USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 506 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: C 50 THR OG1 : rot 180:sc= 0.0863 USER MOD Set 1.2: C 52 GLN : amide:sc= 0 X(o=0.086,f=0.086) USER MOD Set 2.1: C 46 HIS :FLIP no HE2:sc= -4.86! C(o=-8.1!,f=-4.8!) USER MOD Set 2.2: C 53 THR OG1 : rot -43:sc= 0.104 USER MOD Set 3.1: C 20 THR OG1 : rot -103:sc= 0.835 USER MOD Set 3.2: C 22 THR OG1 : rot 180:sc= 0.732 USER MOD Set 4.1: C 16 TYR OH : rot 180:sc= 0.111 USER MOD Set 4.2: C 18 SER OG : rot 107:sc= -0.292 USER MOD Single : C 9 THR OG1 : rot 33:sc= 0.0686 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 25 SER OG : rot 81:sc= 0.139 USER MOD Single : C 27 LYS NZ :NH3+ -122:sc= -0.408 (180deg=-1.74!) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 33 GLN : amide:sc= -0.569 K(o=-0.57,f=-1.3) USER MOD Single : C 36 ASN : amide:sc= -0.519 K(o=-0.52,f=-3.7!) USER MOD Single : C 37 ASN : amide:sc= -2.22! C(o=-2.2!,f=-3.5!) USER MOD Single : C 38 THR OG1 : rot -14:sc= 0.271! USER MOD Single : C 47 SER OG : rot 180:sc= 0 USER MOD Single : C 49 THR OG1 : rot 31:sc= 1.25 USER MOD Single : C 55 TYR OH : rot 180:sc= 0 USER MOD Single : C 58 SER OG : rot 160:sc= -0.0175 USER MOD Single : C 59 ASN : amide:sc= -9.32! C(o=-9.3!,f=-17!) USER MOD Single : C 60 TYR OH : rot -7:sc= -1.49! USER MOD Single : C 64 SER OG : rot 32:sc= 0.0701 USER MOD Single : R 79 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 6.068 3.819 -25.036 1.00 0.00 N ATOM 2 CA THR C 9 4.676 4.190 -24.651 1.00 0.00 C ATOM 3 C THR C 9 4.073 3.076 -23.793 1.00 0.00 C ATOM 4 O THR C 9 3.534 2.111 -24.298 1.00 0.00 O ATOM 5 CB THR C 9 3.833 4.377 -25.914 1.00 0.00 C ATOM 6 OG1 THR C 9 4.374 5.437 -26.689 1.00 0.00 O ATOM 7 CG2 THR C 9 2.392 4.712 -25.524 1.00 0.00 C ATOM 0 HA THR C 9 4.689 5.120 -24.082 1.00 0.00 H new ATOM 0 HB THR C 9 3.844 3.457 -26.498 1.00 0.00 H new ATOM 0 HG1 THR C 9 5.348 5.455 -26.583 1.00 0.00 H new ATOM 0 HG21 THR C 9 1.793 4.845 -26.425 1.00 0.00 H new ATOM 0 HG22 THR C 9 1.977 3.898 -24.929 1.00 0.00 H new ATOM 0 HG23 THR C 9 2.378 5.632 -24.940 1.00 0.00 H new ATOM 14 N PHE C 10 4.161 3.200 -22.496 1.00 0.00 N ATOM 15 CA PHE C 10 3.592 2.148 -21.605 1.00 0.00 C ATOM 16 C PHE C 10 2.150 2.510 -21.243 1.00 0.00 C ATOM 17 O PHE C 10 1.621 3.511 -21.685 1.00 0.00 O ATOM 18 CB PHE C 10 4.432 2.053 -20.330 1.00 0.00 C ATOM 19 CG PHE C 10 5.502 0.968 -20.497 1.00 0.00 C ATOM 20 CD1 PHE C 10 5.889 0.551 -21.757 1.00 0.00 C ATOM 21 CD2 PHE C 10 6.095 0.395 -19.387 1.00 0.00 C ATOM 22 CE1 PHE C 10 6.854 -0.425 -21.904 1.00 0.00 C ATOM 23 CE2 PHE C 10 7.059 -0.580 -19.535 1.00 0.00 C ATOM 24 CZ PHE C 10 7.439 -0.990 -20.793 1.00 0.00 C ATOM 0 H PHE C 10 4.602 3.984 -22.015 1.00 0.00 H new ATOM 0 HA PHE C 10 3.605 1.188 -22.121 1.00 0.00 H new ATOM 0 HB2 PHE C 10 4.903 3.013 -20.121 1.00 0.00 H new ATOM 0 HB3 PHE C 10 3.793 1.819 -19.478 1.00 0.00 H new ATOM 0 HD1 PHE C 10 5.434 0.992 -22.632 1.00 0.00 H new ATOM 0 HD2 PHE C 10 5.801 0.713 -18.398 1.00 0.00 H new ATOM 0 HE1 PHE C 10 7.151 -0.746 -22.892 1.00 0.00 H new ATOM 0 HE2 PHE C 10 7.517 -1.023 -18.663 1.00 0.00 H new ATOM 0 HZ PHE C 10 8.194 -1.753 -20.908 1.00 0.00 H new ATOM 34 N VAL C 11 1.513 1.706 -20.436 1.00 0.00 N ATOM 35 CA VAL C 11 0.105 2.003 -20.043 1.00 0.00 C ATOM 36 C VAL C 11 -0.038 1.871 -18.526 1.00 0.00 C ATOM 37 O VAL C 11 -0.045 0.782 -17.986 1.00 0.00 O ATOM 38 CB VAL C 11 -0.836 1.014 -20.734 1.00 0.00 C ATOM 39 CG1 VAL C 11 -2.232 1.120 -20.118 1.00 0.00 C ATOM 40 CG2 VAL C 11 -0.912 1.342 -22.228 1.00 0.00 C ATOM 0 H VAL C 11 1.906 0.856 -20.032 1.00 0.00 H new ATOM 0 HA VAL C 11 -0.152 3.019 -20.345 1.00 0.00 H new ATOM 0 HB VAL C 11 -0.457 0.000 -20.602 1.00 0.00 H new ATOM 0 HG11 VAL C 11 -2.902 0.415 -20.611 1.00 0.00 H new ATOM 0 HG12 VAL C 11 -2.179 0.887 -19.054 1.00 0.00 H new ATOM 0 HG13 VAL C 11 -2.612 2.133 -20.249 1.00 0.00 H new ATOM 0 HG21 VAL C 11 -1.582 0.638 -22.721 1.00 0.00 H new ATOM 0 HG22 VAL C 11 -1.290 2.356 -22.359 1.00 0.00 H new ATOM 0 HG23 VAL C 11 0.082 1.266 -22.668 1.00 0.00 H new ATOM 50 N ALA C 12 -0.154 2.970 -17.832 1.00 0.00 N ATOM 51 CA ALA C 12 -0.296 2.906 -16.350 1.00 0.00 C ATOM 52 C ALA C 12 -1.350 1.862 -15.978 1.00 0.00 C ATOM 53 O ALA C 12 -2.019 1.309 -16.828 1.00 0.00 O ATOM 54 CB ALA C 12 -0.728 4.275 -15.820 1.00 0.00 C ATOM 0 H ALA C 12 -0.157 3.910 -18.228 1.00 0.00 H new ATOM 0 HA ALA C 12 0.661 2.628 -15.908 1.00 0.00 H new ATOM 0 HB1 ALA C 12 -0.832 4.229 -14.736 1.00 0.00 H new ATOM 0 HB2 ALA C 12 0.024 5.020 -16.081 1.00 0.00 H new ATOM 0 HB3 ALA C 12 -1.684 4.552 -16.265 1.00 0.00 H new ATOM 60 N LEU C 13 -1.502 1.587 -14.710 1.00 0.00 N ATOM 61 CA LEU C 13 -2.511 0.580 -14.275 1.00 0.00 C ATOM 62 C LEU C 13 -3.063 0.974 -12.909 1.00 0.00 C ATOM 63 O LEU C 13 -4.254 1.135 -12.730 1.00 0.00 O ATOM 64 CB LEU C 13 -1.856 -0.798 -14.156 1.00 0.00 C ATOM 65 CG LEU C 13 -1.235 -1.197 -15.494 1.00 0.00 C ATOM 66 CD1 LEU C 13 -0.417 -2.476 -15.306 1.00 0.00 C ATOM 67 CD2 LEU C 13 -2.346 -1.449 -16.516 1.00 0.00 C ATOM 0 H LEU C 13 -0.969 2.018 -13.955 1.00 0.00 H new ATOM 0 HA LEU C 13 -3.314 0.544 -15.011 1.00 0.00 H new ATOM 0 HB2 LEU C 13 -1.090 -0.780 -13.381 1.00 0.00 H new ATOM 0 HB3 LEU C 13 -2.598 -1.538 -13.855 1.00 0.00 H new ATOM 0 HG LEU C 13 -0.588 -0.396 -15.852 1.00 0.00 H new ATOM 0 HD11 LEU C 13 0.029 -2.766 -16.257 1.00 0.00 H new ATOM 0 HD12 LEU C 13 0.372 -2.299 -14.575 1.00 0.00 H new ATOM 0 HD13 LEU C 13 -1.068 -3.275 -14.952 1.00 0.00 H new ATOM 0 HD21 LEU C 13 -1.904 -1.734 -17.471 1.00 0.00 H new ATOM 0 HD22 LEU C 13 -2.992 -2.252 -16.161 1.00 0.00 H new ATOM 0 HD23 LEU C 13 -2.935 -0.541 -16.645 1.00 0.00 H new ATOM 79 N TYR C 14 -2.204 1.129 -11.941 1.00 0.00 N ATOM 80 CA TYR C 14 -2.676 1.509 -10.583 1.00 0.00 C ATOM 81 C TYR C 14 -2.477 3.011 -10.375 1.00 0.00 C ATOM 82 O TYR C 14 -1.382 3.526 -10.488 1.00 0.00 O ATOM 83 CB TYR C 14 -1.886 0.727 -9.526 1.00 0.00 C ATOM 84 CG TYR C 14 -1.637 -0.707 -10.013 1.00 0.00 C ATOM 85 CD1 TYR C 14 -2.454 -1.282 -10.967 1.00 0.00 C ATOM 86 CD2 TYR C 14 -0.578 -1.440 -9.517 1.00 0.00 C ATOM 87 CE1 TYR C 14 -2.213 -2.562 -11.421 1.00 0.00 C ATOM 88 CE2 TYR C 14 -0.339 -2.722 -9.969 1.00 0.00 C ATOM 89 CZ TYR C 14 -1.155 -3.292 -10.924 1.00 0.00 C ATOM 90 OH TYR C 14 -0.915 -4.574 -11.377 1.00 0.00 O ATOM 0 H TYR C 14 -1.195 1.009 -12.033 1.00 0.00 H new ATOM 0 HA TYR C 14 -3.735 1.270 -10.486 1.00 0.00 H new ATOM 0 HB2 TYR C 14 -0.936 1.223 -9.329 1.00 0.00 H new ATOM 0 HB3 TYR C 14 -2.438 0.710 -8.586 1.00 0.00 H new ATOM 0 HD1 TYR C 14 -3.290 -0.724 -11.361 1.00 0.00 H new ATOM 0 HD2 TYR C 14 0.069 -1.007 -8.769 1.00 0.00 H new ATOM 0 HE1 TYR C 14 -2.858 -2.995 -12.171 1.00 0.00 H new ATOM 0 HE2 TYR C 14 0.494 -3.283 -9.572 1.00 0.00 H new ATOM 0 HH TYR C 14 -0.129 -4.941 -10.920 1.00 0.00 H new ATOM 100 N ASP C 15 -3.531 3.717 -10.072 1.00 0.00 N ATOM 101 CA ASP C 15 -3.415 5.185 -9.856 1.00 0.00 C ATOM 102 C ASP C 15 -2.225 5.481 -8.942 1.00 0.00 C ATOM 103 O ASP C 15 -2.242 5.176 -7.765 1.00 0.00 O ATOM 104 CB ASP C 15 -4.698 5.704 -9.203 1.00 0.00 C ATOM 105 CG ASP C 15 -4.528 7.181 -8.844 1.00 0.00 C ATOM 106 OD1 ASP C 15 -4.465 7.988 -9.758 1.00 0.00 O ATOM 107 OD2 ASP C 15 -4.463 7.481 -7.663 1.00 0.00 O ATOM 0 H ASP C 15 -4.472 3.338 -9.964 1.00 0.00 H new ATOM 0 HA ASP C 15 -3.264 5.680 -10.815 1.00 0.00 H new ATOM 0 HB2 ASP C 15 -5.541 5.579 -9.883 1.00 0.00 H new ATOM 0 HB3 ASP C 15 -4.922 5.125 -8.307 1.00 0.00 H new ATOM 112 N TYR C 16 -1.189 6.073 -9.472 1.00 0.00 N ATOM 113 CA TYR C 16 -0.001 6.387 -8.629 1.00 0.00 C ATOM 114 C TYR C 16 -0.202 7.752 -7.970 1.00 0.00 C ATOM 115 O TYR C 16 -0.195 8.775 -8.626 1.00 0.00 O ATOM 116 CB TYR C 16 1.256 6.420 -9.500 1.00 0.00 C ATOM 117 CG TYR C 16 2.480 6.724 -8.630 1.00 0.00 C ATOM 118 CD1 TYR C 16 2.450 6.498 -7.268 1.00 0.00 C ATOM 119 CD2 TYR C 16 3.632 7.231 -9.197 1.00 0.00 C ATOM 120 CE1 TYR C 16 3.554 6.775 -6.487 1.00 0.00 C ATOM 121 CE2 TYR C 16 4.735 7.508 -8.415 1.00 0.00 C ATOM 122 CZ TYR C 16 4.704 7.282 -7.055 1.00 0.00 C ATOM 123 OH TYR C 16 5.807 7.560 -6.273 1.00 0.00 O ATOM 0 H TYR C 16 -1.114 6.352 -10.450 1.00 0.00 H new ATOM 0 HA TYR C 16 0.115 5.621 -7.862 1.00 0.00 H new ATOM 0 HB2 TYR C 16 1.385 5.463 -10.005 1.00 0.00 H new ATOM 0 HB3 TYR C 16 1.152 7.178 -10.276 1.00 0.00 H new ATOM 0 HD1 TYR C 16 1.556 6.101 -6.810 1.00 0.00 H new ATOM 0 HD2 TYR C 16 3.670 7.412 -10.261 1.00 0.00 H new ATOM 0 HE1 TYR C 16 3.517 6.593 -5.423 1.00 0.00 H new ATOM 0 HE2 TYR C 16 5.630 7.905 -8.872 1.00 0.00 H new ATOM 0 HH TYR C 16 6.528 7.910 -6.837 1.00 0.00 H new ATOM 133 N GLU C 17 -0.383 7.774 -6.678 1.00 0.00 N ATOM 134 CA GLU C 17 -0.585 9.072 -5.974 1.00 0.00 C ATOM 135 C GLU C 17 0.631 9.370 -5.095 1.00 0.00 C ATOM 136 O GLU C 17 0.588 9.219 -3.890 1.00 0.00 O ATOM 137 CB GLU C 17 -1.838 8.987 -5.101 1.00 0.00 C ATOM 138 CG GLU C 17 -1.981 7.566 -4.554 1.00 0.00 C ATOM 139 CD GLU C 17 -3.214 7.486 -3.651 1.00 0.00 C ATOM 140 OE1 GLU C 17 -3.856 8.508 -3.467 1.00 0.00 O ATOM 141 OE2 GLU C 17 -3.495 6.406 -3.159 1.00 0.00 O ATOM 0 H GLU C 17 -0.400 6.949 -6.079 1.00 0.00 H new ATOM 0 HA GLU C 17 -0.706 9.869 -6.707 1.00 0.00 H new ATOM 0 HB2 GLU C 17 -1.771 9.700 -4.279 1.00 0.00 H new ATOM 0 HB3 GLU C 17 -2.719 9.255 -5.684 1.00 0.00 H new ATOM 0 HG2 GLU C 17 -2.073 6.856 -5.376 1.00 0.00 H new ATOM 0 HG3 GLU C 17 -1.088 7.290 -3.993 1.00 0.00 H new ATOM 148 N SER C 18 1.715 9.790 -5.687 1.00 0.00 N ATOM 149 CA SER C 18 2.931 10.097 -4.884 1.00 0.00 C ATOM 150 C SER C 18 2.696 11.369 -4.067 1.00 0.00 C ATOM 151 O SER C 18 1.770 12.117 -4.315 1.00 0.00 O ATOM 152 CB SER C 18 4.119 10.308 -5.824 1.00 0.00 C ATOM 153 OG SER C 18 5.321 10.339 -5.068 1.00 0.00 O ATOM 0 H SER C 18 1.811 9.934 -6.692 1.00 0.00 H new ATOM 0 HA SER C 18 3.141 9.267 -4.210 1.00 0.00 H new ATOM 0 HB2 SER C 18 4.161 9.506 -6.561 1.00 0.00 H new ATOM 0 HB3 SER C 18 3.999 11.241 -6.375 1.00 0.00 H new ATOM 0 HG SER C 18 5.818 9.507 -5.210 1.00 0.00 H new ATOM 159 N ARG C 19 3.525 11.620 -3.091 1.00 0.00 N ATOM 160 CA ARG C 19 3.350 12.844 -2.258 1.00 0.00 C ATOM 161 C ARG C 19 4.623 13.691 -2.325 1.00 0.00 C ATOM 162 O ARG C 19 4.651 14.823 -1.885 1.00 0.00 O ATOM 163 CB ARG C 19 3.086 12.441 -0.807 1.00 0.00 C ATOM 164 CG ARG C 19 1.896 11.481 -0.750 1.00 0.00 C ATOM 165 CD ARG C 19 2.087 10.501 0.410 1.00 0.00 C ATOM 166 NE ARG C 19 2.468 9.164 -0.126 1.00 0.00 N ATOM 167 CZ ARG C 19 2.553 8.136 0.676 1.00 0.00 C ATOM 168 NH1 ARG C 19 2.307 8.276 1.951 1.00 0.00 N ATOM 169 NH2 ARG C 19 2.886 6.966 0.203 1.00 0.00 N ATOM 0 H ARG C 19 4.316 11.030 -2.834 1.00 0.00 H new ATOM 0 HA ARG C 19 2.506 13.421 -2.635 1.00 0.00 H new ATOM 0 HB2 ARG C 19 3.971 11.965 -0.384 1.00 0.00 H new ATOM 0 HB3 ARG C 19 2.882 13.326 -0.204 1.00 0.00 H new ATOM 0 HG2 ARG C 19 0.970 12.040 -0.619 1.00 0.00 H new ATOM 0 HG3 ARG C 19 1.809 10.936 -1.690 1.00 0.00 H new ATOM 0 HD2 ARG C 19 2.860 10.867 1.086 1.00 0.00 H new ATOM 0 HD3 ARG C 19 1.167 10.423 0.990 1.00 0.00 H new ATOM 0 HE ARG C 19 2.663 9.051 -1.121 1.00 0.00 H new ATOM 0 HH11 ARG C 19 2.048 9.190 2.323 1.00 0.00 H new ATOM 0 HH12 ARG C 19 2.374 7.472 2.575 1.00 0.00 H new ATOM 0 HH21 ARG C 19 3.080 6.855 -0.792 1.00 0.00 H new ATOM 0 HH22 ARG C 19 2.953 6.163 0.829 1.00 0.00 H new ATOM 183 N THR C 20 5.677 13.150 -2.872 1.00 0.00 N ATOM 184 CA THR C 20 6.947 13.924 -2.967 1.00 0.00 C ATOM 185 C THR C 20 6.969 14.717 -4.275 1.00 0.00 C ATOM 186 O THR C 20 6.332 14.353 -5.243 1.00 0.00 O ATOM 187 CB THR C 20 8.135 12.958 -2.935 1.00 0.00 C ATOM 188 OG1 THR C 20 9.344 13.701 -2.897 1.00 0.00 O ATOM 189 CG2 THR C 20 8.112 12.079 -4.186 1.00 0.00 C ATOM 0 H THR C 20 5.714 12.206 -3.257 1.00 0.00 H new ATOM 0 HA THR C 20 7.015 14.614 -2.126 1.00 0.00 H new ATOM 0 HB THR C 20 8.069 12.326 -2.049 1.00 0.00 H new ATOM 0 HG1 THR C 20 9.758 13.698 -3.785 1.00 0.00 H new ATOM 0 HG21 THR C 20 8.958 11.392 -4.163 1.00 0.00 H new ATOM 0 HG22 THR C 20 7.183 11.510 -4.214 1.00 0.00 H new ATOM 0 HG23 THR C 20 8.179 12.708 -5.074 1.00 0.00 H new ATOM 197 N GLU C 21 7.697 15.799 -4.310 1.00 0.00 N ATOM 198 CA GLU C 21 7.763 16.616 -5.550 1.00 0.00 C ATOM 199 C GLU C 21 8.865 16.072 -6.460 1.00 0.00 C ATOM 200 O GLU C 21 9.789 16.775 -6.821 1.00 0.00 O ATOM 201 CB GLU C 21 8.074 18.068 -5.185 1.00 0.00 C ATOM 202 CG GLU C 21 9.161 18.107 -4.111 1.00 0.00 C ATOM 203 CD GLU C 21 9.956 19.409 -4.235 1.00 0.00 C ATOM 204 OE1 GLU C 21 10.791 19.488 -5.121 1.00 0.00 O ATOM 205 OE2 GLU C 21 9.714 20.305 -3.443 1.00 0.00 O ATOM 0 H GLU C 21 8.250 16.152 -3.529 1.00 0.00 H new ATOM 0 HA GLU C 21 6.806 16.568 -6.070 1.00 0.00 H new ATOM 0 HB2 GLU C 21 8.403 18.613 -6.070 1.00 0.00 H new ATOM 0 HB3 GLU C 21 7.173 18.563 -4.823 1.00 0.00 H new ATOM 0 HG2 GLU C 21 8.711 18.036 -3.121 1.00 0.00 H new ATOM 0 HG3 GLU C 21 9.826 17.251 -4.221 1.00 0.00 H new ATOM 212 N THR C 22 8.780 14.825 -6.831 1.00 0.00 N ATOM 213 CA THR C 22 9.823 14.238 -7.716 1.00 0.00 C ATOM 214 C THR C 22 9.167 13.271 -8.702 1.00 0.00 C ATOM 215 O THR C 22 9.069 13.544 -9.883 1.00 0.00 O ATOM 216 CB THR C 22 10.849 13.483 -6.867 1.00 0.00 C ATOM 217 OG1 THR C 22 10.587 13.719 -5.490 1.00 0.00 O ATOM 218 CG2 THR C 22 12.256 13.969 -7.213 1.00 0.00 C ATOM 0 H THR C 22 8.032 14.187 -6.559 1.00 0.00 H new ATOM 0 HA THR C 22 10.324 15.035 -8.266 1.00 0.00 H new ATOM 0 HB THR C 22 10.777 12.415 -7.072 1.00 0.00 H new ATOM 0 HG1 THR C 22 11.242 13.235 -4.945 1.00 0.00 H new ATOM 0 HG21 THR C 22 12.986 13.431 -6.608 1.00 0.00 H new ATOM 0 HG22 THR C 22 12.455 13.786 -8.269 1.00 0.00 H new ATOM 0 HG23 THR C 22 12.332 15.037 -7.009 1.00 0.00 H new ATOM 226 N ASP C 23 8.718 12.140 -8.230 1.00 0.00 N ATOM 227 CA ASP C 23 8.068 11.158 -9.142 1.00 0.00 C ATOM 228 C ASP C 23 6.754 11.743 -9.665 1.00 0.00 C ATOM 229 O ASP C 23 6.069 12.470 -8.974 1.00 0.00 O ATOM 230 CB ASP C 23 7.783 9.864 -8.379 1.00 0.00 C ATOM 231 CG ASP C 23 8.953 9.554 -7.444 1.00 0.00 C ATOM 232 OD1 ASP C 23 9.959 9.063 -7.928 1.00 0.00 O ATOM 233 OD2 ASP C 23 8.824 9.815 -6.260 1.00 0.00 O ATOM 0 H ASP C 23 8.773 11.854 -7.252 1.00 0.00 H new ATOM 0 HA ASP C 23 8.731 10.945 -9.981 1.00 0.00 H new ATOM 0 HB2 ASP C 23 6.862 9.963 -7.805 1.00 0.00 H new ATOM 0 HB3 ASP C 23 7.635 9.042 -9.079 1.00 0.00 H new ATOM 238 N LEU C 24 6.401 11.435 -10.881 1.00 0.00 N ATOM 239 CA LEU C 24 5.134 11.972 -11.449 1.00 0.00 C ATOM 240 C LEU C 24 3.984 11.006 -11.160 1.00 0.00 C ATOM 241 O LEU C 24 4.043 9.838 -11.495 1.00 0.00 O ATOM 242 CB LEU C 24 5.286 12.140 -12.961 1.00 0.00 C ATOM 243 CG LEU C 24 5.849 13.529 -13.266 1.00 0.00 C ATOM 244 CD1 LEU C 24 5.995 13.698 -14.779 1.00 0.00 C ATOM 245 CD2 LEU C 24 4.898 14.596 -12.722 1.00 0.00 C ATOM 0 H LEU C 24 6.936 10.833 -11.507 1.00 0.00 H new ATOM 0 HA LEU C 24 4.917 12.937 -10.991 1.00 0.00 H new ATOM 0 HB2 LEU C 24 5.950 11.372 -13.358 1.00 0.00 H new ATOM 0 HB3 LEU C 24 4.321 12.012 -13.451 1.00 0.00 H new ATOM 0 HG LEU C 24 6.825 13.638 -12.792 1.00 0.00 H new ATOM 0 HD11 LEU C 24 6.396 14.688 -14.998 1.00 0.00 H new ATOM 0 HD12 LEU C 24 6.673 12.938 -15.166 1.00 0.00 H new ATOM 0 HD13 LEU C 24 5.020 13.589 -15.253 1.00 0.00 H new ATOM 0 HD21 LEU C 24 5.299 15.586 -12.939 1.00 0.00 H new ATOM 0 HD22 LEU C 24 3.922 14.488 -13.195 1.00 0.00 H new ATOM 0 HD23 LEU C 24 4.794 14.475 -11.644 1.00 0.00 H new ATOM 257 N SER C 25 2.937 11.480 -10.544 1.00 0.00 N ATOM 258 CA SER C 25 1.785 10.586 -10.237 1.00 0.00 C ATOM 259 C SER C 25 0.924 10.437 -11.493 1.00 0.00 C ATOM 260 O SER C 25 0.913 11.296 -12.352 1.00 0.00 O ATOM 261 CB SER C 25 0.948 11.196 -9.110 1.00 0.00 C ATOM 262 OG SER C 25 1.525 12.426 -8.703 1.00 0.00 O ATOM 0 H SER C 25 2.829 12.448 -10.240 1.00 0.00 H new ATOM 0 HA SER C 25 2.150 9.609 -9.922 1.00 0.00 H new ATOM 0 HB2 SER C 25 -0.075 11.357 -9.449 1.00 0.00 H new ATOM 0 HB3 SER C 25 0.899 10.508 -8.266 1.00 0.00 H new ATOM 0 HG SER C 25 1.257 13.135 -9.324 1.00 0.00 H new ATOM 268 N PHE C 26 0.201 9.356 -11.613 1.00 0.00 N ATOM 269 CA PHE C 26 -0.651 9.171 -12.822 1.00 0.00 C ATOM 270 C PHE C 26 -1.908 8.378 -12.454 1.00 0.00 C ATOM 271 O PHE C 26 -2.100 7.992 -11.319 1.00 0.00 O ATOM 272 CB PHE C 26 0.136 8.416 -13.897 1.00 0.00 C ATOM 273 CG PHE C 26 0.850 7.218 -13.270 1.00 0.00 C ATOM 274 CD1 PHE C 26 0.209 5.997 -13.175 1.00 0.00 C ATOM 275 CD2 PHE C 26 2.146 7.338 -12.797 1.00 0.00 C ATOM 276 CE1 PHE C 26 0.853 4.912 -12.616 1.00 0.00 C ATOM 277 CE2 PHE C 26 2.787 6.253 -12.239 1.00 0.00 C ATOM 278 CZ PHE C 26 2.142 5.040 -12.148 1.00 0.00 C ATOM 0 H PHE C 26 0.164 8.598 -10.931 1.00 0.00 H new ATOM 0 HA PHE C 26 -0.942 10.148 -13.207 1.00 0.00 H new ATOM 0 HB2 PHE C 26 -0.538 8.078 -14.684 1.00 0.00 H new ATOM 0 HB3 PHE C 26 0.863 9.081 -14.363 1.00 0.00 H new ATOM 0 HD1 PHE C 26 -0.802 5.892 -13.540 1.00 0.00 H new ATOM 0 HD2 PHE C 26 2.657 8.287 -12.866 1.00 0.00 H new ATOM 0 HE1 PHE C 26 0.346 3.961 -12.545 1.00 0.00 H new ATOM 0 HE2 PHE C 26 3.798 6.355 -11.872 1.00 0.00 H new ATOM 0 HZ PHE C 26 2.646 4.191 -11.711 1.00 0.00 H new ATOM 288 N LYS C 27 -2.763 8.132 -13.410 1.00 0.00 N ATOM 289 CA LYS C 27 -4.008 7.365 -13.119 1.00 0.00 C ATOM 290 C LYS C 27 -4.054 6.104 -13.985 1.00 0.00 C ATOM 291 O LYS C 27 -3.100 5.764 -14.656 1.00 0.00 O ATOM 292 CB LYS C 27 -5.225 8.238 -13.430 1.00 0.00 C ATOM 293 CG LYS C 27 -6.129 8.312 -12.199 1.00 0.00 C ATOM 294 CD LYS C 27 -7.520 8.798 -12.616 1.00 0.00 C ATOM 295 CE LYS C 27 -7.382 10.036 -13.506 1.00 0.00 C ATOM 296 NZ LYS C 27 -7.488 9.634 -14.937 1.00 0.00 N ATOM 0 H LYS C 27 -2.653 8.429 -14.380 1.00 0.00 H new ATOM 0 HA LYS C 27 -4.018 7.080 -12.067 1.00 0.00 H new ATOM 0 HB2 LYS C 27 -4.904 9.239 -13.719 1.00 0.00 H new ATOM 0 HB3 LYS C 27 -5.776 7.824 -14.274 1.00 0.00 H new ATOM 0 HG2 LYS C 27 -6.201 7.332 -11.728 1.00 0.00 H new ATOM 0 HG3 LYS C 27 -5.701 8.990 -11.461 1.00 0.00 H new ATOM 0 HD2 LYS C 27 -8.047 8.009 -13.152 1.00 0.00 H new ATOM 0 HD3 LYS C 27 -8.114 9.036 -11.733 1.00 0.00 H new ATOM 0 HE2 LYS C 27 -8.159 10.761 -13.262 1.00 0.00 H new ATOM 0 HE3 LYS C 27 -6.424 10.523 -13.324 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 -6.627 9.923 -15.443 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 -7.597 8.602 -15.000 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 -8.314 10.097 -15.367 1.00 0.00 H new ATOM 310 N LYS C 28 -5.158 5.409 -13.975 1.00 0.00 N ATOM 311 CA LYS C 28 -5.270 4.169 -14.795 1.00 0.00 C ATOM 312 C LYS C 28 -5.724 4.532 -16.211 1.00 0.00 C ATOM 313 O LYS C 28 -6.494 5.451 -16.411 1.00 0.00 O ATOM 314 CB LYS C 28 -6.292 3.225 -14.159 1.00 0.00 C ATOM 315 CG LYS C 28 -6.625 2.095 -15.137 1.00 0.00 C ATOM 316 CD LYS C 28 -6.566 0.752 -14.406 1.00 0.00 C ATOM 317 CE LYS C 28 -7.470 -0.256 -15.120 1.00 0.00 C ATOM 318 NZ LYS C 28 -6.629 -1.271 -15.815 1.00 0.00 N ATOM 0 H LYS C 28 -5.989 5.647 -13.433 1.00 0.00 H new ATOM 0 HA LYS C 28 -4.299 3.676 -14.839 1.00 0.00 H new ATOM 0 HB2 LYS C 28 -5.893 2.812 -13.232 1.00 0.00 H new ATOM 0 HB3 LYS C 28 -7.197 3.774 -13.900 1.00 0.00 H new ATOM 0 HG2 LYS C 28 -7.618 2.247 -15.560 1.00 0.00 H new ATOM 0 HG3 LYS C 28 -5.920 2.100 -15.968 1.00 0.00 H new ATOM 0 HD2 LYS C 28 -5.540 0.384 -14.381 1.00 0.00 H new ATOM 0 HD3 LYS C 28 -6.886 0.874 -13.371 1.00 0.00 H new ATOM 0 HE2 LYS C 28 -8.128 -0.744 -14.401 1.00 0.00 H new ATOM 0 HE3 LYS C 28 -8.108 0.257 -15.839 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 -7.242 -1.956 -16.300 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 -6.019 -0.798 -16.512 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 -6.038 -1.768 -15.118 1.00 0.00 H new ATOM 332 N GLY C 29 -5.253 3.817 -17.197 1.00 0.00 N ATOM 333 CA GLY C 29 -5.655 4.120 -18.599 1.00 0.00 C ATOM 334 C GLY C 29 -4.848 5.312 -19.120 1.00 0.00 C ATOM 335 O GLY C 29 -4.988 5.717 -20.257 1.00 0.00 O ATOM 0 H GLY C 29 -4.606 3.035 -17.091 1.00 0.00 H new ATOM 0 HA2 GLY C 29 -5.486 3.249 -19.232 1.00 0.00 H new ATOM 0 HA3 GLY C 29 -6.721 4.343 -18.642 1.00 0.00 H new ATOM 339 N GLU C 30 -4.006 5.877 -18.300 1.00 0.00 N ATOM 340 CA GLU C 30 -3.193 7.041 -18.751 1.00 0.00 C ATOM 341 C GLU C 30 -1.881 6.546 -19.362 1.00 0.00 C ATOM 342 O GLU C 30 -1.082 5.907 -18.706 1.00 0.00 O ATOM 343 CB GLU C 30 -2.890 7.943 -17.554 1.00 0.00 C ATOM 344 CG GLU C 30 -1.938 9.059 -17.987 1.00 0.00 C ATOM 345 CD GLU C 30 -2.622 10.415 -17.796 1.00 0.00 C ATOM 346 OE1 GLU C 30 -3.427 10.526 -16.886 1.00 0.00 O ATOM 347 OE2 GLU C 30 -2.328 11.317 -18.562 1.00 0.00 O ATOM 0 H GLU C 30 -3.846 5.583 -17.337 1.00 0.00 H new ATOM 0 HA GLU C 30 -3.750 7.603 -19.500 1.00 0.00 H new ATOM 0 HB2 GLU C 30 -3.814 8.369 -17.163 1.00 0.00 H new ATOM 0 HB3 GLU C 30 -2.442 7.360 -16.749 1.00 0.00 H new ATOM 0 HG2 GLU C 30 -1.020 9.017 -17.401 1.00 0.00 H new ATOM 0 HG3 GLU C 30 -1.655 8.926 -19.031 1.00 0.00 H new ATOM 354 N ARG C 31 -1.652 6.835 -20.615 1.00 0.00 N ATOM 355 CA ARG C 31 -0.391 6.380 -21.265 1.00 0.00 C ATOM 356 C ARG C 31 0.785 7.187 -20.710 1.00 0.00 C ATOM 357 O ARG C 31 0.659 8.358 -20.414 1.00 0.00 O ATOM 358 CB ARG C 31 -0.488 6.597 -22.778 1.00 0.00 C ATOM 359 CG ARG C 31 -1.240 5.426 -23.414 1.00 0.00 C ATOM 360 CD ARG C 31 -1.987 5.915 -24.656 1.00 0.00 C ATOM 361 NE ARG C 31 -3.185 5.059 -24.885 1.00 0.00 N ATOM 362 CZ ARG C 31 -3.053 3.873 -25.416 1.00 0.00 C ATOM 363 NH1 ARG C 31 -1.871 3.430 -25.750 1.00 0.00 N ATOM 364 NH2 ARG C 31 -4.105 3.127 -25.613 1.00 0.00 N ATOM 0 H ARG C 31 -2.283 7.366 -21.215 1.00 0.00 H new ATOM 0 HA ARG C 31 -0.237 5.321 -21.060 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -1.005 7.533 -22.990 1.00 0.00 H new ATOM 0 HB3 ARG C 31 0.510 6.680 -23.209 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -0.541 4.635 -23.685 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -1.943 4.999 -22.698 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -2.289 6.954 -24.526 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -1.330 5.880 -25.525 1.00 0.00 H new ATOM 0 HE ARG C 31 -4.111 5.400 -24.626 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -1.047 4.011 -25.596 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -1.772 2.503 -26.164 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -5.030 3.470 -25.352 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -4.003 2.201 -26.028 1.00 0.00 H new ATOM 378 N LEU C 32 1.925 6.572 -20.564 1.00 0.00 N ATOM 379 CA LEU C 32 3.104 7.309 -20.027 1.00 0.00 C ATOM 380 C LEU C 32 4.321 7.048 -20.917 1.00 0.00 C ATOM 381 O LEU C 32 4.840 5.951 -20.970 1.00 0.00 O ATOM 382 CB LEU C 32 3.405 6.826 -18.606 1.00 0.00 C ATOM 383 CG LEU C 32 2.486 7.546 -17.616 1.00 0.00 C ATOM 384 CD1 LEU C 32 1.611 6.518 -16.895 1.00 0.00 C ATOM 385 CD2 LEU C 32 3.334 8.300 -16.589 1.00 0.00 C ATOM 0 H LEU C 32 2.092 5.592 -20.793 1.00 0.00 H new ATOM 0 HA LEU C 32 2.885 8.377 -20.012 1.00 0.00 H new ATOM 0 HB2 LEU C 32 3.257 5.748 -18.538 1.00 0.00 H new ATOM 0 HB3 LEU C 32 4.448 7.021 -18.358 1.00 0.00 H new ATOM 0 HG LEU C 32 1.853 8.252 -18.154 1.00 0.00 H new ATOM 0 HD11 LEU C 32 0.956 7.029 -16.189 1.00 0.00 H new ATOM 0 HD12 LEU C 32 1.008 5.978 -17.625 1.00 0.00 H new ATOM 0 HD13 LEU C 32 2.245 5.814 -16.357 1.00 0.00 H new ATOM 0 HD21 LEU C 32 2.680 8.813 -15.884 1.00 0.00 H new ATOM 0 HD22 LEU C 32 3.966 7.594 -16.050 1.00 0.00 H new ATOM 0 HD23 LEU C 32 3.960 9.031 -17.101 1.00 0.00 H new ATOM 397 N GLN C 33 4.779 8.050 -21.616 1.00 0.00 N ATOM 398 CA GLN C 33 5.961 7.859 -22.501 1.00 0.00 C ATOM 399 C GLN C 33 7.159 7.415 -21.659 1.00 0.00 C ATOM 400 O GLN C 33 7.887 8.225 -21.122 1.00 0.00 O ATOM 401 CB GLN C 33 6.293 9.178 -23.202 1.00 0.00 C ATOM 402 CG GLN C 33 6.790 8.891 -24.619 1.00 0.00 C ATOM 403 CD GLN C 33 8.279 8.544 -24.575 1.00 0.00 C ATOM 404 OE1 GLN C 33 8.645 7.385 -24.547 1.00 0.00 O ATOM 405 NE2 GLN C 33 9.160 9.506 -24.564 1.00 0.00 N ATOM 0 H GLN C 33 4.386 8.991 -21.612 1.00 0.00 H new ATOM 0 HA GLN C 33 5.737 7.097 -23.248 1.00 0.00 H new ATOM 0 HB2 GLN C 33 5.410 9.816 -23.237 1.00 0.00 H new ATOM 0 HB3 GLN C 33 7.055 9.719 -22.641 1.00 0.00 H new ATOM 0 HG2 GLN C 33 6.226 8.066 -25.054 1.00 0.00 H new ATOM 0 HG3 GLN C 33 6.627 9.760 -25.256 1.00 0.00 H new ATOM 0 HE21 GLN C 33 8.853 10.479 -24.588 1.00 0.00 H new ATOM 0 HE22 GLN C 33 10.155 9.286 -24.532 1.00 0.00 H new ATOM 414 N ILE C 34 7.367 6.133 -21.540 1.00 0.00 N ATOM 415 CA ILE C 34 8.516 5.637 -20.733 1.00 0.00 C ATOM 416 C ILE C 34 9.822 6.197 -21.297 1.00 0.00 C ATOM 417 O ILE C 34 9.906 6.566 -22.452 1.00 0.00 O ATOM 418 CB ILE C 34 8.553 4.108 -20.784 1.00 0.00 C ATOM 419 CG1 ILE C 34 7.246 3.545 -20.222 1.00 0.00 C ATOM 420 CG2 ILE C 34 9.729 3.597 -19.947 1.00 0.00 C ATOM 421 CD1 ILE C 34 7.068 4.012 -18.776 1.00 0.00 C ATOM 0 H ILE C 34 6.791 5.408 -21.967 1.00 0.00 H new ATOM 0 HA ILE C 34 8.399 5.965 -19.700 1.00 0.00 H new ATOM 0 HB ILE C 34 8.673 3.783 -21.818 1.00 0.00 H new ATOM 0 HG12 ILE C 34 6.404 3.878 -20.829 1.00 0.00 H new ATOM 0 HG13 ILE C 34 7.259 2.456 -20.264 1.00 0.00 H new ATOM 0 HG21 ILE C 34 9.755 2.508 -19.983 1.00 0.00 H new ATOM 0 HG22 ILE C 34 10.661 3.996 -20.347 1.00 0.00 H new ATOM 0 HG23 ILE C 34 9.609 3.923 -18.914 1.00 0.00 H new ATOM 0 HD11 ILE C 34 6.137 3.611 -18.376 1.00 0.00 H new ATOM 0 HD12 ILE C 34 7.904 3.657 -18.174 1.00 0.00 H new ATOM 0 HD13 ILE C 34 7.036 5.101 -18.747 1.00 0.00 H new ATOM 433 N VAL C 35 10.844 6.260 -20.488 1.00 0.00 N ATOM 434 CA VAL C 35 12.149 6.793 -20.967 1.00 0.00 C ATOM 435 C VAL C 35 13.179 5.665 -20.964 1.00 0.00 C ATOM 436 O VAL C 35 13.936 5.497 -21.900 1.00 0.00 O ATOM 437 CB VAL C 35 12.616 7.911 -20.031 1.00 0.00 C ATOM 438 CG1 VAL C 35 14.074 8.257 -20.339 1.00 0.00 C ATOM 439 CG2 VAL C 35 11.744 9.151 -20.239 1.00 0.00 C ATOM 0 H VAL C 35 10.830 5.964 -19.512 1.00 0.00 H new ATOM 0 HA VAL C 35 12.038 7.188 -21.977 1.00 0.00 H new ATOM 0 HB VAL C 35 12.531 7.577 -18.997 1.00 0.00 H new ATOM 0 HG11 VAL C 35 14.408 9.053 -19.673 1.00 0.00 H new ATOM 0 HG12 VAL C 35 14.697 7.375 -20.190 1.00 0.00 H new ATOM 0 HG13 VAL C 35 14.158 8.590 -21.373 1.00 0.00 H new ATOM 0 HG21 VAL C 35 12.077 9.946 -19.572 1.00 0.00 H new ATOM 0 HG22 VAL C 35 11.828 9.486 -21.273 1.00 0.00 H new ATOM 0 HG23 VAL C 35 10.705 8.906 -20.020 1.00 0.00 H new ATOM 449 N ASN C 36 13.209 4.892 -19.917 1.00 0.00 N ATOM 450 CA ASN C 36 14.185 3.768 -19.840 1.00 0.00 C ATOM 451 C ASN C 36 13.558 2.608 -19.063 1.00 0.00 C ATOM 452 O ASN C 36 12.365 2.575 -18.834 1.00 0.00 O ATOM 453 CB ASN C 36 15.451 4.242 -19.122 1.00 0.00 C ATOM 454 CG ASN C 36 16.663 3.497 -19.684 1.00 0.00 C ATOM 455 OD1 ASN C 36 16.516 2.516 -20.387 1.00 0.00 O ATOM 456 ND2 ASN C 36 17.864 3.922 -19.402 1.00 0.00 N ATOM 0 H ASN C 36 12.597 4.989 -19.107 1.00 0.00 H new ATOM 0 HA ASN C 36 14.443 3.436 -20.846 1.00 0.00 H new ATOM 0 HB2 ASN C 36 15.577 5.316 -19.255 1.00 0.00 H new ATOM 0 HB3 ASN C 36 15.364 4.061 -18.051 1.00 0.00 H new ATOM 0 HD21 ASN C 36 18.678 3.431 -19.771 1.00 0.00 H new ATOM 0 HD22 ASN C 36 17.988 4.745 -18.812 1.00 0.00 H new ATOM 463 N ASN C 37 14.351 1.654 -18.656 1.00 0.00 N ATOM 464 CA ASN C 37 13.795 0.497 -17.895 1.00 0.00 C ATOM 465 C ASN C 37 14.934 -0.428 -17.467 1.00 0.00 C ATOM 466 O ASN C 37 14.834 -1.635 -17.559 1.00 0.00 O ATOM 467 CB ASN C 37 12.814 -0.275 -18.780 1.00 0.00 C ATOM 468 CG ASN C 37 13.535 -0.761 -20.039 1.00 0.00 C ATOM 469 OD1 ASN C 37 14.601 -1.339 -19.959 1.00 0.00 O ATOM 470 ND2 ASN C 37 12.995 -0.550 -21.209 1.00 0.00 N ATOM 0 H ASN C 37 15.358 1.625 -18.817 1.00 0.00 H new ATOM 0 HA ASN C 37 13.273 0.863 -17.011 1.00 0.00 H new ATOM 0 HB2 ASN C 37 12.404 -1.124 -18.232 1.00 0.00 H new ATOM 0 HB3 ASN C 37 11.974 0.364 -19.053 1.00 0.00 H new ATOM 0 HD21 ASN C 37 13.468 -0.870 -22.054 1.00 0.00 H new ATOM 0 HD22 ASN C 37 12.100 -0.065 -21.278 1.00 0.00 H new ATOM 477 N THR C 38 16.017 0.129 -16.999 1.00 0.00 N ATOM 478 CA THR C 38 17.163 -0.718 -16.565 1.00 0.00 C ATOM 479 C THR C 38 17.448 -0.466 -15.082 1.00 0.00 C ATOM 480 O THR C 38 18.200 -1.184 -14.454 1.00 0.00 O ATOM 481 CB THR C 38 18.401 -0.361 -17.392 1.00 0.00 C ATOM 482 OG1 THR C 38 19.549 -0.961 -16.806 1.00 0.00 O ATOM 483 CG2 THR C 38 18.576 1.158 -17.421 1.00 0.00 C ATOM 0 H THR C 38 16.158 1.134 -16.898 1.00 0.00 H new ATOM 0 HA THR C 38 16.918 -1.770 -16.714 1.00 0.00 H new ATOM 0 HB THR C 38 18.277 -0.730 -18.410 1.00 0.00 H new ATOM 0 HG1 THR C 38 19.333 -1.264 -15.899 1.00 0.00 H new ATOM 0 HG21 THR C 38 19.458 1.412 -18.010 1.00 0.00 H new ATOM 0 HG22 THR C 38 17.695 1.617 -17.870 1.00 0.00 H new ATOM 0 HG23 THR C 38 18.700 1.529 -16.404 1.00 0.00 H new ATOM 491 N GLU C 39 16.852 0.549 -14.520 1.00 0.00 N ATOM 492 CA GLU C 39 17.086 0.847 -13.078 1.00 0.00 C ATOM 493 C GLU C 39 16.604 -0.327 -12.228 1.00 0.00 C ATOM 494 O GLU C 39 17.320 -0.841 -11.392 1.00 0.00 O ATOM 495 CB GLU C 39 16.316 2.111 -12.687 1.00 0.00 C ATOM 496 CG GLU C 39 17.298 3.173 -12.185 1.00 0.00 C ATOM 497 CD GLU C 39 17.103 3.379 -10.681 1.00 0.00 C ATOM 498 OE1 GLU C 39 16.178 4.084 -10.315 1.00 0.00 O ATOM 499 OE2 GLU C 39 17.883 2.827 -9.923 1.00 0.00 O ATOM 0 H GLU C 39 16.213 1.185 -14.997 1.00 0.00 H new ATOM 0 HA GLU C 39 18.151 1.003 -12.908 1.00 0.00 H new ATOM 0 HB2 GLU C 39 15.760 2.491 -13.544 1.00 0.00 H new ATOM 0 HB3 GLU C 39 15.586 1.880 -11.911 1.00 0.00 H new ATOM 0 HG2 GLU C 39 18.322 2.862 -12.390 1.00 0.00 H new ATOM 0 HG3 GLU C 39 17.137 4.112 -12.715 1.00 0.00 H new ATOM 506 N GLY C 40 15.392 -0.756 -12.438 1.00 0.00 N ATOM 507 CA GLY C 40 14.855 -1.898 -11.647 1.00 0.00 C ATOM 508 C GLY C 40 13.355 -1.697 -11.420 1.00 0.00 C ATOM 509 O GLY C 40 12.562 -1.790 -12.336 1.00 0.00 O ATOM 0 H GLY C 40 14.748 -0.364 -13.125 1.00 0.00 H new ATOM 0 HA2 GLY C 40 15.032 -2.835 -12.174 1.00 0.00 H new ATOM 0 HA3 GLY C 40 15.373 -1.968 -10.690 1.00 0.00 H new ATOM 513 N ASP C 41 12.959 -1.424 -10.207 1.00 0.00 N ATOM 514 CA ASP C 41 11.511 -1.220 -9.927 1.00 0.00 C ATOM 515 C ASP C 41 11.190 0.275 -9.959 1.00 0.00 C ATOM 516 O ASP C 41 10.333 0.750 -9.241 1.00 0.00 O ATOM 517 CB ASP C 41 11.175 -1.778 -8.542 1.00 0.00 C ATOM 518 CG ASP C 41 11.628 -3.237 -8.457 1.00 0.00 C ATOM 519 OD1 ASP C 41 12.825 -3.461 -8.381 1.00 0.00 O ATOM 520 OD2 ASP C 41 10.770 -4.105 -8.467 1.00 0.00 O ATOM 0 H ASP C 41 13.575 -1.334 -9.399 1.00 0.00 H new ATOM 0 HA ASP C 41 10.921 -1.737 -10.683 1.00 0.00 H new ATOM 0 HB2 ASP C 41 11.669 -1.187 -7.770 1.00 0.00 H new ATOM 0 HB3 ASP C 41 10.103 -1.708 -8.360 1.00 0.00 H new ATOM 525 N TRP C 42 11.871 1.024 -10.784 1.00 0.00 N ATOM 526 CA TRP C 42 11.596 2.486 -10.851 1.00 0.00 C ATOM 527 C TRP C 42 12.121 3.055 -12.169 1.00 0.00 C ATOM 528 O TRP C 42 13.302 3.295 -12.328 1.00 0.00 O ATOM 529 CB TRP C 42 12.288 3.185 -9.681 1.00 0.00 C ATOM 530 CG TRP C 42 11.443 3.011 -8.420 1.00 0.00 C ATOM 531 CD1 TRP C 42 11.767 2.228 -7.376 1.00 0.00 C ATOM 532 CD2 TRP C 42 10.273 3.604 -8.197 1.00 0.00 C ATOM 533 NE1 TRP C 42 10.743 2.386 -6.535 1.00 0.00 N ATOM 534 CE2 TRP C 42 9.768 3.226 -6.968 1.00 0.00 C ATOM 535 CE3 TRP C 42 9.565 4.480 -8.994 1.00 0.00 C ATOM 536 CZ2 TRP C 42 8.556 3.723 -6.539 1.00 0.00 C ATOM 537 CZ3 TRP C 42 8.352 4.978 -8.562 1.00 0.00 C ATOM 538 CH2 TRP C 42 7.848 4.598 -7.335 1.00 0.00 C ATOM 0 H TRP C 42 12.602 0.688 -11.411 1.00 0.00 H new ATOM 0 HA TRP C 42 10.520 2.653 -10.794 1.00 0.00 H new ATOM 0 HB2 TRP C 42 13.282 2.765 -9.528 1.00 0.00 H new ATOM 0 HB3 TRP C 42 12.420 4.244 -9.901 1.00 0.00 H new ATOM 0 HD1 TRP C 42 12.648 1.616 -7.248 1.00 0.00 H new ATOM 0 HE1 TRP C 42 10.696 1.911 -5.634 1.00 0.00 H new ATOM 0 HE3 TRP C 42 9.959 4.776 -9.955 1.00 0.00 H new ATOM 0 HZ2 TRP C 42 8.161 3.427 -5.579 1.00 0.00 H new ATOM 0 HZ3 TRP C 42 7.798 5.665 -9.184 1.00 0.00 H new ATOM 0 HH2 TRP C 42 6.898 4.986 -6.998 1.00 0.00 H new ATOM 549 N TRP C 43 11.252 3.274 -13.116 1.00 0.00 N ATOM 550 CA TRP C 43 11.699 3.829 -14.424 1.00 0.00 C ATOM 551 C TRP C 43 11.228 5.278 -14.538 1.00 0.00 C ATOM 552 O TRP C 43 10.391 5.730 -13.780 1.00 0.00 O ATOM 553 CB TRP C 43 11.096 3.011 -15.566 1.00 0.00 C ATOM 554 CG TRP C 43 11.248 1.519 -15.266 1.00 0.00 C ATOM 555 CD1 TRP C 43 12.327 0.950 -14.704 1.00 0.00 C ATOM 556 CD2 TRP C 43 10.332 0.593 -15.534 1.00 0.00 C ATOM 557 NE1 TRP C 43 12.008 -0.345 -14.654 1.00 0.00 N ATOM 558 CE2 TRP C 43 10.782 -0.655 -15.151 1.00 0.00 C ATOM 559 CE3 TRP C 43 9.085 0.732 -16.106 1.00 0.00 C ATOM 560 CZ2 TRP C 43 9.982 -1.764 -15.338 1.00 0.00 C ATOM 561 CZ3 TRP C 43 8.285 -0.377 -16.294 1.00 0.00 C ATOM 562 CH2 TRP C 43 8.733 -1.625 -15.910 1.00 0.00 C ATOM 0 H TRP C 43 10.251 3.093 -13.041 1.00 0.00 H new ATOM 0 HA TRP C 43 12.786 3.785 -14.485 1.00 0.00 H new ATOM 0 HB2 TRP C 43 10.042 3.262 -15.689 1.00 0.00 H new ATOM 0 HB3 TRP C 43 11.594 3.256 -16.504 1.00 0.00 H new ATOM 0 HD1 TRP C 43 13.237 1.427 -14.371 1.00 0.00 H new ATOM 0 HE1 TRP C 43 12.638 -1.050 -14.271 1.00 0.00 H new ATOM 0 HE3 TRP C 43 8.734 1.708 -16.407 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 10.333 -2.740 -15.037 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 7.308 -0.268 -16.742 1.00 0.00 H new ATOM 0 HH2 TRP C 43 8.107 -2.492 -16.057 1.00 0.00 H new ATOM 573 N LEU C 44 11.752 6.012 -15.478 1.00 0.00 N ATOM 574 CA LEU C 44 11.327 7.429 -15.634 1.00 0.00 C ATOM 575 C LEU C 44 10.272 7.518 -16.734 1.00 0.00 C ATOM 576 O LEU C 44 10.470 7.044 -17.833 1.00 0.00 O ATOM 577 CB LEU C 44 12.538 8.282 -16.010 1.00 0.00 C ATOM 578 CG LEU C 44 12.263 9.746 -15.665 1.00 0.00 C ATOM 579 CD1 LEU C 44 12.171 9.906 -14.146 1.00 0.00 C ATOM 580 CD2 LEU C 44 13.404 10.608 -16.201 1.00 0.00 C ATOM 0 H LEU C 44 12.455 5.692 -16.144 1.00 0.00 H new ATOM 0 HA LEU C 44 10.906 7.794 -14.697 1.00 0.00 H new ATOM 0 HB2 LEU C 44 13.422 7.932 -15.476 1.00 0.00 H new ATOM 0 HB3 LEU C 44 12.749 8.182 -17.075 1.00 0.00 H new ATOM 0 HG LEU C 44 11.322 10.059 -16.117 1.00 0.00 H new ATOM 0 HD11 LEU C 44 11.975 10.950 -13.901 1.00 0.00 H new ATOM 0 HD12 LEU C 44 11.361 9.285 -13.763 1.00 0.00 H new ATOM 0 HD13 LEU C 44 13.112 9.597 -13.690 1.00 0.00 H new ATOM 0 HD21 LEU C 44 13.215 11.654 -15.959 1.00 0.00 H new ATOM 0 HD22 LEU C 44 14.343 10.294 -15.745 1.00 0.00 H new ATOM 0 HD23 LEU C 44 13.470 10.492 -17.283 1.00 0.00 H new ATOM 592 N ALA C 45 9.153 8.124 -16.453 1.00 0.00 N ATOM 593 CA ALA C 45 8.093 8.234 -17.492 1.00 0.00 C ATOM 594 C ALA C 45 7.862 9.702 -17.851 1.00 0.00 C ATOM 595 O ALA C 45 8.254 10.604 -17.136 1.00 0.00 O ATOM 596 CB ALA C 45 6.793 7.633 -16.957 1.00 0.00 C ATOM 0 H ALA C 45 8.927 8.546 -15.552 1.00 0.00 H new ATOM 0 HA ALA C 45 8.410 7.693 -18.384 1.00 0.00 H new ATOM 0 HB1 ALA C 45 6.016 7.713 -17.717 1.00 0.00 H new ATOM 0 HB2 ALA C 45 6.952 6.583 -16.709 1.00 0.00 H new ATOM 0 HB3 ALA C 45 6.483 8.174 -16.063 1.00 0.00 H new ATOM 602 N HIS C 46 7.223 9.940 -18.964 1.00 0.00 N ATOM 603 CA HIS C 46 6.949 11.338 -19.399 1.00 0.00 C ATOM 604 C HIS C 46 5.514 11.417 -19.928 1.00 0.00 C ATOM 605 O HIS C 46 5.170 10.781 -20.904 1.00 0.00 O ATOM 606 CB HIS C 46 7.933 11.714 -20.510 1.00 0.00 C ATOM 607 CG HIS C 46 7.859 13.216 -20.790 1.00 0.00 C ATOM 608 ND1 HIS C 46 7.078 13.914 -21.693 1.00 0.00 N flip ATOM 609 CD2 HIS C 46 8.563 14.100 -20.217 1.00 0.00 C flip ATOM 610 CE1 HIS C 46 7.359 15.223 -21.615 1.00 0.00 C flip ATOM 611 NE2 HIS C 46 8.291 15.261 -20.678 1.00 0.00 N flip ATOM 0 H HIS C 46 6.876 9.218 -19.596 1.00 0.00 H new ATOM 0 HA HIS C 46 7.067 12.027 -18.562 1.00 0.00 H new ATOM 0 HB2 HIS C 46 8.947 11.440 -20.217 1.00 0.00 H new ATOM 0 HB3 HIS C 46 7.701 11.155 -21.417 1.00 0.00 H new ATOM 0 HD1 HIS C 46 6.393 13.497 -22.323 1.00 0.00 H new ATOM 0 HD2 HIS C 46 9.292 13.900 -19.446 1.00 0.00 H new ATOM 0 HE1 HIS C 46 6.931 16.041 -22.176 1.00 0.00 H new ATOM 619 N SER C 47 4.673 12.192 -19.297 1.00 0.00 N ATOM 620 CA SER C 47 3.261 12.303 -19.772 1.00 0.00 C ATOM 621 C SER C 47 3.160 13.360 -20.876 1.00 0.00 C ATOM 622 O SER C 47 2.231 14.139 -20.904 1.00 0.00 O ATOM 623 CB SER C 47 2.360 12.702 -18.602 1.00 0.00 C ATOM 624 OG SER C 47 2.207 11.596 -17.726 1.00 0.00 O ATOM 0 H SER C 47 4.901 12.752 -18.475 1.00 0.00 H new ATOM 0 HA SER C 47 2.942 11.340 -20.170 1.00 0.00 H new ATOM 0 HB2 SER C 47 2.793 13.547 -18.067 1.00 0.00 H new ATOM 0 HB3 SER C 47 1.387 13.024 -18.972 1.00 0.00 H new ATOM 0 HG SER C 47 1.631 11.851 -16.975 1.00 0.00 H new ATOM 630 N LEU C 48 4.110 13.361 -21.784 1.00 0.00 N ATOM 631 CA LEU C 48 4.132 14.344 -22.921 1.00 0.00 C ATOM 632 C LEU C 48 3.189 15.524 -22.671 1.00 0.00 C ATOM 633 O LEU C 48 2.329 15.824 -23.476 1.00 0.00 O ATOM 634 CB LEU C 48 3.720 13.631 -24.207 1.00 0.00 C ATOM 635 CG LEU C 48 4.891 12.786 -24.708 1.00 0.00 C ATOM 636 CD1 LEU C 48 4.465 12.016 -25.959 1.00 0.00 C ATOM 637 CD2 LEU C 48 6.072 13.703 -25.043 1.00 0.00 C ATOM 0 H LEU C 48 4.891 12.705 -21.785 1.00 0.00 H new ATOM 0 HA LEU C 48 5.145 14.738 -23.008 1.00 0.00 H new ATOM 0 HB2 LEU C 48 2.851 12.999 -24.024 1.00 0.00 H new ATOM 0 HB3 LEU C 48 3.431 14.359 -24.965 1.00 0.00 H new ATOM 0 HG LEU C 48 5.190 12.079 -23.934 1.00 0.00 H new ATOM 0 HD11 LEU C 48 5.300 11.413 -26.317 1.00 0.00 H new ATOM 0 HD12 LEU C 48 3.625 11.365 -25.717 1.00 0.00 H new ATOM 0 HD13 LEU C 48 4.167 12.720 -26.736 1.00 0.00 H new ATOM 0 HD21 LEU C 48 6.909 13.103 -25.401 1.00 0.00 H new ATOM 0 HD22 LEU C 48 5.775 14.410 -25.818 1.00 0.00 H new ATOM 0 HD23 LEU C 48 6.373 14.249 -24.149 1.00 0.00 H new ATOM 649 N THR C 49 3.343 16.197 -21.565 1.00 0.00 N ATOM 650 CA THR C 49 2.454 17.356 -21.271 1.00 0.00 C ATOM 651 C THR C 49 3.295 18.637 -21.232 1.00 0.00 C ATOM 652 O THR C 49 3.628 19.199 -22.258 1.00 0.00 O ATOM 653 CB THR C 49 1.762 17.143 -19.921 1.00 0.00 C ATOM 654 OG1 THR C 49 0.859 16.051 -20.022 1.00 0.00 O ATOM 655 CG2 THR C 49 0.996 18.408 -19.532 1.00 0.00 C ATOM 0 H THR C 49 4.045 15.995 -20.853 1.00 0.00 H new ATOM 0 HA THR C 49 1.695 17.445 -22.048 1.00 0.00 H new ATOM 0 HB THR C 49 2.510 16.927 -19.158 1.00 0.00 H new ATOM 0 HG1 THR C 49 1.198 15.406 -20.677 1.00 0.00 H new ATOM 0 HG21 THR C 49 0.504 18.255 -18.571 1.00 0.00 H new ATOM 0 HG22 THR C 49 1.690 19.245 -19.455 1.00 0.00 H new ATOM 0 HG23 THR C 49 0.246 18.628 -20.292 1.00 0.00 H new ATOM 663 N THR C 50 3.645 19.105 -20.065 1.00 0.00 N ATOM 664 CA THR C 50 4.463 20.347 -19.980 1.00 0.00 C ATOM 665 C THR C 50 5.945 19.972 -19.983 1.00 0.00 C ATOM 666 O THR C 50 6.786 20.717 -19.522 1.00 0.00 O ATOM 667 CB THR C 50 4.127 21.093 -18.687 1.00 0.00 C ATOM 668 OG1 THR C 50 3.577 20.183 -17.745 1.00 0.00 O ATOM 669 CG2 THR C 50 3.115 22.200 -18.984 1.00 0.00 C ATOM 0 H THR C 50 3.401 18.682 -19.170 1.00 0.00 H new ATOM 0 HA THR C 50 4.245 20.989 -20.833 1.00 0.00 H new ATOM 0 HB THR C 50 5.034 21.535 -18.276 1.00 0.00 H new ATOM 0 HG1 THR C 50 3.363 20.660 -16.916 1.00 0.00 H new ATOM 0 HG21 THR C 50 2.876 22.731 -18.063 1.00 0.00 H new ATOM 0 HG22 THR C 50 3.540 22.898 -19.705 1.00 0.00 H new ATOM 0 HG23 THR C 50 2.206 21.761 -19.396 1.00 0.00 H new ATOM 677 N GLY C 51 6.270 18.818 -20.499 1.00 0.00 N ATOM 678 CA GLY C 51 7.697 18.393 -20.533 1.00 0.00 C ATOM 679 C GLY C 51 8.151 18.042 -19.114 1.00 0.00 C ATOM 680 O GLY C 51 9.286 18.264 -18.742 1.00 0.00 O ATOM 0 H GLY C 51 5.609 18.152 -20.898 1.00 0.00 H new ATOM 0 HA2 GLY C 51 7.817 17.531 -21.190 1.00 0.00 H new ATOM 0 HA3 GLY C 51 8.317 19.192 -20.939 1.00 0.00 H new ATOM 684 N GLN C 52 7.273 17.493 -18.321 1.00 0.00 N ATOM 685 CA GLN C 52 7.651 17.127 -16.928 1.00 0.00 C ATOM 686 C GLN C 52 7.841 15.612 -16.827 1.00 0.00 C ATOM 687 O GLN C 52 6.968 14.842 -17.173 1.00 0.00 O ATOM 688 CB GLN C 52 6.543 17.564 -15.968 1.00 0.00 C ATOM 689 CG GLN C 52 6.897 18.922 -15.361 1.00 0.00 C ATOM 690 CD GLN C 52 5.898 19.260 -14.252 1.00 0.00 C ATOM 691 OE1 GLN C 52 4.708 19.321 -14.489 1.00 0.00 O ATOM 692 NE2 GLN C 52 6.335 19.482 -13.042 1.00 0.00 N ATOM 0 H GLN C 52 6.309 17.282 -18.578 1.00 0.00 H new ATOM 0 HA GLN C 52 8.583 17.627 -16.664 1.00 0.00 H new ATOM 0 HB2 GLN C 52 5.593 17.628 -16.498 1.00 0.00 H new ATOM 0 HB3 GLN C 52 6.418 16.823 -15.179 1.00 0.00 H new ATOM 0 HG2 GLN C 52 7.910 18.900 -14.959 1.00 0.00 H new ATOM 0 HG3 GLN C 52 6.877 19.693 -16.131 1.00 0.00 H new ATOM 0 HE21 GLN C 52 7.334 19.431 -12.843 1.00 0.00 H new ATOM 0 HE22 GLN C 52 5.677 19.707 -12.295 1.00 0.00 H new ATOM 701 N THR C 53 8.978 15.179 -16.354 1.00 0.00 N ATOM 702 CA THR C 53 9.229 13.717 -16.228 1.00 0.00 C ATOM 703 C THR C 53 8.950 13.288 -14.779 1.00 0.00 C ATOM 704 O THR C 53 8.666 14.106 -13.927 1.00 0.00 O ATOM 705 CB THR C 53 10.690 13.427 -16.636 1.00 0.00 C ATOM 706 OG1 THR C 53 10.696 12.549 -17.751 1.00 0.00 O ATOM 707 CG2 THR C 53 11.477 12.784 -15.486 1.00 0.00 C ATOM 0 H THR C 53 9.745 15.778 -16.049 1.00 0.00 H new ATOM 0 HA THR C 53 8.571 13.148 -16.884 1.00 0.00 H new ATOM 0 HB THR C 53 11.168 14.373 -16.890 1.00 0.00 H new ATOM 0 HG1 THR C 53 10.034 11.840 -17.613 1.00 0.00 H new ATOM 0 HG21 THR C 53 12.501 12.593 -15.808 1.00 0.00 H new ATOM 0 HG22 THR C 53 11.485 13.458 -14.629 1.00 0.00 H new ATOM 0 HG23 THR C 53 11.005 11.843 -15.203 1.00 0.00 H new ATOM 715 N GLY C 54 9.028 12.016 -14.493 1.00 0.00 N ATOM 716 CA GLY C 54 8.766 11.556 -13.098 1.00 0.00 C ATOM 717 C GLY C 54 9.047 10.056 -12.980 1.00 0.00 C ATOM 718 O GLY C 54 8.471 9.249 -13.683 1.00 0.00 O ATOM 0 H GLY C 54 9.260 11.280 -15.160 1.00 0.00 H new ATOM 0 HA2 GLY C 54 9.395 12.108 -12.400 1.00 0.00 H new ATOM 0 HA3 GLY C 54 7.731 11.763 -12.826 1.00 0.00 H new ATOM 722 N TYR C 55 9.924 9.674 -12.090 1.00 0.00 N ATOM 723 CA TYR C 55 10.244 8.231 -11.924 1.00 0.00 C ATOM 724 C TYR C 55 8.977 7.471 -11.523 1.00 0.00 C ATOM 725 O TYR C 55 8.602 7.434 -10.368 1.00 0.00 O ATOM 726 CB TYR C 55 11.304 8.076 -10.833 1.00 0.00 C ATOM 727 CG TYR C 55 12.610 8.730 -11.289 1.00 0.00 C ATOM 728 CD1 TYR C 55 13.412 8.115 -12.229 1.00 0.00 C ATOM 729 CD2 TYR C 55 13.005 9.944 -10.765 1.00 0.00 C ATOM 730 CE1 TYR C 55 14.591 8.704 -12.639 1.00 0.00 C ATOM 731 CE2 TYR C 55 14.183 10.533 -11.174 1.00 0.00 C ATOM 732 CZ TYR C 55 14.985 9.917 -12.114 1.00 0.00 C ATOM 733 OH TYR C 55 16.164 10.508 -12.525 1.00 0.00 O ATOM 0 H TYR C 55 10.433 10.304 -11.470 1.00 0.00 H new ATOM 0 HA TYR C 55 10.624 7.827 -12.862 1.00 0.00 H new ATOM 0 HB2 TYR C 55 10.958 8.537 -9.908 1.00 0.00 H new ATOM 0 HB3 TYR C 55 11.469 7.020 -10.620 1.00 0.00 H new ATOM 0 HD1 TYR C 55 13.114 7.165 -12.647 1.00 0.00 H new ATOM 0 HD2 TYR C 55 12.387 10.437 -10.029 1.00 0.00 H new ATOM 0 HE1 TYR C 55 15.209 8.212 -13.376 1.00 0.00 H new ATOM 0 HE2 TYR C 55 14.480 11.483 -10.756 1.00 0.00 H new ATOM 0 HH TYR C 55 16.285 11.359 -12.054 1.00 0.00 H new ATOM 743 N ILE C 56 8.316 6.862 -12.470 1.00 0.00 N ATOM 744 CA ILE C 56 7.074 6.104 -12.146 1.00 0.00 C ATOM 745 C ILE C 56 7.439 4.668 -11.749 1.00 0.00 C ATOM 746 O ILE C 56 8.357 4.091 -12.298 1.00 0.00 O ATOM 747 CB ILE C 56 6.165 6.075 -13.376 1.00 0.00 C ATOM 748 CG1 ILE C 56 6.896 5.402 -14.539 1.00 0.00 C ATOM 749 CG2 ILE C 56 5.799 7.508 -13.768 1.00 0.00 C ATOM 750 CD1 ILE C 56 5.922 4.501 -15.300 1.00 0.00 C ATOM 0 H ILE C 56 8.583 6.857 -13.454 1.00 0.00 H new ATOM 0 HA ILE C 56 6.556 6.589 -11.318 1.00 0.00 H new ATOM 0 HB ILE C 56 5.259 5.514 -13.145 1.00 0.00 H new ATOM 0 HG12 ILE C 56 7.309 6.157 -15.208 1.00 0.00 H new ATOM 0 HG13 ILE C 56 7.735 4.815 -14.165 1.00 0.00 H new ATOM 0 HG21 ILE C 56 5.151 7.491 -14.644 1.00 0.00 H new ATOM 0 HG22 ILE C 56 5.278 7.990 -12.941 1.00 0.00 H new ATOM 0 HG23 ILE C 56 6.707 8.065 -13.999 1.00 0.00 H new ATOM 0 HD11 ILE C 56 6.442 4.021 -16.129 1.00 0.00 H new ATOM 0 HD12 ILE C 56 5.530 3.738 -14.627 1.00 0.00 H new ATOM 0 HD13 ILE C 56 5.098 5.101 -15.687 1.00 0.00 H new ATOM 762 N PRO C 57 6.711 4.132 -10.800 1.00 0.00 N ATOM 763 CA PRO C 57 6.946 2.760 -10.315 1.00 0.00 C ATOM 764 C PRO C 57 6.673 1.755 -11.441 1.00 0.00 C ATOM 765 O PRO C 57 5.907 2.018 -12.346 1.00 0.00 O ATOM 766 CB PRO C 57 5.948 2.573 -9.165 1.00 0.00 C ATOM 767 CG PRO C 57 5.090 3.863 -9.073 1.00 0.00 C ATOM 768 CD PRO C 57 5.614 4.850 -10.128 1.00 0.00 C ATOM 0 HA PRO C 57 7.974 2.600 -9.989 1.00 0.00 H new ATOM 0 HB2 PRO C 57 5.315 1.704 -9.345 1.00 0.00 H new ATOM 0 HB3 PRO C 57 6.474 2.395 -8.227 1.00 0.00 H new ATOM 0 HG2 PRO C 57 4.039 3.636 -9.250 1.00 0.00 H new ATOM 0 HG3 PRO C 57 5.159 4.297 -8.076 1.00 0.00 H new ATOM 0 HD2 PRO C 57 4.831 5.127 -10.834 1.00 0.00 H new ATOM 0 HD3 PRO C 57 5.968 5.772 -9.667 1.00 0.00 H new ATOM 776 N SER C 58 7.293 0.606 -11.391 1.00 0.00 N ATOM 777 CA SER C 58 7.070 -0.409 -12.455 1.00 0.00 C ATOM 778 C SER C 58 5.810 -1.228 -12.152 1.00 0.00 C ATOM 779 O SER C 58 5.040 -1.546 -13.037 1.00 0.00 O ATOM 780 CB SER C 58 8.280 -1.341 -12.511 1.00 0.00 C ATOM 781 OG SER C 58 8.453 -1.981 -11.254 1.00 0.00 O ATOM 0 H SER C 58 7.945 0.329 -10.657 1.00 0.00 H new ATOM 0 HA SER C 58 6.939 0.095 -13.412 1.00 0.00 H new ATOM 0 HB2 SER C 58 8.140 -2.087 -13.293 1.00 0.00 H new ATOM 0 HB3 SER C 58 9.175 -0.775 -12.767 1.00 0.00 H new ATOM 0 HG SER C 58 8.997 -2.788 -11.370 1.00 0.00 H new ATOM 787 N ASN C 59 5.590 -1.569 -10.912 1.00 0.00 N ATOM 788 CA ASN C 59 4.385 -2.366 -10.558 1.00 0.00 C ATOM 789 C ASN C 59 3.118 -1.539 -10.797 1.00 0.00 C ATOM 790 O ASN C 59 2.016 -2.046 -10.729 1.00 0.00 O ATOM 791 CB ASN C 59 4.468 -2.763 -9.085 1.00 0.00 C ATOM 792 CG ASN C 59 4.500 -1.504 -8.217 1.00 0.00 C ATOM 793 OD1 ASN C 59 3.931 -0.492 -8.573 1.00 0.00 O ATOM 794 ND2 ASN C 59 5.146 -1.523 -7.083 1.00 0.00 N ATOM 0 H ASN C 59 6.196 -1.328 -10.127 1.00 0.00 H new ATOM 0 HA ASN C 59 4.344 -3.259 -11.182 1.00 0.00 H new ATOM 0 HB2 ASN C 59 3.612 -3.381 -8.816 1.00 0.00 H new ATOM 0 HB3 ASN C 59 5.362 -3.362 -8.909 1.00 0.00 H new ATOM 0 HD21 ASN C 59 5.172 -0.689 -6.497 1.00 0.00 H new ATOM 0 HD22 ASN C 59 5.624 -2.372 -6.783 1.00 0.00 H new ATOM 801 N TYR C 60 3.261 -0.275 -11.080 1.00 0.00 N ATOM 802 CA TYR C 60 2.059 0.574 -11.322 1.00 0.00 C ATOM 803 C TYR C 60 1.819 0.710 -12.826 1.00 0.00 C ATOM 804 O TYR C 60 0.768 1.144 -13.256 1.00 0.00 O ATOM 805 CB TYR C 60 2.283 1.959 -10.707 1.00 0.00 C ATOM 806 CG TYR C 60 1.930 1.933 -9.214 1.00 0.00 C ATOM 807 CD1 TYR C 60 1.667 0.741 -8.569 1.00 0.00 C ATOM 808 CD2 TYR C 60 1.865 3.108 -8.494 1.00 0.00 C ATOM 809 CE1 TYR C 60 1.343 0.725 -7.227 1.00 0.00 C ATOM 810 CE2 TYR C 60 1.543 3.093 -7.153 1.00 0.00 C ATOM 811 CZ TYR C 60 1.279 1.901 -6.509 1.00 0.00 C ATOM 812 OH TYR C 60 0.958 1.887 -5.167 1.00 0.00 O ATOM 0 H TYR C 60 4.156 0.208 -11.154 1.00 0.00 H new ATOM 0 HA TYR C 60 1.187 0.109 -10.862 1.00 0.00 H new ATOM 0 HB2 TYR C 60 3.322 2.261 -10.838 1.00 0.00 H new ATOM 0 HB3 TYR C 60 1.669 2.698 -11.222 1.00 0.00 H new ATOM 0 HD1 TYR C 60 1.715 -0.187 -9.119 1.00 0.00 H new ATOM 0 HD2 TYR C 60 2.068 4.048 -8.985 1.00 0.00 H new ATOM 0 HE1 TYR C 60 1.138 -0.215 -6.736 1.00 0.00 H new ATOM 0 HE2 TYR C 60 1.497 4.021 -6.603 1.00 0.00 H new ATOM 0 HH TYR C 60 0.697 0.980 -4.903 1.00 0.00 H new ATOM 822 N VAL C 61 2.778 0.340 -13.632 1.00 0.00 N ATOM 823 CA VAL C 61 2.597 0.451 -15.108 1.00 0.00 C ATOM 824 C VAL C 61 3.007 -0.863 -15.775 1.00 0.00 C ATOM 825 O VAL C 61 3.614 -1.721 -15.165 1.00 0.00 O ATOM 826 CB VAL C 61 3.463 1.600 -15.642 1.00 0.00 C ATOM 827 CG1 VAL C 61 4.818 1.588 -14.932 1.00 0.00 C ATOM 828 CG2 VAL C 61 3.681 1.450 -17.150 1.00 0.00 C ATOM 0 H VAL C 61 3.678 -0.034 -13.332 1.00 0.00 H new ATOM 0 HA VAL C 61 1.550 0.654 -15.334 1.00 0.00 H new ATOM 0 HB VAL C 61 2.951 2.543 -15.451 1.00 0.00 H new ATOM 0 HG11 VAL C 61 5.434 2.404 -15.310 1.00 0.00 H new ATOM 0 HG12 VAL C 61 4.668 1.714 -13.860 1.00 0.00 H new ATOM 0 HG13 VAL C 61 5.319 0.638 -15.119 1.00 0.00 H new ATOM 0 HG21 VAL C 61 4.297 2.273 -17.512 1.00 0.00 H new ATOM 0 HG22 VAL C 61 4.183 0.504 -17.353 1.00 0.00 H new ATOM 0 HG23 VAL C 61 2.718 1.466 -17.660 1.00 0.00 H new ATOM 838 N ALA C 62 2.675 -1.022 -17.025 1.00 0.00 N ATOM 839 CA ALA C 62 3.038 -2.274 -17.745 1.00 0.00 C ATOM 840 C ALA C 62 2.931 -2.039 -19.257 1.00 0.00 C ATOM 841 O ALA C 62 2.089 -1.284 -19.705 1.00 0.00 O ATOM 842 CB ALA C 62 2.083 -3.396 -17.334 1.00 0.00 C ATOM 0 H ALA C 62 2.166 -0.336 -17.582 1.00 0.00 H new ATOM 0 HA ALA C 62 4.059 -2.558 -17.491 1.00 0.00 H new ATOM 0 HB1 ALA C 62 2.349 -4.312 -17.861 1.00 0.00 H new ATOM 0 HB2 ALA C 62 2.157 -3.561 -16.259 1.00 0.00 H new ATOM 0 HB3 ALA C 62 1.061 -3.115 -17.588 1.00 0.00 H new ATOM 848 N PRO C 63 3.788 -2.695 -19.999 1.00 0.00 N ATOM 849 CA PRO C 63 3.810 -2.573 -21.468 1.00 0.00 C ATOM 850 C PRO C 63 2.475 -3.038 -22.056 1.00 0.00 C ATOM 851 O PRO C 63 1.805 -3.887 -21.506 1.00 0.00 O ATOM 852 CB PRO C 63 4.950 -3.493 -21.923 1.00 0.00 C ATOM 853 CG PRO C 63 5.565 -4.144 -20.656 1.00 0.00 C ATOM 854 CD PRO C 63 4.801 -3.606 -19.435 1.00 0.00 C ATOM 0 HA PRO C 63 3.960 -1.545 -21.797 1.00 0.00 H new ATOM 0 HB2 PRO C 63 4.576 -4.258 -22.603 1.00 0.00 H new ATOM 0 HB3 PRO C 63 5.705 -2.926 -22.467 1.00 0.00 H new ATOM 0 HG2 PRO C 63 5.487 -5.230 -20.708 1.00 0.00 H new ATOM 0 HG3 PRO C 63 6.626 -3.904 -20.579 1.00 0.00 H new ATOM 0 HD2 PRO C 63 4.336 -4.415 -18.871 1.00 0.00 H new ATOM 0 HD3 PRO C 63 5.468 -3.082 -18.750 1.00 0.00 H new ATOM 862 N SER C 64 2.086 -2.487 -23.174 1.00 0.00 N ATOM 863 CA SER C 64 0.797 -2.898 -23.796 1.00 0.00 C ATOM 864 C SER C 64 1.063 -3.945 -24.880 1.00 0.00 C ATOM 865 O SER C 64 0.325 -4.915 -24.931 1.00 0.00 O ATOM 866 CB SER C 64 0.123 -1.675 -24.421 1.00 0.00 C ATOM 867 OG SER C 64 1.093 -0.898 -25.106 1.00 0.00 O ATOM 868 OXT SER C 64 1.999 -3.757 -25.640 1.00 0.00 O ATOM 0 H SER C 64 2.605 -1.771 -23.682 1.00 0.00 H new ATOM 0 HA SER C 64 0.144 -3.324 -23.034 1.00 0.00 H new ATOM 0 HB2 SER C 64 -0.659 -1.991 -25.111 1.00 0.00 H new ATOM 0 HB3 SER C 64 -0.358 -1.076 -23.647 1.00 0.00 H new ATOM 0 HG SER C 64 1.790 -1.487 -25.465 1.00 0.00 H new TER 874 SER C 64 ATOM 875 N ARG R 71 14.398 2.242 -0.842 1.00 0.00 N ATOM 876 CA ARG R 71 13.261 2.892 -1.555 1.00 0.00 C ATOM 877 C ARG R 71 11.966 2.145 -1.233 1.00 0.00 C ATOM 878 O ARG R 71 11.036 2.703 -0.684 1.00 0.00 O ATOM 879 CB ARG R 71 13.517 2.850 -3.063 1.00 0.00 C ATOM 880 CG ARG R 71 12.308 3.425 -3.802 1.00 0.00 C ATOM 881 CD ARG R 71 12.517 4.924 -4.033 1.00 0.00 C ATOM 882 NE ARG R 71 11.259 5.524 -4.561 1.00 0.00 N ATOM 883 CZ ARG R 71 11.286 6.686 -5.156 1.00 0.00 C ATOM 884 NH1 ARG R 71 12.414 7.331 -5.289 1.00 0.00 N ATOM 885 NH2 ARG R 71 10.181 7.206 -5.618 1.00 0.00 N ATOM 0 HA ARG R 71 13.171 3.929 -1.232 1.00 0.00 H new ATOM 0 HB2 ARG R 71 14.412 3.423 -3.307 1.00 0.00 H new ATOM 0 HB3 ARG R 71 13.698 1.824 -3.383 1.00 0.00 H new ATOM 0 HG2 ARG R 71 12.175 2.914 -4.756 1.00 0.00 H new ATOM 0 HG3 ARG R 71 11.401 3.259 -3.222 1.00 0.00 H new ATOM 0 HD2 ARG R 71 12.801 5.411 -3.100 1.00 0.00 H new ATOM 0 HD3 ARG R 71 13.333 5.084 -4.738 1.00 0.00 H new ATOM 0 HE ARG R 71 10.375 5.026 -4.457 1.00 0.00 H new ATOM 0 HH11 ARG R 71 13.278 6.927 -4.927 1.00 0.00 H new ATOM 0 HH12 ARG R 71 12.431 8.238 -5.754 1.00 0.00 H new ATOM 0 HH21 ARG R 71 9.299 6.705 -5.514 1.00 0.00 H new ATOM 0 HH22 ARG R 71 10.200 8.114 -6.083 1.00 0.00 H new ATOM 901 N ALA R 72 11.895 0.887 -1.575 1.00 0.00 N ATOM 902 CA ALA R 72 10.658 0.105 -1.287 1.00 0.00 C ATOM 903 C ALA R 72 9.536 0.551 -2.227 1.00 0.00 C ATOM 904 O ALA R 72 9.213 1.720 -2.313 1.00 0.00 O ATOM 905 CB ALA R 72 10.234 0.344 0.162 1.00 0.00 C ATOM 0 H ALA R 72 12.639 0.367 -2.041 1.00 0.00 H new ATOM 0 HA ALA R 72 10.856 -0.956 -1.440 1.00 0.00 H new ATOM 0 HB1 ALA R 72 9.330 -0.226 0.375 1.00 0.00 H new ATOM 0 HB2 ALA R 72 11.032 0.024 0.832 1.00 0.00 H new ATOM 0 HB3 ALA R 72 10.037 1.405 0.313 1.00 0.00 H new ATOM 911 N LEU R 73 8.937 -0.371 -2.931 1.00 0.00 N ATOM 912 CA LEU R 73 7.836 0.000 -3.865 1.00 0.00 C ATOM 913 C LEU R 73 6.603 0.420 -3.057 1.00 0.00 C ATOM 914 O LEU R 73 6.458 0.045 -1.911 1.00 0.00 O ATOM 915 CB LEU R 73 7.485 -1.201 -4.744 1.00 0.00 C ATOM 916 CG LEU R 73 8.714 -1.612 -5.559 1.00 0.00 C ATOM 917 CD1 LEU R 73 8.460 -2.969 -6.219 1.00 0.00 C ATOM 918 CD2 LEU R 73 8.984 -0.564 -6.641 1.00 0.00 C ATOM 0 H LEU R 73 9.163 -1.365 -2.900 1.00 0.00 H new ATOM 0 HA LEU R 73 8.158 0.829 -4.496 1.00 0.00 H new ATOM 0 HB2 LEU R 73 7.151 -2.033 -4.125 1.00 0.00 H new ATOM 0 HB3 LEU R 73 6.661 -0.949 -5.411 1.00 0.00 H new ATOM 0 HG LEU R 73 9.578 -1.684 -4.898 1.00 0.00 H new ATOM 0 HD11 LEU R 73 9.335 -3.261 -6.799 1.00 0.00 H new ATOM 0 HD12 LEU R 73 8.268 -3.717 -5.450 1.00 0.00 H new ATOM 0 HD13 LEU R 73 7.595 -2.897 -6.879 1.00 0.00 H new ATOM 0 HD21 LEU R 73 9.859 -0.857 -7.221 1.00 0.00 H new ATOM 0 HD22 LEU R 73 8.119 -0.491 -7.301 1.00 0.00 H new ATOM 0 HD23 LEU R 73 9.166 0.403 -6.173 1.00 0.00 H new ATOM 930 N PRO R 74 5.751 1.190 -3.685 1.00 0.00 N ATOM 931 CA PRO R 74 4.517 1.681 -3.048 1.00 0.00 C ATOM 932 C PRO R 74 3.573 0.510 -2.749 1.00 0.00 C ATOM 933 O PRO R 74 3.638 -0.516 -3.396 1.00 0.00 O ATOM 934 CB PRO R 74 3.890 2.623 -4.077 1.00 0.00 C ATOM 935 CG PRO R 74 4.755 2.561 -5.362 1.00 0.00 C ATOM 936 CD PRO R 74 5.951 1.637 -5.075 1.00 0.00 C ATOM 0 HA PRO R 74 4.713 2.182 -2.100 1.00 0.00 H new ATOM 0 HB2 PRO R 74 2.864 2.326 -4.292 1.00 0.00 H new ATOM 0 HB3 PRO R 74 3.852 3.641 -3.690 1.00 0.00 H new ATOM 0 HG2 PRO R 74 4.170 2.181 -6.199 1.00 0.00 H new ATOM 0 HG3 PRO R 74 5.099 3.557 -5.640 1.00 0.00 H new ATOM 0 HD2 PRO R 74 5.973 0.792 -5.764 1.00 0.00 H new ATOM 0 HD3 PRO R 74 6.897 2.166 -5.189 1.00 0.00 H new ATOM 944 N PRO R 75 2.724 0.701 -1.771 1.00 0.00 N ATOM 945 CA PRO R 75 1.752 -0.328 -1.364 1.00 0.00 C ATOM 946 C PRO R 75 0.798 -0.638 -2.521 1.00 0.00 C ATOM 947 O PRO R 75 -0.011 0.183 -2.908 1.00 0.00 O ATOM 948 CB PRO R 75 0.992 0.293 -0.185 1.00 0.00 C ATOM 949 CG PRO R 75 1.566 1.715 0.051 1.00 0.00 C ATOM 950 CD PRO R 75 2.668 1.953 -0.993 1.00 0.00 C ATOM 0 HA PRO R 75 2.230 -1.268 -1.089 1.00 0.00 H new ATOM 0 HB2 PRO R 75 -0.075 0.343 -0.402 1.00 0.00 H new ATOM 0 HB3 PRO R 75 1.108 -0.319 0.709 1.00 0.00 H new ATOM 0 HG2 PRO R 75 0.781 2.465 -0.044 1.00 0.00 H new ATOM 0 HG3 PRO R 75 1.970 1.802 1.060 1.00 0.00 H new ATOM 0 HD2 PRO R 75 2.432 2.805 -1.631 1.00 0.00 H new ATOM 0 HD3 PRO R 75 3.625 2.166 -0.517 1.00 0.00 H new ATOM 958 N LEU R 76 0.885 -1.815 -3.076 1.00 0.00 N ATOM 959 CA LEU R 76 -0.017 -2.175 -4.205 1.00 0.00 C ATOM 960 C LEU R 76 -1.475 -2.111 -3.738 1.00 0.00 C ATOM 961 O LEU R 76 -1.754 -2.252 -2.565 1.00 0.00 O ATOM 962 CB LEU R 76 0.305 -3.592 -4.682 1.00 0.00 C ATOM 963 CG LEU R 76 1.704 -3.616 -5.301 1.00 0.00 C ATOM 964 CD1 LEU R 76 2.174 -5.064 -5.450 1.00 0.00 C ATOM 965 CD2 LEU R 76 1.663 -2.949 -6.677 1.00 0.00 C ATOM 0 H LEU R 76 1.542 -2.543 -2.796 1.00 0.00 H new ATOM 0 HA LEU R 76 0.131 -1.473 -5.025 1.00 0.00 H new ATOM 0 HB2 LEU R 76 0.254 -4.289 -3.846 1.00 0.00 H new ATOM 0 HB3 LEU R 76 -0.434 -3.918 -5.414 1.00 0.00 H new ATOM 0 HG LEU R 76 2.396 -3.076 -4.655 1.00 0.00 H new ATOM 0 HD11 LEU R 76 3.171 -5.079 -5.891 1.00 0.00 H new ATOM 0 HD12 LEU R 76 2.204 -5.540 -4.470 1.00 0.00 H new ATOM 0 HD13 LEU R 76 1.483 -5.606 -6.096 1.00 0.00 H new ATOM 0 HD21 LEU R 76 2.659 -2.965 -7.119 1.00 0.00 H new ATOM 0 HD22 LEU R 76 0.970 -3.489 -7.323 1.00 0.00 H new ATOM 0 HD23 LEU R 76 1.330 -1.917 -6.571 1.00 0.00 H new ATOM 977 N PRO R 77 -2.362 -1.897 -4.678 1.00 0.00 N ATOM 978 CA PRO R 77 -3.805 -1.807 -4.391 1.00 0.00 C ATOM 979 C PRO R 77 -4.308 -3.120 -3.783 1.00 0.00 C ATOM 980 O PRO R 77 -3.536 -4.001 -3.459 1.00 0.00 O ATOM 981 CB PRO R 77 -4.462 -1.558 -5.756 1.00 0.00 C ATOM 982 CG PRO R 77 -3.334 -1.498 -6.819 1.00 0.00 C ATOM 983 CD PRO R 77 -1.997 -1.726 -6.097 1.00 0.00 C ATOM 0 HA PRO R 77 -4.037 -1.019 -3.675 1.00 0.00 H new ATOM 0 HB2 PRO R 77 -5.168 -2.355 -5.992 1.00 0.00 H new ATOM 0 HB3 PRO R 77 -5.026 -0.626 -5.744 1.00 0.00 H new ATOM 0 HG2 PRO R 77 -3.489 -2.258 -7.585 1.00 0.00 H new ATOM 0 HG3 PRO R 77 -3.336 -0.532 -7.324 1.00 0.00 H new ATOM 0 HD2 PRO R 77 -1.484 -2.607 -6.483 1.00 0.00 H new ATOM 0 HD3 PRO R 77 -1.324 -0.880 -6.234 1.00 0.00 H new ATOM 991 N ARG R 78 -5.596 -3.257 -3.625 1.00 0.00 N ATOM 992 CA ARG R 78 -6.147 -4.511 -3.039 1.00 0.00 C ATOM 993 C ARG R 78 -6.891 -5.298 -4.119 1.00 0.00 C ATOM 994 O ARG R 78 -7.621 -4.741 -4.915 1.00 0.00 O ATOM 995 CB ARG R 78 -7.113 -4.163 -1.905 1.00 0.00 C ATOM 996 CG ARG R 78 -6.970 -5.191 -0.781 1.00 0.00 C ATOM 997 CD ARG R 78 -8.109 -5.013 0.225 1.00 0.00 C ATOM 998 NE ARG R 78 -8.191 -6.218 1.098 1.00 0.00 N ATOM 999 CZ ARG R 78 -7.286 -6.426 2.017 1.00 0.00 C ATOM 1000 NH1 ARG R 78 -6.306 -5.577 2.177 1.00 0.00 N ATOM 1001 NH2 ARG R 78 -7.360 -7.485 2.775 1.00 0.00 N ATOM 0 H ARG R 78 -6.291 -2.554 -3.877 1.00 0.00 H new ATOM 0 HA ARG R 78 -5.330 -5.117 -2.648 1.00 0.00 H new ATOM 0 HB2 ARG R 78 -6.902 -3.163 -1.527 1.00 0.00 H new ATOM 0 HB3 ARG R 78 -8.138 -4.154 -2.276 1.00 0.00 H new ATOM 0 HG2 ARG R 78 -6.989 -6.200 -1.193 1.00 0.00 H new ATOM 0 HG3 ARG R 78 -6.008 -5.068 -0.282 1.00 0.00 H new ATOM 0 HD2 ARG R 78 -7.939 -4.123 0.830 1.00 0.00 H new ATOM 0 HD3 ARG R 78 -9.053 -4.866 -0.300 1.00 0.00 H new ATOM 0 HE ARG R 78 -8.956 -6.882 0.978 1.00 0.00 H new ATOM 0 HH11 ARG R 78 -6.246 -4.749 1.584 1.00 0.00 H new ATOM 0 HH12 ARG R 78 -5.601 -5.742 2.895 1.00 0.00 H new ATOM 0 HH21 ARG R 78 -8.124 -8.149 2.650 1.00 0.00 H new ATOM 0 HH22 ARG R 78 -6.654 -7.649 3.493 1.00 0.00 H new ATOM 1015 N TYR R 79 -6.710 -6.590 -4.154 1.00 0.00 N ATOM 1016 CA TYR R 79 -7.407 -7.414 -5.182 1.00 0.00 C ATOM 1017 C TYR R 79 -7.779 -8.771 -4.582 1.00 0.00 C ATOM 1018 O TYR R 79 -8.095 -8.809 -3.405 1.00 0.00 O ATOM 1019 CB TYR R 79 -6.480 -7.624 -6.382 1.00 0.00 C ATOM 1020 CG TYR R 79 -6.727 -6.525 -7.416 1.00 0.00 C ATOM 1021 CD1 TYR R 79 -6.119 -5.293 -7.288 1.00 0.00 C ATOM 1022 CD2 TYR R 79 -7.562 -6.751 -8.492 1.00 0.00 C ATOM 1023 CE1 TYR R 79 -6.343 -4.301 -8.222 1.00 0.00 C ATOM 1024 CE2 TYR R 79 -7.786 -5.759 -9.424 1.00 0.00 C ATOM 1025 CZ TYR R 79 -7.178 -4.526 -9.297 1.00 0.00 C ATOM 1026 OH TYR R 79 -7.402 -3.535 -10.230 1.00 0.00 O ATOM 1027 OXT TYR R 79 -7.740 -9.749 -5.310 1.00 0.00 O ATOM 0 H TYR R 79 -6.109 -7.111 -3.515 1.00 0.00 H new ATOM 0 HA TYR R 79 -8.312 -6.900 -5.507 1.00 0.00 H new ATOM 0 HB2 TYR R 79 -5.439 -7.606 -6.058 1.00 0.00 H new ATOM 0 HB3 TYR R 79 -6.659 -8.603 -6.826 1.00 0.00 H new ATOM 0 HD1 TYR R 79 -5.463 -5.103 -6.451 1.00 0.00 H new ATOM 0 HD2 TYR R 79 -8.043 -7.711 -8.605 1.00 0.00 H new ATOM 0 HE1 TYR R 79 -5.861 -3.341 -8.110 1.00 0.00 H new ATOM 0 HE2 TYR R 79 -8.443 -5.949 -10.260 1.00 0.00 H new ATOM 0 HH TYR R 79 -8.015 -3.867 -10.919 1.00 0.00 H new TER 1037 TYR R 79