEU B 149 -3.364 0.563 -6.404 1.00 0.00 H new ATOM 0 HD11 LEU B 149 -1.245 0.328 -5.232 1.00 0.00 H new ATOM 0 HD12 LEU B 149 -1.072 0.559 -6.988 1.00 0.00 H new ATOM 0 HD13 LEU B 149 -0.737 1.908 -5.876 1.00 0.00 H new ATOM 0 HD21 LEU B 149 -3.119 1.209 -4.034 1.00 0.00 H new ATOM 0 HD22 LEU B 149 -2.869 2.895 -4.546 1.00 0.00 H new ATOM 0 HD23 LEU B 149 -4.421 2.088 -4.871 1.00 0.00 H new ATOM 2108 N MET B 150 -0.490 3.814 -8.643 1.00 0.00 N ATOM 2109 CA MET B 150 0.963 3.729 -8.727 1.00 0.00 C ATOM 2110 C MET B 150 1.641 4.280 -9.986 1.00 0.00 C ATOM 2111 O MET B 150 2.587 5.062 -9.859 1.00 0.00 O ATOM 2112 CB MET B 150 1.468 2.339 -8.285 1.00 0.00 C ATOM 2113 CG MET B 150 0.761 1.134 -8.940 1.00 0.00 C ATOM 2114 SD MET B 150 1.150 0.865 -10.680 1.00 0.00 S ATOM 2115 CE MET B 150 2.873 0.397 -10.559 1.00 0.00 C ATOM 0 H MET B 150 -1.004 3.781 -9.524 1.00 0.00 H new ATOM 0 HA MET B 150 1.309 4.464 -8.000 1.00 0.00 H new ATOM 0 HB2 MET B 150 2.534 2.274 -8.502 1.00 0.00 H new ATOM 0 HB3 MET B 150 1.357 2.259 -7.204 1.00 0.00 H new ATOM 0 HG2 MET B 150 1.022 0.234 -8.383 1.00 0.00 H new ATOM 0 HG3 MET B 150 -0.316 1.269 -8.842 1.00 0.00 H new ATOM 0 HE1 MET B 150 3.189 -0.072 -11.491 1.00 0.00 H new ATOM 0 HE2 MET B 150 3.479 1.284 -10.376 1.00 0.00 H new ATOM 0 HE3 MET B 150 3.002 -0.307 -9.737 1.00 0.00 H new ATOM 2125 N ASP B 151 1.151 3.911 -11.162 1.00 0.00 N ATOM 2126 CA ASP B 151 1.718 4.323 -12.480 1.00 0.00 C ATOM 2127 C ASP B 151 3.249 4.186 -12.546 1.00 0.00 C ATOM 2128 O ASP B 151 3.987 5.112 -12.201 1.00 0.00 O ATOM 2129 CB ASP B 151 1.276 5.747 -12.892 1.00 0.00 C ATOM 2130 CG ASP B 151 1.772 6.156 -14.279 1.00 0.00 C ATOM 2131 OD1 ASP B 151 1.162 5.744 -15.283 1.00 0.00 O ATOM 2132 OD2 ASP B 151 2.761 6.925 -14.384 1.00 0.00 O ATOM 0 H ASP B 151 0.334 3.306 -11.250 1.00 0.00 H new ATOM 0 HA ASP B 151 1.302 3.622 -13.204 1.00 0.00 H new ATOM 0 HB2 ASP B 151 0.188 5.802 -12.872 1.00 0.00 H new ATOM 0 HB3 ASP B 151 1.645 6.462 -12.156 1.00 0.00 H new ATOM 2137 N ALA B 152 3.711 3.028 -12.935 1.00 0.00 N ATOM 2138 CA ALA B 152 5.136 2.778 -13.037 1.00 0.00 C ATOM 2139 C ALA B 152 5.634 3.290 -14.362 1.00 0.00 C ATOM 2140 O ALA B 152 5.376 2.628 -15.395 1.00 0.00 O ATOM 2141 CB ALA B 152 5.453 1.293 -12.880 1.00 0.00 C ATOM 2142 OXT ALA B 152 6.260 4.360 -14.396 1.00 0.00 O ATOM 0 H ALA B 152 3.123 2.234 -13.189 1.00 0.00 H new ATOM 0 HA ALA B 152 5.644 3.304 -12.229 1.00 0.00 H new ATOM 0 HB1 ALA B 152 6.529 1.140 -12.962 1.00 0.00 H new ATOM 0 HB2 ALA B 152 5.111 0.949 -11.904 1.00 0.00 H new ATOM 0 HB3 ALA B 152 4.946 0.728 -13.662 1.00 0.00 H new TER 2148 ALA B 152