USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 685 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 64 SER OG : rot -164:sc= 2.2 USER MOD Set 1.2: A 67 SER OG : rot 53:sc= 1.39 USER MOD Set 2.1: A 13 GLN : amide:sc= 0.837 X(o=1.8,f=1.7) USER MOD Set 2.2: A 36 ASN : amide:sc= 0.97 X(o=1.8,f=1.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.116 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0.645 K(o=0.65,f=-3.6!) USER MOD Single : A 4 TYR OH : rot -171:sc= 1.3 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -2.98! C(o=-3!,f=-3.6!) USER MOD Single : A 23 MET CE :methyl 178:sc= 0 (180deg=-0.0142) USER MOD Single : A 27 LYS NZ :NH3+ -131:sc= 1.25 (180deg=0.887) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -146:sc= 2.12 (180deg=0.324) USER MOD Single : A 51 ASN : amide:sc= 0.893 K(o=0.89,f=-3.4!) USER MOD Single : A 54 GLN : amide:sc= -0.242 X(o=-0.24,f=-0.24) USER MOD Single : A 55 SER OG : rot 72:sc= 0.969 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc=-0.00501 X(o=-0.005,f=-0.005) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0631 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 68:sc= 0.0917 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 0.711 K(o=0.71,f=-2.3!) USER MOD Single : A 84 HIS : no HE2:sc= 0.384 K(o=0.38,f=-2.3!) USER MOD Single : A 87 SER OG : rot 180:sc= 0.155 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.344 -0.637 -0.731 1.00 0.00 N ATOM 2 CA MET A 1 0.821 -0.426 -1.631 1.00 0.00 C ATOM 3 C MET A 1 1.513 -1.762 -1.929 1.00 0.00 C ATOM 4 O MET A 1 1.138 -2.806 -1.380 1.00 0.00 O ATOM 5 CB MET A 1 1.802 0.631 -1.068 1.00 0.00 C ATOM 6 CG MET A 1 1.242 2.056 -1.194 1.00 0.00 C ATOM 7 SD MET A 1 2.425 3.362 -0.766 1.00 0.00 S ATOM 8 CE MET A 1 1.389 4.821 -1.060 1.00 0.00 C ATOM 0 H1 MET A 1 -1.218 -0.362 -1.224 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.399 -1.640 -0.463 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.232 -0.056 0.124 1.00 0.00 H new ATOM 0 HA MET A 1 0.454 -0.024 -2.575 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.008 0.413 -0.020 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.751 0.565 -1.600 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.902 2.211 -2.218 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.367 2.149 -0.550 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.961 5.723 -0.844 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.068 4.835 -2.101 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.514 4.783 -0.411 1.00 0.00 H new ATOM 20 N LEU A 2 2.504 -1.757 -2.824 1.00 0.00 N ATOM 21 CA LEU A 2 3.268 -2.924 -3.257 1.00 0.00 C ATOM 22 C LEU A 2 4.723 -2.494 -3.478 1.00 0.00 C ATOM 23 O LEU A 2 5.058 -1.316 -3.325 1.00 0.00 O ATOM 24 CB LEU A 2 2.639 -3.510 -4.545 1.00 0.00 C ATOM 25 CG LEU A 2 2.176 -4.971 -4.394 1.00 0.00 C ATOM 26 CD1 LEU A 2 1.437 -5.405 -5.662 1.00 0.00 C ATOM 27 CD2 LEU A 2 3.336 -5.939 -4.139 1.00 0.00 C ATOM 0 H LEU A 2 2.807 -0.900 -3.286 1.00 0.00 H new ATOM 0 HA LEU A 2 3.246 -3.707 -2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.787 -2.896 -4.835 1.00 0.00 H new ATOM 0 HB3 LEU A 2 3.366 -3.450 -5.355 1.00 0.00 H new ATOM 0 HG LEU A 2 1.519 -5.009 -3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 2 1.109 -6.439 -5.556 1.00 0.00 H new ATOM 0 HD12 LEU A 2 0.570 -4.763 -5.815 1.00 0.00 H new ATOM 0 HD13 LEU A 2 2.105 -5.322 -6.519 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.949 -6.953 -4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.035 -5.897 -4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.850 -5.657 -3.220 1.00 0.00 H new ATOM 39 N GLN A 3 5.588 -3.442 -3.836 1.00 0.00 N ATOM 40 CA GLN A 3 7.008 -3.232 -4.078 1.00 0.00 C ATOM 41 C GLN A 3 7.472 -4.303 -5.071 1.00 0.00 C ATOM 42 O GLN A 3 6.885 -5.386 -5.148 1.00 0.00 O ATOM 43 CB GLN A 3 7.724 -3.327 -2.714 1.00 0.00 C ATOM 44 CG GLN A 3 9.265 -3.389 -2.669 1.00 0.00 C ATOM 45 CD GLN A 3 9.732 -3.871 -1.293 1.00 0.00 C ATOM 46 OE1 GLN A 3 9.226 -4.861 -0.772 1.00 0.00 O ATOM 47 NE2 GLN A 3 10.667 -3.211 -0.639 1.00 0.00 N ATOM 0 H GLN A 3 5.305 -4.413 -3.969 1.00 0.00 H new ATOM 0 HA GLN A 3 7.233 -2.257 -4.511 1.00 0.00 H new ATOM 0 HB2 GLN A 3 7.414 -2.466 -2.121 1.00 0.00 H new ATOM 0 HB3 GLN A 3 7.346 -4.215 -2.208 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.632 -4.063 -3.443 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.683 -2.404 -2.879 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.097 -2.387 -1.058 1.00 0.00 H new ATOM 0 HE22 GLN A 3 10.960 -3.525 0.286 1.00 0.00 H new ATOM 56 N TYR A 4 8.539 -4.030 -5.817 1.00 0.00 N ATOM 57 CA TYR A 4 9.265 -5.054 -6.557 1.00 0.00 C ATOM 58 C TYR A 4 10.745 -4.699 -6.645 1.00 0.00 C ATOM 59 O TYR A 4 11.139 -3.550 -6.428 1.00 0.00 O ATOM 60 CB TYR A 4 8.641 -5.302 -7.946 1.00 0.00 C ATOM 61 CG TYR A 4 8.337 -4.103 -8.835 1.00 0.00 C ATOM 62 CD1 TYR A 4 9.315 -3.133 -9.140 1.00 0.00 C ATOM 63 CD2 TYR A 4 7.065 -4.013 -9.437 1.00 0.00 C ATOM 64 CE1 TYR A 4 9.027 -2.088 -10.032 1.00 0.00 C ATOM 65 CE2 TYR A 4 6.774 -2.976 -10.337 1.00 0.00 C ATOM 66 CZ TYR A 4 7.757 -2.010 -10.639 1.00 0.00 C ATOM 67 OH TYR A 4 7.506 -1.015 -11.528 1.00 0.00 O ATOM 0 H TYR A 4 8.924 -3.091 -5.925 1.00 0.00 H new ATOM 0 HA TYR A 4 9.182 -5.994 -6.011 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.312 -5.961 -8.497 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.709 -5.848 -7.797 1.00 0.00 H new ATOM 0 HD1 TYR A 4 10.292 -3.195 -8.684 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.309 -4.748 -9.204 1.00 0.00 H new ATOM 0 HE1 TYR A 4 9.778 -1.344 -10.253 1.00 0.00 H new ATOM 0 HE2 TYR A 4 5.799 -2.918 -10.798 1.00 0.00 H new ATOM 0 HH TYR A 4 6.552 -1.008 -11.751 1.00 0.00 H new ATOM 77 N ARG A 5 11.548 -5.683 -7.043 1.00 0.00 N ATOM 78 CA ARG A 5 12.889 -5.504 -7.582 1.00 0.00 C ATOM 79 C ARG A 5 12.819 -5.986 -9.028 1.00 0.00 C ATOM 80 O ARG A 5 12.125 -6.968 -9.303 1.00 0.00 O ATOM 81 CB ARG A 5 13.884 -6.314 -6.736 1.00 0.00 C ATOM 82 CG ARG A 5 15.358 -5.983 -7.024 1.00 0.00 C ATOM 83 CD ARG A 5 16.299 -6.957 -6.297 1.00 0.00 C ATOM 84 NE ARG A 5 16.116 -6.935 -4.832 1.00 0.00 N ATOM 85 CZ ARG A 5 16.923 -6.381 -3.916 1.00 0.00 C ATOM 86 NH1 ARG A 5 18.048 -5.757 -4.254 1.00 0.00 N ATOM 87 NH2 ARG A 5 16.589 -6.457 -2.631 1.00 0.00 N ATOM 0 H ARG A 5 11.270 -6.663 -6.996 1.00 0.00 H new ATOM 0 HA ARG A 5 13.231 -4.469 -7.553 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.680 -6.133 -5.681 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.718 -7.376 -6.915 1.00 0.00 H new ATOM 0 HG2 ARG A 5 15.541 -6.030 -8.098 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.573 -4.962 -6.708 1.00 0.00 H new ATOM 0 HD2 ARG A 5 16.126 -7.968 -6.666 1.00 0.00 H new ATOM 0 HD3 ARG A 5 17.332 -6.704 -6.534 1.00 0.00 H new ATOM 0 HE ARG A 5 15.278 -7.395 -4.475 1.00 0.00 H new ATOM 0 HH11 ARG A 5 18.319 -5.689 -5.235 1.00 0.00 H new ATOM 0 HH12 ARG A 5 18.640 -5.346 -3.532 1.00 0.00 H new ATOM 0 HH21 ARG A 5 15.730 -6.932 -2.355 1.00 0.00 H new ATOM 0 HH22 ARG A 5 17.192 -6.041 -1.922 1.00 0.00 H new ATOM 101 N ILE A 6 13.489 -5.304 -9.951 1.00 0.00 N ATOM 102 CA ILE A 6 13.515 -5.642 -11.369 1.00 0.00 C ATOM 103 C ILE A 6 14.979 -5.605 -11.798 1.00 0.00 C ATOM 104 O ILE A 6 15.718 -4.709 -11.387 1.00 0.00 O ATOM 105 CB ILE A 6 12.599 -4.685 -12.181 1.00 0.00 C ATOM 106 CG1 ILE A 6 11.133 -4.880 -11.736 1.00 0.00 C ATOM 107 CG2 ILE A 6 12.730 -4.892 -13.703 1.00 0.00 C ATOM 108 CD1 ILE A 6 10.072 -4.115 -12.537 1.00 0.00 C ATOM 0 H ILE A 6 14.044 -4.478 -9.727 1.00 0.00 H new ATOM 0 HA ILE A 6 13.113 -6.637 -11.562 1.00 0.00 H new ATOM 0 HB ILE A 6 12.919 -3.664 -11.975 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.899 -5.943 -11.786 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.051 -4.585 -10.690 1.00 0.00 H new ATOM 0 HG21 ILE A 6 12.069 -4.199 -14.223 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.760 -4.709 -14.008 1.00 0.00 H new ATOM 0 HG23 ILE A 6 12.454 -5.916 -13.956 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.084 -4.332 -12.131 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.266 -3.045 -12.468 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.111 -4.424 -13.581 1.00 0.00 H new ATOM 120 N ILE A 7 15.393 -6.554 -12.635 1.00 0.00 N ATOM 121 CA ILE A 7 16.716 -6.601 -13.247 1.00 0.00 C ATOM 122 C ILE A 7 16.465 -6.488 -14.749 1.00 0.00 C ATOM 123 O ILE A 7 15.499 -7.069 -15.249 1.00 0.00 O ATOM 124 CB ILE A 7 17.474 -7.907 -12.890 1.00 0.00 C ATOM 125 CG1 ILE A 7 17.329 -8.380 -11.423 1.00 0.00 C ATOM 126 CG2 ILE A 7 18.961 -7.789 -13.267 1.00 0.00 C ATOM 127 CD1 ILE A 7 17.867 -7.418 -10.356 1.00 0.00 C ATOM 0 H ILE A 7 14.798 -7.334 -12.913 1.00 0.00 H new ATOM 0 HA ILE A 7 17.354 -5.796 -12.882 1.00 0.00 H new ATOM 0 HB ILE A 7 16.989 -8.680 -13.486 1.00 0.00 H new ATOM 0 HG12 ILE A 7 16.273 -8.562 -11.222 1.00 0.00 H new ATOM 0 HG13 ILE A 7 17.843 -9.335 -11.316 1.00 0.00 H new ATOM 0 HG21 ILE A 7 19.476 -8.714 -13.009 1.00 0.00 H new ATOM 0 HG22 ILE A 7 19.052 -7.610 -14.338 1.00 0.00 H new ATOM 0 HG23 ILE A 7 19.410 -6.959 -12.721 1.00 0.00 H new ATOM 0 HD11 ILE A 7 17.714 -7.849 -9.367 1.00 0.00 H new ATOM 0 HD12 ILE A 7 18.932 -7.253 -10.519 1.00 0.00 H new ATOM 0 HD13 ILE A 7 17.338 -6.467 -10.423 1.00 0.00 H new ATOM 139 N VAL A 8 17.311 -5.760 -15.472 1.00 0.00 N ATOM 140 CA VAL A 8 17.144 -5.504 -16.898 1.00 0.00 C ATOM 141 C VAL A 8 18.515 -5.687 -17.543 1.00 0.00 C ATOM 142 O VAL A 8 19.529 -5.262 -16.981 1.00 0.00 O ATOM 143 CB VAL A 8 16.574 -4.086 -17.140 1.00 0.00 C ATOM 144 CG1 VAL A 8 16.025 -3.972 -18.568 1.00 0.00 C ATOM 145 CG2 VAL A 8 15.435 -3.693 -16.185 1.00 0.00 C ATOM 0 H VAL A 8 18.145 -5.325 -15.077 1.00 0.00 H new ATOM 0 HA VAL A 8 16.427 -6.195 -17.342 1.00 0.00 H new ATOM 0 HB VAL A 8 17.413 -3.412 -16.964 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.627 -2.970 -18.726 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.827 -4.161 -19.282 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.231 -4.705 -18.712 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.093 -2.686 -16.422 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.608 -4.393 -16.298 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.796 -3.721 -15.157 1.00 0.00 H new ATOM 155 N ASP A 9 18.549 -6.320 -18.713 1.00 0.00 N ATOM 156 CA ASP A 9 19.760 -6.743 -19.404 1.00 0.00 C ATOM 157 C ASP A 9 19.633 -6.417 -20.893 1.00 0.00 C ATOM 158 O ASP A 9 18.519 -6.355 -21.423 1.00 0.00 O ATOM 159 CB ASP A 9 19.934 -8.253 -19.231 1.00 0.00 C ATOM 160 CG ASP A 9 21.208 -8.753 -19.927 1.00 0.00 C ATOM 161 OD1 ASP A 9 22.250 -8.065 -19.833 1.00 0.00 O ATOM 162 OD2 ASP A 9 21.179 -9.846 -20.535 1.00 0.00 O ATOM 0 H ASP A 9 17.700 -6.561 -19.224 1.00 0.00 H new ATOM 0 HA ASP A 9 20.622 -6.222 -18.988 1.00 0.00 H new ATOM 0 HB2 ASP A 9 19.978 -8.497 -18.169 1.00 0.00 H new ATOM 0 HB3 ASP A 9 19.067 -8.770 -19.641 1.00 0.00 H new ATOM 167 N GLY A 10 20.764 -6.211 -21.567 1.00 0.00 N ATOM 168 CA GLY A 10 20.843 -5.865 -22.978 1.00 0.00 C ATOM 169 C GLY A 10 21.810 -4.706 -23.174 1.00 0.00 C ATOM 170 O GLY A 10 22.695 -4.480 -22.343 1.00 0.00 O ATOM 0 H GLY A 10 21.681 -6.284 -21.126 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.175 -6.728 -23.555 1.00 0.00 H new ATOM 0 HA3 GLY A 10 19.855 -5.593 -23.351 1.00 0.00 H new ATOM 174 N ARG A 11 21.628 -3.934 -24.249 1.00 0.00 N ATOM 175 CA ARG A 11 22.228 -2.606 -24.347 1.00 0.00 C ATOM 176 C ARG A 11 21.421 -1.704 -23.419 1.00 0.00 C ATOM 177 O ARG A 11 20.485 -1.051 -23.873 1.00 0.00 O ATOM 178 CB ARG A 11 22.253 -2.108 -25.807 1.00 0.00 C ATOM 179 CG ARG A 11 23.029 -0.783 -25.919 1.00 0.00 C ATOM 180 CD ARG A 11 23.036 -0.200 -27.338 1.00 0.00 C ATOM 181 NE ARG A 11 21.710 0.308 -27.749 1.00 0.00 N ATOM 182 CZ ARG A 11 20.949 -0.145 -28.753 1.00 0.00 C ATOM 183 NH1 ARG A 11 21.294 -1.222 -29.457 1.00 0.00 N ATOM 184 NH2 ARG A 11 19.827 0.502 -29.037 1.00 0.00 N ATOM 0 H ARG A 11 21.072 -4.207 -25.059 1.00 0.00 H new ATOM 0 HA ARG A 11 23.274 -2.612 -24.040 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.716 -2.861 -26.445 1.00 0.00 H new ATOM 0 HB3 ARG A 11 21.233 -1.969 -26.166 1.00 0.00 H new ATOM 0 HG2 ARG A 11 22.590 -0.055 -25.237 1.00 0.00 H new ATOM 0 HG3 ARG A 11 24.057 -0.944 -25.595 1.00 0.00 H new ATOM 0 HD2 ARG A 11 23.764 0.610 -27.391 1.00 0.00 H new ATOM 0 HD3 ARG A 11 23.361 -0.967 -28.041 1.00 0.00 H new ATOM 0 HE ARG A 11 21.334 1.088 -27.209 1.00 0.00 H new ATOM 0 HH11 ARG A 11 22.155 -1.722 -29.236 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.697 -1.547 -30.217 1.00 0.00 H new ATOM 0 HH21 ARG A 11 19.561 1.324 -28.495 1.00 0.00 H new ATOM 0 HH22 ARG A 11 19.229 0.177 -29.797 1.00 0.00 H new ATOM 198 N VAL A 12 21.722 -1.718 -22.123 1.00 0.00 N ATOM 199 CA VAL A 12 20.958 -0.993 -21.104 1.00 0.00 C ATOM 200 C VAL A 12 21.885 -0.169 -20.197 1.00 0.00 C ATOM 201 O VAL A 12 21.439 0.379 -19.193 1.00 0.00 O ATOM 202 CB VAL A 12 20.035 -1.964 -20.333 1.00 0.00 C ATOM 203 CG1 VAL A 12 19.012 -2.637 -21.264 1.00 0.00 C ATOM 204 CG2 VAL A 12 20.800 -3.056 -19.571 1.00 0.00 C ATOM 0 H VAL A 12 22.513 -2.239 -21.743 1.00 0.00 H new ATOM 0 HA VAL A 12 20.306 -0.268 -21.591 1.00 0.00 H new ATOM 0 HB VAL A 12 19.519 -1.340 -19.604 1.00 0.00 H new ATOM 0 HG11 VAL A 12 18.382 -3.312 -20.685 1.00 0.00 H new ATOM 0 HG12 VAL A 12 18.391 -1.874 -21.734 1.00 0.00 H new ATOM 0 HG13 VAL A 12 19.537 -3.202 -22.034 1.00 0.00 H new ATOM 0 HG21 VAL A 12 20.092 -3.702 -19.052 1.00 0.00 H new ATOM 0 HG22 VAL A 12 21.384 -3.649 -20.274 1.00 0.00 H new ATOM 0 HG23 VAL A 12 21.468 -2.593 -18.844 1.00 0.00 H new ATOM 214 N GLN A 13 23.171 -0.054 -20.548 1.00 0.00 N ATOM 215 CA GLN A 13 24.151 0.802 -19.885 1.00 0.00 C ATOM 216 C GLN A 13 24.925 1.534 -20.986 1.00 0.00 C ATOM 217 O GLN A 13 25.051 1.020 -22.101 1.00 0.00 O ATOM 218 CB GLN A 13 25.082 -0.034 -18.985 1.00 0.00 C ATOM 219 CG GLN A 13 24.321 -0.744 -17.853 1.00 0.00 C ATOM 220 CD GLN A 13 25.256 -1.429 -16.859 1.00 0.00 C ATOM 221 OE1 GLN A 13 25.404 -0.994 -15.719 1.00 0.00 O ATOM 222 NE2 GLN A 13 25.914 -2.507 -17.256 1.00 0.00 N ATOM 0 H GLN A 13 23.568 -0.575 -21.330 1.00 0.00 H new ATOM 0 HA GLN A 13 23.664 1.525 -19.231 1.00 0.00 H new ATOM 0 HB2 GLN A 13 25.600 -0.776 -19.593 1.00 0.00 H new ATOM 0 HB3 GLN A 13 25.845 0.614 -18.555 1.00 0.00 H new ATOM 0 HG2 GLN A 13 23.703 -0.018 -17.324 1.00 0.00 H new ATOM 0 HG3 GLN A 13 23.646 -1.485 -18.282 1.00 0.00 H new ATOM 0 HE21 GLN A 13 25.786 -2.862 -18.204 1.00 0.00 H new ATOM 0 HE22 GLN A 13 26.549 -2.982 -16.614 1.00 0.00 H new ATOM 231 N GLY A 14 25.398 2.749 -20.696 1.00 0.00 N ATOM 232 CA GLY A 14 25.963 3.646 -21.707 1.00 0.00 C ATOM 233 C GLY A 14 24.892 4.263 -22.616 1.00 0.00 C ATOM 234 O GLY A 14 25.217 4.744 -23.702 1.00 0.00 O ATOM 0 H GLY A 14 25.400 3.138 -19.753 1.00 0.00 H new ATOM 0 HA2 GLY A 14 26.516 4.444 -21.211 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.678 3.094 -22.317 1.00 0.00 H new ATOM 238 N VAL A 15 23.621 4.247 -22.189 1.00 0.00 N ATOM 239 CA VAL A 15 22.449 4.688 -22.960 1.00 0.00 C ATOM 240 C VAL A 15 21.497 5.523 -22.078 1.00 0.00 C ATOM 241 O VAL A 15 20.302 5.629 -22.360 1.00 0.00 O ATOM 242 CB VAL A 15 21.770 3.469 -23.636 1.00 0.00 C ATOM 243 CG1 VAL A 15 22.584 2.967 -24.837 1.00 0.00 C ATOM 244 CG2 VAL A 15 21.536 2.293 -22.677 1.00 0.00 C ATOM 0 H VAL A 15 23.371 3.913 -21.258 1.00 0.00 H new ATOM 0 HA VAL A 15 22.763 5.353 -23.765 1.00 0.00 H new ATOM 0 HB VAL A 15 20.798 3.834 -23.968 1.00 0.00 H new ATOM 0 HG11 VAL A 15 22.079 2.112 -25.287 1.00 0.00 H new ATOM 0 HG12 VAL A 15 22.674 3.765 -25.574 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.578 2.667 -24.503 1.00 0.00 H new ATOM 0 HG21 VAL A 15 21.058 1.474 -23.215 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.491 1.955 -22.276 1.00 0.00 H new ATOM 0 HG23 VAL A 15 20.892 2.614 -21.858 1.00 0.00 H new ATOM 254 N GLY A 16 22.018 6.098 -20.986 1.00 0.00 N ATOM 255 CA GLY A 16 21.286 7.003 -20.100 1.00 0.00 C ATOM 256 C GLY A 16 20.183 6.325 -19.285 1.00 0.00 C ATOM 257 O GLY A 16 19.371 7.021 -18.674 1.00 0.00 O ATOM 0 H GLY A 16 22.982 5.941 -20.690 1.00 0.00 H new ATOM 0 HA2 GLY A 16 21.992 7.473 -19.415 1.00 0.00 H new ATOM 0 HA3 GLY A 16 20.843 7.800 -20.698 1.00 0.00 H new ATOM 261 N PHE A 17 20.120 4.990 -19.266 1.00 0.00 N ATOM 262 CA PHE A 17 18.945 4.284 -18.769 1.00 0.00 C ATOM 263 C PHE A 17 18.682 4.549 -17.284 1.00 0.00 C ATOM 264 O PHE A 17 17.524 4.711 -16.911 1.00 0.00 O ATOM 265 CB PHE A 17 19.049 2.782 -19.075 1.00 0.00 C ATOM 266 CG PHE A 17 17.820 1.960 -18.719 1.00 0.00 C ATOM 267 CD1 PHE A 17 16.526 2.443 -18.997 1.00 0.00 C ATOM 268 CD2 PHE A 17 17.964 0.699 -18.108 1.00 0.00 C ATOM 269 CE1 PHE A 17 15.392 1.695 -18.647 1.00 0.00 C ATOM 270 CE2 PHE A 17 16.830 -0.060 -17.769 1.00 0.00 C ATOM 271 CZ PHE A 17 15.543 0.436 -18.039 1.00 0.00 C ATOM 0 H PHE A 17 20.871 4.381 -19.590 1.00 0.00 H new ATOM 0 HA PHE A 17 18.079 4.679 -19.299 1.00 0.00 H new ATOM 0 HB2 PHE A 17 19.253 2.658 -20.138 1.00 0.00 H new ATOM 0 HB3 PHE A 17 19.906 2.377 -18.536 1.00 0.00 H new ATOM 0 HD1 PHE A 17 16.406 3.399 -19.485 1.00 0.00 H new ATOM 0 HD2 PHE A 17 18.951 0.313 -17.899 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.405 2.085 -18.844 1.00 0.00 H new ATOM 0 HE2 PHE A 17 16.948 -1.026 -17.300 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.672 -0.148 -17.780 1.00 0.00 H new ATOM 281 N ARG A 18 19.712 4.680 -16.435 1.00 0.00 N ATOM 282 CA ARG A 18 19.481 5.000 -15.017 1.00 0.00 C ATOM 283 C ARG A 18 18.727 6.323 -14.874 1.00 0.00 C ATOM 284 O ARG A 18 17.815 6.411 -14.054 1.00 0.00 O ATOM 285 CB ARG A 18 20.788 5.047 -14.205 1.00 0.00 C ATOM 286 CG ARG A 18 21.505 3.687 -14.106 1.00 0.00 C ATOM 287 CD ARG A 18 22.594 3.695 -13.020 1.00 0.00 C ATOM 288 NE ARG A 18 23.681 4.639 -13.338 1.00 0.00 N ATOM 289 CZ ARG A 18 24.538 5.199 -12.473 1.00 0.00 C ATOM 290 NH1 ARG A 18 24.496 4.922 -11.171 1.00 0.00 N ATOM 291 NH2 ARG A 18 25.452 6.051 -12.926 1.00 0.00 N ATOM 0 H ARG A 18 20.692 4.572 -16.696 1.00 0.00 H new ATOM 0 HA ARG A 18 18.871 4.194 -14.610 1.00 0.00 H new ATOM 0 HB2 ARG A 18 21.463 5.771 -14.661 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.568 5.406 -13.200 1.00 0.00 H new ATOM 0 HG2 ARG A 18 20.776 2.907 -13.885 1.00 0.00 H new ATOM 0 HG3 ARG A 18 21.953 3.441 -15.069 1.00 0.00 H new ATOM 0 HD2 ARG A 18 22.149 3.963 -12.062 1.00 0.00 H new ATOM 0 HD3 ARG A 18 23.005 2.691 -12.911 1.00 0.00 H new ATOM 0 HE ARG A 18 23.793 4.893 -14.320 1.00 0.00 H new ATOM 0 HH11 ARG A 18 23.800 4.270 -10.811 1.00 0.00 H new ATOM 0 HH12 ARG A 18 25.160 5.362 -10.534 1.00 0.00 H new ATOM 0 HH21 ARG A 18 25.495 6.271 -13.921 1.00 0.00 H new ATOM 0 HH22 ARG A 18 26.110 6.484 -12.279 1.00 0.00 H new ATOM 305 N TYR A 19 19.063 7.332 -15.680 1.00 0.00 N ATOM 306 CA TYR A 19 18.376 8.617 -15.653 1.00 0.00 C ATOM 307 C TYR A 19 16.953 8.469 -16.191 1.00 0.00 C ATOM 308 O TYR A 19 16.033 9.050 -15.618 1.00 0.00 O ATOM 309 CB TYR A 19 19.158 9.671 -16.452 1.00 0.00 C ATOM 310 CG TYR A 19 20.562 9.916 -15.930 1.00 0.00 C ATOM 311 CD1 TYR A 19 20.767 10.780 -14.837 1.00 0.00 C ATOM 312 CD2 TYR A 19 21.663 9.267 -16.522 1.00 0.00 C ATOM 313 CE1 TYR A 19 22.062 10.993 -14.331 1.00 0.00 C ATOM 314 CE2 TYR A 19 22.961 9.470 -16.020 1.00 0.00 C ATOM 315 CZ TYR A 19 23.166 10.333 -14.919 1.00 0.00 C ATOM 316 OH TYR A 19 24.429 10.523 -14.441 1.00 0.00 O ATOM 0 H TYR A 19 19.816 7.278 -16.366 1.00 0.00 H new ATOM 0 HA TYR A 19 18.319 8.957 -14.619 1.00 0.00 H new ATOM 0 HB2 TYR A 19 19.217 9.354 -17.493 1.00 0.00 H new ATOM 0 HB3 TYR A 19 18.605 10.610 -16.436 1.00 0.00 H new ATOM 0 HD1 TYR A 19 19.925 11.282 -14.385 1.00 0.00 H new ATOM 0 HD2 TYR A 19 21.510 8.610 -17.366 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.213 11.660 -13.495 1.00 0.00 H new ATOM 0 HE2 TYR A 19 23.801 8.967 -16.475 1.00 0.00 H new ATOM 0 HH TYR A 19 25.061 9.989 -14.966 1.00 0.00 H new ATOM 326 N PHE A 20 16.742 7.663 -17.241 1.00 0.00 N ATOM 327 CA PHE A 20 15.403 7.396 -17.761 1.00 0.00 C ATOM 328 C PHE A 20 14.521 6.812 -16.654 1.00 0.00 C ATOM 329 O PHE A 20 13.463 7.362 -16.349 1.00 0.00 O ATOM 330 CB PHE A 20 15.465 6.458 -18.976 1.00 0.00 C ATOM 331 CG PHE A 20 14.131 6.297 -19.678 1.00 0.00 C ATOM 332 CD1 PHE A 20 13.684 7.280 -20.582 1.00 0.00 C ATOM 333 CD2 PHE A 20 13.325 5.170 -19.419 1.00 0.00 C ATOM 334 CE1 PHE A 20 12.440 7.137 -21.223 1.00 0.00 C ATOM 335 CE2 PHE A 20 12.087 5.024 -20.067 1.00 0.00 C ATOM 336 CZ PHE A 20 11.643 6.006 -20.969 1.00 0.00 C ATOM 0 H PHE A 20 17.488 7.185 -17.746 1.00 0.00 H new ATOM 0 HA PHE A 20 14.961 8.335 -18.095 1.00 0.00 H new ATOM 0 HB2 PHE A 20 16.197 6.842 -19.686 1.00 0.00 H new ATOM 0 HB3 PHE A 20 15.818 5.479 -18.653 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.298 8.146 -20.784 1.00 0.00 H new ATOM 0 HD2 PHE A 20 13.660 4.417 -18.721 1.00 0.00 H new ATOM 0 HE1 PHE A 20 12.097 7.896 -21.910 1.00 0.00 H new ATOM 0 HE2 PHE A 20 11.475 4.156 -19.872 1.00 0.00 H new ATOM 0 HZ PHE A 20 10.691 5.892 -21.467 1.00 0.00 H new ATOM 346 N VAL A 21 14.987 5.746 -15.999 1.00 0.00 N ATOM 347 CA VAL A 21 14.277 5.101 -14.901 1.00 0.00 C ATOM 348 C VAL A 21 14.039 6.113 -13.772 1.00 0.00 C ATOM 349 O VAL A 21 12.938 6.152 -13.224 1.00 0.00 O ATOM 350 CB VAL A 21 15.070 3.855 -14.449 1.00 0.00 C ATOM 351 CG1 VAL A 21 14.435 3.153 -13.248 1.00 0.00 C ATOM 352 CG2 VAL A 21 15.145 2.805 -15.565 1.00 0.00 C ATOM 0 H VAL A 21 15.879 5.304 -16.222 1.00 0.00 H new ATOM 0 HA VAL A 21 13.293 4.758 -15.221 1.00 0.00 H new ATOM 0 HB VAL A 21 16.058 4.233 -14.185 1.00 0.00 H new ATOM 0 HG11 VAL A 21 15.035 2.285 -12.975 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.390 3.843 -12.405 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.427 2.830 -13.507 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.710 1.941 -15.214 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.137 2.493 -15.839 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.641 3.234 -16.435 1.00 0.00 H new ATOM 362 N GLN A 22 15.022 6.964 -13.453 1.00 0.00 N ATOM 363 CA GLN A 22 14.880 7.979 -12.416 1.00 0.00 C ATOM 364 C GLN A 22 13.690 8.895 -12.706 1.00 0.00 C ATOM 365 O GLN A 22 12.850 9.120 -11.836 1.00 0.00 O ATOM 366 CB GLN A 22 16.186 8.798 -12.297 1.00 0.00 C ATOM 367 CG GLN A 22 16.262 9.596 -10.985 1.00 0.00 C ATOM 368 CD GLN A 22 16.460 8.724 -9.748 1.00 0.00 C ATOM 369 OE1 GLN A 22 16.260 9.174 -8.628 1.00 0.00 O ATOM 370 NE2 GLN A 22 16.854 7.469 -9.915 1.00 0.00 N ATOM 0 H GLN A 22 15.934 6.964 -13.909 1.00 0.00 H new ATOM 0 HA GLN A 22 14.691 7.480 -11.466 1.00 0.00 H new ATOM 0 HB2 GLN A 22 17.041 8.124 -12.359 1.00 0.00 H new ATOM 0 HB3 GLN A 22 16.259 9.484 -13.141 1.00 0.00 H new ATOM 0 HG2 GLN A 22 17.083 10.310 -11.051 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.346 10.175 -10.868 1.00 0.00 H new ATOM 0 HE21 GLN A 22 17.017 7.106 -10.854 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.994 6.866 -9.104 1.00 0.00 H new ATOM 379 N MET A 23 13.618 9.417 -13.928 1.00 0.00 N ATOM 380 CA MET A 23 12.618 10.404 -14.301 1.00 0.00 C ATOM 381 C MET A 23 11.239 9.754 -14.408 1.00 0.00 C ATOM 382 O MET A 23 10.248 10.355 -13.994 1.00 0.00 O ATOM 383 CB MET A 23 13.043 11.080 -15.611 1.00 0.00 C ATOM 384 CG MET A 23 14.334 11.890 -15.407 1.00 0.00 C ATOM 385 SD MET A 23 15.060 12.587 -16.920 1.00 0.00 S ATOM 386 CE MET A 23 13.796 13.809 -17.371 1.00 0.00 C ATOM 0 H MET A 23 14.253 9.165 -14.685 1.00 0.00 H new ATOM 0 HA MET A 23 12.546 11.171 -13.530 1.00 0.00 H new ATOM 0 HB2 MET A 23 13.198 10.326 -16.382 1.00 0.00 H new ATOM 0 HB3 MET A 23 12.247 11.736 -15.963 1.00 0.00 H new ATOM 0 HG2 MET A 23 14.126 12.706 -14.714 1.00 0.00 H new ATOM 0 HG3 MET A 23 15.075 11.248 -14.930 1.00 0.00 H new ATOM 0 HE1 MET A 23 14.113 14.348 -18.264 1.00 0.00 H new ATOM 0 HE2 MET A 23 12.853 13.300 -17.570 1.00 0.00 H new ATOM 0 HE3 MET A 23 13.662 14.513 -16.550 1.00 0.00 H new ATOM 396 N GLU A 24 11.156 8.518 -14.905 1.00 0.00 N ATOM 397 CA GLU A 24 9.887 7.805 -15.003 1.00 0.00 C ATOM 398 C GLU A 24 9.371 7.370 -13.623 1.00 0.00 C ATOM 399 O GLU A 24 8.158 7.294 -13.431 1.00 0.00 O ATOM 400 CB GLU A 24 10.015 6.614 -15.968 1.00 0.00 C ATOM 401 CG GLU A 24 10.272 7.040 -17.428 1.00 0.00 C ATOM 402 CD GLU A 24 9.231 8.027 -17.984 1.00 0.00 C ATOM 403 OE1 GLU A 24 8.021 7.853 -17.717 1.00 0.00 O ATOM 404 OE2 GLU A 24 9.611 8.984 -18.695 1.00 0.00 O ATOM 0 H GLU A 24 11.959 7.990 -15.247 1.00 0.00 H new ATOM 0 HA GLU A 24 9.144 8.490 -15.410 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.830 5.971 -15.635 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.102 6.020 -15.925 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.260 7.495 -17.494 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.287 6.151 -18.058 1.00 0.00 H new ATOM 411 N ALA A 25 10.250 7.136 -12.641 1.00 0.00 N ATOM 412 CA ALA A 25 9.828 6.908 -11.262 1.00 0.00 C ATOM 413 C ALA A 25 9.321 8.212 -10.647 1.00 0.00 C ATOM 414 O ALA A 25 8.283 8.224 -9.982 1.00 0.00 O ATOM 415 CB ALA A 25 10.997 6.384 -10.428 1.00 0.00 C ATOM 0 H ALA A 25 11.260 7.100 -12.781 1.00 0.00 H new ATOM 0 HA ALA A 25 9.027 6.169 -11.266 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.667 6.219 -9.402 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.353 5.444 -10.850 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.806 7.115 -10.436 1.00 0.00 H new ATOM 421 N ASP A 26 10.055 9.308 -10.869 1.00 0.00 N ATOM 422 CA ASP A 26 9.764 10.613 -10.288 1.00 0.00 C ATOM 423 C ASP A 26 8.436 11.167 -10.796 1.00 0.00 C ATOM 424 O ASP A 26 7.621 11.615 -9.990 1.00 0.00 O ATOM 425 CB ASP A 26 10.894 11.602 -10.592 1.00 0.00 C ATOM 426 CG ASP A 26 10.555 12.997 -10.040 1.00 0.00 C ATOM 427 OD1 ASP A 26 10.678 13.211 -8.814 1.00 0.00 O ATOM 428 OD2 ASP A 26 10.187 13.892 -10.833 1.00 0.00 O ATOM 0 H ASP A 26 10.881 9.308 -11.468 1.00 0.00 H new ATOM 0 HA ASP A 26 9.686 10.481 -9.209 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.825 11.246 -10.150 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.054 11.660 -11.669 1.00 0.00 H new ATOM 433 N LYS A 27 8.157 11.069 -12.106 1.00 0.00 N ATOM 434 CA LYS A 27 6.873 11.514 -12.659 1.00 0.00 C ATOM 435 C LYS A 27 5.701 10.735 -12.061 1.00 0.00 C ATOM 436 O LYS A 27 4.586 11.252 -12.012 1.00 0.00 O ATOM 437 CB LYS A 27 6.896 11.530 -14.203 1.00 0.00 C ATOM 438 CG LYS A 27 6.680 10.185 -14.926 1.00 0.00 C ATOM 439 CD LYS A 27 5.198 9.887 -15.226 1.00 0.00 C ATOM 440 CE LYS A 27 4.963 8.549 -15.947 1.00 0.00 C ATOM 441 NZ LYS A 27 5.414 8.552 -17.359 1.00 0.00 N ATOM 0 H LYS A 27 8.802 10.687 -12.797 1.00 0.00 H new ATOM 0 HA LYS A 27 6.713 12.550 -12.360 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.128 12.224 -14.545 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.857 11.934 -14.522 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.239 10.189 -15.861 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.089 9.381 -14.314 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.641 9.886 -14.289 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.792 10.693 -15.837 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.485 7.758 -15.409 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.900 8.309 -15.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.658 8.175 -17.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.638 9.525 -17.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.263 7.958 -17.454 1.00 0.00 H new ATOM 455 N ARG A 28 5.946 9.508 -11.584 1.00 0.00 N ATOM 456 CA ARG A 28 4.942 8.646 -10.969 1.00 0.00 C ATOM 457 C ARG A 28 5.020 8.689 -9.434 1.00 0.00 C ATOM 458 O ARG A 28 4.308 7.934 -8.776 1.00 0.00 O ATOM 459 CB ARG A 28 5.113 7.222 -11.537 1.00 0.00 C ATOM 460 CG ARG A 28 3.786 6.479 -11.746 1.00 0.00 C ATOM 461 CD ARG A 28 2.969 7.078 -12.904 1.00 0.00 C ATOM 462 NE ARG A 28 1.854 6.197 -13.296 1.00 0.00 N ATOM 463 CZ ARG A 28 0.672 6.057 -12.684 1.00 0.00 C ATOM 464 NH1 ARG A 28 0.325 6.830 -11.657 1.00 0.00 N ATOM 465 NH2 ARG A 28 -0.148 5.104 -13.100 1.00 0.00 N ATOM 0 H ARG A 28 6.872 9.082 -11.618 1.00 0.00 H new ATOM 0 HA ARG A 28 3.942 9.004 -11.215 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.640 7.281 -12.489 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.741 6.643 -10.860 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.987 5.427 -11.950 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.199 6.519 -10.829 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.577 8.051 -12.608 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.621 7.244 -13.762 1.00 0.00 H new ATOM 0 HE ARG A 28 2.000 5.628 -14.130 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.966 7.548 -11.320 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.582 6.704 -11.207 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.127 4.496 -13.871 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.054 4.978 -12.649 1.00 0.00 H new ATOM 479 N LYS A 29 5.855 9.571 -8.864 1.00 0.00 N ATOM 480 CA LYS A 29 6.089 9.749 -7.427 1.00 0.00 C ATOM 481 C LYS A 29 6.353 8.424 -6.695 1.00 0.00 C ATOM 482 O LYS A 29 5.947 8.261 -5.541 1.00 0.00 O ATOM 483 CB LYS A 29 4.961 10.597 -6.799 1.00 0.00 C ATOM 484 CG LYS A 29 4.823 11.987 -7.451 1.00 0.00 C ATOM 485 CD LYS A 29 3.709 12.839 -6.824 1.00 0.00 C ATOM 486 CE LYS A 29 4.011 13.218 -5.365 1.00 0.00 C ATOM 487 NZ LYS A 29 2.962 14.095 -4.786 1.00 0.00 N ATOM 0 H LYS A 29 6.414 10.213 -9.426 1.00 0.00 H new ATOM 0 HA LYS A 29 7.015 10.310 -7.302 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.016 10.062 -6.892 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.155 10.719 -5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.771 12.518 -7.364 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.623 11.864 -8.515 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.575 13.747 -7.412 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.768 12.290 -6.867 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.096 12.311 -4.766 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.975 13.725 -5.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.206 14.325 -3.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.898 14.972 -5.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.046 13.603 -4.809 1.00 0.00 H new ATOM 501 N LEU A 30 7.013 7.464 -7.353 1.00 0.00 N ATOM 502 CA LEU A 30 7.457 6.229 -6.701 1.00 0.00 C ATOM 503 C LEU A 30 8.659 6.529 -5.799 1.00 0.00 C ATOM 504 O LEU A 30 9.296 7.577 -5.933 1.00 0.00 O ATOM 505 CB LEU A 30 7.805 5.164 -7.755 1.00 0.00 C ATOM 506 CG LEU A 30 6.569 4.590 -8.478 1.00 0.00 C ATOM 507 CD1 LEU A 30 7.024 3.660 -9.598 1.00 0.00 C ATOM 508 CD2 LEU A 30 5.634 3.812 -7.544 1.00 0.00 C ATOM 0 H LEU A 30 7.252 7.521 -8.343 1.00 0.00 H new ATOM 0 HA LEU A 30 6.650 5.834 -6.084 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.478 5.600 -8.493 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.345 4.349 -7.273 1.00 0.00 H new ATOM 0 HG LEU A 30 6.010 5.440 -8.870 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.152 3.253 -10.110 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.635 4.217 -10.308 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.611 2.844 -9.177 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.784 3.434 -8.112 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.175 2.976 -7.101 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.277 4.472 -6.754 1.00 0.00 H new ATOM 520 N ALA A 31 9.000 5.590 -4.912 1.00 0.00 N ATOM 521 CA ALA A 31 10.176 5.666 -4.049 1.00 0.00 C ATOM 522 C ALA A 31 10.971 4.367 -4.186 1.00 0.00 C ATOM 523 O ALA A 31 10.375 3.319 -4.442 1.00 0.00 O ATOM 524 CB ALA A 31 9.742 5.912 -2.600 1.00 0.00 C ATOM 0 H ALA A 31 8.454 4.740 -4.773 1.00 0.00 H new ATOM 0 HA ALA A 31 10.814 6.498 -4.347 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.623 5.968 -1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.190 6.850 -2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.104 5.093 -2.267 1.00 0.00 H new ATOM 530 N GLY A 32 12.302 4.432 -4.074 1.00 0.00 N ATOM 531 CA GLY A 32 13.171 3.306 -4.417 1.00 0.00 C ATOM 532 C GLY A 32 14.497 3.759 -5.029 1.00 0.00 C ATOM 533 O GLY A 32 14.929 4.893 -4.804 1.00 0.00 O ATOM 0 H GLY A 32 12.801 5.259 -3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.370 2.718 -3.521 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.654 2.652 -5.120 1.00 0.00 H new ATOM 537 N TRP A 33 15.154 2.892 -5.806 1.00 0.00 N ATOM 538 CA TRP A 33 16.424 3.199 -6.452 1.00 0.00 C ATOM 539 C TRP A 33 16.544 2.583 -7.844 1.00 0.00 C ATOM 540 O TRP A 33 15.823 1.644 -8.192 1.00 0.00 O ATOM 541 CB TRP A 33 17.607 2.748 -5.571 1.00 0.00 C ATOM 542 CG TRP A 33 17.758 1.285 -5.243 1.00 0.00 C ATOM 543 CD1 TRP A 33 17.915 0.267 -6.128 1.00 0.00 C ATOM 544 CD2 TRP A 33 17.869 0.665 -3.923 1.00 0.00 C ATOM 545 NE1 TRP A 33 18.095 -0.921 -5.454 1.00 0.00 N ATOM 546 CE2 TRP A 33 18.098 -0.733 -4.093 1.00 0.00 C ATOM 547 CE3 TRP A 33 17.829 1.143 -2.595 1.00 0.00 C ATOM 548 CZ2 TRP A 33 18.282 -1.607 -3.013 1.00 0.00 C ATOM 549 CZ3 TRP A 33 18.006 0.275 -1.499 1.00 0.00 C ATOM 550 CH2 TRP A 33 18.232 -1.098 -1.705 1.00 0.00 C ATOM 0 H TRP A 33 14.813 1.951 -6.003 1.00 0.00 H new ATOM 0 HA TRP A 33 16.455 4.282 -6.575 1.00 0.00 H new ATOM 0 HB2 TRP A 33 18.525 3.071 -6.062 1.00 0.00 H new ATOM 0 HB3 TRP A 33 17.541 3.291 -4.628 1.00 0.00 H new ATOM 0 HD1 TRP A 33 17.901 0.373 -7.203 1.00 0.00 H new ATOM 0 HE1 TRP A 33 18.211 -1.827 -5.908 1.00 0.00 H new ATOM 0 HE3 TRP A 33 17.659 2.194 -2.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 18.460 -2.658 -3.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 17.968 0.667 -0.493 1.00 0.00 H new ATOM 0 HH2 TRP A 33 18.367 -1.758 -0.861 1.00 0.00 H new ATOM 561 N VAL A 34 17.554 3.036 -8.590 1.00 0.00 N ATOM 562 CA VAL A 34 18.108 2.314 -9.732 1.00 0.00 C ATOM 563 C VAL A 34 19.636 2.377 -9.656 1.00 0.00 C ATOM 564 O VAL A 34 20.199 3.405 -9.268 1.00 0.00 O ATOM 565 CB VAL A 34 17.517 2.853 -11.052 1.00 0.00 C ATOM 566 CG1 VAL A 34 17.706 4.365 -11.240 1.00 0.00 C ATOM 567 CG2 VAL A 34 18.092 2.119 -12.270 1.00 0.00 C ATOM 0 H VAL A 34 18.015 3.928 -8.413 1.00 0.00 H new ATOM 0 HA VAL A 34 17.828 1.261 -9.704 1.00 0.00 H new ATOM 0 HB VAL A 34 16.446 2.662 -10.978 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.266 4.672 -12.189 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.217 4.897 -10.424 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.770 4.601 -11.241 1.00 0.00 H new ATOM 0 HG21 VAL A 34 17.653 2.526 -13.181 1.00 0.00 H new ATOM 0 HG22 VAL A 34 19.173 2.252 -12.298 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.859 1.057 -12.198 1.00 0.00 H new ATOM 577 N LYS A 35 20.306 1.276 -10.011 1.00 0.00 N ATOM 578 CA LYS A 35 21.758 1.135 -9.969 1.00 0.00 C ATOM 579 C LYS A 35 22.251 0.116 -10.999 1.00 0.00 C ATOM 580 O LYS A 35 21.461 -0.621 -11.589 1.00 0.00 O ATOM 581 CB LYS A 35 22.196 0.724 -8.549 1.00 0.00 C ATOM 582 CG LYS A 35 21.576 -0.591 -8.052 1.00 0.00 C ATOM 583 CD LYS A 35 22.203 -1.025 -6.716 1.00 0.00 C ATOM 584 CE LYS A 35 21.950 -2.515 -6.464 1.00 0.00 C ATOM 585 NZ LYS A 35 22.808 -3.381 -7.314 1.00 0.00 N ATOM 0 H LYS A 35 19.835 0.435 -10.345 1.00 0.00 H new ATOM 0 HA LYS A 35 22.205 2.097 -10.221 1.00 0.00 H new ATOM 0 HB2 LYS A 35 23.282 0.630 -8.529 1.00 0.00 H new ATOM 0 HB3 LYS A 35 21.932 1.522 -7.855 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.500 -0.467 -7.930 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.724 -1.372 -8.798 1.00 0.00 H new ATOM 0 HD2 LYS A 35 23.275 -0.829 -6.730 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.782 -0.436 -5.901 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.136 -2.741 -5.414 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.902 -2.742 -6.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 22.286 -4.244 -7.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.070 -2.867 -8.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.669 -3.638 -6.790 1.00 0.00 H new ATOM 599 N ASN A 36 23.571 0.045 -11.182 1.00 0.00 N ATOM 600 CA ASN A 36 24.236 -1.087 -11.828 1.00 0.00 C ATOM 601 C ASN A 36 24.056 -2.352 -10.972 1.00 0.00 C ATOM 602 O ASN A 36 23.884 -2.266 -9.752 1.00 0.00 O ATOM 603 CB ASN A 36 25.734 -0.753 -12.001 1.00 0.00 C ATOM 604 CG ASN A 36 26.573 -1.980 -12.345 1.00 0.00 C ATOM 605 OD1 ASN A 36 27.280 -2.519 -11.499 1.00 0.00 O ATOM 606 ND2 ASN A 36 26.473 -2.484 -13.562 1.00 0.00 N ATOM 0 H ASN A 36 24.214 0.779 -10.883 1.00 0.00 H new ATOM 0 HA ASN A 36 23.796 -1.272 -12.808 1.00 0.00 H new ATOM 0 HB2 ASN A 36 25.848 -0.008 -12.788 1.00 0.00 H new ATOM 0 HB3 ASN A 36 26.111 -0.306 -11.081 1.00 0.00 H new ATOM 0 HD21 ASN A 36 26.987 -3.330 -13.807 1.00 0.00 H new ATOM 0 HD22 ASN A 36 25.882 -2.027 -14.256 1.00 0.00 H new ATOM 668 N ARG A 41 24.391 -5.835 -15.402 1.00 0.00 N ATOM 669 CA ARG A 41 22.978 -5.529 -15.652 1.00 0.00 C ATOM 670 C ARG A 41 22.625 -4.187 -15.010 1.00 0.00 C ATOM 671 O ARG A 41 23.467 -3.571 -14.350 1.00 0.00 O ATOM 672 CB ARG A 41 22.063 -6.649 -15.101 1.00 0.00 C ATOM 673 CG ARG A 41 22.517 -8.105 -15.282 1.00 0.00 C ATOM 674 CD ARG A 41 22.814 -8.536 -16.724 1.00 0.00 C ATOM 675 NE ARG A 41 23.765 -9.654 -16.744 1.00 0.00 N ATOM 676 CZ ARG A 41 24.531 -10.051 -17.764 1.00 0.00 C ATOM 677 NH1 ARG A 41 24.425 -9.512 -18.974 1.00 0.00 N ATOM 678 NH2 ARG A 41 25.409 -11.015 -17.528 1.00 0.00 N ATOM 0 HA ARG A 41 22.818 -5.467 -16.728 1.00 0.00 H new ATOM 0 HB2 ARG A 41 21.924 -6.473 -14.034 1.00 0.00 H new ATOM 0 HB3 ARG A 41 21.085 -6.543 -15.571 1.00 0.00 H new ATOM 0 HG2 ARG A 41 23.414 -8.263 -14.683 1.00 0.00 H new ATOM 0 HG3 ARG A 41 21.745 -8.760 -14.879 1.00 0.00 H new ATOM 0 HD2 ARG A 41 21.889 -8.830 -17.219 1.00 0.00 H new ATOM 0 HD3 ARG A 41 23.222 -7.695 -17.284 1.00 0.00 H new ATOM 0 HE ARG A 41 23.851 -10.189 -15.880 1.00 0.00 H new ATOM 0 HH11 ARG A 41 23.744 -8.772 -19.145 1.00 0.00 H new ATOM 0 HH12 ARG A 41 25.025 -9.838 -19.732 1.00 0.00 H new ATOM 0 HH21 ARG A 41 25.480 -11.423 -16.596 1.00 0.00 H new ATOM 0 HH22 ARG A 41 26.014 -11.349 -18.278 1.00 0.00 H new ATOM 692 N VAL A 42 21.371 -3.766 -15.141 1.00 0.00 N ATOM 693 CA VAL A 42 20.798 -2.691 -14.340 1.00 0.00 C ATOM 694 C VAL A 42 19.812 -3.354 -13.381 1.00 0.00 C ATOM 695 O VAL A 42 19.190 -4.365 -13.717 1.00 0.00 O ATOM 696 CB VAL A 42 20.170 -1.621 -15.262 1.00 0.00 C ATOM 697 CG1 VAL A 42 19.411 -0.520 -14.504 1.00 0.00 C ATOM 698 CG2 VAL A 42 21.283 -0.944 -16.074 1.00 0.00 C ATOM 0 H VAL A 42 20.717 -4.166 -15.814 1.00 0.00 H new ATOM 0 HA VAL A 42 21.542 -2.150 -13.755 1.00 0.00 H new ATOM 0 HB VAL A 42 19.452 -2.145 -15.893 1.00 0.00 H new ATOM 0 HG11 VAL A 42 18.998 0.194 -15.217 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.601 -0.967 -13.928 1.00 0.00 H new ATOM 0 HG13 VAL A 42 20.095 -0.005 -13.829 1.00 0.00 H new ATOM 0 HG21 VAL A 42 20.848 -0.188 -16.727 1.00 0.00 H new ATOM 0 HG22 VAL A 42 21.993 -0.472 -15.395 1.00 0.00 H new ATOM 0 HG23 VAL A 42 21.799 -1.691 -16.677 1.00 0.00 H new ATOM 708 N GLU A 43 19.676 -2.790 -12.186 1.00 0.00 N ATOM 709 CA GLU A 43 18.832 -3.281 -11.115 1.00 0.00 C ATOM 710 C GLU A 43 18.066 -2.085 -10.566 1.00 0.00 C ATOM 711 O GLU A 43 18.626 -1.009 -10.345 1.00 0.00 O ATOM 712 CB GLU A 43 19.710 -3.963 -10.057 1.00 0.00 C ATOM 713 CG GLU A 43 19.004 -4.197 -8.712 1.00 0.00 C ATOM 714 CD GLU A 43 19.838 -5.038 -7.735 1.00 0.00 C ATOM 715 OE1 GLU A 43 21.021 -5.347 -8.014 1.00 0.00 O ATOM 716 OE2 GLU A 43 19.312 -5.362 -6.650 1.00 0.00 O ATOM 0 H GLU A 43 20.177 -1.939 -11.931 1.00 0.00 H new ATOM 0 HA GLU A 43 18.116 -4.028 -11.457 1.00 0.00 H new ATOM 0 HB2 GLU A 43 20.052 -4.922 -10.447 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.597 -3.353 -9.888 1.00 0.00 H new ATOM 0 HG2 GLU A 43 18.779 -3.234 -8.254 1.00 0.00 H new ATOM 0 HG3 GLU A 43 18.051 -4.695 -8.890 1.00 0.00 H new ATOM 723 N ILE A 44 16.770 -2.280 -10.371 1.00 0.00 N ATOM 724 CA ILE A 44 15.798 -1.270 -10.010 1.00 0.00 C ATOM 725 C ILE A 44 15.033 -1.869 -8.833 1.00 0.00 C ATOM 726 O ILE A 44 14.809 -3.081 -8.786 1.00 0.00 O ATOM 727 CB ILE A 44 14.868 -1.011 -11.221 1.00 0.00 C ATOM 728 CG1 ILE A 44 15.637 -0.709 -12.532 1.00 0.00 C ATOM 729 CG2 ILE A 44 13.883 0.137 -10.933 1.00 0.00 C ATOM 730 CD1 ILE A 44 14.808 -1.036 -13.766 1.00 0.00 C ATOM 0 H ILE A 44 16.349 -3.204 -10.467 1.00 0.00 H new ATOM 0 HA ILE A 44 16.244 -0.313 -9.740 1.00 0.00 H new ATOM 0 HB ILE A 44 14.318 -1.941 -11.369 1.00 0.00 H new ATOM 0 HG12 ILE A 44 15.919 0.344 -12.553 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.561 -1.287 -12.552 1.00 0.00 H new ATOM 0 HG21 ILE A 44 13.244 0.295 -11.802 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.267 -0.120 -10.071 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.440 1.050 -10.722 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.385 -0.809 -14.663 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.548 -2.095 -13.760 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.896 -0.439 -13.761 1.00 0.00 H new ATOM 742 N LEU A 45 14.601 -1.038 -7.894 1.00 0.00 N ATOM 743 CA LEU A 45 13.764 -1.455 -6.780 1.00 0.00 C ATOM 744 C LEU A 45 12.813 -0.297 -6.542 1.00 0.00 C ATOM 745 O LEU A 45 13.272 0.841 -6.470 1.00 0.00 O ATOM 746 CB LEU A 45 14.660 -1.770 -5.569 1.00 0.00 C ATOM 747 CG LEU A 45 14.029 -2.705 -4.521 1.00 0.00 C ATOM 748 CD1 LEU A 45 15.105 -3.064 -3.491 1.00 0.00 C ATOM 749 CD2 LEU A 45 12.823 -2.105 -3.790 1.00 0.00 C ATOM 0 H LEU A 45 14.826 -0.043 -7.886 1.00 0.00 H new ATOM 0 HA LEU A 45 13.193 -2.364 -6.971 1.00 0.00 H new ATOM 0 HB2 LEU A 45 15.585 -2.222 -5.928 1.00 0.00 H new ATOM 0 HB3 LEU A 45 14.931 -0.833 -5.082 1.00 0.00 H new ATOM 0 HG LEU A 45 13.657 -3.579 -5.056 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.680 -3.727 -2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 45 15.934 -3.566 -3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 45 15.468 -2.155 -3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.438 -2.827 -3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.128 -1.199 -3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.044 -1.862 -4.512 1.00 0.00 H new ATOM 761 N ALA A 46 11.509 -0.554 -6.469 1.00 0.00 N ATOM 762 CA ALA A 46 10.501 0.483 -6.316 1.00 0.00 C ATOM 763 C ALA A 46 9.404 0.004 -5.378 1.00 0.00 C ATOM 764 O ALA A 46 9.156 -1.197 -5.259 1.00 0.00 O ATOM 765 CB ALA A 46 9.914 0.844 -7.684 1.00 0.00 C ATOM 0 H ALA A 46 11.123 -1.497 -6.515 1.00 0.00 H new ATOM 0 HA ALA A 46 10.963 1.373 -5.888 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.160 1.621 -7.563 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.708 1.208 -8.336 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.456 -0.040 -8.128 1.00 0.00 H new ATOM 771 N GLU A 47 8.739 0.959 -4.740 1.00 0.00 N ATOM 772 CA GLU A 47 7.641 0.775 -3.812 1.00 0.00 C ATOM 773 C GLU A 47 6.643 1.910 -4.064 1.00 0.00 C ATOM 774 O GLU A 47 7.054 3.040 -4.359 1.00 0.00 O ATOM 775 CB GLU A 47 8.226 0.781 -2.392 1.00 0.00 C ATOM 776 CG GLU A 47 7.194 0.642 -1.265 1.00 0.00 C ATOM 777 CD GLU A 47 7.057 1.930 -0.435 1.00 0.00 C ATOM 778 OE1 GLU A 47 6.303 2.843 -0.838 1.00 0.00 O ATOM 779 OE2 GLU A 47 7.704 2.011 0.632 1.00 0.00 O ATOM 0 H GLU A 47 8.971 1.944 -4.868 1.00 0.00 H new ATOM 0 HA GLU A 47 7.113 -0.170 -3.942 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.945 -0.034 -2.308 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.778 1.710 -2.246 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.225 0.384 -1.693 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.483 -0.180 -0.610 1.00 0.00 H new ATOM 786 N GLY A 48 5.345 1.602 -3.998 1.00 0.00 N ATOM 787 CA GLY A 48 4.284 2.571 -4.236 1.00 0.00 C ATOM 788 C GLY A 48 2.944 1.897 -4.534 1.00 0.00 C ATOM 789 O GLY A 48 2.806 0.691 -4.315 1.00 0.00 O ATOM 0 H GLY A 48 5.004 0.667 -3.776 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.179 3.215 -3.363 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.561 3.212 -5.073 1.00 0.00 H new ATOM 793 N PRO A 49 1.937 2.660 -4.995 1.00 0.00 N ATOM 794 CA PRO A 49 0.673 2.119 -5.485 1.00 0.00 C ATOM 795 C PRO A 49 0.888 1.072 -6.584 1.00 0.00 C ATOM 796 O PRO A 49 1.783 1.219 -7.418 1.00 0.00 O ATOM 797 CB PRO A 49 -0.116 3.321 -6.021 1.00 0.00 C ATOM 798 CG PRO A 49 0.492 4.517 -5.290 1.00 0.00 C ATOM 799 CD PRO A 49 1.952 4.110 -5.114 1.00 0.00 C ATOM 0 HA PRO A 49 0.136 1.605 -4.688 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.011 3.418 -7.102 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.181 3.225 -5.812 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.397 5.435 -5.870 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.004 4.694 -4.331 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.554 4.428 -5.965 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.385 4.573 -4.227 1.00 0.00 H new ATOM 807 N GLU A 50 0.025 0.053 -6.635 1.00 0.00 N ATOM 808 CA GLU A 50 0.110 -1.015 -7.632 1.00 0.00 C ATOM 809 C GLU A 50 -0.002 -0.440 -9.048 1.00 0.00 C ATOM 810 O GLU A 50 0.794 -0.787 -9.916 1.00 0.00 O ATOM 811 CB GLU A 50 -0.994 -2.050 -7.352 1.00 0.00 C ATOM 812 CG GLU A 50 -0.941 -3.259 -8.298 1.00 0.00 C ATOM 813 CD GLU A 50 -2.120 -4.218 -8.048 1.00 0.00 C ATOM 814 OE1 GLU A 50 -2.001 -5.143 -7.214 1.00 0.00 O ATOM 815 OE2 GLU A 50 -3.181 -4.065 -8.696 1.00 0.00 O ATOM 0 H GLU A 50 -0.753 -0.054 -5.984 1.00 0.00 H new ATOM 0 HA GLU A 50 1.079 -1.509 -7.562 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.905 -2.398 -6.323 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.967 -1.568 -7.443 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.962 -2.915 -9.332 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.000 -3.792 -8.158 1.00 0.00 H new ATOM 822 N ASN A 51 -0.953 0.471 -9.283 1.00 0.00 N ATOM 823 CA ASN A 51 -1.169 1.060 -10.606 1.00 0.00 C ATOM 824 C ASN A 51 0.058 1.854 -11.069 1.00 0.00 C ATOM 825 O ASN A 51 0.499 1.709 -12.211 1.00 0.00 O ATOM 826 CB ASN A 51 -2.419 1.952 -10.576 1.00 0.00 C ATOM 827 CG ASN A 51 -2.614 2.690 -11.895 1.00 0.00 C ATOM 828 OD1 ASN A 51 -2.377 3.891 -11.978 1.00 0.00 O ATOM 829 ND2 ASN A 51 -3.032 2.004 -12.945 1.00 0.00 N ATOM 0 H ASN A 51 -1.590 0.818 -8.566 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.324 0.255 -11.324 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.297 1.341 -10.367 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.332 2.674 -9.764 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.162 2.473 -13.842 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.224 1.006 -12.859 1.00 0.00 H new ATOM 836 N ALA A 52 0.641 2.649 -10.162 1.00 0.00 N ATOM 837 CA ALA A 52 1.862 3.399 -10.426 1.00 0.00 C ATOM 838 C ALA A 52 3.004 2.449 -10.782 1.00 0.00 C ATOM 839 O ALA A 52 3.714 2.675 -11.762 1.00 0.00 O ATOM 840 CB ALA A 52 2.219 4.251 -9.201 1.00 0.00 C ATOM 0 H ALA A 52 0.272 2.786 -9.221 1.00 0.00 H new ATOM 0 HA ALA A 52 1.700 4.061 -11.276 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.133 4.811 -9.401 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.406 4.946 -8.992 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.373 3.602 -8.339 1.00 0.00 H new ATOM 846 N LEU A 53 3.159 1.371 -10.011 1.00 0.00 N ATOM 847 CA LEU A 53 4.185 0.371 -10.241 1.00 0.00 C ATOM 848 C LEU A 53 3.980 -0.324 -11.587 1.00 0.00 C ATOM 849 O LEU A 53 4.964 -0.535 -12.289 1.00 0.00 O ATOM 850 CB LEU A 53 4.198 -0.635 -9.079 1.00 0.00 C ATOM 851 CG LEU A 53 4.870 -0.096 -7.802 1.00 0.00 C ATOM 852 CD1 LEU A 53 4.582 -1.044 -6.640 1.00 0.00 C ATOM 853 CD2 LEU A 53 6.392 0.042 -7.936 1.00 0.00 C ATOM 0 H LEU A 53 2.567 1.172 -9.204 1.00 0.00 H new ATOM 0 HA LEU A 53 5.158 0.862 -10.281 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.172 -0.921 -8.846 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.717 -1.539 -9.398 1.00 0.00 H new ATOM 0 HG LEU A 53 4.456 0.897 -7.627 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.057 -0.665 -5.735 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.505 -1.112 -6.484 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.978 -2.033 -6.870 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.806 0.426 -7.004 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.828 -0.933 -8.152 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.625 0.731 -8.748 1.00 0.00 H new ATOM 865 N GLN A 54 2.750 -0.652 -11.993 1.00 0.00 N ATOM 866 CA GLN A 54 2.500 -1.278 -13.292 1.00 0.00 C ATOM 867 C GLN A 54 2.899 -0.341 -14.436 1.00 0.00 C ATOM 868 O GLN A 54 3.631 -0.764 -15.338 1.00 0.00 O ATOM 869 CB GLN A 54 1.031 -1.716 -13.419 1.00 0.00 C ATOM 870 CG GLN A 54 0.685 -2.943 -12.554 1.00 0.00 C ATOM 871 CD GLN A 54 1.474 -4.192 -12.956 1.00 0.00 C ATOM 872 OE1 GLN A 54 1.363 -4.687 -14.076 1.00 0.00 O ATOM 873 NE2 GLN A 54 2.297 -4.723 -12.066 1.00 0.00 N ATOM 0 H GLN A 54 1.910 -0.493 -11.437 1.00 0.00 H new ATOM 0 HA GLN A 54 3.120 -2.172 -13.361 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.385 -0.885 -13.134 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.816 -1.944 -14.463 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.886 -2.713 -11.508 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.382 -3.151 -12.636 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.383 -4.306 -11.139 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.845 -5.549 -12.307 1.00 0.00 H new ATOM 882 N SER A 55 2.498 0.937 -14.383 1.00 0.00 N ATOM 883 CA SER A 55 2.946 1.910 -15.378 1.00 0.00 C ATOM 884 C SER A 55 4.475 1.998 -15.407 1.00 0.00 C ATOM 885 O SER A 55 5.071 2.146 -16.474 1.00 0.00 O ATOM 886 CB SER A 55 2.364 3.291 -15.077 1.00 0.00 C ATOM 887 OG SER A 55 0.953 3.256 -14.957 1.00 0.00 O ATOM 0 H SER A 55 1.873 1.313 -13.670 1.00 0.00 H new ATOM 0 HA SER A 55 2.593 1.575 -16.353 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.797 3.674 -14.153 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.644 3.983 -15.871 1.00 0.00 H new ATOM 0 HG SER A 55 0.707 2.805 -14.123 1.00 0.00 H new ATOM 893 N PHE A 56 5.123 1.886 -14.246 1.00 0.00 N ATOM 894 CA PHE A 56 6.565 1.926 -14.166 1.00 0.00 C ATOM 895 C PHE A 56 7.201 0.662 -14.761 1.00 0.00 C ATOM 896 O PHE A 56 8.237 0.801 -15.405 1.00 0.00 O ATOM 897 CB PHE A 56 6.987 2.225 -12.726 1.00 0.00 C ATOM 898 CG PHE A 56 8.463 2.498 -12.521 1.00 0.00 C ATOM 899 CD1 PHE A 56 9.111 3.498 -13.273 1.00 0.00 C ATOM 900 CD2 PHE A 56 9.177 1.807 -11.522 1.00 0.00 C ATOM 901 CE1 PHE A 56 10.464 3.787 -13.034 1.00 0.00 C ATOM 902 CE2 PHE A 56 10.526 2.103 -11.280 1.00 0.00 C ATOM 903 CZ PHE A 56 11.162 3.103 -12.026 1.00 0.00 C ATOM 0 H PHE A 56 4.657 1.766 -13.347 1.00 0.00 H new ATOM 0 HA PHE A 56 6.947 2.739 -14.784 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.423 3.089 -12.373 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.701 1.380 -12.099 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.568 4.041 -14.032 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.682 1.044 -10.939 1.00 0.00 H new ATOM 0 HE1 PHE A 56 10.968 4.536 -13.626 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.072 1.562 -10.521 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.194 3.349 -11.825 1.00 0.00 H new ATOM 913 N VAL A 57 6.589 -0.531 -14.679 1.00 0.00 N ATOM 914 CA VAL A 57 7.079 -1.680 -15.448 1.00 0.00 C ATOM 915 C VAL A 57 6.977 -1.354 -16.938 1.00 0.00 C ATOM 916 O VAL A 57 7.939 -1.590 -17.666 1.00 0.00 O ATOM 917 CB VAL A 57 6.351 -3.011 -15.143 1.00 0.00 C ATOM 918 CG1 VAL A 57 7.069 -4.180 -15.842 1.00 0.00 C ATOM 919 CG2 VAL A 57 6.307 -3.348 -13.651 1.00 0.00 C ATOM 0 H VAL A 57 5.771 -0.721 -14.100 1.00 0.00 H new ATOM 0 HA VAL A 57 8.114 -1.842 -15.147 1.00 0.00 H new ATOM 0 HB VAL A 57 5.332 -2.877 -15.506 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.548 -5.112 -15.620 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.072 -4.013 -16.919 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.096 -4.244 -15.482 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.783 -4.293 -13.507 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.324 -3.435 -13.267 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.783 -2.557 -13.115 1.00 0.00 H new ATOM 929 N GLU A 58 5.852 -0.790 -17.397 1.00 0.00 N ATOM 930 CA GLU A 58 5.675 -0.466 -18.812 1.00 0.00 C ATOM 931 C GLU A 58 6.729 0.541 -19.293 1.00 0.00 C ATOM 932 O GLU A 58 7.198 0.441 -20.429 1.00 0.00 O ATOM 933 CB GLU A 58 4.252 0.039 -19.094 1.00 0.00 C ATOM 934 CG GLU A 58 3.217 -1.087 -18.975 1.00 0.00 C ATOM 935 CD GLU A 58 1.806 -0.598 -19.350 1.00 0.00 C ATOM 936 OE1 GLU A 58 1.074 -0.089 -18.471 1.00 0.00 O ATOM 937 OE2 GLU A 58 1.405 -0.736 -20.528 1.00 0.00 O ATOM 0 H GLU A 58 5.055 -0.550 -16.808 1.00 0.00 H new ATOM 0 HA GLU A 58 5.818 -1.386 -19.379 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.004 0.837 -18.394 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.210 0.468 -20.095 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.501 -1.914 -19.625 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.211 -1.471 -17.955 1.00 0.00 H new ATOM 944 N ALA A 59 7.146 1.477 -18.434 1.00 0.00 N ATOM 945 CA ALA A 59 8.256 2.369 -18.717 1.00 0.00 C ATOM 946 C ALA A 59 9.582 1.597 -18.766 1.00 0.00 C ATOM 947 O ALA A 59 10.316 1.686 -19.750 1.00 0.00 O ATOM 948 CB ALA A 59 8.311 3.490 -17.673 1.00 0.00 C ATOM 0 H ALA A 59 6.716 1.631 -17.522 1.00 0.00 H new ATOM 0 HA ALA A 59 8.099 2.818 -19.698 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.147 4.153 -17.895 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.381 4.058 -17.699 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.444 3.057 -16.681 1.00 0.00 H new ATOM 954 N VAL A 60 9.893 0.828 -17.720 1.00 0.00 N ATOM 955 CA VAL A 60 11.171 0.146 -17.548 1.00 0.00 C ATOM 956 C VAL A 60 11.416 -0.851 -18.683 1.00 0.00 C ATOM 957 O VAL A 60 12.521 -0.888 -19.228 1.00 0.00 O ATOM 958 CB VAL A 60 11.193 -0.502 -16.143 1.00 0.00 C ATOM 959 CG1 VAL A 60 12.279 -1.569 -15.968 1.00 0.00 C ATOM 960 CG2 VAL A 60 11.414 0.575 -15.067 1.00 0.00 C ATOM 0 H VAL A 60 9.244 0.660 -16.951 1.00 0.00 H new ATOM 0 HA VAL A 60 11.997 0.855 -17.605 1.00 0.00 H new ATOM 0 HB VAL A 60 10.225 -0.990 -16.034 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.230 -1.976 -14.958 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.121 -2.370 -16.690 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.259 -1.121 -16.131 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.428 0.108 -14.082 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.365 1.076 -15.244 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.606 1.305 -15.111 1.00 0.00 H new ATOM 970 N LYS A 61 10.411 -1.640 -19.083 1.00 0.00 N ATOM 971 CA LYS A 61 10.588 -2.675 -20.103 1.00 0.00 C ATOM 972 C LYS A 61 10.948 -2.103 -21.477 1.00 0.00 C ATOM 973 O LYS A 61 11.463 -2.844 -22.314 1.00 0.00 O ATOM 974 CB LYS A 61 9.372 -3.617 -20.152 1.00 0.00 C ATOM 975 CG LYS A 61 8.099 -2.979 -20.731 1.00 0.00 C ATOM 976 CD LYS A 61 6.875 -3.898 -20.621 1.00 0.00 C ATOM 977 CE LYS A 61 7.017 -5.166 -21.478 1.00 0.00 C ATOM 978 NZ LYS A 61 5.804 -6.022 -21.422 1.00 0.00 N ATOM 0 H LYS A 61 9.463 -1.579 -18.712 1.00 0.00 H new ATOM 0 HA LYS A 61 11.450 -3.273 -19.807 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.629 -4.492 -20.749 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.160 -3.970 -19.143 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.895 -2.045 -20.208 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.267 -2.728 -21.778 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.729 -4.181 -19.579 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.984 -3.351 -20.930 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.212 -4.883 -22.512 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.879 -5.738 -21.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.946 -6.865 -22.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.631 -6.315 -20.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.985 -5.486 -21.773 1.00 0.00 H new ATOM 992 N ASN A 62 10.704 -0.810 -21.728 1.00 0.00 N ATOM 993 CA ASN A 62 11.134 -0.159 -22.965 1.00 0.00 C ATOM 994 C ASN A 62 12.660 -0.008 -23.030 1.00 0.00 C ATOM 995 O ASN A 62 13.212 0.109 -24.124 1.00 0.00 O ATOM 996 CB ASN A 62 10.478 1.227 -23.101 1.00 0.00 C ATOM 997 CG ASN A 62 10.751 1.844 -24.472 1.00 0.00 C ATOM 998 OD1 ASN A 62 11.499 2.808 -24.606 1.00 0.00 O ATOM 999 ND2 ASN A 62 10.138 1.318 -25.521 1.00 0.00 N ATOM 0 H ASN A 62 10.208 -0.194 -21.084 1.00 0.00 H new ATOM 0 HA ASN A 62 10.818 -0.798 -23.790 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.402 1.138 -22.949 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.857 1.888 -22.321 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.286 1.714 -26.449 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.518 0.517 -25.401 1.00 0.00 H new ATOM 1006 N GLY A 63 13.347 -0.002 -21.882 1.00 0.00 N ATOM 1007 CA GLY A 63 14.668 0.605 -21.779 1.00 0.00 C ATOM 1008 C GLY A 63 14.531 2.128 -21.897 1.00 0.00 C ATOM 1009 O GLY A 63 13.415 2.654 -21.878 1.00 0.00 O ATOM 0 H GLY A 63 13.005 -0.413 -21.013 1.00 0.00 H new ATOM 0 HA2 GLY A 63 15.130 0.342 -20.827 1.00 0.00 H new ATOM 0 HA3 GLY A 63 15.319 0.224 -22.566 1.00 0.00 H new ATOM 1013 N SER A 64 15.642 2.857 -22.030 1.00 0.00 N ATOM 1014 CA SER A 64 15.557 4.188 -22.622 1.00 0.00 C ATOM 1015 C SER A 64 15.235 4.023 -24.118 1.00 0.00 C ATOM 1016 O SER A 64 15.510 2.961 -24.687 1.00 0.00 O ATOM 1017 CB SER A 64 16.863 4.965 -22.401 1.00 0.00 C ATOM 1018 OG SER A 64 17.959 4.356 -23.062 1.00 0.00 O ATOM 0 H SER A 64 16.576 2.561 -21.747 1.00 0.00 H new ATOM 0 HA SER A 64 14.767 4.768 -22.145 1.00 0.00 H new ATOM 0 HB2 SER A 64 16.743 5.986 -22.762 1.00 0.00 H new ATOM 0 HB3 SER A 64 17.072 5.027 -21.333 1.00 0.00 H new ATOM 0 HG SER A 64 18.798 4.715 -22.704 1.00 0.00 H new ATOM 1024 N PRO A 65 14.761 5.074 -24.806 1.00 0.00 N ATOM 1025 CA PRO A 65 14.740 5.139 -26.263 1.00 0.00 C ATOM 1026 C PRO A 65 16.069 4.752 -26.941 1.00 0.00 C ATOM 1027 O PRO A 65 16.055 4.316 -28.094 1.00 0.00 O ATOM 1028 CB PRO A 65 14.346 6.583 -26.586 1.00 0.00 C ATOM 1029 CG PRO A 65 13.467 6.977 -25.399 1.00 0.00 C ATOM 1030 CD PRO A 65 14.098 6.229 -24.225 1.00 0.00 C ATOM 0 HA PRO A 65 14.038 4.405 -26.658 1.00 0.00 H new ATOM 0 HB2 PRO A 65 15.219 7.229 -26.673 1.00 0.00 H new ATOM 0 HB3 PRO A 65 13.804 6.651 -27.529 1.00 0.00 H new ATOM 0 HG2 PRO A 65 13.471 8.055 -25.237 1.00 0.00 H new ATOM 0 HG3 PRO A 65 12.429 6.681 -25.552 1.00 0.00 H new ATOM 0 HD2 PRO A 65 14.809 6.862 -23.694 1.00 0.00 H new ATOM 0 HD3 PRO A 65 13.341 5.924 -23.503 1.00 0.00 H new ATOM 1038 N PHE A 66 17.209 4.901 -26.251 1.00 0.00 N ATOM 1039 CA PHE A 66 18.532 4.558 -26.771 1.00 0.00 C ATOM 1040 C PHE A 66 18.925 3.110 -26.444 1.00 0.00 C ATOM 1041 O PHE A 66 19.825 2.557 -27.084 1.00 0.00 O ATOM 1042 CB PHE A 66 19.564 5.531 -26.179 1.00 0.00 C ATOM 1043 CG PHE A 66 19.213 7.000 -26.339 1.00 0.00 C ATOM 1044 CD1 PHE A 66 19.262 7.607 -27.610 1.00 0.00 C ATOM 1045 CD2 PHE A 66 18.810 7.756 -25.220 1.00 0.00 C ATOM 1046 CE1 PHE A 66 18.909 8.959 -27.760 1.00 0.00 C ATOM 1047 CE2 PHE A 66 18.455 9.109 -25.372 1.00 0.00 C ATOM 1048 CZ PHE A 66 18.504 9.711 -26.641 1.00 0.00 C ATOM 0 H PHE A 66 17.233 5.270 -25.300 1.00 0.00 H new ATOM 0 HA PHE A 66 18.506 4.644 -27.857 1.00 0.00 H new ATOM 0 HB2 PHE A 66 19.682 5.313 -25.118 1.00 0.00 H new ATOM 0 HB3 PHE A 66 20.529 5.348 -26.652 1.00 0.00 H new ATOM 0 HD1 PHE A 66 19.571 7.032 -28.470 1.00 0.00 H new ATOM 0 HD2 PHE A 66 18.774 7.296 -24.244 1.00 0.00 H new ATOM 0 HE1 PHE A 66 18.948 9.422 -28.735 1.00 0.00 H new ATOM 0 HE2 PHE A 66 18.145 9.685 -24.513 1.00 0.00 H new ATOM 0 HZ PHE A 66 18.231 10.749 -26.758 1.00 0.00 H new ATOM 1058 N SER A 67 18.279 2.480 -25.463 1.00 0.00 N ATOM 1059 CA SER A 67 18.570 1.117 -25.044 1.00 0.00 C ATOM 1060 C SER A 67 18.066 0.083 -26.060 1.00 0.00 C ATOM 1061 O SER A 67 17.278 0.389 -26.959 1.00 0.00 O ATOM 1062 CB SER A 67 17.892 0.854 -23.693 1.00 0.00 C ATOM 1063 OG SER A 67 18.348 1.717 -22.669 1.00 0.00 O ATOM 0 H SER A 67 17.526 2.914 -24.930 1.00 0.00 H new ATOM 0 HA SER A 67 19.652 1.015 -24.967 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.814 0.970 -23.805 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.073 -0.179 -23.397 1.00 0.00 H new ATOM 0 HG SER A 67 18.261 2.648 -22.963 1.00 0.00 H new ATOM 1069 N LYS A 68 18.461 -1.173 -25.843 1.00 0.00 N ATOM 1070 CA LYS A 68 17.811 -2.367 -26.365 1.00 0.00 C ATOM 1071 C LYS A 68 17.801 -3.360 -25.209 1.00 0.00 C ATOM 1072 O LYS A 68 18.822 -3.995 -24.941 1.00 0.00 O ATOM 1073 CB LYS A 68 18.555 -2.912 -27.599 1.00 0.00 C ATOM 1074 CG LYS A 68 17.831 -4.131 -28.199 1.00 0.00 C ATOM 1075 CD LYS A 68 18.676 -4.805 -29.288 1.00 0.00 C ATOM 1076 CE LYS A 68 17.882 -5.949 -29.936 1.00 0.00 C ATOM 1077 NZ LYS A 68 18.658 -6.640 -30.997 1.00 0.00 N ATOM 0 H LYS A 68 19.279 -1.390 -25.273 1.00 0.00 H new ATOM 0 HA LYS A 68 16.798 -2.163 -26.712 1.00 0.00 H new ATOM 0 HB2 LYS A 68 18.636 -2.128 -28.352 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.571 -3.192 -27.319 1.00 0.00 H new ATOM 0 HG2 LYS A 68 17.611 -4.850 -27.410 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.876 -3.818 -28.620 1.00 0.00 H new ATOM 0 HD2 LYS A 68 18.959 -4.074 -30.045 1.00 0.00 H new ATOM 0 HD3 LYS A 68 19.599 -5.191 -28.856 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.596 -6.670 -29.170 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.960 -5.553 -30.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.083 -7.404 -31.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.910 -5.959 -31.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.526 -7.041 -30.587 1.00 0.00 H new ATOM 1091 N VAL A 69 16.683 -3.456 -24.491 1.00 0.00 N ATOM 1092 CA VAL A 69 16.475 -4.540 -23.536 1.00 0.00 C ATOM 1093 C VAL A 69 16.448 -5.840 -24.344 1.00 0.00 C ATOM 1094 O VAL A 69 15.778 -5.905 -25.380 1.00 0.00 O ATOM 1095 CB VAL A 69 15.163 -4.326 -22.745 1.00 0.00 C ATOM 1096 CG1 VAL A 69 14.925 -5.442 -21.715 1.00 0.00 C ATOM 1097 CG2 VAL A 69 15.165 -2.972 -22.017 1.00 0.00 C ATOM 0 H VAL A 69 15.908 -2.796 -24.553 1.00 0.00 H new ATOM 0 HA VAL A 69 17.274 -4.575 -22.795 1.00 0.00 H new ATOM 0 HB VAL A 69 14.357 -4.345 -23.479 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.993 -5.253 -21.182 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.861 -6.402 -22.227 1.00 0.00 H new ATOM 0 HG13 VAL A 69 15.751 -5.464 -21.005 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.230 -2.851 -21.470 1.00 0.00 H new ATOM 0 HG22 VAL A 69 16.001 -2.936 -21.318 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.266 -2.167 -22.745 1.00 0.00 H new ATOM 1107 N THR A 70 17.135 -6.874 -23.867 1.00 0.00 N ATOM 1108 CA THR A 70 17.107 -8.209 -24.455 1.00 0.00 C ATOM 1109 C THR A 70 16.574 -9.235 -23.445 1.00 0.00 C ATOM 1110 O THR A 70 16.098 -10.294 -23.857 1.00 0.00 O ATOM 1111 CB THR A 70 18.498 -8.563 -25.014 1.00 0.00 C ATOM 1112 OG1 THR A 70 19.484 -8.499 -24.003 1.00 0.00 O ATOM 1113 CG2 THR A 70 18.924 -7.593 -26.126 1.00 0.00 C ATOM 0 H THR A 70 17.737 -6.806 -23.047 1.00 0.00 H new ATOM 0 HA THR A 70 16.414 -8.229 -25.296 1.00 0.00 H new ATOM 0 HB THR A 70 18.418 -9.576 -25.409 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.357 -8.730 -24.383 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.910 -7.874 -26.496 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.204 -7.637 -26.943 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.961 -6.578 -25.729 1.00 0.00 H new ATOM 1121 N ASP A 71 16.579 -8.921 -22.141 1.00 0.00 N ATOM 1122 CA ASP A 71 15.934 -9.722 -21.101 1.00 0.00 C ATOM 1123 C ASP A 71 15.606 -8.830 -19.900 1.00 0.00 C ATOM 1124 O ASP A 71 16.265 -7.811 -19.676 1.00 0.00 O ATOM 1125 CB ASP A 71 16.848 -10.884 -20.678 1.00 0.00 C ATOM 1126 CG ASP A 71 16.195 -11.770 -19.606 1.00 0.00 C ATOM 1127 OD1 ASP A 71 15.019 -12.161 -19.779 1.00 0.00 O ATOM 1128 OD2 ASP A 71 16.867 -12.105 -18.606 1.00 0.00 O ATOM 0 H ASP A 71 17.041 -8.087 -21.778 1.00 0.00 H new ATOM 0 HA ASP A 71 15.009 -10.144 -21.493 1.00 0.00 H new ATOM 0 HB2 ASP A 71 17.091 -11.490 -21.551 1.00 0.00 H new ATOM 0 HB3 ASP A 71 17.788 -10.485 -20.296 1.00 0.00 H new ATOM 1133 N ILE A 72 14.587 -9.205 -19.131 1.00 0.00 N ATOM 1134 CA ILE A 72 14.109 -8.503 -17.947 1.00 0.00 C ATOM 1135 C ILE A 72 13.574 -9.556 -16.961 1.00 0.00 C ATOM 1136 O ILE A 72 13.034 -10.585 -17.378 1.00 0.00 O ATOM 1137 CB ILE A 72 13.068 -7.425 -18.359 1.00 0.00 C ATOM 1138 CG1 ILE A 72 12.526 -6.666 -17.127 1.00 0.00 C ATOM 1139 CG2 ILE A 72 11.914 -7.985 -19.218 1.00 0.00 C ATOM 1140 CD1 ILE A 72 11.776 -5.373 -17.468 1.00 0.00 C ATOM 0 H ILE A 72 14.047 -10.048 -19.328 1.00 0.00 H new ATOM 0 HA ILE A 72 14.906 -7.957 -17.442 1.00 0.00 H new ATOM 0 HB ILE A 72 13.604 -6.718 -18.992 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.858 -7.325 -16.573 1.00 0.00 H new ATOM 0 HG13 ILE A 72 13.359 -6.427 -16.466 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.224 -7.180 -19.470 1.00 0.00 H new ATOM 0 HG22 ILE A 72 12.318 -8.417 -20.134 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.384 -8.755 -18.658 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.428 -4.901 -16.549 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.445 -4.692 -17.995 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.921 -5.605 -18.103 1.00 0.00 H new ATOM 1152 N SER A 73 13.715 -9.293 -15.662 1.00 0.00 N ATOM 1153 CA SER A 73 13.361 -10.194 -14.566 1.00 0.00 C ATOM 1154 C SER A 73 12.696 -9.365 -13.468 1.00 0.00 C ATOM 1155 O SER A 73 13.078 -8.211 -13.274 1.00 0.00 O ATOM 1156 CB SER A 73 14.640 -10.857 -14.028 1.00 0.00 C ATOM 1157 OG SER A 73 15.361 -11.531 -15.050 1.00 0.00 O ATOM 0 H SER A 73 14.096 -8.407 -15.331 1.00 0.00 H new ATOM 0 HA SER A 73 12.678 -10.972 -14.907 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.278 -10.099 -13.574 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.378 -11.565 -13.242 1.00 0.00 H new ATOM 0 HG SER A 73 16.167 -11.937 -14.668 1.00 0.00 H new ATOM 1163 N VAL A 74 11.727 -9.932 -12.744 1.00 0.00 N ATOM 1164 CA VAL A 74 10.911 -9.216 -11.760 1.00 0.00 C ATOM 1165 C VAL A 74 10.779 -10.095 -10.510 1.00 0.00 C ATOM 1166 O VAL A 74 10.628 -11.316 -10.618 1.00 0.00 O ATOM 1167 CB VAL A 74 9.525 -8.876 -12.373 1.00 0.00 C ATOM 1168 CG1 VAL A 74 8.641 -8.066 -11.407 1.00 0.00 C ATOM 1169 CG2 VAL A 74 9.639 -8.107 -13.701 1.00 0.00 C ATOM 0 H VAL A 74 11.483 -10.919 -12.827 1.00 0.00 H new ATOM 0 HA VAL A 74 11.382 -8.274 -11.479 1.00 0.00 H new ATOM 0 HB VAL A 74 9.056 -9.841 -12.563 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.683 -7.853 -11.882 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.475 -8.642 -10.496 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.138 -7.129 -11.158 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.641 -7.895 -14.086 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.170 -7.170 -13.534 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.186 -8.711 -14.425 1.00 0.00 H new ATOM 1179 N THR A 75 10.801 -9.464 -9.336 1.00 0.00 N ATOM 1180 CA THR A 75 10.646 -10.088 -8.030 1.00 0.00 C ATOM 1181 C THR A 75 9.705 -9.185 -7.225 1.00 0.00 C ATOM 1182 O THR A 75 10.135 -8.193 -6.630 1.00 0.00 O ATOM 1183 CB THR A 75 12.027 -10.266 -7.362 1.00 0.00 C ATOM 1184 OG1 THR A 75 12.952 -10.888 -8.240 1.00 0.00 O ATOM 1185 CG2 THR A 75 11.943 -11.121 -6.092 1.00 0.00 C ATOM 0 H THR A 75 10.934 -8.455 -9.271 1.00 0.00 H new ATOM 0 HA THR A 75 10.218 -11.088 -8.097 1.00 0.00 H new ATOM 0 HB THR A 75 12.366 -9.262 -7.108 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.817 -10.985 -7.789 1.00 0.00 H new ATOM 0 HG21 THR A 75 12.936 -11.221 -5.654 1.00 0.00 H new ATOM 0 HG22 THR A 75 11.277 -10.642 -5.374 1.00 0.00 H new ATOM 0 HG23 THR A 75 11.556 -12.109 -6.343 1.00 0.00 H new ATOM 1193 N GLU A 76 8.402 -9.474 -7.263 1.00 0.00 N ATOM 1194 CA GLU A 76 7.415 -8.787 -6.440 1.00 0.00 C ATOM 1195 C GLU A 76 7.727 -9.082 -4.969 1.00 0.00 C ATOM 1196 O GLU A 76 8.096 -10.204 -4.610 1.00 0.00 O ATOM 1197 CB GLU A 76 5.994 -9.234 -6.813 1.00 0.00 C ATOM 1198 CG GLU A 76 5.598 -8.780 -8.226 1.00 0.00 C ATOM 1199 CD GLU A 76 4.179 -9.250 -8.592 1.00 0.00 C ATOM 1200 OE1 GLU A 76 4.021 -10.376 -9.118 1.00 0.00 O ATOM 1201 OE2 GLU A 76 3.205 -8.494 -8.374 1.00 0.00 O ATOM 0 H GLU A 76 8.005 -10.193 -7.868 1.00 0.00 H new ATOM 0 HA GLU A 76 7.465 -7.712 -6.611 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.928 -10.320 -6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.286 -8.829 -6.091 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.650 -7.693 -8.288 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.311 -9.175 -8.950 1.00 0.00 H new ATOM 1208 N SER A 77 7.590 -8.057 -4.133 1.00 0.00 N ATOM 1209 CA SER A 77 8.003 -8.039 -2.733 1.00 0.00 C ATOM 1210 C SER A 77 7.007 -7.190 -1.931 1.00 0.00 C ATOM 1211 O SER A 77 6.210 -6.453 -2.516 1.00 0.00 O ATOM 1212 CB SER A 77 9.419 -7.442 -2.650 1.00 0.00 C ATOM 1213 OG SER A 77 10.357 -8.148 -3.451 1.00 0.00 O ATOM 0 H SER A 77 7.169 -7.176 -4.427 1.00 0.00 H new ATOM 0 HA SER A 77 8.016 -9.047 -2.318 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.389 -6.399 -2.966 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.753 -7.451 -1.612 1.00 0.00 H new ATOM 0 HG SER A 77 10.141 -8.019 -4.398 1.00 0.00 H new ATOM 1219 N ARG A 78 7.028 -7.269 -0.594 1.00 0.00 N ATOM 1220 CA ARG A 78 6.194 -6.401 0.249 1.00 0.00 C ATOM 1221 C ARG A 78 6.887 -6.005 1.557 1.00 0.00 C ATOM 1222 O ARG A 78 6.229 -5.629 2.527 1.00 0.00 O ATOM 1223 CB ARG A 78 4.796 -7.034 0.438 1.00 0.00 C ATOM 1224 CG ARG A 78 3.700 -5.981 0.213 1.00 0.00 C ATOM 1225 CD ARG A 78 2.306 -6.613 0.164 1.00 0.00 C ATOM 1226 NE ARG A 78 1.314 -5.670 -0.380 1.00 0.00 N ATOM 1227 CZ ARG A 78 0.093 -5.991 -0.825 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -0.378 -7.230 -0.708 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -0.644 -5.047 -1.395 1.00 0.00 N ATOM 0 H ARG A 78 7.612 -7.923 -0.073 1.00 0.00 H new ATOM 0 HA ARG A 78 6.046 -5.452 -0.266 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.666 -7.860 -0.261 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.710 -7.450 1.442 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.736 -5.242 1.013 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.892 -5.450 -0.720 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.333 -7.512 -0.451 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.008 -6.921 1.166 1.00 0.00 H new ATOM 0 HE ARG A 78 1.581 -4.686 -0.421 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.194 -7.954 -0.273 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.311 -7.456 -1.053 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.277 -4.100 -1.487 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.577 -5.268 -1.742 1.00 0.00 H new ATOM 1243 N SER A 79 8.216 -6.068 1.587 1.00 0.00 N ATOM 1244 CA SER A 79 9.056 -5.613 2.689 1.00 0.00 C ATOM 1245 C SER A 79 9.343 -4.125 2.446 1.00 0.00 C ATOM 1246 O SER A 79 10.472 -3.747 2.128 1.00 0.00 O ATOM 1247 CB SER A 79 10.326 -6.476 2.743 1.00 0.00 C ATOM 1248 OG SER A 79 9.991 -7.855 2.852 1.00 0.00 O ATOM 0 H SER A 79 8.757 -6.453 0.813 1.00 0.00 H new ATOM 0 HA SER A 79 8.572 -5.719 3.660 1.00 0.00 H new ATOM 0 HB2 SER A 79 10.923 -6.311 1.846 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.939 -6.177 3.593 1.00 0.00 H new ATOM 0 HG SER A 79 10.812 -8.390 2.883 1.00 0.00 H new ATOM 1254 N LEU A 80 8.272 -3.319 2.455 1.00 0.00 N ATOM 1255 CA LEU A 80 8.201 -1.998 1.825 1.00 0.00 C ATOM 1256 C LEU A 80 9.354 -1.077 2.242 1.00 0.00 C ATOM 1257 O LEU A 80 9.800 -1.097 3.392 1.00 0.00 O ATOM 1258 CB LEU A 80 6.841 -1.331 2.116 1.00 0.00 C ATOM 1259 CG LEU A 80 5.590 -2.119 1.672 1.00 0.00 C ATOM 1260 CD1 LEU A 80 4.338 -1.255 1.855 1.00 0.00 C ATOM 1261 CD2 LEU A 80 5.649 -2.603 0.216 1.00 0.00 C ATOM 0 H LEU A 80 7.402 -3.581 2.918 1.00 0.00 H new ATOM 0 HA LEU A 80 8.299 -2.157 0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.770 -1.150 3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.825 -0.357 1.627 1.00 0.00 H new ATOM 0 HG LEU A 80 5.553 -3.006 2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.459 -1.817 1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.236 -0.980 2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.427 -0.352 1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.736 -3.148 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.744 -1.745 -0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.509 -3.260 0.086 1.00 0.00 H new ATOM 1273 N GLU A 81 9.812 -0.253 1.295 1.00 0.00 N ATOM 1274 CA GLU A 81 10.989 0.599 1.440 1.00 0.00 C ATOM 1275 C GLU A 81 10.810 1.644 2.549 1.00 0.00 C ATOM 1276 O GLU A 81 11.782 1.989 3.223 1.00 0.00 O ATOM 1277 CB GLU A 81 11.282 1.322 0.109 1.00 0.00 C ATOM 1278 CG GLU A 81 11.717 0.399 -1.037 1.00 0.00 C ATOM 1279 CD GLU A 81 13.032 -0.326 -0.718 1.00 0.00 C ATOM 1280 OE1 GLU A 81 14.110 0.307 -0.766 1.00 0.00 O ATOM 1281 OE2 GLU A 81 12.975 -1.537 -0.419 1.00 0.00 O ATOM 0 H GLU A 81 9.361 -0.160 0.385 1.00 0.00 H new ATOM 0 HA GLU A 81 11.824 -0.046 1.713 1.00 0.00 H new ATOM 0 HB2 GLU A 81 10.388 1.865 -0.199 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.063 2.063 0.278 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.935 -0.335 -1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.836 0.984 -1.949 1.00 0.00 H new ATOM 1288 N GLY A 82 9.600 2.188 2.710 1.00 0.00 N ATOM 1289 CA GLY A 82 9.318 3.295 3.622 1.00 0.00 C ATOM 1290 C GLY A 82 10.066 4.584 3.250 1.00 0.00 C ATOM 1291 O GLY A 82 10.122 5.514 4.057 1.00 0.00 O ATOM 0 H GLY A 82 8.777 1.865 2.201 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.246 3.492 3.625 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.592 3.002 4.636 1.00 0.00 H new ATOM 1295 N HIS A 83 10.668 4.636 2.056 1.00 0.00 N ATOM 1296 CA HIS A 83 11.391 5.788 1.539 1.00 0.00 C ATOM 1297 C HIS A 83 10.391 6.849 1.061 1.00 0.00 C ATOM 1298 O HIS A 83 9.197 6.572 0.909 1.00 0.00 O ATOM 1299 CB HIS A 83 12.323 5.327 0.403 1.00 0.00 C ATOM 1300 CG HIS A 83 13.584 4.634 0.873 1.00 0.00 C ATOM 1301 ND1 HIS A 83 13.705 3.695 1.879 1.00 0.00 N ATOM 1302 CD2 HIS A 83 14.840 4.832 0.363 1.00 0.00 C ATOM 1303 CE1 HIS A 83 14.998 3.342 1.967 1.00 0.00 C ATOM 1304 NE2 HIS A 83 15.737 4.014 1.063 1.00 0.00 N ATOM 0 H HIS A 83 10.661 3.849 1.408 1.00 0.00 H new ATOM 0 HA HIS A 83 12.003 6.238 2.321 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.773 4.650 -0.250 1.00 0.00 H new ATOM 0 HB3 HIS A 83 12.601 6.193 -0.197 1.00 0.00 H new ATOM 0 HD1 HIS A 83 12.945 3.333 2.455 1.00 0.00 H new ATOM 0 HD2 HIS A 83 15.096 5.505 -0.442 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.391 2.619 2.666 1.00 0.00 H new ATOM 1312 N HIS A 84 10.877 8.067 0.804 1.00 0.00 N ATOM 1313 CA HIS A 84 10.060 9.206 0.371 1.00 0.00 C ATOM 1314 C HIS A 84 10.633 9.863 -0.900 1.00 0.00 C ATOM 1315 O HIS A 84 10.174 10.937 -1.298 1.00 0.00 O ATOM 1316 CB HIS A 84 9.917 10.214 1.529 1.00 0.00 C ATOM 1317 CG HIS A 84 9.212 9.704 2.770 1.00 0.00 C ATOM 1318 ND1 HIS A 84 8.469 8.548 2.898 1.00 0.00 N ATOM 1319 CD2 HIS A 84 9.167 10.338 3.982 1.00 0.00 C ATOM 1320 CE1 HIS A 84 8.008 8.479 4.157 1.00 0.00 C ATOM 1321 NE2 HIS A 84 8.403 9.557 4.863 1.00 0.00 N ATOM 0 H HIS A 84 11.868 8.294 0.893 1.00 0.00 H new ATOM 0 HA HIS A 84 9.066 8.845 0.108 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.913 10.553 1.814 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.377 11.086 1.161 1.00 0.00 H new ATOM 0 HD1 HIS A 84 8.299 7.863 2.162 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.639 11.280 4.220 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.405 7.673 4.549 1.00 0.00 H new ATOM 1329 N ARG A 85 11.617 9.236 -1.555 1.00 0.00 N ATOM 1330 CA ARG A 85 12.180 9.676 -2.828 1.00 0.00 C ATOM 1331 C ARG A 85 12.607 8.459 -3.641 1.00 0.00 C ATOM 1332 O ARG A 85 12.731 7.359 -3.093 1.00 0.00 O ATOM 1333 CB ARG A 85 13.369 10.628 -2.596 1.00 0.00 C ATOM 1334 CG ARG A 85 14.536 10.000 -1.802 1.00 0.00 C ATOM 1335 CD ARG A 85 15.823 10.821 -1.941 1.00 0.00 C ATOM 1336 NE ARG A 85 16.333 10.747 -3.321 1.00 0.00 N ATOM 1337 CZ ARG A 85 16.895 11.726 -4.033 1.00 0.00 C ATOM 1338 NH1 ARG A 85 17.291 12.857 -3.457 1.00 0.00 N ATOM 1339 NH2 ARG A 85 17.042 11.547 -5.341 1.00 0.00 N ATOM 0 H ARG A 85 12.053 8.385 -1.200 1.00 0.00 H new ATOM 0 HA ARG A 85 11.421 10.225 -3.386 1.00 0.00 H new ATOM 0 HB2 ARG A 85 13.742 10.967 -3.562 1.00 0.00 H new ATOM 0 HB3 ARG A 85 13.015 11.511 -2.063 1.00 0.00 H new ATOM 0 HG2 ARG A 85 14.263 9.928 -0.749 1.00 0.00 H new ATOM 0 HG3 ARG A 85 14.712 8.984 -2.156 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.630 11.860 -1.673 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.577 10.448 -1.248 1.00 0.00 H new ATOM 0 HE ARG A 85 16.247 9.843 -3.786 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.167 12.989 -2.453 1.00 0.00 H new ATOM 0 HH12 ARG A 85 17.718 13.593 -4.019 1.00 0.00 H new ATOM 0 HH21 ARG A 85 16.729 10.679 -5.775 1.00 0.00 H new ATOM 0 HH22 ARG A 85 17.468 12.278 -5.911 1.00 0.00 H new ATOM 1353 N PHE A 86 12.877 8.665 -4.927 1.00 0.00 N ATOM 1354 CA PHE A 86 13.584 7.705 -5.762 1.00 0.00 C ATOM 1355 C PHE A 86 15.044 8.170 -5.863 1.00 0.00 C ATOM 1356 O PHE A 86 15.298 9.373 -5.724 1.00 0.00 O ATOM 1357 CB PHE A 86 12.892 7.613 -7.129 1.00 0.00 C ATOM 1358 CG PHE A 86 13.076 6.268 -7.798 1.00 0.00 C ATOM 1359 CD1 PHE A 86 12.312 5.163 -7.381 1.00 0.00 C ATOM 1360 CD2 PHE A 86 13.997 6.117 -8.844 1.00 0.00 C ATOM 1361 CE1 PHE A 86 12.508 3.905 -7.971 1.00 0.00 C ATOM 1362 CE2 PHE A 86 14.193 4.861 -9.443 1.00 0.00 C ATOM 1363 CZ PHE A 86 13.454 3.751 -8.998 1.00 0.00 C ATOM 0 H PHE A 86 12.607 9.515 -5.422 1.00 0.00 H new ATOM 0 HA PHE A 86 13.568 6.702 -5.336 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.827 7.807 -7.004 1.00 0.00 H new ATOM 0 HB3 PHE A 86 13.284 8.393 -7.781 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.572 5.283 -6.604 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.559 6.971 -9.192 1.00 0.00 H new ATOM 0 HE1 PHE A 86 11.932 3.055 -7.636 1.00 0.00 H new ATOM 0 HE2 PHE A 86 14.910 4.749 -10.243 1.00 0.00 H new ATOM 0 HZ PHE A 86 13.613 2.781 -9.445 1.00 0.00 H new ATOM 1373 N SER A 87 15.999 7.265 -6.091 1.00 0.00 N ATOM 1374 CA SER A 87 17.426 7.608 -6.073 1.00 0.00 C ATOM 1375 C SER A 87 18.212 6.923 -7.199 1.00 0.00 C ATOM 1376 O SER A 87 17.867 5.821 -7.638 1.00 0.00 O ATOM 1377 CB SER A 87 17.998 7.251 -4.695 1.00 0.00 C ATOM 1378 OG SER A 87 17.281 7.927 -3.671 1.00 0.00 O ATOM 0 H SER A 87 15.810 6.283 -6.292 1.00 0.00 H new ATOM 0 HA SER A 87 17.528 8.678 -6.252 1.00 0.00 H new ATOM 0 HB2 SER A 87 17.940 6.174 -4.538 1.00 0.00 H new ATOM 0 HB3 SER A 87 19.052 7.523 -4.650 1.00 0.00 H new ATOM 0 HG SER A 87 17.656 7.689 -2.797 1.00 0.00 H new ATOM 1384 N ILE A 88 19.267 7.581 -7.692 1.00 0.00 N ATOM 1385 CA ILE A 88 20.292 6.949 -8.523 1.00 0.00 C ATOM 1386 C ILE A 88 21.350 6.465 -7.528 1.00 0.00 C ATOM 1387 O ILE A 88 21.773 7.229 -6.655 1.00 0.00 O ATOM 1388 CB ILE A 88 20.895 7.926 -9.572 1.00 0.00 C ATOM 1389 CG1 ILE A 88 19.808 8.582 -10.451 1.00 0.00 C ATOM 1390 CG2 ILE A 88 21.885 7.172 -10.479 1.00 0.00 C ATOM 1391 CD1 ILE A 88 20.307 9.536 -11.542 1.00 0.00 C ATOM 0 H ILE A 88 19.433 8.573 -7.523 1.00 0.00 H new ATOM 0 HA ILE A 88 19.878 6.135 -9.118 1.00 0.00 H new ATOM 0 HB ILE A 88 21.406 8.715 -9.021 1.00 0.00 H new ATOM 0 HG12 ILE A 88 19.228 7.791 -10.926 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.126 9.131 -9.801 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.304 7.861 -11.212 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.689 6.754 -9.872 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.364 6.366 -10.996 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.456 9.935 -12.094 1.00 0.00 H new ATOM 0 HD12 ILE A 88 20.859 10.356 -11.083 1.00 0.00 H new ATOM 0 HD13 ILE A 88 20.962 8.996 -12.226 1.00 0.00 H new ATOM 1403 N VAL A 89 21.764 5.207 -7.643 1.00 0.00 N ATOM 1404 CA VAL A 89 22.674 4.547 -6.718 1.00 0.00 C ATOM 1405 C VAL A 89 23.757 3.845 -7.551 1.00 0.00 C ATOM 1406 O VAL A 89 23.572 3.566 -8.741 1.00 0.00 O ATOM 1407 CB VAL A 89 21.839 3.623 -5.789 1.00 0.00 C ATOM 1408 CG1 VAL A 89 22.689 2.792 -4.817 1.00 0.00 C ATOM 1409 CG2 VAL A 89 20.831 4.437 -4.961 1.00 0.00 C ATOM 0 H VAL A 89 21.465 4.601 -8.407 1.00 0.00 H new ATOM 0 HA VAL A 89 23.199 5.233 -6.053 1.00 0.00 H new ATOM 0 HB VAL A 89 21.327 2.937 -6.464 1.00 0.00 H new ATOM 0 HG11 VAL A 89 22.037 2.172 -4.202 1.00 0.00 H new ATOM 0 HG12 VAL A 89 23.369 2.154 -5.382 1.00 0.00 H new ATOM 0 HG13 VAL A 89 23.266 3.459 -4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 89 20.260 3.765 -4.320 1.00 0.00 H new ATOM 0 HG22 VAL A 89 21.366 5.160 -4.345 1.00 0.00 H new ATOM 0 HG23 VAL A 89 20.151 4.964 -5.631 1.00 0.00 H new