USER MOD reduce.3.24.130724 H: found=0, std=0, add=1125, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1125 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 11 THR OG1 : rot 180:sc= 0.0255 USER MOD Set 1.2: A 76 HIS : no HE2:sc= 0.702 K(o=0.73,f=-6.3!) USER MOD Set 2.1: A 10 TYR OH : rot 180:sc= 1.02 USER MOD Set 2.2: A 121 ASN : amide:sc= 1.51 K(o=2.5,f=-7.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -67:sc= -0.455! USER MOD Single : A 7 TYR OH : rot -130:sc= -0.137 USER MOD Single : A 14 SER OG : rot 78:sc= 1.06 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -2.55! K(o=-2.6!,f=-0.17) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot -138:sc= 0.552 USER MOD Single : A 28 LYS NZ :NH3+ -144:sc= 1.23 (180deg=0.86) USER MOD Single : A 31 LYS NZ :NH3+ 151:sc= 1.17 (180deg=0.0123) USER MOD Single : A 33 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-0.73) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 163:sc= 1.16 (180deg=0.348) USER MOD Single : A 42 ASN : amide:sc= -0.0309 K(o=-0.031,f=-2.6!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -161:sc= -0.116 (180deg=-0.661) USER MOD Single : A 50 ASN : amide:sc= -1.01 K(o=-1,f=-0.031) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -161:sc= 1.29 (180deg=1.03) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.33! K(o=-1.3!,f=-0.036) USER MOD Single : A 71 LYS NZ :NH3+ -164:sc= -0.0525 (180deg=-0.331) USER MOD Single : A 78 TYR OH : rot -142:sc= 1.21 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -155:sc= -0.169 (180deg=-0.675) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 96 THR OG1 : rot -170:sc= 0.111 USER MOD Single : A 97 GLN : amide:sc= -0.647 X(o=-0.65,f=-0.28) USER MOD Single : A 99 TYR OH : rot 30:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 MET CE :methyl 140:sc= -0.252 (180deg=-3.32!) USER MOD Single : A 104 ASN : amide:sc= -2.23! K(o=-2.2!,f=-0.15) USER MOD Single : A 105 GLN : amide:sc= -1.36! K(o=-1.4!,f=-0.13) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 17:sc= 0.501 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0485) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 119 SER OG : rot -38:sc= 0.718 USER MOD Single : A 124 ASN : amide:sc= -0.292 K(o=-0.29,f=-2.6!) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 MET CE :methyl 138:sc= -0.151 (180deg=-0.654) USER MOD Single : A 130 LYS NZ :NH3+ -153:sc= 1.23 (180deg=1.06) USER MOD Single : A 132 LYS NZ :NH3+ 161:sc= 1.18 (180deg=0.903) USER MOD Single : A 133 SER OG : rot 85:sc= 1.23 USER MOD Single : A 142 HIS : no HD1:sc= -0.012 X(o=-0.012,f=-0.0085) USER MOD Single : A 143 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 144 HIS : no HD1:sc= -0.0108 X(o=-0.011,f=-0.011) USER MOD Single : A 145 HIS : no HD1:sc= -0.569 K(o=-0.57,f=-0.0052) USER MOD Single : A 146 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 147 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.432 16.709 0.987 1.00 33.23 N ATOM 2 CA MET A 1 -17.369 16.749 -0.040 1.00 12.43 C ATOM 3 C MET A 1 -16.477 15.519 0.084 1.00 1.34 C ATOM 4 O MET A 1 -15.473 15.539 0.796 1.00 64.42 O ATOM 5 CB MET A 1 -16.539 18.027 0.111 1.00 62.12 C ATOM 6 CG MET A 1 -15.489 18.210 -0.972 1.00 3.40 C ATOM 7 SD MET A 1 -14.524 19.719 -0.750 1.00 14.14 S ATOM 8 CE MET A 1 -13.419 19.624 -2.156 1.00 13.34 C ATOM 0 H1 MET A 1 -19.035 17.551 0.895 1.00 33.23 H new ATOM 0 H2 MET A 1 -19.009 15.854 0.856 1.00 33.23 H new ATOM 0 H3 MET A 1 -18.000 16.694 1.933 1.00 33.23 H new ATOM 0 HA MET A 1 -17.830 16.748 -1.028 1.00 12.43 H new ATOM 0 HB2 MET A 1 -17.209 18.887 0.103 1.00 62.12 H new ATOM 0 HB3 MET A 1 -16.046 18.016 1.083 1.00 62.12 H new ATOM 0 HG2 MET A 1 -14.819 17.351 -0.973 1.00 3.40 H new ATOM 0 HG3 MET A 1 -15.977 18.234 -1.946 1.00 3.40 H new ATOM 0 HE1 MET A 1 -12.757 20.490 -2.158 1.00 13.34 H new ATOM 0 HE2 MET A 1 -12.824 18.713 -2.090 1.00 13.34 H new ATOM 0 HE3 MET A 1 -14.002 19.611 -3.077 1.00 13.34 H new ATOM 20 N ASP A 2 -16.863 14.442 -0.587 1.00 72.33 N ATOM 21 CA ASP A 2 -16.136 13.183 -0.495 1.00 33.50 C ATOM 22 C ASP A 2 -15.333 12.906 -1.755 1.00 20.12 C ATOM 23 O ASP A 2 -15.891 12.502 -2.775 1.00 2.20 O ATOM 24 CB ASP A 2 -17.088 12.012 -0.230 1.00 21.34 C ATOM 25 CG ASP A 2 -17.531 11.926 1.216 1.00 61.42 C ATOM 26 OD1 ASP A 2 -16.772 11.368 2.037 1.00 13.45 O ATOM 27 OD2 ASP A 2 -18.639 12.397 1.538 1.00 13.32 O ATOM 0 H ASP A 2 -17.677 14.415 -1.202 1.00 72.33 H new ATOM 0 HA ASP A 2 -15.446 13.279 0.343 1.00 33.50 H new ATOM 0 HB2 ASP A 2 -17.966 12.113 -0.868 1.00 21.34 H new ATOM 0 HB3 ASP A 2 -16.596 11.080 -0.510 1.00 21.34 H new ATOM 32 N ASP A 3 -14.027 13.142 -1.663 1.00 31.44 N ATOM 33 CA ASP A 3 -13.071 12.808 -2.723 1.00 21.34 C ATOM 34 C ASP A 3 -13.432 13.468 -4.052 1.00 43.13 C ATOM 35 O ASP A 3 -14.003 12.835 -4.943 1.00 41.43 O ATOM 36 CB ASP A 3 -12.959 11.287 -2.909 1.00 73.45 C ATOM 37 CG ASP A 3 -12.575 10.546 -1.642 1.00 1.43 C ATOM 38 OD1 ASP A 3 -11.761 11.071 -0.855 1.00 1.51 O ATOM 39 OD2 ASP A 3 -13.082 9.418 -1.430 1.00 12.11 O ATOM 0 H ASP A 3 -13.596 13.574 -0.846 1.00 31.44 H new ATOM 0 HA ASP A 3 -12.104 13.199 -2.405 1.00 21.34 H new ATOM 0 HB2 ASP A 3 -13.913 10.902 -3.270 1.00 73.45 H new ATOM 0 HB3 ASP A 3 -12.218 11.077 -3.681 1.00 73.45 H new ATOM 44 N ARG A 4 -13.086 14.741 -4.191 1.00 24.03 N ATOM 45 CA ARG A 4 -13.393 15.474 -5.410 1.00 52.40 C ATOM 46 C ARG A 4 -12.164 15.672 -6.279 1.00 43.22 C ATOM 47 O ARG A 4 -12.276 16.013 -7.458 1.00 2.05 O ATOM 48 CB ARG A 4 -14.033 16.827 -5.101 1.00 24.30 C ATOM 49 CG ARG A 4 -15.539 16.758 -4.922 1.00 61.03 C ATOM 50 CD ARG A 4 -16.157 18.144 -4.970 1.00 63.05 C ATOM 51 NE ARG A 4 -17.607 18.091 -5.135 1.00 41.34 N ATOM 52 CZ ARG A 4 -18.230 18.336 -6.287 1.00 54.44 C ATOM 53 NH1 ARG A 4 -17.526 18.623 -7.374 1.00 33.14 N ATOM 54 NH2 ARG A 4 -19.554 18.290 -6.357 1.00 12.04 N ATOM 0 H ARG A 4 -12.596 15.284 -3.480 1.00 24.03 H new ATOM 0 HA ARG A 4 -14.107 14.866 -5.965 1.00 52.40 H new ATOM 0 HB2 ARG A 4 -13.586 17.233 -4.194 1.00 24.30 H new ATOM 0 HB3 ARG A 4 -13.803 17.522 -5.909 1.00 24.30 H new ATOM 0 HG2 ARG A 4 -15.973 16.135 -5.704 1.00 61.03 H new ATOM 0 HG3 ARG A 4 -15.774 16.284 -3.969 1.00 61.03 H new ATOM 0 HD2 ARG A 4 -15.916 18.680 -4.052 1.00 63.05 H new ATOM 0 HD3 ARG A 4 -15.719 18.708 -5.793 1.00 63.05 H new ATOM 0 HE ARG A 4 -18.175 17.853 -4.322 1.00 41.34 H new ATOM 0 HH11 ARG A 4 -16.508 18.656 -7.328 1.00 33.14 H new ATOM 0 HH12 ARG A 4 -18.003 18.811 -8.256 1.00 33.14 H new ATOM 0 HH21 ARG A 4 -20.101 18.066 -5.526 1.00 12.04 H new ATOM 0 HH22 ARG A 4 -20.025 18.479 -7.242 1.00 12.04 H new ATOM 68 N THR A 5 -11.001 15.472 -5.708 1.00 74.45 N ATOM 69 CA THR A 5 -9.768 15.606 -6.464 1.00 23.12 C ATOM 70 C THR A 5 -9.227 14.235 -6.849 1.00 73.21 C ATOM 71 O THR A 5 -9.465 13.253 -6.147 1.00 54.23 O ATOM 72 CB THR A 5 -8.697 16.408 -5.692 1.00 12.22 C ATOM 73 OG1 THR A 5 -8.474 15.839 -4.396 1.00 30.30 O ATOM 74 CG2 THR A 5 -9.114 17.864 -5.540 1.00 11.25 C ATOM 0 H THR A 5 -10.877 15.217 -4.728 1.00 74.45 H new ATOM 0 HA THR A 5 -10.004 16.164 -7.370 1.00 23.12 H new ATOM 0 HB THR A 5 -7.772 16.362 -6.267 1.00 12.22 H new ATOM 0 HG1 THR A 5 -9.278 15.950 -3.847 1.00 30.30 H new ATOM 0 HG21 THR A 5 -8.344 18.408 -4.993 1.00 11.25 H new ATOM 0 HG22 THR A 5 -9.243 18.310 -6.526 1.00 11.25 H new ATOM 0 HG23 THR A 5 -10.055 17.918 -4.992 1.00 11.25 H new ATOM 82 N GLU A 6 -8.523 14.173 -7.975 1.00 43.51 N ATOM 83 CA GLU A 6 -8.000 12.912 -8.486 1.00 3.15 C ATOM 84 C GLU A 6 -7.040 12.272 -7.489 1.00 23.43 C ATOM 85 O GLU A 6 -6.413 12.956 -6.678 1.00 5.01 O ATOM 86 CB GLU A 6 -7.327 13.132 -9.841 1.00 22.04 C ATOM 87 CG GLU A 6 -6.243 14.192 -9.819 1.00 32.44 C ATOM 88 CD GLU A 6 -6.176 14.960 -11.119 1.00 42.30 C ATOM 89 OE1 GLU A 6 -5.605 14.440 -12.098 1.00 24.02 O ATOM 90 OE2 GLU A 6 -6.708 16.088 -11.166 1.00 23.33 O ATOM 0 H GLU A 6 -8.301 14.984 -8.552 1.00 43.51 H new ATOM 0 HA GLU A 6 -8.832 12.222 -8.624 1.00 3.15 H new ATOM 0 HB2 GLU A 6 -6.895 12.190 -10.179 1.00 22.04 H new ATOM 0 HB3 GLU A 6 -8.085 13.415 -10.571 1.00 22.04 H new ATOM 0 HG2 GLU A 6 -6.430 14.884 -8.998 1.00 32.44 H new ATOM 0 HG3 GLU A 6 -5.279 13.721 -9.626 1.00 32.44 H new ATOM 97 N TYR A 7 -6.930 10.956 -7.547 1.00 22.04 N ATOM 98 CA TYR A 7 -6.218 10.217 -6.522 1.00 21.43 C ATOM 99 C TYR A 7 -4.876 9.723 -7.034 1.00 52.52 C ATOM 100 O TYR A 7 -4.807 9.054 -8.067 1.00 52.54 O ATOM 101 CB TYR A 7 -7.059 9.024 -6.066 1.00 40.33 C ATOM 102 CG TYR A 7 -8.545 9.305 -6.013 1.00 13.43 C ATOM 103 CD1 TYR A 7 -9.072 10.222 -5.116 1.00 31.13 C ATOM 104 CD2 TYR A 7 -9.422 8.650 -6.867 1.00 20.35 C ATOM 105 CE1 TYR A 7 -10.427 10.479 -5.069 1.00 75.41 C ATOM 106 CE2 TYR A 7 -10.779 8.899 -6.825 1.00 23.14 C ATOM 107 CZ TYR A 7 -11.278 9.814 -5.925 1.00 21.14 C ATOM 108 OH TYR A 7 -12.632 10.052 -5.875 1.00 31.22 O ATOM 0 H TYR A 7 -7.324 10.380 -8.291 1.00 22.04 H new ATOM 0 HA TYR A 7 -6.041 10.888 -5.682 1.00 21.43 H new ATOM 0 HB2 TYR A 7 -6.881 8.187 -6.742 1.00 40.33 H new ATOM 0 HB3 TYR A 7 -6.723 8.712 -5.077 1.00 40.33 H new ATOM 0 HD1 TYR A 7 -8.410 10.745 -4.442 1.00 31.13 H new ATOM 0 HD2 TYR A 7 -9.036 7.933 -7.577 1.00 20.35 H new ATOM 0 HE1 TYR A 7 -10.819 11.198 -4.365 1.00 75.41 H new ATOM 0 HE2 TYR A 7 -11.447 8.378 -7.495 1.00 23.14 H new ATOM 0 HH TYR A 7 -13.112 9.199 -5.827 1.00 31.22 H new ATOM 118 N ASP A 8 -3.823 10.035 -6.292 1.00 21.25 N ATOM 119 CA ASP A 8 -2.486 9.554 -6.606 1.00 14.24 C ATOM 120 C ASP A 8 -2.014 8.618 -5.498 1.00 62.21 C ATOM 121 O ASP A 8 -1.433 9.058 -4.509 1.00 34.23 O ATOM 122 CB ASP A 8 -1.491 10.713 -6.753 1.00 33.20 C ATOM 123 CG ASP A 8 -1.790 11.644 -7.913 1.00 54.11 C ATOM 124 OD1 ASP A 8 -1.572 11.252 -9.080 1.00 34.21 O ATOM 125 OD2 ASP A 8 -2.210 12.793 -7.659 1.00 42.20 O ATOM 0 H ASP A 8 -3.871 10.625 -5.461 1.00 21.25 H new ATOM 0 HA ASP A 8 -2.530 9.023 -7.557 1.00 14.24 H new ATOM 0 HB2 ASP A 8 -1.485 11.292 -5.829 1.00 33.20 H new ATOM 0 HB3 ASP A 8 -0.489 10.303 -6.879 1.00 33.20 H new ATOM 130 N VAL A 9 -2.291 7.333 -5.656 1.00 33.14 N ATOM 131 CA VAL A 9 -1.958 6.341 -4.636 1.00 44.24 C ATOM 132 C VAL A 9 -0.639 5.663 -4.977 1.00 23.43 C ATOM 133 O VAL A 9 -0.529 4.977 -5.989 1.00 42.12 O ATOM 134 CB VAL A 9 -3.062 5.269 -4.510 1.00 72.22 C ATOM 135 CG1 VAL A 9 -2.745 4.296 -3.385 1.00 12.13 C ATOM 136 CG2 VAL A 9 -4.419 5.919 -4.288 1.00 32.10 C ATOM 0 H VAL A 9 -2.747 6.948 -6.483 1.00 33.14 H new ATOM 0 HA VAL A 9 -1.872 6.864 -3.683 1.00 44.24 H new ATOM 0 HB VAL A 9 -3.098 4.709 -5.444 1.00 72.22 H new ATOM 0 HG11 VAL A 9 -3.537 3.550 -3.315 1.00 12.13 H new ATOM 0 HG12 VAL A 9 -1.796 3.800 -3.589 1.00 12.13 H new ATOM 0 HG13 VAL A 9 -2.675 4.840 -2.443 1.00 12.13 H new ATOM 0 HG21 VAL A 9 -5.183 5.146 -4.202 1.00 32.10 H new ATOM 0 HG22 VAL A 9 -4.394 6.509 -3.372 1.00 32.10 H new ATOM 0 HG23 VAL A 9 -4.654 6.569 -5.131 1.00 32.10 H new ATOM 146 N TYR A 10 0.368 5.861 -4.142 1.00 50.01 N ATOM 147 CA TYR A 10 1.669 5.267 -4.395 1.00 11.15 C ATOM 148 C TYR A 10 2.357 4.814 -3.118 1.00 2.22 C ATOM 149 O TYR A 10 2.699 5.616 -2.255 1.00 4.24 O ATOM 150 CB TYR A 10 2.577 6.232 -5.166 1.00 33.35 C ATOM 151 CG TYR A 10 2.230 7.698 -5.014 1.00 1.22 C ATOM 152 CD1 TYR A 10 2.280 8.338 -3.780 1.00 42.00 C ATOM 153 CD2 TYR A 10 1.852 8.442 -6.120 1.00 14.02 C ATOM 154 CE1 TYR A 10 1.956 9.678 -3.661 1.00 21.51 C ATOM 155 CE2 TYR A 10 1.533 9.776 -6.010 1.00 0.41 C ATOM 156 CZ TYR A 10 1.585 10.391 -4.781 1.00 34.34 C ATOM 157 OH TYR A 10 1.252 11.721 -4.674 1.00 43.52 O ATOM 0 H TYR A 10 0.311 6.422 -3.292 1.00 50.01 H new ATOM 0 HA TYR A 10 1.491 4.382 -5.006 1.00 11.15 H new ATOM 0 HB2 TYR A 10 3.605 6.082 -4.836 1.00 33.35 H new ATOM 0 HB3 TYR A 10 2.541 5.974 -6.224 1.00 33.35 H new ATOM 0 HD1 TYR A 10 2.576 7.782 -2.903 1.00 42.00 H new ATOM 0 HD2 TYR A 10 1.807 7.965 -7.088 1.00 14.02 H new ATOM 0 HE1 TYR A 10 1.994 10.162 -2.696 1.00 21.51 H new ATOM 0 HE2 TYR A 10 1.243 10.338 -6.885 1.00 0.41 H new ATOM 0 HH TYR A 10 1.016 12.071 -5.558 1.00 43.52 H new ATOM 167 N THR A 11 2.544 3.509 -3.010 1.00 11.23 N ATOM 168 CA THR A 11 3.351 2.935 -1.953 1.00 15.03 C ATOM 169 C THR A 11 4.815 2.912 -2.388 1.00 30.32 C ATOM 170 O THR A 11 5.256 1.992 -3.080 1.00 5.11 O ATOM 171 CB THR A 11 2.868 1.509 -1.616 1.00 64.10 C ATOM 172 OG1 THR A 11 2.658 0.765 -2.826 1.00 52.43 O ATOM 173 CG2 THR A 11 1.573 1.551 -0.819 1.00 64.52 C ATOM 0 H THR A 11 2.142 2.824 -3.650 1.00 11.23 H new ATOM 0 HA THR A 11 3.252 3.547 -1.056 1.00 15.03 H new ATOM 0 HB THR A 11 3.635 1.023 -1.014 1.00 64.10 H new ATOM 0 HG1 THR A 11 2.353 -0.140 -2.605 1.00 52.43 H new ATOM 0 HG21 THR A 11 1.252 0.534 -0.593 1.00 64.52 H new ATOM 0 HG22 THR A 11 1.736 2.095 0.111 1.00 64.52 H new ATOM 0 HG23 THR A 11 0.802 2.054 -1.403 1.00 64.52 H new ATOM 181 N ASP A 12 5.551 3.953 -2.031 1.00 73.24 N ATOM 182 CA ASP A 12 6.920 4.111 -2.508 1.00 2.04 C ATOM 183 C ASP A 12 7.863 4.401 -1.345 1.00 1.22 C ATOM 184 O ASP A 12 7.764 5.445 -0.702 1.00 30.14 O ATOM 185 CB ASP A 12 6.972 5.242 -3.542 1.00 44.43 C ATOM 186 CG ASP A 12 8.231 5.225 -4.391 1.00 21.12 C ATOM 187 OD1 ASP A 12 8.230 4.556 -5.450 1.00 3.31 O ATOM 188 OD2 ASP A 12 9.212 5.900 -4.023 1.00 74.22 O ATOM 0 H ASP A 12 5.227 4.699 -1.415 1.00 73.24 H new ATOM 0 HA ASP A 12 7.245 3.183 -2.978 1.00 2.04 H new ATOM 0 HB2 ASP A 12 6.102 5.168 -4.194 1.00 44.43 H new ATOM 0 HB3 ASP A 12 6.903 6.200 -3.026 1.00 44.43 H new ATOM 193 N GLY A 13 8.751 3.456 -1.061 1.00 42.23 N ATOM 194 CA GLY A 13 9.703 3.614 0.024 1.00 51.14 C ATOM 195 C GLY A 13 10.979 2.842 -0.237 1.00 64.14 C ATOM 196 O GLY A 13 10.942 1.749 -0.805 1.00 1.12 O ATOM 0 H GLY A 13 8.829 2.574 -1.568 1.00 42.23 H new ATOM 0 HA2 GLY A 13 9.936 4.671 0.153 1.00 51.14 H new ATOM 0 HA3 GLY A 13 9.254 3.271 0.956 1.00 51.14 H new ATOM 200 N SER A 14 12.104 3.400 0.170 1.00 0.22 N ATOM 201 CA SER A 14 13.394 2.802 -0.122 1.00 44.12 C ATOM 202 C SER A 14 13.844 1.851 0.985 1.00 50.12 C ATOM 203 O SER A 14 13.819 2.198 2.169 1.00 11.40 O ATOM 204 CB SER A 14 14.438 3.899 -0.304 1.00 63.40 C ATOM 205 OG SER A 14 13.914 4.972 -1.069 1.00 1.20 O ATOM 0 H SER A 14 12.151 4.268 0.704 1.00 0.22 H new ATOM 0 HA SER A 14 13.291 2.223 -1.040 1.00 44.12 H new ATOM 0 HB2 SER A 14 14.761 4.265 0.671 1.00 63.40 H new ATOM 0 HB3 SER A 14 15.319 3.490 -0.799 1.00 63.40 H new ATOM 0 HG SER A 14 13.340 5.528 -0.502 1.00 1.20 H new ATOM 211 N TYR A 15 14.243 0.648 0.589 1.00 42.51 N ATOM 212 CA TYR A 15 14.884 -0.291 1.501 1.00 1.00 C ATOM 213 C TYR A 15 16.294 0.205 1.803 1.00 14.24 C ATOM 214 O TYR A 15 16.886 0.920 0.990 1.00 1.11 O ATOM 215 CB TYR A 15 14.931 -1.695 0.882 1.00 34.15 C ATOM 216 CG TYR A 15 15.768 -1.788 -0.375 1.00 72.50 C ATOM 217 CD1 TYR A 15 15.230 -1.472 -1.616 1.00 62.42 C ATOM 218 CD2 TYR A 15 17.098 -2.185 -0.320 1.00 21.15 C ATOM 219 CE1 TYR A 15 15.994 -1.547 -2.764 1.00 3.35 C ATOM 220 CE2 TYR A 15 17.867 -2.264 -1.463 1.00 74.11 C ATOM 221 CZ TYR A 15 17.310 -1.943 -2.682 1.00 60.53 C ATOM 222 OH TYR A 15 18.076 -2.017 -3.823 1.00 4.35 O ATOM 0 H TYR A 15 14.133 0.299 -0.363 1.00 42.51 H new ATOM 0 HA TYR A 15 14.310 -0.352 2.426 1.00 1.00 H new ATOM 0 HB2 TYR A 15 15.325 -2.393 1.621 1.00 34.15 H new ATOM 0 HB3 TYR A 15 13.914 -2.014 0.653 1.00 34.15 H new ATOM 0 HD1 TYR A 15 14.198 -1.163 -1.684 1.00 62.42 H new ATOM 0 HD2 TYR A 15 17.538 -2.436 0.634 1.00 21.15 H new ATOM 0 HE1 TYR A 15 15.561 -1.296 -3.721 1.00 3.35 H new ATOM 0 HE2 TYR A 15 18.899 -2.576 -1.403 1.00 74.11 H new ATOM 0 HH TYR A 15 18.981 -2.311 -3.591 1.00 4.35 H new ATOM 232 N VAL A 16 16.840 -0.161 2.953 1.00 72.44 N ATOM 233 CA VAL A 16 18.156 0.334 3.339 1.00 44.22 C ATOM 234 C VAL A 16 18.848 -0.626 4.312 1.00 72.04 C ATOM 235 O VAL A 16 18.188 -1.396 5.012 1.00 22.33 O ATOM 236 CB VAL A 16 18.059 1.756 3.954 1.00 54.42 C ATOM 237 CG1 VAL A 16 17.368 1.727 5.307 1.00 42.34 C ATOM 238 CG2 VAL A 16 19.429 2.408 4.062 1.00 23.44 C ATOM 0 H VAL A 16 16.402 -0.789 3.627 1.00 72.44 H new ATOM 0 HA VAL A 16 18.762 0.393 2.435 1.00 44.22 H new ATOM 0 HB VAL A 16 17.452 2.360 3.280 1.00 54.42 H new ATOM 0 HG11 VAL A 16 17.316 2.738 5.711 1.00 42.34 H new ATOM 0 HG12 VAL A 16 16.359 1.330 5.192 1.00 42.34 H new ATOM 0 HG13 VAL A 16 17.932 1.092 5.990 1.00 42.34 H new ATOM 0 HG21 VAL A 16 19.326 3.402 4.496 1.00 23.44 H new ATOM 0 HG22 VAL A 16 20.072 1.800 4.698 1.00 23.44 H new ATOM 0 HG23 VAL A 16 19.872 2.490 3.070 1.00 23.44 H new ATOM 248 N ASN A 17 20.184 -0.582 4.320 1.00 64.02 N ATOM 249 CA ASN A 17 21.016 -1.448 5.166 1.00 3.32 C ATOM 250 C ASN A 17 20.826 -2.909 4.786 1.00 42.22 C ATOM 251 O ASN A 17 21.022 -3.805 5.606 1.00 21.12 O ATOM 252 CB ASN A 17 20.714 -1.252 6.662 1.00 13.44 C ATOM 253 CG ASN A 17 21.030 0.148 7.152 1.00 70.44 C ATOM 254 OD1 ASN A 17 22.177 0.470 7.461 1.00 43.12 O ATOM 255 ND2 ASN A 17 20.009 0.983 7.253 1.00 22.44 N ATOM 0 H ASN A 17 20.723 0.058 3.737 1.00 64.02 H new ATOM 0 HA ASN A 17 22.054 -1.163 4.995 1.00 3.32 H new ATOM 0 HB2 ASN A 17 19.661 -1.466 6.846 1.00 13.44 H new ATOM 0 HB3 ASN A 17 21.292 -1.973 7.241 1.00 13.44 H new ATOM 0 HD21 ASN A 17 20.158 1.932 7.597 1.00 22.44 H new ATOM 0 HD22 ASN A 17 19.073 0.678 6.987 1.00 22.44 H new ATOM 262 N GLY A 18 20.474 -3.141 3.524 1.00 72.14 N ATOM 263 CA GLY A 18 20.265 -4.493 3.044 1.00 34.13 C ATOM 264 C GLY A 18 19.004 -5.130 3.603 1.00 13.00 C ATOM 265 O GLY A 18 18.758 -6.320 3.395 1.00 12.34 O ATOM 0 H GLY A 18 20.330 -2.413 2.824 1.00 72.14 H new ATOM 0 HA2 GLY A 18 20.209 -4.482 1.956 1.00 34.13 H new ATOM 0 HA3 GLY A 18 21.125 -5.106 3.313 1.00 34.13 H new ATOM 269 N GLN A 19 18.203 -4.350 4.319 1.00 22.53 N ATOM 270 CA GLN A 19 16.970 -4.857 4.901 1.00 21.30 C ATOM 271 C GLN A 19 15.773 -4.310 4.144 1.00 13.44 C ATOM 272 O GLN A 19 15.838 -3.216 3.581 1.00 61.13 O ATOM 273 CB GLN A 19 16.870 -4.484 6.381 1.00 21.32 C ATOM 274 CG GLN A 19 18.044 -4.978 7.207 1.00 25.31 C ATOM 275 CD GLN A 19 17.822 -4.818 8.695 1.00 1.10 C ATOM 276 OE1 GLN A 19 17.311 -5.722 9.357 1.00 14.02 O ATOM 277 NE2 GLN A 19 18.199 -3.670 9.233 1.00 2.11 N ATOM 0 H GLN A 19 18.387 -3.365 4.509 1.00 22.53 H new ATOM 0 HA GLN A 19 16.977 -5.944 4.822 1.00 21.30 H new ATOM 0 HB2 GLN A 19 16.802 -3.400 6.471 1.00 21.32 H new ATOM 0 HB3 GLN A 19 15.948 -4.896 6.791 1.00 21.32 H new ATOM 0 HG2 GLN A 19 18.224 -6.029 6.982 1.00 25.31 H new ATOM 0 HG3 GLN A 19 18.942 -4.432 6.917 1.00 25.31 H new ATOM 0 HE21 GLN A 19 18.619 -2.947 8.649 1.00 2.11 H new ATOM 0 HE22 GLN A 19 18.070 -3.508 10.232 1.00 2.11 H new ATOM 286 N TYR A 20 14.691 -5.068 4.125 1.00 0.03 N ATOM 287 CA TYR A 20 13.507 -4.677 3.377 1.00 41.24 C ATOM 288 C TYR A 20 12.398 -4.231 4.317 1.00 25.30 C ATOM 289 O TYR A 20 12.159 -4.853 5.356 1.00 34.14 O ATOM 290 CB TYR A 20 12.987 -5.838 2.528 1.00 55.41 C ATOM 291 CG TYR A 20 14.045 -6.557 1.722 1.00 60.15 C ATOM 292 CD1 TYR A 20 14.474 -6.068 0.495 1.00 54.11 C ATOM 293 CD2 TYR A 20 14.597 -7.744 2.185 1.00 41.21 C ATOM 294 CE1 TYR A 20 15.426 -6.745 -0.248 1.00 43.54 C ATOM 295 CE2 TYR A 20 15.550 -8.422 1.454 1.00 5.22 C ATOM 296 CZ TYR A 20 15.960 -7.921 0.238 1.00 53.22 C ATOM 297 OH TYR A 20 16.903 -8.606 -0.496 1.00 61.33 O ATOM 0 H TYR A 20 14.607 -5.957 4.618 1.00 0.03 H new ATOM 0 HA TYR A 20 13.794 -3.850 2.727 1.00 41.24 H new ATOM 0 HB2 TYR A 20 12.497 -6.558 3.183 1.00 55.41 H new ATOM 0 HB3 TYR A 20 12.226 -5.459 1.846 1.00 55.41 H new ATOM 0 HD1 TYR A 20 14.059 -5.146 0.115 1.00 54.11 H new ATOM 0 HD2 TYR A 20 14.274 -8.144 3.135 1.00 41.21 H new ATOM 0 HE1 TYR A 20 15.749 -6.355 -1.202 1.00 43.54 H new ATOM 0 HE2 TYR A 20 15.973 -9.341 1.833 1.00 5.22 H new ATOM 0 HH TYR A 20 17.175 -9.412 -0.009 1.00 61.33 H new ATOM 307 N ALA A 21 11.724 -3.160 3.943 1.00 73.14 N ATOM 308 CA ALA A 21 10.561 -2.692 4.670 1.00 62.43 C ATOM 309 C ALA A 21 9.489 -2.265 3.685 1.00 74.00 C ATOM 310 O ALA A 21 9.771 -1.541 2.730 1.00 53.43 O ATOM 311 CB ALA A 21 10.923 -1.538 5.592 1.00 54.43 C ATOM 0 H ALA A 21 11.966 -2.593 3.131 1.00 73.14 H new ATOM 0 HA ALA A 21 10.182 -3.506 5.288 1.00 62.43 H new ATOM 0 HB1 ALA A 21 10.033 -1.206 6.126 1.00 54.43 H new ATOM 0 HB2 ALA A 21 11.674 -1.868 6.310 1.00 54.43 H new ATOM 0 HB3 ALA A 21 11.322 -0.713 5.002 1.00 54.43 H new ATOM 317 N TRP A 22 8.273 -2.728 3.896 1.00 41.30 N ATOM 318 CA TRP A 22 7.179 -2.336 3.038 1.00 64.51 C ATOM 319 C TRP A 22 6.528 -1.086 3.608 1.00 32.50 C ATOM 320 O TRP A 22 6.189 -1.023 4.791 1.00 53.24 O ATOM 321 CB TRP A 22 6.166 -3.483 2.857 1.00 61.35 C ATOM 322 CG TRP A 22 5.571 -4.020 4.130 1.00 60.31 C ATOM 323 CD1 TRP A 22 6.225 -4.675 5.136 1.00 23.22 C ATOM 324 CD2 TRP A 22 4.191 -3.980 4.514 1.00 13.41 C ATOM 325 NE1 TRP A 22 5.344 -5.017 6.131 1.00 13.41 N ATOM 326 CE2 TRP A 22 4.089 -4.605 5.773 1.00 11.43 C ATOM 327 CE3 TRP A 22 3.032 -3.463 3.923 1.00 13.34 C ATOM 328 CZ2 TRP A 22 2.877 -4.732 6.447 1.00 54.42 C ATOM 329 CZ3 TRP A 22 1.828 -3.592 4.594 1.00 53.20 C ATOM 330 CH2 TRP A 22 1.760 -4.221 5.845 1.00 31.13 C ATOM 0 H TRP A 22 8.021 -3.370 4.648 1.00 41.30 H new ATOM 0 HA TRP A 22 7.563 -2.110 2.043 1.00 64.51 H new ATOM 0 HB2 TRP A 22 5.357 -3.134 2.216 1.00 61.35 H new ATOM 0 HB3 TRP A 22 6.658 -4.301 2.332 1.00 61.35 H new ATOM 0 HD1 TRP A 22 7.283 -4.892 5.146 1.00 23.22 H new ATOM 0 HE1 TRP A 22 5.585 -5.500 6.997 1.00 13.41 H new ATOM 0 HE3 TRP A 22 3.076 -2.973 2.962 1.00 13.34 H new ATOM 0 HZ2 TRP A 22 2.821 -5.217 7.411 1.00 54.42 H new ATOM 0 HZ3 TRP A 22 0.926 -3.202 4.146 1.00 53.20 H new ATOM 0 HH2 TRP A 22 0.806 -4.304 6.344 1.00 31.13 H new ATOM 341 N ALA A 23 6.376 -0.086 2.761 1.00 11.22 N ATOM 342 CA ALA A 23 5.848 1.196 3.181 1.00 2.40 C ATOM 343 C ALA A 23 4.565 1.494 2.432 1.00 40.30 C ATOM 344 O ALA A 23 4.486 1.283 1.219 1.00 73.01 O ATOM 345 CB ALA A 23 6.877 2.289 2.937 1.00 15.12 C ATOM 0 H ALA A 23 6.613 -0.139 1.770 1.00 11.22 H new ATOM 0 HA ALA A 23 5.628 1.162 4.248 1.00 2.40 H new ATOM 0 HB1 ALA A 23 6.471 3.249 3.256 1.00 15.12 H new ATOM 0 HB2 ALA A 23 7.781 2.071 3.505 1.00 15.12 H new ATOM 0 HB3 ALA A 23 7.118 2.332 1.875 1.00 15.12 H new ATOM 351 N TYR A 24 3.562 1.982 3.142 1.00 62.11 N ATOM 352 CA TYR A 24 2.278 2.239 2.525 1.00 63.13 C ATOM 353 C TYR A 24 1.669 3.546 3.000 1.00 4.52 C ATOM 354 O TYR A 24 1.717 3.889 4.184 1.00 22.23 O ATOM 355 CB TYR A 24 1.312 1.071 2.780 1.00 61.41 C ATOM 356 CG TYR A 24 1.140 0.701 4.242 1.00 32.20 C ATOM 357 CD1 TYR A 24 2.054 -0.130 4.879 1.00 61.55 C ATOM 358 CD2 TYR A 24 0.062 1.174 4.980 1.00 61.14 C ATOM 359 CE1 TYR A 24 1.900 -0.477 6.208 1.00 62.25 C ATOM 360 CE2 TYR A 24 -0.099 0.831 6.311 1.00 63.54 C ATOM 361 CZ TYR A 24 0.824 0.005 6.919 1.00 64.04 C ATOM 362 OH TYR A 24 0.669 -0.340 8.242 1.00 30.31 O ATOM 0 H TYR A 24 3.613 2.205 4.136 1.00 62.11 H new ATOM 0 HA TYR A 24 2.447 2.330 1.452 1.00 63.13 H new ATOM 0 HB2 TYR A 24 0.336 1.327 2.366 1.00 61.41 H new ATOM 0 HB3 TYR A 24 1.669 0.196 2.237 1.00 61.41 H new ATOM 0 HD1 TYR A 24 2.900 -0.511 4.326 1.00 61.55 H new ATOM 0 HD2 TYR A 24 -0.663 1.820 4.507 1.00 61.14 H new ATOM 0 HE1 TYR A 24 2.621 -1.123 6.687 1.00 62.25 H new ATOM 0 HE2 TYR A 24 -0.942 1.208 6.871 1.00 63.54 H new ATOM 0 HH TYR A 24 -0.274 -0.541 8.419 1.00 30.31 H new ATOM 372 N ALA A 25 1.105 4.266 2.048 1.00 43.11 N ATOM 373 CA ALA A 25 0.374 5.486 2.317 1.00 70.25 C ATOM 374 C ALA A 25 -0.692 5.663 1.250 1.00 44.34 C ATOM 375 O ALA A 25 -0.397 6.049 0.119 1.00 23.23 O ATOM 376 CB ALA A 25 1.312 6.687 2.350 1.00 24.14 C ATOM 0 H ALA A 25 1.143 4.017 1.060 1.00 43.11 H new ATOM 0 HA ALA A 25 -0.099 5.416 3.297 1.00 70.25 H new ATOM 0 HB1 ALA A 25 0.738 7.591 2.554 1.00 24.14 H new ATOM 0 HB2 ALA A 25 2.057 6.546 3.133 1.00 24.14 H new ATOM 0 HB3 ALA A 25 1.813 6.784 1.387 1.00 24.14 H new ATOM 382 N PHE A 26 -1.925 5.344 1.600 1.00 2.32 N ATOM 383 CA PHE A 26 -3.022 5.444 0.652 1.00 51.52 C ATOM 384 C PHE A 26 -3.606 6.839 0.693 1.00 54.31 C ATOM 385 O PHE A 26 -4.416 7.162 1.564 1.00 42.23 O ATOM 386 CB PHE A 26 -4.108 4.410 0.961 1.00 43.33 C ATOM 387 CG PHE A 26 -3.597 2.998 1.035 1.00 14.23 C ATOM 388 CD1 PHE A 26 -3.288 2.297 -0.118 1.00 53.45 C ATOM 389 CD2 PHE A 26 -3.422 2.374 2.261 1.00 32.21 C ATOM 390 CE1 PHE A 26 -2.813 1.000 -0.052 1.00 45.23 C ATOM 391 CE2 PHE A 26 -2.949 1.080 2.334 1.00 10.31 C ATOM 392 CZ PHE A 26 -2.643 0.391 1.176 1.00 71.01 C ATOM 0 H PHE A 26 -2.192 5.015 2.528 1.00 2.32 H new ATOM 0 HA PHE A 26 -2.636 5.242 -0.347 1.00 51.52 H new ATOM 0 HB2 PHE A 26 -4.581 4.666 1.909 1.00 43.33 H new ATOM 0 HB3 PHE A 26 -4.880 4.467 0.194 1.00 43.33 H new ATOM 0 HD1 PHE A 26 -3.419 2.769 -1.081 1.00 53.45 H new ATOM 0 HD2 PHE A 26 -3.659 2.907 3.170 1.00 32.21 H new ATOM 0 HE1 PHE A 26 -2.575 0.464 -0.959 1.00 45.23 H new ATOM 0 HE2 PHE A 26 -2.818 0.606 3.296 1.00 10.31 H new ATOM 0 HZ PHE A 26 -2.272 -0.622 1.231 1.00 71.01 H new ATOM 402 N VAL A 27 -3.176 7.664 -0.240 1.00 32.54 N ATOM 403 CA VAL A 27 -3.614 9.040 -0.299 1.00 50.32 C ATOM 404 C VAL A 27 -4.536 9.266 -1.494 1.00 64.44 C ATOM 405 O VAL A 27 -4.123 9.192 -2.650 1.00 4.44 O ATOM 406 CB VAL A 27 -2.406 10.011 -0.335 1.00 24.31 C ATOM 407 CG1 VAL A 27 -1.381 9.587 -1.377 1.00 63.01 C ATOM 408 CG2 VAL A 27 -2.858 11.440 -0.586 1.00 24.45 C ATOM 0 H VAL A 27 -2.518 7.400 -0.973 1.00 32.54 H new ATOM 0 HA VAL A 27 -4.181 9.251 0.608 1.00 50.32 H new ATOM 0 HB VAL A 27 -1.929 9.969 0.644 1.00 24.31 H new ATOM 0 HG11 VAL A 27 -0.548 10.290 -1.375 1.00 63.01 H new ATOM 0 HG12 VAL A 27 -1.014 8.588 -1.141 1.00 63.01 H new ATOM 0 HG13 VAL A 27 -1.846 9.579 -2.363 1.00 63.01 H new ATOM 0 HG21 VAL A 27 -1.989 12.098 -0.606 1.00 24.45 H new ATOM 0 HG22 VAL A 27 -3.377 11.495 -1.543 1.00 24.45 H new ATOM 0 HG23 VAL A 27 -3.533 11.754 0.211 1.00 24.45 H new ATOM 418 N LYS A 28 -5.802 9.506 -1.205 1.00 51.21 N ATOM 419 CA LYS A 28 -6.774 9.827 -2.233 1.00 22.21 C ATOM 420 C LYS A 28 -7.416 11.162 -1.901 1.00 12.03 C ATOM 421 O LYS A 28 -7.734 11.423 -0.741 1.00 12.32 O ATOM 422 CB LYS A 28 -7.839 8.725 -2.358 1.00 23.25 C ATOM 423 CG LYS A 28 -8.737 8.569 -1.139 1.00 54.53 C ATOM 424 CD LYS A 28 -9.888 7.604 -1.402 1.00 71.43 C ATOM 425 CE LYS A 28 -10.627 7.954 -2.689 1.00 50.11 C ATOM 426 NZ LYS A 28 -11.997 7.374 -2.732 1.00 43.31 N ATOM 0 H LYS A 28 -6.183 9.484 -0.259 1.00 51.21 H new ATOM 0 HA LYS A 28 -6.267 9.894 -3.196 1.00 22.21 H new ATOM 0 HB2 LYS A 28 -8.462 8.937 -3.227 1.00 23.25 H new ATOM 0 HB3 LYS A 28 -7.339 7.775 -2.548 1.00 23.25 H new ATOM 0 HG2 LYS A 28 -8.146 8.209 -0.296 1.00 54.53 H new ATOM 0 HG3 LYS A 28 -9.137 9.543 -0.855 1.00 54.53 H new ATOM 0 HD2 LYS A 28 -9.503 6.586 -1.467 1.00 71.43 H new ATOM 0 HD3 LYS A 28 -10.584 7.629 -0.563 1.00 71.43 H new ATOM 0 HE2 LYS A 28 -10.691 9.038 -2.785 1.00 50.11 H new ATOM 0 HE3 LYS A 28 -10.055 7.592 -3.543 1.00 50.11 H new ATOM 0 HZ1 LYS A 28 -12.222 7.087 -3.706 1.00 43.31 H new ATOM 0 HZ2 LYS A 28 -12.042 6.544 -2.108 1.00 43.31 H new ATOM 0 HZ3 LYS A 28 -12.685 8.085 -2.412 1.00 43.31 H new ATOM 440 N ASP A 29 -7.562 12.020 -2.910 1.00 64.21 N ATOM 441 CA ASP A 29 -8.130 13.358 -2.719 1.00 35.35 C ATOM 442 C ASP A 29 -7.213 14.193 -1.817 1.00 44.15 C ATOM 443 O ASP A 29 -7.612 15.202 -1.243 1.00 22.54 O ATOM 444 CB ASP A 29 -9.548 13.248 -2.128 1.00 72.12 C ATOM 445 CG ASP A 29 -10.259 14.581 -1.983 1.00 73.21 C ATOM 446 OD1 ASP A 29 -10.589 15.203 -3.015 1.00 14.34 O ATOM 447 OD2 ASP A 29 -10.522 14.994 -0.834 1.00 62.42 O ATOM 0 H ASP A 29 -7.294 11.813 -3.872 1.00 64.21 H new ATOM 0 HA ASP A 29 -8.204 13.861 -3.683 1.00 35.35 H new ATOM 0 HB2 ASP A 29 -10.146 12.595 -2.764 1.00 72.12 H new ATOM 0 HB3 ASP A 29 -9.487 12.771 -1.150 1.00 72.12 H new ATOM 452 N GLY A 30 -5.957 13.769 -1.722 1.00 63.32 N ATOM 453 CA GLY A 30 -5.006 14.440 -0.857 1.00 74.42 C ATOM 454 C GLY A 30 -5.110 13.975 0.581 1.00 54.51 C ATOM 455 O GLY A 30 -4.406 14.471 1.460 1.00 72.22 O ATOM 0 H GLY A 30 -5.580 12.969 -2.231 1.00 63.32 H new ATOM 0 HA2 GLY A 30 -3.995 14.260 -1.223 1.00 74.42 H new ATOM 0 HA3 GLY A 30 -5.174 15.516 -0.902 1.00 74.42 H new ATOM 459 N LYS A 31 -5.983 13.008 0.818 1.00 23.32 N ATOM 460 CA LYS A 31 -6.217 12.499 2.158 1.00 34.41 C ATOM 461 C LYS A 31 -5.563 11.140 2.326 1.00 63.15 C ATOM 462 O LYS A 31 -5.813 10.217 1.548 1.00 73.54 O ATOM 463 CB LYS A 31 -7.713 12.377 2.421 1.00 65.35 C ATOM 464 CG LYS A 31 -8.523 13.549 1.901 1.00 71.23 C ATOM 465 CD LYS A 31 -8.170 14.843 2.611 1.00 14.42 C ATOM 466 CE LYS A 31 -8.882 16.027 1.981 1.00 2.14 C ATOM 467 NZ LYS A 31 -10.331 15.758 1.777 1.00 33.44 N ATOM 0 H LYS A 31 -6.544 12.559 0.094 1.00 23.32 H new ATOM 0 HA LYS A 31 -5.782 13.198 2.872 1.00 34.41 H new ATOM 0 HB2 LYS A 31 -8.080 11.460 1.959 1.00 65.35 H new ATOM 0 HB3 LYS A 31 -7.877 12.281 3.494 1.00 65.35 H new ATOM 0 HG2 LYS A 31 -8.349 13.663 0.831 1.00 71.23 H new ATOM 0 HG3 LYS A 31 -9.585 13.342 2.031 1.00 71.23 H new ATOM 0 HD2 LYS A 31 -8.443 14.769 3.664 1.00 14.42 H new ATOM 0 HD3 LYS A 31 -7.092 15.000 2.571 1.00 14.42 H new ATOM 0 HE2 LYS A 31 -8.762 16.904 2.617 1.00 2.14 H new ATOM 0 HE3 LYS A 31 -8.418 16.262 1.023 1.00 2.14 H new ATOM 0 HZ1 LYS A 31 -10.860 16.652 1.826 1.00 33.44 H new ATOM 0 HZ2 LYS A 31 -10.475 15.321 0.844 1.00 33.44 H new ATOM 0 HZ3 LYS A 31 -10.672 15.113 2.518 1.00 33.44 H new ATOM 481 N VAL A 32 -4.731 11.024 3.340 1.00 41.24 N ATOM 482 CA VAL A 32 -4.034 9.779 3.617 1.00 32.02 C ATOM 483 C VAL A 32 -4.862 8.919 4.563 1.00 12.12 C ATOM 484 O VAL A 32 -4.991 9.231 5.746 1.00 32.02 O ATOM 485 CB VAL A 32 -2.638 10.028 4.230 1.00 40.03 C ATOM 486 CG1 VAL A 32 -1.866 8.722 4.361 1.00 14.14 C ATOM 487 CG2 VAL A 32 -1.858 11.031 3.394 1.00 62.41 C ATOM 0 H VAL A 32 -4.518 11.780 3.991 1.00 41.24 H new ATOM 0 HA VAL A 32 -3.897 9.260 2.669 1.00 32.02 H new ATOM 0 HB VAL A 32 -2.773 10.445 5.228 1.00 40.03 H new ATOM 0 HG11 VAL A 32 -0.886 8.921 4.795 1.00 14.14 H new ATOM 0 HG12 VAL A 32 -2.416 8.037 5.006 1.00 14.14 H new ATOM 0 HG13 VAL A 32 -1.742 8.272 3.376 1.00 14.14 H new ATOM 0 HG21 VAL A 32 -0.878 11.193 3.842 1.00 62.41 H new ATOM 0 HG22 VAL A 32 -1.735 10.644 2.382 1.00 62.41 H new ATOM 0 HG23 VAL A 32 -2.401 11.975 3.358 1.00 62.41 H new ATOM 497 N HIS A 33 -5.433 7.849 4.031 1.00 31.33 N ATOM 498 CA HIS A 33 -6.317 6.985 4.806 1.00 52.43 C ATOM 499 C HIS A 33 -5.506 6.096 5.749 1.00 63.14 C ATOM 500 O HIS A 33 -5.978 5.725 6.820 1.00 74.00 O ATOM 501 CB HIS A 33 -7.174 6.132 3.861 1.00 73.25 C ATOM 502 CG HIS A 33 -8.365 5.492 4.515 1.00 2.05 C ATOM 503 ND1 HIS A 33 -8.948 4.331 4.045 1.00 54.03 N ATOM 504 CD2 HIS A 33 -9.109 5.873 5.584 1.00 22.30 C ATOM 505 CE1 HIS A 33 -9.993 4.032 4.795 1.00 44.45 C ATOM 506 NE2 HIS A 33 -10.112 4.948 5.733 1.00 23.40 N ATOM 0 H HIS A 33 -5.301 7.556 3.063 1.00 31.33 H new ATOM 0 HA HIS A 33 -6.977 7.607 5.411 1.00 52.43 H new ATOM 0 HB2 HIS A 33 -7.519 6.758 3.038 1.00 73.25 H new ATOM 0 HB3 HIS A 33 -6.549 5.351 3.428 1.00 73.25 H new ATOM 0 HD2 HIS A 33 -8.943 6.743 6.203 1.00 22.30 H new ATOM 0 HE1 HIS A 33 -10.641 3.179 4.661 1.00 44.45 H new ATOM 0 HE2 HIS A 33 -10.833 4.967 6.454 1.00 23.40 H new ATOM 515 N TYR A 34 -4.289 5.763 5.334 1.00 0.52 N ATOM 516 CA TYR A 34 -3.375 4.964 6.148 1.00 33.53 C ATOM 517 C TYR A 34 -1.940 5.338 5.834 1.00 52.12 C ATOM 518 O TYR A 34 -1.597 5.569 4.674 1.00 22.41 O ATOM 519 CB TYR A 34 -3.563 3.467 5.894 1.00 32.00 C ATOM 520 CG TYR A 34 -4.398 2.755 6.936 1.00 52.54 C ATOM 521 CD1 TYR A 34 -5.778 2.670 6.816 1.00 11.35 C ATOM 522 CD2 TYR A 34 -3.798 2.160 8.040 1.00 34.15 C ATOM 523 CE1 TYR A 34 -6.536 2.013 7.765 1.00 14.35 C ATOM 524 CE2 TYR A 34 -4.551 1.502 8.992 1.00 31.41 C ATOM 525 CZ TYR A 34 -5.917 1.433 8.849 1.00 11.13 C ATOM 526 OH TYR A 34 -6.673 0.776 9.790 1.00 73.41 O ATOM 0 H TYR A 34 -3.908 6.037 4.428 1.00 0.52 H new ATOM 0 HA TYR A 34 -3.598 5.172 7.194 1.00 33.53 H new ATOM 0 HB2 TYR A 34 -4.030 3.332 4.918 1.00 32.00 H new ATOM 0 HB3 TYR A 34 -2.583 2.993 5.846 1.00 32.00 H new ATOM 0 HD1 TYR A 34 -6.267 3.125 5.967 1.00 11.35 H new ATOM 0 HD2 TYR A 34 -2.725 2.213 8.155 1.00 34.15 H new ATOM 0 HE1 TYR A 34 -7.609 1.955 7.657 1.00 14.35 H new ATOM 0 HE2 TYR A 34 -4.070 1.044 9.844 1.00 31.41 H new ATOM 0 HH TYR A 34 -6.087 0.422 10.491 1.00 73.41 H new ATOM 536 N GLU A 35 -1.114 5.388 6.864 1.00 52.13 N ATOM 537 CA GLU A 35 0.298 5.710 6.706 1.00 73.01 C ATOM 538 C GLU A 35 1.137 4.970 7.747 1.00 52.44 C ATOM 539 O GLU A 35 0.957 5.155 8.953 1.00 11.21 O ATOM 540 CB GLU A 35 0.506 7.228 6.822 1.00 22.32 C ATOM 541 CG GLU A 35 -0.123 7.842 8.067 1.00 43.53 C ATOM 542 CD GLU A 35 -0.103 9.356 8.056 1.00 3.24 C ATOM 543 OE1 GLU A 35 -0.936 9.959 7.347 1.00 12.22 O ATOM 544 OE2 GLU A 35 0.726 9.957 8.774 1.00 31.13 O ATOM 0 H GLU A 35 -1.397 5.209 7.827 1.00 52.13 H new ATOM 0 HA GLU A 35 0.624 5.387 5.717 1.00 73.01 H new ATOM 0 HB2 GLU A 35 1.575 7.440 6.825 1.00 22.32 H new ATOM 0 HB3 GLU A 35 0.088 7.711 5.939 1.00 22.32 H new ATOM 0 HG2 GLU A 35 -1.154 7.499 8.153 1.00 43.53 H new ATOM 0 HG3 GLU A 35 0.407 7.484 8.949 1.00 43.53 H new ATOM 551 N ASP A 36 2.045 4.122 7.268 1.00 70.51 N ATOM 552 CA ASP A 36 2.930 3.350 8.140 1.00 73.40 C ATOM 553 C ASP A 36 3.910 2.544 7.289 1.00 33.53 C ATOM 554 O ASP A 36 3.799 2.513 6.061 1.00 32.24 O ATOM 555 CB ASP A 36 2.133 2.407 9.058 1.00 45.52 C ATOM 556 CG ASP A 36 2.860 2.081 10.357 1.00 32.42 C ATOM 557 OD1 ASP A 36 3.923 1.430 10.317 1.00 1.51 O ATOM 558 OD2 ASP A 36 2.375 2.489 11.434 1.00 2.31 O ATOM 0 H ASP A 36 2.188 3.951 6.273 1.00 70.51 H new ATOM 0 HA ASP A 36 3.478 4.047 8.773 1.00 73.40 H new ATOM 0 HB2 ASP A 36 1.172 2.864 9.292 1.00 45.52 H new ATOM 0 HB3 ASP A 36 1.924 1.480 8.523 1.00 45.52 H new ATOM 563 N ALA A 37 4.861 1.903 7.945 1.00 14.34 N ATOM 564 CA ALA A 37 5.870 1.098 7.278 1.00 12.34 C ATOM 565 C ALA A 37 6.421 0.063 8.247 1.00 15.00 C ATOM 566 O ALA A 37 6.737 0.388 9.396 1.00 34.34 O ATOM 567 CB ALA A 37 6.990 1.975 6.743 1.00 21.52 C ATOM 0 H ALA A 37 4.956 1.926 8.960 1.00 14.34 H new ATOM 0 HA ALA A 37 5.410 0.586 6.433 1.00 12.34 H new ATOM 0 HB1 ALA A 37 7.735 1.352 6.247 1.00 21.52 H new ATOM 0 HB2 ALA A 37 6.582 2.691 6.029 1.00 21.52 H new ATOM 0 HB3 ALA A 37 7.457 2.512 7.568 1.00 21.52 H new ATOM 573 N ASP A 38 6.526 -1.174 7.790 1.00 71.32 N ATOM 574 CA ASP A 38 7.008 -2.266 8.626 1.00 3.33 C ATOM 575 C ASP A 38 8.035 -3.084 7.852 1.00 62.04 C ATOM 576 O ASP A 38 8.121 -2.974 6.632 1.00 25.31 O ATOM 577 CB ASP A 38 5.831 -3.145 9.077 1.00 41.23 C ATOM 578 CG ASP A 38 6.246 -4.253 10.028 1.00 31.45 C ATOM 579 OD1 ASP A 38 6.857 -3.949 11.075 1.00 11.02 O ATOM 580 OD2 ASP A 38 5.964 -5.430 9.739 1.00 52.31 O ATOM 0 H ASP A 38 6.283 -1.450 6.839 1.00 71.32 H new ATOM 0 HA ASP A 38 7.486 -1.860 9.517 1.00 3.33 H new ATOM 0 HB2 ASP A 38 5.083 -2.519 9.563 1.00 41.23 H new ATOM 0 HB3 ASP A 38 5.357 -3.586 8.200 1.00 41.23 H new ATOM 585 N VAL A 39 8.821 -3.886 8.552 1.00 23.31 N ATOM 586 CA VAL A 39 9.867 -4.674 7.918 1.00 44.23 C ATOM 587 C VAL A 39 9.310 -5.979 7.349 1.00 32.32 C ATOM 588 O VAL A 39 8.116 -6.259 7.473 1.00 45.44 O ATOM 589 CB VAL A 39 11.002 -4.995 8.910 1.00 62.22 C ATOM 590 CG1 VAL A 39 11.674 -3.717 9.385 1.00 34.34 C ATOM 591 CG2 VAL A 39 10.478 -5.794 10.094 1.00 51.34 C ATOM 0 H VAL A 39 8.755 -4.009 9.562 1.00 23.31 H new ATOM 0 HA VAL A 39 10.267 -4.073 7.101 1.00 44.23 H new ATOM 0 HB VAL A 39 11.743 -5.603 8.391 1.00 62.22 H new ATOM 0 HG11 VAL A 39 12.473 -3.964 10.085 1.00 34.34 H new ATOM 0 HG12 VAL A 39 12.092 -3.186 8.530 1.00 34.34 H new ATOM 0 HG13 VAL A 39 10.940 -3.083 9.882 1.00 34.34 H new ATOM 0 HG21 VAL A 39 11.298 -6.008 10.780 1.00 51.34 H new ATOM 0 HG22 VAL A 39 9.713 -5.217 10.612 1.00 51.34 H new ATOM 0 HG23 VAL A 39 10.048 -6.731 9.739 1.00 51.34 H new ATOM 601 N GLY A 40 10.182 -6.762 6.715 1.00 1.45 N ATOM 602 CA GLY A 40 9.784 -8.052 6.178 1.00 62.22 C ATOM 603 C GLY A 40 9.230 -8.972 7.250 1.00 54.42 C ATOM 604 O GLY A 40 9.763 -9.037 8.362 1.00 0.31 O ATOM 0 H GLY A 40 11.162 -6.523 6.564 1.00 1.45 H new ATOM 0 HA2 GLY A 40 9.031 -7.905 5.403 1.00 62.22 H new ATOM 0 HA3 GLY A 40 10.642 -8.526 5.702 1.00 62.22 H new ATOM 608 N LYS A 41 8.161 -9.683 6.929 1.00 53.02 N ATOM 609 CA LYS A 41 7.498 -10.522 7.902 1.00 52.44 C ATOM 610 C LYS A 41 7.532 -11.972 7.457 1.00 74.22 C ATOM 611 O LYS A 41 8.085 -12.301 6.408 1.00 31.13 O ATOM 612 CB LYS A 41 6.053 -10.065 8.098 1.00 34.44 C ATOM 613 CG LYS A 41 5.907 -8.556 8.203 1.00 12.14 C ATOM 614 CD LYS A 41 4.575 -8.155 8.810 1.00 31.00 C ATOM 615 CE LYS A 41 4.543 -8.442 10.301 1.00 41.42 C ATOM 616 NZ LYS A 41 5.626 -7.721 11.023 1.00 61.11 N ATOM 0 H LYS A 41 7.737 -9.693 6.001 1.00 53.02 H new ATOM 0 HA LYS A 41 8.025 -10.435 8.852 1.00 52.44 H new ATOM 0 HB2 LYS A 41 5.450 -10.424 7.264 1.00 34.44 H new ATOM 0 HB3 LYS A 41 5.653 -10.525 9.002 1.00 34.44 H new ATOM 0 HG2 LYS A 41 6.718 -8.155 8.811 1.00 12.14 H new ATOM 0 HG3 LYS A 41 6.002 -8.113 7.212 1.00 12.14 H new ATOM 0 HD2 LYS A 41 4.398 -7.093 8.637 1.00 31.00 H new ATOM 0 HD3 LYS A 41 3.769 -8.697 8.315 1.00 31.00 H new ATOM 0 HE2 LYS A 41 3.576 -8.147 10.708 1.00 41.42 H new ATOM 0 HE3 LYS A 41 4.646 -9.514 10.468 1.00 41.42 H new ATOM 0 HZ1 LYS A 41 5.411 -7.701 12.040 1.00 61.11 H new ATOM 0 HZ2 LYS A 41 6.531 -8.210 10.870 1.00 61.11 H new ATOM 0 HZ3 LYS A 41 5.694 -6.747 10.664 1.00 61.11 H new ATOM 630 N ASN A 42 6.932 -12.829 8.258 1.00 3.24 N ATOM 631 CA ASN A 42 6.907 -14.259 7.978 1.00 72.21 C ATOM 632 C ASN A 42 5.495 -14.708 7.611 1.00 63.12 C ATOM 633 O ASN A 42 4.514 -14.115 8.063 1.00 72.13 O ATOM 634 CB ASN A 42 7.421 -15.061 9.181 1.00 13.34 C ATOM 635 CG ASN A 42 8.914 -14.906 9.404 1.00 20.02 C ATOM 636 OD1 ASN A 42 9.487 -13.835 9.192 1.00 14.24 O ATOM 637 ND2 ASN A 42 9.558 -15.987 9.815 1.00 3.23 N ATOM 0 H ASN A 42 6.450 -12.561 9.116 1.00 3.24 H new ATOM 0 HA ASN A 42 7.567 -14.448 7.131 1.00 72.21 H new ATOM 0 HB2 ASN A 42 6.890 -14.741 10.078 1.00 13.34 H new ATOM 0 HB3 ASN A 42 7.189 -16.116 9.033 1.00 13.34 H new ATOM 0 HD21 ASN A 42 10.566 -15.953 9.968 1.00 3.23 H new ATOM 0 HD22 ASN A 42 9.046 -16.854 9.979 1.00 3.23 H new ATOM 644 N PRO A 43 5.376 -15.764 6.786 1.00 55.04 N ATOM 645 CA PRO A 43 4.079 -16.273 6.317 1.00 44.12 C ATOM 646 C PRO A 43 3.195 -16.769 7.456 1.00 71.12 C ATOM 647 O PRO A 43 1.969 -16.720 7.367 1.00 2.23 O ATOM 648 CB PRO A 43 4.453 -17.436 5.391 1.00 62.01 C ATOM 649 CG PRO A 43 5.884 -17.211 5.042 1.00 74.54 C ATOM 650 CD PRO A 43 6.497 -16.540 6.234 1.00 11.41 C ATOM 0 HA PRO A 43 3.499 -15.491 5.827 1.00 44.12 H new ATOM 0 HB2 PRO A 43 4.315 -18.396 5.889 1.00 62.01 H new ATOM 0 HB3 PRO A 43 3.827 -17.446 4.499 1.00 62.01 H new ATOM 0 HG2 PRO A 43 6.386 -18.154 4.824 1.00 74.54 H new ATOM 0 HG3 PRO A 43 5.976 -16.588 4.153 1.00 74.54 H new ATOM 0 HD2 PRO A 43 6.880 -17.264 6.953 1.00 11.41 H new ATOM 0 HD3 PRO A 43 7.332 -15.899 5.952 1.00 11.41 H new ATOM 658 N ALA A 44 3.827 -17.225 8.531 1.00 31.21 N ATOM 659 CA ALA A 44 3.110 -17.769 9.679 1.00 1.41 C ATOM 660 C ALA A 44 2.165 -16.739 10.290 1.00 34.04 C ATOM 661 O ALA A 44 1.071 -17.076 10.745 1.00 43.04 O ATOM 662 CB ALA A 44 4.097 -18.264 10.723 1.00 3.12 C ATOM 0 H ALA A 44 4.842 -17.229 8.632 1.00 31.21 H new ATOM 0 HA ALA A 44 2.505 -18.606 9.331 1.00 1.41 H new ATOM 0 HB1 ALA A 44 3.552 -18.668 11.576 1.00 3.12 H new ATOM 0 HB2 ALA A 44 4.724 -19.044 10.290 1.00 3.12 H new ATOM 0 HB3 ALA A 44 4.724 -17.436 11.053 1.00 3.12 H new ATOM 668 N ALA A 45 2.585 -15.483 10.294 1.00 41.43 N ATOM 669 CA ALA A 45 1.771 -14.413 10.849 1.00 63.40 C ATOM 670 C ALA A 45 1.026 -13.668 9.749 1.00 13.13 C ATOM 671 O ALA A 45 0.260 -12.750 10.021 1.00 72.41 O ATOM 672 CB ALA A 45 2.638 -13.451 11.648 1.00 4.33 C ATOM 0 H ALA A 45 3.484 -15.180 9.919 1.00 41.43 H new ATOM 0 HA ALA A 45 1.033 -14.858 11.516 1.00 63.40 H new ATOM 0 HB1 ALA A 45 2.016 -12.655 12.058 1.00 4.33 H new ATOM 0 HB2 ALA A 45 3.122 -13.989 12.463 1.00 4.33 H new ATOM 0 HB3 ALA A 45 3.398 -13.019 10.996 1.00 4.33 H new ATOM 678 N ALA A 46 1.245 -14.074 8.506 1.00 64.23 N ATOM 679 CA ALA A 46 0.639 -13.399 7.366 1.00 45.53 C ATOM 680 C ALA A 46 -0.782 -13.891 7.120 1.00 63.24 C ATOM 681 O ALA A 46 -1.645 -13.123 6.693 1.00 51.24 O ATOM 682 CB ALA A 46 1.492 -13.594 6.123 1.00 4.35 C ATOM 0 H ALA A 46 1.838 -14.867 8.261 1.00 64.23 H new ATOM 0 HA ALA A 46 0.587 -12.335 7.595 1.00 45.53 H new ATOM 0 HB1 ALA A 46 1.027 -13.084 5.279 1.00 4.35 H new ATOM 0 HB2 ALA A 46 2.485 -13.180 6.295 1.00 4.35 H new ATOM 0 HB3 ALA A 46 1.576 -14.658 5.903 1.00 4.35 H new ATOM 688 N THR A 47 -1.012 -15.169 7.401 1.00 30.53 N ATOM 689 CA THR A 47 -2.313 -15.791 7.187 1.00 50.23 C ATOM 690 C THR A 47 -3.406 -15.117 8.026 1.00 20.02 C ATOM 691 O THR A 47 -4.533 -14.929 7.565 1.00 12.54 O ATOM 692 CB THR A 47 -2.256 -17.291 7.540 1.00 11.21 C ATOM 693 OG1 THR A 47 -1.133 -17.900 6.890 1.00 72.20 O ATOM 694 CG2 THR A 47 -3.533 -18.003 7.121 1.00 2.33 C ATOM 0 H THR A 47 -0.306 -15.800 7.781 1.00 30.53 H new ATOM 0 HA THR A 47 -2.561 -15.669 6.133 1.00 50.23 H new ATOM 0 HB THR A 47 -2.151 -17.381 8.621 1.00 11.21 H new ATOM 0 HG1 THR A 47 -1.100 -18.852 7.118 1.00 72.20 H new ATOM 0 HG21 THR A 47 -3.464 -19.059 7.383 1.00 2.33 H new ATOM 0 HG22 THR A 47 -4.384 -17.557 7.636 1.00 2.33 H new ATOM 0 HG23 THR A 47 -3.668 -17.904 6.044 1.00 2.33 H new ATOM 702 N MET A 48 -3.063 -14.740 9.252 1.00 13.20 N ATOM 703 CA MET A 48 -4.023 -14.137 10.164 1.00 74.32 C ATOM 704 C MET A 48 -3.371 -13.000 10.928 1.00 50.22 C ATOM 705 O MET A 48 -2.729 -13.213 11.955 1.00 42.23 O ATOM 706 CB MET A 48 -4.589 -15.172 11.146 1.00 25.00 C ATOM 707 CG MET A 48 -5.475 -16.221 10.491 1.00 61.10 C ATOM 708 SD MET A 48 -6.129 -17.425 11.666 1.00 2.34 S ATOM 709 CE MET A 48 -4.616 -18.163 12.279 1.00 73.21 C ATOM 0 H MET A 48 -2.124 -14.842 9.637 1.00 13.20 H new ATOM 0 HA MET A 48 -4.850 -13.747 9.571 1.00 74.32 H new ATOM 0 HB2 MET A 48 -3.761 -15.672 11.649 1.00 25.00 H new ATOM 0 HB3 MET A 48 -5.163 -14.654 11.914 1.00 25.00 H new ATOM 0 HG2 MET A 48 -6.305 -15.725 9.988 1.00 61.10 H new ATOM 0 HG3 MET A 48 -4.904 -16.744 9.724 1.00 61.10 H new ATOM 0 HE1 MET A 48 -4.841 -19.125 12.740 1.00 73.21 H new ATOM 0 HE2 MET A 48 -3.922 -18.311 11.452 1.00 73.21 H new ATOM 0 HE3 MET A 48 -4.163 -17.503 13.019 1.00 73.21 H new ATOM 719 N ARG A 49 -3.505 -11.799 10.390 1.00 21.42 N ATOM 720 CA ARG A 49 -2.934 -10.610 11.007 1.00 43.22 C ATOM 721 C ARG A 49 -3.863 -9.410 10.834 1.00 63.45 C ATOM 722 O ARG A 49 -4.731 -9.408 9.958 1.00 23.21 O ATOM 723 CB ARG A 49 -1.556 -10.312 10.409 1.00 42.33 C ATOM 724 CG ARG A 49 -1.547 -10.190 8.892 1.00 35.01 C ATOM 725 CD ARG A 49 -0.129 -10.030 8.365 1.00 12.52 C ATOM 726 NE ARG A 49 -0.082 -9.932 6.904 1.00 3.10 N ATOM 727 CZ ARG A 49 1.029 -9.667 6.210 1.00 11.11 C ATOM 728 NH1 ARG A 49 2.186 -9.513 6.840 1.00 71.13 N ATOM 729 NH2 ARG A 49 0.986 -9.575 4.886 1.00 31.44 N ATOM 0 H ARG A 49 -4.008 -11.620 9.521 1.00 21.42 H new ATOM 0 HA ARG A 49 -2.818 -10.798 12.074 1.00 43.22 H new ATOM 0 HB2 ARG A 49 -1.179 -9.384 10.839 1.00 42.33 H new ATOM 0 HB3 ARG A 49 -0.866 -11.103 10.703 1.00 42.33 H new ATOM 0 HG2 ARG A 49 -2.005 -11.075 8.450 1.00 35.01 H new ATOM 0 HG3 ARG A 49 -2.150 -9.334 8.589 1.00 35.01 H new ATOM 0 HD2 ARG A 49 0.319 -9.137 8.801 1.00 12.52 H new ATOM 0 HD3 ARG A 49 0.474 -10.879 8.689 1.00 12.52 H new ATOM 0 HE ARG A 49 -0.949 -10.075 6.386 1.00 3.10 H new ATOM 0 HH11 ARG A 49 2.229 -9.597 7.856 1.00 71.13 H new ATOM 0 HH12 ARG A 49 3.033 -9.311 6.309 1.00 71.13 H new ATOM 0 HH21 ARG A 49 0.102 -9.707 4.394 1.00 31.44 H new ATOM 0 HH22 ARG A 49 1.837 -9.373 4.361 1.00 31.44 H new ATOM 743 N ASN A 50 -3.661 -8.386 11.661 1.00 62.02 N ATOM 744 CA ASN A 50 -4.516 -7.195 11.652 1.00 24.14 C ATOM 745 C ASN A 50 -4.330 -6.391 10.364 1.00 34.45 C ATOM 746 O ASN A 50 -5.148 -5.530 10.036 1.00 32.35 O ATOM 747 CB ASN A 50 -4.219 -6.315 12.871 1.00 55.43 C ATOM 748 CG ASN A 50 -5.236 -5.199 13.063 1.00 32.10 C ATOM 749 OD1 ASN A 50 -4.887 -4.102 13.502 1.00 71.02 O ATOM 750 ND2 ASN A 50 -6.503 -5.475 12.772 1.00 3.42 N ATOM 0 H ASN A 50 -2.909 -8.355 12.350 1.00 62.02 H new ATOM 0 HA ASN A 50 -5.553 -7.527 11.699 1.00 24.14 H new ATOM 0 HB2 ASN A 50 -4.199 -6.938 13.765 1.00 55.43 H new ATOM 0 HB3 ASN A 50 -3.226 -5.879 12.764 1.00 55.43 H new ATOM 0 HD21 ASN A 50 -7.224 -4.767 12.910 1.00 3.42 H new ATOM 0 HD22 ASN A 50 -6.754 -6.395 12.410 1.00 3.42 H new ATOM 757 N VAL A 51 -3.258 -6.689 9.632 1.00 23.31 N ATOM 758 CA VAL A 51 -3.022 -6.084 8.320 1.00 44.51 C ATOM 759 C VAL A 51 -4.246 -6.261 7.419 1.00 62.51 C ATOM 760 O VAL A 51 -4.524 -5.427 6.555 1.00 33.53 O ATOM 761 CB VAL A 51 -1.773 -6.687 7.629 1.00 4.03 C ATOM 762 CG1 VAL A 51 -1.585 -6.122 6.227 1.00 55.14 C ATOM 763 CG2 VAL A 51 -0.531 -6.435 8.469 1.00 41.05 C ATOM 0 H VAL A 51 -2.536 -7.348 9.925 1.00 23.31 H new ATOM 0 HA VAL A 51 -2.842 -5.021 8.480 1.00 44.51 H new ATOM 0 HB VAL A 51 -1.929 -7.762 7.538 1.00 4.03 H new ATOM 0 HG11 VAL A 51 -0.700 -6.566 5.771 1.00 55.14 H new ATOM 0 HG12 VAL A 51 -2.461 -6.354 5.621 1.00 55.14 H new ATOM 0 HG13 VAL A 51 -1.460 -5.041 6.284 1.00 55.14 H new ATOM 0 HG21 VAL A 51 0.338 -6.864 7.971 1.00 41.05 H new ATOM 0 HG22 VAL A 51 -0.386 -5.362 8.591 1.00 41.05 H new ATOM 0 HG23 VAL A 51 -0.654 -6.898 9.448 1.00 41.05 H new ATOM 773 N ALA A 52 -4.987 -7.348 7.643 1.00 33.43 N ATOM 774 CA ALA A 52 -6.212 -7.618 6.896 1.00 15.52 C ATOM 775 C ALA A 52 -7.212 -6.470 7.042 1.00 24.45 C ATOM 776 O ALA A 52 -7.999 -6.200 6.134 1.00 25.21 O ATOM 777 CB ALA A 52 -6.836 -8.926 7.358 1.00 31.23 C ATOM 0 H ALA A 52 -4.757 -8.057 8.339 1.00 33.43 H new ATOM 0 HA ALA A 52 -5.951 -7.706 5.841 1.00 15.52 H new ATOM 0 HB1 ALA A 52 -7.748 -9.114 6.792 1.00 31.23 H new ATOM 0 HB2 ALA A 52 -6.133 -9.743 7.194 1.00 31.23 H new ATOM 0 HB3 ALA A 52 -7.075 -8.860 8.420 1.00 31.23 H new ATOM 783 N GLY A 53 -7.185 -5.805 8.192 1.00 73.11 N ATOM 784 CA GLY A 53 -8.026 -4.641 8.403 1.00 44.25 C ATOM 785 C GLY A 53 -7.512 -3.425 7.659 1.00 21.00 C ATOM 786 O GLY A 53 -8.291 -2.623 7.147 1.00 42.02 O ATOM 0 H GLY A 53 -6.593 -6.053 8.985 1.00 73.11 H new ATOM 0 HA2 GLY A 53 -9.041 -4.864 8.075 1.00 44.25 H new ATOM 0 HA3 GLY A 53 -8.076 -4.419 9.469 1.00 44.25 H new ATOM 790 N GLU A 54 -6.192 -3.301 7.592 1.00 12.10 N ATOM 791 CA GLU A 54 -5.553 -2.165 6.941 1.00 72.42 C ATOM 792 C GLU A 54 -5.784 -2.202 5.432 1.00 32.20 C ATOM 793 O GLU A 54 -6.093 -1.182 4.815 1.00 24.33 O ATOM 794 CB GLU A 54 -4.057 -2.165 7.248 1.00 43.32 C ATOM 795 CG GLU A 54 -3.747 -2.189 8.736 1.00 74.34 C ATOM 796 CD GLU A 54 -2.262 -2.154 9.026 1.00 51.13 C ATOM 797 OE1 GLU A 54 -1.683 -1.050 9.027 1.00 63.13 O ATOM 798 OE2 GLU A 54 -1.670 -3.228 9.255 1.00 34.03 O ATOM 0 H GLU A 54 -5.539 -3.979 7.984 1.00 12.10 H new ATOM 0 HA GLU A 54 -5.997 -1.248 7.329 1.00 72.42 H new ATOM 0 HB2 GLU A 54 -3.596 -3.032 6.774 1.00 43.32 H new ATOM 0 HB3 GLU A 54 -3.602 -1.280 6.804 1.00 43.32 H new ATOM 0 HG2 GLU A 54 -4.227 -1.336 9.216 1.00 74.34 H new ATOM 0 HG3 GLU A 54 -4.178 -3.087 9.178 1.00 74.34 H new ATOM 805 N ILE A 55 -5.644 -3.381 4.843 1.00 20.22 N ATOM 806 CA ILE A 55 -5.889 -3.550 3.420 1.00 5.21 C ATOM 807 C ILE A 55 -7.378 -3.424 3.103 1.00 31.54 C ATOM 808 O ILE A 55 -7.756 -2.994 2.015 1.00 11.12 O ATOM 809 CB ILE A 55 -5.352 -4.895 2.899 1.00 1.14 C ATOM 810 CG1 ILE A 55 -5.866 -6.057 3.752 1.00 65.54 C ATOM 811 CG2 ILE A 55 -3.828 -4.878 2.868 1.00 61.31 C ATOM 812 CD1 ILE A 55 -5.375 -7.412 3.294 1.00 40.32 C ATOM 0 H ILE A 55 -5.362 -4.233 5.328 1.00 20.22 H new ATOM 0 HA ILE A 55 -5.349 -2.753 2.909 1.00 5.21 H new ATOM 0 HB ILE A 55 -5.718 -5.041 1.883 1.00 1.14 H new ATOM 0 HG12 ILE A 55 -5.560 -5.900 4.786 1.00 65.54 H new ATOM 0 HG13 ILE A 55 -6.956 -6.052 3.738 1.00 65.54 H new ATOM 0 HG21 ILE A 55 -3.461 -5.835 2.498 1.00 61.31 H new ATOM 0 HG22 ILE A 55 -3.486 -4.079 2.210 1.00 61.31 H new ATOM 0 HG23 ILE A 55 -3.445 -4.708 3.874 1.00 61.31 H new ATOM 0 HD11 ILE A 55 -5.780 -8.185 3.946 1.00 40.32 H new ATOM 0 HD12 ILE A 55 -5.704 -7.591 2.270 1.00 40.32 H new ATOM 0 HD13 ILE A 55 -4.286 -7.437 3.335 1.00 40.32 H new ATOM 824 N ALA A 56 -8.219 -3.798 4.063 1.00 3.33 N ATOM 825 CA ALA A 56 -9.664 -3.635 3.922 1.00 2.04 C ATOM 826 C ALA A 56 -10.032 -2.159 3.797 1.00 34.12 C ATOM 827 O ALA A 56 -11.047 -1.805 3.194 1.00 2.12 O ATOM 828 CB ALA A 56 -10.391 -4.264 5.102 1.00 24.12 C ATOM 0 H ALA A 56 -7.926 -4.216 4.946 1.00 3.33 H new ATOM 0 HA ALA A 56 -9.976 -4.145 3.011 1.00 2.04 H new ATOM 0 HB1 ALA A 56 -11.466 -4.132 4.979 1.00 24.12 H new ATOM 0 HB2 ALA A 56 -10.158 -5.328 5.147 1.00 24.12 H new ATOM 0 HB3 ALA A 56 -10.070 -3.783 6.026 1.00 24.12 H new ATOM 834 N ALA A 57 -9.193 -1.297 4.360 1.00 11.43 N ATOM 835 CA ALA A 57 -9.394 0.141 4.262 1.00 22.21 C ATOM 836 C ALA A 57 -9.075 0.634 2.854 1.00 4.30 C ATOM 837 O ALA A 57 -9.573 1.673 2.419 1.00 63.04 O ATOM 838 CB ALA A 57 -8.537 0.864 5.283 1.00 11.11 C ATOM 0 H ALA A 57 -8.366 -1.571 4.890 1.00 11.43 H new ATOM 0 HA ALA A 57 -10.442 0.357 4.471 1.00 22.21 H new ATOM 0 HB1 ALA A 57 -8.698 1.939 5.198 1.00 11.11 H new ATOM 0 HB2 ALA A 57 -8.810 0.535 6.286 1.00 11.11 H new ATOM 0 HB3 ALA A 57 -7.486 0.639 5.101 1.00 11.11 H new ATOM 844 N ALA A 58 -8.226 -0.111 2.155 1.00 64.12 N ATOM 845 CA ALA A 58 -7.938 0.171 0.757 1.00 60.42 C ATOM 846 C ALA A 58 -9.088 -0.323 -0.109 1.00 20.51 C ATOM 847 O ALA A 58 -9.459 0.313 -1.096 1.00 52.43 O ATOM 848 CB ALA A 58 -6.628 -0.478 0.334 1.00 25.23 C ATOM 0 H ALA A 58 -7.726 -0.915 2.535 1.00 64.12 H new ATOM 0 HA ALA A 58 -7.832 1.248 0.627 1.00 60.42 H new ATOM 0 HB1 ALA A 58 -6.433 -0.254 -0.715 1.00 25.23 H new ATOM 0 HB2 ALA A 58 -5.815 -0.088 0.946 1.00 25.23 H new ATOM 0 HB3 ALA A 58 -6.697 -1.558 0.468 1.00 25.23 H new ATOM 854 N LEU A 59 -9.651 -1.464 0.287 1.00 31.53 N ATOM 855 CA LEU A 59 -10.842 -2.011 -0.355 1.00 13.34 C ATOM 856 C LEU A 59 -11.955 -0.969 -0.385 1.00 45.25 C ATOM 857 O LEU A 59 -12.552 -0.713 -1.432 1.00 15.23 O ATOM 858 CB LEU A 59 -11.317 -3.264 0.397 1.00 32.31 C ATOM 859 CG LEU A 59 -12.702 -3.793 0.005 1.00 65.53 C ATOM 860 CD1 LEU A 59 -12.710 -4.281 -1.434 1.00 41.32 C ATOM 861 CD2 LEU A 59 -13.128 -4.905 0.953 1.00 61.35 C ATOM 0 H LEU A 59 -9.296 -2.031 1.057 1.00 31.53 H new ATOM 0 HA LEU A 59 -10.591 -2.284 -1.380 1.00 13.34 H new ATOM 0 HB2 LEU A 59 -10.587 -4.058 0.238 1.00 32.31 H new ATOM 0 HB3 LEU A 59 -11.322 -3.044 1.465 1.00 32.31 H new ATOM 0 HG LEU A 59 -13.418 -2.975 0.084 1.00 65.53 H new ATOM 0 HD11 LEU A 59 -13.704 -4.651 -1.687 1.00 41.32 H new ATOM 0 HD12 LEU A 59 -12.449 -3.458 -2.099 1.00 41.32 H new ATOM 0 HD13 LEU A 59 -11.983 -5.085 -1.550 1.00 41.32 H new ATOM 0 HD21 LEU A 59 -14.113 -5.272 0.664 1.00 61.35 H new ATOM 0 HD22 LEU A 59 -12.408 -5.721 0.903 1.00 61.35 H new ATOM 0 HD23 LEU A 59 -13.169 -4.519 1.972 1.00 61.35 H new ATOM 873 N TYR A 60 -12.212 -0.360 0.767 1.00 61.04 N ATOM 874 CA TYR A 60 -13.236 0.668 0.875 1.00 12.24 C ATOM 875 C TYR A 60 -12.894 1.870 -0.004 1.00 31.41 C ATOM 876 O TYR A 60 -13.775 2.466 -0.622 1.00 31.52 O ATOM 877 CB TYR A 60 -13.403 1.119 2.327 1.00 63.41 C ATOM 878 CG TYR A 60 -14.511 2.133 2.514 1.00 24.53 C ATOM 879 CD1 TYR A 60 -15.837 1.730 2.572 1.00 32.02 C ATOM 880 CD2 TYR A 60 -14.233 3.493 2.610 1.00 43.13 C ATOM 881 CE1 TYR A 60 -16.856 2.649 2.723 1.00 44.35 C ATOM 882 CE2 TYR A 60 -15.248 4.417 2.759 1.00 0.12 C ATOM 883 CZ TYR A 60 -16.557 3.989 2.815 1.00 73.43 C ATOM 884 OH TYR A 60 -17.573 4.907 2.958 1.00 23.23 O ATOM 0 H TYR A 60 -11.724 -0.562 1.639 1.00 61.04 H new ATOM 0 HA TYR A 60 -14.176 0.237 0.531 1.00 12.24 H new ATOM 0 HB2 TYR A 60 -13.608 0.248 2.950 1.00 63.41 H new ATOM 0 HB3 TYR A 60 -12.464 1.548 2.678 1.00 63.41 H new ATOM 0 HD1 TYR A 60 -16.076 0.679 2.498 1.00 32.02 H new ATOM 0 HD2 TYR A 60 -13.208 3.831 2.567 1.00 43.13 H new ATOM 0 HE1 TYR A 60 -17.883 2.318 2.769 1.00 44.35 H new ATOM 0 HE2 TYR A 60 -15.018 5.470 2.831 1.00 0.12 H new ATOM 0 HH TYR A 60 -17.194 5.809 3.009 1.00 23.23 H new ATOM 894 N ALA A 61 -11.610 2.211 -0.063 1.00 73.31 N ATOM 895 CA ALA A 61 -11.156 3.353 -0.850 1.00 3.12 C ATOM 896 C ALA A 61 -11.447 3.144 -2.333 1.00 70.51 C ATOM 897 O ALA A 61 -11.879 4.072 -3.027 1.00 11.43 O ATOM 898 CB ALA A 61 -9.671 3.599 -0.628 1.00 53.32 C ATOM 0 H ALA A 61 -10.866 1.713 0.425 1.00 73.31 H new ATOM 0 HA ALA A 61 -11.706 4.233 -0.517 1.00 3.12 H new ATOM 0 HB1 ALA A 61 -9.351 4.454 -1.223 1.00 53.32 H new ATOM 0 HB2 ALA A 61 -9.490 3.803 0.427 1.00 53.32 H new ATOM 0 HB3 ALA A 61 -9.107 2.716 -0.929 1.00 53.32 H new ATOM 904 N VAL A 62 -11.217 1.923 -2.805 1.00 3.22 N ATOM 905 CA VAL A 62 -11.488 1.566 -4.191 1.00 60.41 C ATOM 906 C VAL A 62 -12.992 1.477 -4.434 1.00 72.21 C ATOM 907 O VAL A 62 -13.502 1.991 -5.428 1.00 65.14 O ATOM 908 CB VAL A 62 -10.828 0.221 -4.570 1.00 72.40 C ATOM 909 CG1 VAL A 62 -11.112 -0.136 -6.021 1.00 31.54 C ATOM 910 CG2 VAL A 62 -9.330 0.273 -4.316 1.00 70.42 C ATOM 0 H VAL A 62 -10.841 1.160 -2.242 1.00 3.22 H new ATOM 0 HA VAL A 62 -11.061 2.349 -4.818 1.00 60.41 H new ATOM 0 HB VAL A 62 -11.260 -0.557 -3.941 1.00 72.40 H new ATOM 0 HG11 VAL A 62 -10.636 -1.087 -6.262 1.00 31.54 H new ATOM 0 HG12 VAL A 62 -12.188 -0.221 -6.171 1.00 31.54 H new ATOM 0 HG13 VAL A 62 -10.715 0.643 -6.672 1.00 31.54 H new ATOM 0 HG21 VAL A 62 -8.881 -0.682 -4.588 1.00 70.42 H new ATOM 0 HG22 VAL A 62 -8.886 1.067 -4.917 1.00 70.42 H new ATOM 0 HG23 VAL A 62 -9.147 0.472 -3.260 1.00 70.42 H new ATOM 920 N LYS A 63 -13.694 0.840 -3.506 1.00 12.43 N ATOM 921 CA LYS A 63 -15.143 0.698 -3.595 1.00 21.52 C ATOM 922 C LYS A 63 -15.829 2.066 -3.624 1.00 44.10 C ATOM 923 O LYS A 63 -16.795 2.273 -4.361 1.00 34.30 O ATOM 924 CB LYS A 63 -15.652 -0.156 -2.422 1.00 32.12 C ATOM 925 CG LYS A 63 -17.166 -0.203 -2.284 1.00 20.34 C ATOM 926 CD LYS A 63 -17.655 0.775 -1.224 1.00 21.11 C ATOM 927 CE LYS A 63 -19.169 0.798 -1.139 1.00 60.15 C ATOM 928 NZ LYS A 63 -19.641 1.632 -0.005 1.00 14.23 N ATOM 0 H LYS A 63 -13.281 0.411 -2.678 1.00 12.43 H new ATOM 0 HA LYS A 63 -15.391 0.193 -4.528 1.00 21.52 H new ATOM 0 HB2 LYS A 63 -15.279 -1.173 -2.542 1.00 32.12 H new ATOM 0 HB3 LYS A 63 -15.228 0.232 -1.496 1.00 32.12 H new ATOM 0 HG2 LYS A 63 -17.628 0.035 -3.242 1.00 20.34 H new ATOM 0 HG3 LYS A 63 -17.478 -1.214 -2.021 1.00 20.34 H new ATOM 0 HD2 LYS A 63 -17.240 0.499 -0.255 1.00 21.11 H new ATOM 0 HD3 LYS A 63 -17.288 1.775 -1.454 1.00 21.11 H new ATOM 0 HE2 LYS A 63 -19.580 1.185 -2.071 1.00 60.15 H new ATOM 0 HE3 LYS A 63 -19.543 -0.219 -1.023 1.00 60.15 H new ATOM 0 HZ1 LYS A 63 -20.681 1.625 0.022 1.00 14.23 H new ATOM 0 HZ2 LYS A 63 -19.269 1.248 0.887 1.00 14.23 H new ATOM 0 HZ3 LYS A 63 -19.305 2.608 -0.129 1.00 14.23 H new ATOM 942 N LYS A 64 -15.312 3.000 -2.838 1.00 0.51 N ATOM 943 CA LYS A 64 -15.854 4.351 -2.800 1.00 33.15 C ATOM 944 C LYS A 64 -15.606 5.062 -4.131 1.00 72.21 C ATOM 945 O LYS A 64 -16.394 5.900 -4.554 1.00 32.31 O ATOM 946 CB LYS A 64 -15.232 5.137 -1.642 1.00 63.24 C ATOM 947 CG LYS A 64 -15.859 6.507 -1.414 1.00 55.23 C ATOM 948 CD LYS A 64 -15.335 7.153 -0.141 1.00 0.15 C ATOM 949 CE LYS A 64 -15.957 8.522 0.094 1.00 74.30 C ATOM 950 NZ LYS A 64 -15.530 9.108 1.392 1.00 12.15 N ATOM 0 H LYS A 64 -14.517 2.847 -2.217 1.00 0.51 H new ATOM 0 HA LYS A 64 -16.931 4.293 -2.639 1.00 33.15 H new ATOM 0 HB2 LYS A 64 -15.324 4.550 -0.728 1.00 63.24 H new ATOM 0 HB3 LYS A 64 -14.167 5.264 -1.834 1.00 63.24 H new ATOM 0 HG2 LYS A 64 -15.645 7.153 -2.266 1.00 55.23 H new ATOM 0 HG3 LYS A 64 -16.943 6.407 -1.354 1.00 55.23 H new ATOM 0 HD2 LYS A 64 -15.548 6.506 0.710 1.00 0.15 H new ATOM 0 HD3 LYS A 64 -14.251 7.252 -0.203 1.00 0.15 H new ATOM 0 HE2 LYS A 64 -15.676 9.193 -0.718 1.00 74.30 H new ATOM 0 HE3 LYS A 64 -17.043 8.436 0.074 1.00 74.30 H new ATOM 0 HZ1 LYS A 64 -16.194 9.859 1.669 1.00 12.15 H new ATOM 0 HZ2 LYS A 64 -15.521 8.367 2.121 1.00 12.15 H new ATOM 0 HZ3 LYS A 64 -14.575 9.509 1.295 1.00 12.15 H new ATOM 964 N ALA A 65 -14.510 4.718 -4.794 1.00 1.14 N ATOM 965 CA ALA A 65 -14.223 5.269 -6.111 1.00 73.22 C ATOM 966 C ALA A 65 -15.137 4.642 -7.163 1.00 54.22 C ATOM 967 O ALA A 65 -15.560 5.305 -8.110 1.00 71.15 O ATOM 968 CB ALA A 65 -12.761 5.054 -6.470 1.00 63.13 C ATOM 0 H ALA A 65 -13.809 4.064 -4.444 1.00 1.14 H new ATOM 0 HA ALA A 65 -14.415 6.342 -6.088 1.00 73.22 H new ATOM 0 HB1 ALA A 65 -12.564 5.472 -7.457 1.00 63.13 H new ATOM 0 HB2 ALA A 65 -12.129 5.550 -5.733 1.00 63.13 H new ATOM 0 HB3 ALA A 65 -12.541 3.986 -6.477 1.00 63.13 H new ATOM 974 N SER A 66 -15.445 3.363 -6.964 1.00 41.54 N ATOM 975 CA SER A 66 -16.300 2.607 -7.872 1.00 5.33 C ATOM 976 C SER A 66 -17.660 3.281 -8.042 1.00 65.11 C ATOM 977 O SER A 66 -18.102 3.535 -9.166 1.00 15.14 O ATOM 978 CB SER A 66 -16.490 1.179 -7.344 1.00 12.51 C ATOM 979 OG SER A 66 -17.313 0.413 -8.206 1.00 33.35 O ATOM 0 H SER A 66 -15.108 2.822 -6.168 1.00 41.54 H new ATOM 0 HA SER A 66 -15.812 2.574 -8.846 1.00 5.33 H new ATOM 0 HB2 SER A 66 -15.519 0.695 -7.242 1.00 12.51 H new ATOM 0 HB3 SER A 66 -16.935 1.214 -6.350 1.00 12.51 H new ATOM 0 HG SER A 66 -17.414 -0.492 -7.843 1.00 33.35 H new ATOM 985 N GLN A 67 -18.312 3.580 -6.923 1.00 43.11 N ATOM 986 CA GLN A 67 -19.636 4.175 -6.944 1.00 65.40 C ATOM 987 C GLN A 67 -19.608 5.582 -7.536 1.00 5.43 C ATOM 988 O GLN A 67 -20.541 5.991 -8.227 1.00 12.02 O ATOM 989 CB GLN A 67 -20.226 4.178 -5.535 1.00 41.15 C ATOM 990 CG GLN A 67 -19.310 4.752 -4.465 1.00 52.30 C ATOM 991 CD GLN A 67 -19.883 4.623 -3.064 1.00 13.11 C ATOM 992 OE1 GLN A 67 -19.616 5.449 -2.192 1.00 42.24 O ATOM 993 NE2 GLN A 67 -20.662 3.573 -2.833 1.00 20.13 N ATOM 0 H GLN A 67 -17.939 3.417 -5.988 1.00 43.11 H new ATOM 0 HA GLN A 67 -20.275 3.572 -7.589 1.00 65.40 H new ATOM 0 HB2 GLN A 67 -21.154 4.750 -5.545 1.00 41.15 H new ATOM 0 HB3 GLN A 67 -20.485 3.155 -5.262 1.00 41.15 H new ATOM 0 HG2 GLN A 67 -18.347 4.242 -4.507 1.00 52.30 H new ATOM 0 HG3 GLN A 67 -19.123 5.804 -4.680 1.00 52.30 H new ATOM 0 HE21 GLN A 67 -20.860 2.910 -3.583 1.00 20.13 H new ATOM 0 HE22 GLN A 67 -21.063 3.429 -1.906 1.00 20.13 H new ATOM 1002 N LEU A 68 -18.535 6.314 -7.279 1.00 54.13 N ATOM 1003 CA LEU A 68 -18.354 7.636 -7.873 1.00 41.32 C ATOM 1004 C LEU A 68 -18.099 7.520 -9.374 1.00 24.14 C ATOM 1005 O LEU A 68 -18.383 8.441 -10.139 1.00 13.11 O ATOM 1006 CB LEU A 68 -17.201 8.384 -7.195 1.00 44.21 C ATOM 1007 CG LEU A 68 -17.585 9.241 -5.979 1.00 12.33 C ATOM 1008 CD1 LEU A 68 -18.249 8.406 -4.899 1.00 45.20 C ATOM 1009 CD2 LEU A 68 -16.359 9.948 -5.423 1.00 73.02 C ATOM 0 H LEU A 68 -17.776 6.019 -6.665 1.00 54.13 H new ATOM 0 HA LEU A 68 -19.271 8.204 -7.719 1.00 41.32 H new ATOM 0 HB2 LEU A 68 -16.454 7.655 -6.881 1.00 44.21 H new ATOM 0 HB3 LEU A 68 -16.726 9.028 -7.935 1.00 44.21 H new ATOM 0 HG LEU A 68 -18.305 9.989 -6.311 1.00 12.33 H new ATOM 0 HD11 LEU A 68 -18.508 9.044 -4.054 1.00 45.20 H new ATOM 0 HD12 LEU A 68 -19.154 7.948 -5.298 1.00 45.20 H new ATOM 0 HD13 LEU A 68 -17.563 7.626 -4.569 1.00 45.20 H new ATOM 0 HD21 LEU A 68 -16.646 10.551 -4.562 1.00 73.02 H new ATOM 0 HD22 LEU A 68 -15.620 9.208 -5.117 1.00 73.02 H new ATOM 0 HD23 LEU A 68 -15.931 10.592 -6.191 1.00 73.02 H new ATOM 1021 N GLY A 69 -17.574 6.375 -9.787 1.00 13.25 N ATOM 1022 CA GLY A 69 -17.347 6.123 -11.194 1.00 20.23 C ATOM 1023 C GLY A 69 -15.947 6.490 -11.632 1.00 62.23 C ATOM 1024 O GLY A 69 -15.644 6.503 -12.826 1.00 22.15 O ATOM 0 H GLY A 69 -17.300 5.612 -9.168 1.00 13.25 H new ATOM 0 HA2 GLY A 69 -17.525 5.068 -11.404 1.00 20.23 H new ATOM 0 HA3 GLY A 69 -18.068 6.691 -11.782 1.00 20.23 H new ATOM 1028 N VAL A 70 -15.089 6.764 -10.667 1.00 14.55 N ATOM 1029 CA VAL A 70 -13.732 7.197 -10.950 1.00 42.14 C ATOM 1030 C VAL A 70 -12.730 6.093 -10.628 1.00 15.40 C ATOM 1031 O VAL A 70 -13.095 5.057 -10.066 1.00 1.02 O ATOM 1032 CB VAL A 70 -13.373 8.475 -10.164 1.00 1.21 C ATOM 1033 CG1 VAL A 70 -14.188 9.657 -10.669 1.00 75.13 C ATOM 1034 CG2 VAL A 70 -13.595 8.269 -8.671 1.00 2.11 C ATOM 0 H VAL A 70 -15.309 6.694 -9.674 1.00 14.55 H new ATOM 0 HA VAL A 70 -13.680 7.422 -12.015 1.00 42.14 H new ATOM 0 HB VAL A 70 -12.317 8.691 -10.324 1.00 1.21 H new ATOM 0 HG11 VAL A 70 -13.922 10.550 -10.104 1.00 75.13 H new ATOM 0 HG12 VAL A 70 -13.976 9.820 -11.726 1.00 75.13 H new ATOM 0 HG13 VAL A 70 -15.250 9.448 -10.540 1.00 75.13 H new ATOM 0 HG21 VAL A 70 -13.336 9.182 -8.135 1.00 2.11 H new ATOM 0 HG22 VAL A 70 -14.642 8.026 -8.489 1.00 2.11 H new ATOM 0 HG23 VAL A 70 -12.966 7.451 -8.319 1.00 2.11 H new ATOM 1044 N LYS A 71 -11.482 6.308 -11.014 1.00 11.42 N ATOM 1045 CA LYS A 71 -10.419 5.345 -10.768 1.00 2.14 C ATOM 1046 C LYS A 71 -9.280 6.017 -10.015 1.00 41.30 C ATOM 1047 O LYS A 71 -9.293 7.233 -9.811 1.00 54.43 O ATOM 1048 CB LYS A 71 -9.875 4.767 -12.085 1.00 25.04 C ATOM 1049 CG LYS A 71 -10.897 4.018 -12.930 1.00 34.11 C ATOM 1050 CD LYS A 71 -11.844 4.965 -13.650 1.00 73.33 C ATOM 1051 CE LYS A 71 -12.766 4.225 -14.598 1.00 61.51 C ATOM 1052 NZ LYS A 71 -12.012 3.571 -15.696 1.00 32.45 N ATOM 0 H LYS A 71 -11.178 7.150 -11.504 1.00 11.42 H new ATOM 0 HA LYS A 71 -10.835 4.531 -10.174 1.00 2.14 H new ATOM 0 HB2 LYS A 71 -9.462 5.582 -12.679 1.00 25.04 H new ATOM 0 HB3 LYS A 71 -9.051 4.092 -11.855 1.00 25.04 H new ATOM 0 HG2 LYS A 71 -10.378 3.398 -13.661 1.00 34.11 H new ATOM 0 HG3 LYS A 71 -11.472 3.346 -12.293 1.00 34.11 H new ATOM 0 HD2 LYS A 71 -12.438 5.511 -12.918 1.00 73.33 H new ATOM 0 HD3 LYS A 71 -11.267 5.703 -14.207 1.00 73.33 H new ATOM 0 HE2 LYS A 71 -13.330 3.473 -14.045 1.00 61.51 H new ATOM 0 HE3 LYS A 71 -13.491 4.922 -15.019 1.00 61.51 H new ATOM 0 HZ1 LYS A 71 -12.667 3.311 -16.460 1.00 32.45 H new ATOM 0 HZ2 LYS A 71 -11.294 4.228 -16.064 1.00 32.45 H new ATOM 0 HZ3 LYS A 71 -11.545 2.715 -15.335 1.00 32.45 H new ATOM 1066 N ILE A 72 -8.293 5.235 -9.605 1.00 21.40 N ATOM 1067 CA ILE A 72 -7.113 5.795 -8.958 1.00 74.44 C ATOM 1068 C ILE A 72 -5.906 5.678 -9.879 1.00 12.13 C ATOM 1069 O ILE A 72 -5.904 4.869 -10.808 1.00 41.42 O ATOM 1070 CB ILE A 72 -6.818 5.124 -7.589 1.00 70.32 C ATOM 1071 CG1 ILE A 72 -6.603 3.610 -7.723 1.00 32.04 C ATOM 1072 CG2 ILE A 72 -7.944 5.404 -6.606 1.00 44.51 C ATOM 1073 CD1 ILE A 72 -5.170 3.208 -8.010 1.00 13.10 C ATOM 0 H ILE A 72 -8.283 4.220 -9.707 1.00 21.40 H new ATOM 0 HA ILE A 72 -7.317 6.847 -8.761 1.00 74.44 H new ATOM 0 HB ILE A 72 -5.892 5.558 -7.211 1.00 70.32 H new ATOM 0 HG12 ILE A 72 -6.927 3.126 -6.802 1.00 32.04 H new ATOM 0 HG13 ILE A 72 -7.241 3.233 -8.522 1.00 32.04 H new ATOM 0 HG21 ILE A 72 -7.721 4.926 -5.652 1.00 44.51 H new ATOM 0 HG22 ILE A 72 -8.040 6.480 -6.460 1.00 44.51 H new ATOM 0 HG23 ILE A 72 -8.879 5.007 -7.001 1.00 44.51 H new ATOM 0 HD11 ILE A 72 -5.106 2.123 -8.090 1.00 13.10 H new ATOM 0 HD12 ILE A 72 -4.846 3.661 -8.947 1.00 13.10 H new ATOM 0 HD13 ILE A 72 -4.527 3.551 -7.200 1.00 13.10 H new ATOM 1085 N ARG A 73 -4.890 6.492 -9.640 1.00 23.30 N ATOM 1086 CA ARG A 73 -3.681 6.439 -10.442 1.00 61.12 C ATOM 1087 C ARG A 73 -2.462 6.285 -9.544 1.00 62.54 C ATOM 1088 O ARG A 73 -2.409 6.857 -8.455 1.00 52.33 O ATOM 1089 CB ARG A 73 -3.563 7.690 -11.318 1.00 63.44 C ATOM 1090 CG ARG A 73 -2.486 7.585 -12.387 1.00 54.11 C ATOM 1091 CD ARG A 73 -2.714 8.598 -13.495 1.00 23.43 C ATOM 1092 NE ARG A 73 -4.027 8.430 -14.123 1.00 62.33 N ATOM 1093 CZ ARG A 73 -4.364 8.950 -15.303 1.00 5.05 C ATOM 1094 NH1 ARG A 73 -3.467 9.605 -16.032 1.00 3.24 N ATOM 1095 NH2 ARG A 73 -5.598 8.803 -15.766 1.00 12.03 N ATOM 0 H ARG A 73 -4.879 7.194 -8.900 1.00 23.30 H new ATOM 0 HA ARG A 73 -3.733 5.572 -11.100 1.00 61.12 H new ATOM 0 HB2 ARG A 73 -4.523 7.879 -11.798 1.00 63.44 H new ATOM 0 HB3 ARG A 73 -3.350 8.550 -10.683 1.00 63.44 H new ATOM 0 HG2 ARG A 73 -1.506 7.747 -11.938 1.00 54.11 H new ATOM 0 HG3 ARG A 73 -2.482 6.579 -12.806 1.00 54.11 H new ATOM 0 HD2 ARG A 73 -2.632 9.606 -13.089 1.00 23.43 H new ATOM 0 HD3 ARG A 73 -1.934 8.494 -14.249 1.00 23.43 H new ATOM 0 HE ARG A 73 -4.728 7.880 -13.626 1.00 62.33 H new ATOM 0 HH11 ARG A 73 -2.512 9.713 -15.690 1.00 3.24 H new ATOM 0 HH12 ARG A 73 -3.733 10.000 -16.934 1.00 3.24 H new ATOM 0 HH21 ARG A 73 -6.290 8.292 -15.219 1.00 12.03 H new ATOM 0 HH22 ARG A 73 -5.855 9.201 -16.669 1.00 12.03 H new ATOM 1109 N ILE A 74 -1.503 5.486 -9.990 1.00 63.23 N ATOM 1110 CA ILE A 74 -0.328 5.181 -9.200 1.00 65.43 C ATOM 1111 C ILE A 74 0.937 5.722 -9.852 1.00 11.40 C ATOM 1112 O ILE A 74 1.103 5.646 -11.070 1.00 75.40 O ATOM 1113 CB ILE A 74 -0.167 3.658 -8.980 1.00 35.13 C ATOM 1114 CG1 ILE A 74 0.084 2.902 -10.302 1.00 33.52 C ATOM 1115 CG2 ILE A 74 -1.383 3.092 -8.265 1.00 53.34 C ATOM 1116 CD1 ILE A 74 -1.108 2.827 -11.241 1.00 61.42 C ATOM 0 H ILE A 74 -1.521 5.035 -10.905 1.00 63.23 H new ATOM 0 HA ILE A 74 -0.472 5.667 -8.235 1.00 65.43 H new ATOM 0 HB ILE A 74 0.713 3.513 -8.353 1.00 35.13 H new ATOM 0 HG12 ILE A 74 0.909 3.384 -10.826 1.00 33.52 H new ATOM 0 HG13 ILE A 74 0.405 1.887 -10.066 1.00 33.52 H new ATOM 0 HG21 ILE A 74 -1.253 2.020 -8.119 1.00 53.34 H new ATOM 0 HG22 ILE A 74 -1.495 3.579 -7.297 1.00 53.34 H new ATOM 0 HG23 ILE A 74 -2.274 3.270 -8.866 1.00 53.34 H new ATOM 0 HD11 ILE A 74 -0.829 2.277 -12.140 1.00 61.42 H new ATOM 0 HD12 ILE A 74 -1.932 2.315 -10.743 1.00 61.42 H new ATOM 0 HD13 ILE A 74 -1.419 3.835 -11.515 1.00 61.42 H new ATOM 1128 N LEU A 75 1.821 6.269 -9.030 1.00 31.44 N ATOM 1129 CA LEU A 75 3.109 6.771 -9.497 1.00 75.03 C ATOM 1130 C LEU A 75 4.205 6.390 -8.503 1.00 53.43 C ATOM 1131 O LEU A 75 4.490 7.132 -7.563 1.00 43.13 O ATOM 1132 CB LEU A 75 3.062 8.294 -9.675 1.00 45.51 C ATOM 1133 CG LEU A 75 2.134 8.804 -10.781 1.00 11.53 C ATOM 1134 CD1 LEU A 75 2.038 10.322 -10.734 1.00 11.54 C ATOM 1135 CD2 LEU A 75 2.631 8.346 -12.147 1.00 62.13 C ATOM 0 H LEU A 75 1.669 6.378 -8.027 1.00 31.44 H new ATOM 0 HA LEU A 75 3.331 6.319 -10.464 1.00 75.03 H new ATOM 0 HB2 LEU A 75 2.753 8.742 -8.731 1.00 45.51 H new ATOM 0 HB3 LEU A 75 4.072 8.649 -9.881 1.00 45.51 H new ATOM 0 HG LEU A 75 1.140 8.388 -10.617 1.00 11.53 H new ATOM 0 HD11 LEU A 75 1.375 10.669 -11.526 1.00 11.54 H new ATOM 0 HD12 LEU A 75 1.641 10.632 -9.767 1.00 11.54 H new ATOM 0 HD13 LEU A 75 3.029 10.754 -10.875 1.00 11.54 H new ATOM 0 HD21 LEU A 75 1.960 8.717 -12.922 1.00 62.13 H new ATOM 0 HD22 LEU A 75 3.634 8.736 -12.319 1.00 62.13 H new ATOM 0 HD23 LEU A 75 2.655 7.257 -12.179 1.00 62.13 H new ATOM 1147 N HIS A 76 4.798 5.219 -8.704 1.00 74.24 N ATOM 1148 CA HIS A 76 5.787 4.680 -7.776 1.00 3.32 C ATOM 1149 C HIS A 76 6.510 3.494 -8.406 1.00 22.41 C ATOM 1150 O HIS A 76 6.133 3.032 -9.485 1.00 62.54 O ATOM 1151 CB HIS A 76 5.111 4.238 -6.462 1.00 72.21 C ATOM 1152 CG HIS A 76 4.273 2.991 -6.579 1.00 64.00 C ATOM 1153 ND1 HIS A 76 4.278 1.991 -5.631 1.00 13.44 N ATOM 1154 CD2 HIS A 76 3.404 2.586 -7.539 1.00 15.51 C ATOM 1155 CE1 HIS A 76 3.457 1.027 -6.003 1.00 34.21 C ATOM 1156 NE2 HIS A 76 2.912 1.360 -7.158 1.00 11.12 N ATOM 0 H HIS A 76 4.610 4.620 -9.508 1.00 74.24 H new ATOM 0 HA HIS A 76 6.511 5.464 -7.554 1.00 3.32 H new ATOM 0 HB2 HIS A 76 5.882 4.073 -5.709 1.00 72.21 H new ATOM 0 HB3 HIS A 76 4.481 5.051 -6.101 1.00 72.21 H new ATOM 0 HD1 HIS A 76 4.831 1.995 -4.774 1.00 13.44 H new ATOM 0 HD2 HIS A 76 3.146 3.127 -8.437 1.00 15.51 H new ATOM 0 HE1 HIS A 76 3.263 0.117 -5.454 1.00 34.21 H new ATOM 1165 N ASP A 77 7.528 2.999 -7.721 1.00 40.32 N ATOM 1166 CA ASP A 77 8.214 1.785 -8.147 1.00 75.34 C ATOM 1167 C ASP A 77 7.499 0.586 -7.522 1.00 21.02 C ATOM 1168 O ASP A 77 6.361 0.719 -7.079 1.00 54.00 O ATOM 1169 CB ASP A 77 9.692 1.836 -7.723 1.00 12.12 C ATOM 1170 CG ASP A 77 10.571 0.891 -8.526 1.00 13.50 C ATOM 1171 OD1 ASP A 77 10.698 -0.289 -8.140 1.00 15.44 O ATOM 1172 OD2 ASP A 77 11.147 1.326 -9.545 1.00 21.44 O ATOM 0 H ASP A 77 7.899 3.417 -6.868 1.00 40.32 H new ATOM 0 HA ASP A 77 8.189 1.694 -9.233 1.00 75.34 H new ATOM 0 HB2 ASP A 77 10.063 2.855 -7.838 1.00 12.12 H new ATOM 0 HB3 ASP A 77 9.770 1.586 -6.665 1.00 12.12 H new ATOM 1177 N TYR A 78 8.156 -0.568 -7.484 1.00 12.12 N ATOM 1178 CA TYR A 78 7.597 -1.779 -6.876 1.00 12.13 C ATOM 1179 C TYR A 78 6.288 -2.200 -7.547 1.00 53.44 C ATOM 1180 O TYR A 78 5.193 -1.884 -7.075 1.00 44.34 O ATOM 1181 CB TYR A 78 7.376 -1.582 -5.371 1.00 1.35 C ATOM 1182 CG TYR A 78 8.624 -1.197 -4.607 1.00 32.44 C ATOM 1183 CD1 TYR A 78 9.515 -2.163 -4.159 1.00 32.43 C ATOM 1184 CD2 TYR A 78 8.903 0.135 -4.325 1.00 45.23 C ATOM 1185 CE1 TYR A 78 10.649 -1.812 -3.451 1.00 11.23 C ATOM 1186 CE2 TYR A 78 10.035 0.493 -3.623 1.00 51.54 C ATOM 1187 CZ TYR A 78 10.904 -0.482 -3.188 1.00 40.12 C ATOM 1188 OH TYR A 78 12.026 -0.124 -2.478 1.00 14.15 O ATOM 0 H TYR A 78 9.091 -0.695 -7.872 1.00 12.12 H new ATOM 0 HA TYR A 78 8.324 -2.577 -7.026 1.00 12.13 H new ATOM 0 HB2 TYR A 78 6.621 -0.810 -5.224 1.00 1.35 H new ATOM 0 HB3 TYR A 78 6.976 -2.504 -4.950 1.00 1.35 H new ATOM 0 HD1 TYR A 78 9.319 -3.205 -4.367 1.00 32.43 H new ATOM 0 HD2 TYR A 78 8.222 0.903 -4.661 1.00 45.23 H new ATOM 0 HE1 TYR A 78 11.331 -2.575 -3.106 1.00 11.23 H new ATOM 0 HE2 TYR A 78 10.239 1.533 -3.416 1.00 51.54 H new ATOM 0 HH TYR A 78 11.813 0.628 -1.886 1.00 14.15 H new ATOM 1198 N ALA A 79 6.409 -2.909 -8.659 1.00 0.20 N ATOM 1199 CA ALA A 79 5.247 -3.409 -9.374 1.00 12.41 C ATOM 1200 C ALA A 79 4.928 -4.832 -8.939 1.00 21.14 C ATOM 1201 O ALA A 79 3.771 -5.252 -8.937 1.00 52.31 O ATOM 1202 CB ALA A 79 5.478 -3.353 -10.876 1.00 25.32 C ATOM 0 H ALA A 79 7.303 -3.151 -9.086 1.00 0.20 H new ATOM 0 HA ALA A 79 4.395 -2.773 -9.133 1.00 12.41 H new ATOM 0 HB1 ALA A 79 4.597 -3.732 -11.394 1.00 25.32 H new ATOM 0 HB2 ALA A 79 5.661 -2.322 -11.178 1.00 25.32 H new ATOM 0 HB3 ALA A 79 6.342 -3.966 -11.134 1.00 25.32 H new ATOM 1208 N GLY A 80 5.970 -5.561 -8.546 1.00 44.11 N ATOM 1209 CA GLY A 80 5.820 -6.961 -8.186 1.00 0.41 C ATOM 1210 C GLY A 80 4.954 -7.173 -6.960 1.00 2.14 C ATOM 1211 O GLY A 80 4.377 -8.243 -6.780 1.00 2.14 O ATOM 0 H GLY A 80 6.922 -5.203 -8.470 1.00 44.11 H new ATOM 0 HA2 GLY A 80 5.386 -7.501 -9.027 1.00 0.41 H new ATOM 0 HA3 GLY A 80 6.805 -7.391 -8.006 1.00 0.41 H new ATOM 1215 N ILE A 81 4.843 -6.143 -6.127 1.00 12.02 N ATOM 1216 CA ILE A 81 4.064 -6.224 -4.892 1.00 62.20 C ATOM 1217 C ILE A 81 2.571 -6.391 -5.194 1.00 64.51 C ATOM 1218 O ILE A 81 1.803 -6.874 -4.364 1.00 51.51 O ATOM 1219 CB ILE A 81 4.292 -4.971 -4.006 1.00 72.50 C ATOM 1220 CG1 ILE A 81 3.591 -5.129 -2.653 1.00 43.41 C ATOM 1221 CG2 ILE A 81 3.811 -3.711 -4.717 1.00 55.44 C ATOM 1222 CD1 ILE A 81 3.839 -3.981 -1.699 1.00 75.04 C ATOM 0 H ILE A 81 5.284 -5.237 -6.284 1.00 12.02 H new ATOM 0 HA ILE A 81 4.407 -7.102 -4.344 1.00 62.20 H new ATOM 0 HB ILE A 81 5.363 -4.873 -3.826 1.00 72.50 H new ATOM 0 HG12 ILE A 81 2.518 -5.226 -2.819 1.00 43.41 H new ATOM 0 HG13 ILE A 81 3.926 -6.056 -2.187 1.00 43.41 H new ATOM 0 HG21 ILE A 81 3.981 -2.845 -4.077 1.00 55.44 H new ATOM 0 HG22 ILE A 81 4.362 -3.587 -5.649 1.00 55.44 H new ATOM 0 HG23 ILE A 81 2.746 -3.799 -4.933 1.00 55.44 H new ATOM 0 HD11 ILE A 81 3.310 -4.165 -0.764 1.00 75.04 H new ATOM 0 HD12 ILE A 81 4.908 -3.896 -1.501 1.00 75.04 H new ATOM 0 HD13 ILE A 81 3.478 -3.054 -2.144 1.00 75.04 H new ATOM 1234 N ALA A 82 2.177 -6.028 -6.409 1.00 13.42 N ATOM 1235 CA ALA A 82 0.775 -6.054 -6.807 1.00 3.33 C ATOM 1236 C ALA A 82 0.308 -7.459 -7.177 1.00 1.12 C ATOM 1237 O ALA A 82 -0.789 -7.631 -7.714 1.00 63.52 O ATOM 1238 CB ALA A 82 0.551 -5.110 -7.977 1.00 64.03 C ATOM 0 H ALA A 82 2.814 -5.710 -7.140 1.00 13.42 H new ATOM 0 HA ALA A 82 0.186 -5.727 -5.950 1.00 3.33 H new ATOM 0 HB1 ALA A 82 -0.499 -5.135 -8.269 1.00 64.03 H new ATOM 0 HB2 ALA A 82 0.822 -4.096 -7.683 1.00 64.03 H new ATOM 0 HB3 ALA A 82 1.169 -5.421 -8.819 1.00 64.03 H new ATOM 1244 N PHE A 83 1.125 -8.465 -6.877 1.00 30.41 N ATOM 1245 CA PHE A 83 0.788 -9.842 -7.221 1.00 40.32 C ATOM 1246 C PHE A 83 -0.436 -10.318 -6.442 1.00 31.55 C ATOM 1247 O PHE A 83 -1.126 -11.246 -6.866 1.00 23.54 O ATOM 1248 CB PHE A 83 1.981 -10.782 -6.990 1.00 53.50 C ATOM 1249 CG PHE A 83 2.322 -11.049 -5.546 1.00 54.32 C ATOM 1250 CD1 PHE A 83 3.116 -10.172 -4.829 1.00 5.34 C ATOM 1251 CD2 PHE A 83 1.862 -12.194 -4.917 1.00 74.14 C ATOM 1252 CE1 PHE A 83 3.445 -10.429 -3.513 1.00 72.04 C ATOM 1253 CE2 PHE A 83 2.184 -12.456 -3.600 1.00 21.22 C ATOM 1254 CZ PHE A 83 2.977 -11.571 -2.898 1.00 23.31 C ATOM 0 H PHE A 83 2.019 -8.353 -6.400 1.00 30.41 H new ATOM 0 HA PHE A 83 0.544 -9.866 -8.283 1.00 40.32 H new ATOM 0 HB2 PHE A 83 1.772 -11.734 -7.479 1.00 53.50 H new ATOM 0 HB3 PHE A 83 2.857 -10.357 -7.480 1.00 53.50 H new ATOM 0 HD1 PHE A 83 3.483 -9.275 -5.305 1.00 5.34 H new ATOM 0 HD2 PHE A 83 1.244 -12.891 -5.463 1.00 74.14 H new ATOM 0 HE1 PHE A 83 4.068 -9.737 -2.966 1.00 72.04 H new ATOM 0 HE2 PHE A 83 1.816 -13.351 -3.121 1.00 21.22 H new ATOM 0 HZ PHE A 83 3.231 -11.773 -1.868 1.00 23.31 H new ATOM 1264 N TRP A 84 -0.716 -9.659 -5.320 1.00 31.43 N ATOM 1265 CA TRP A 84 -1.881 -9.986 -4.501 1.00 50.33 C ATOM 1266 C TRP A 84 -3.180 -9.745 -5.267 1.00 13.32 C ATOM 1267 O TRP A 84 -4.161 -10.449 -5.074 1.00 70.52 O ATOM 1268 CB TRP A 84 -1.895 -9.149 -3.217 1.00 13.15 C ATOM 1269 CG TRP A 84 -0.788 -9.470 -2.257 1.00 33.35 C ATOM 1270 CD1 TRP A 84 0.413 -8.831 -2.146 1.00 23.51 C ATOM 1271 CD2 TRP A 84 -0.788 -10.499 -1.259 1.00 50.43 C ATOM 1272 NE1 TRP A 84 1.161 -9.403 -1.144 1.00 71.35 N ATOM 1273 CE2 TRP A 84 0.447 -10.430 -0.587 1.00 35.32 C ATOM 1274 CE3 TRP A 84 -1.713 -11.476 -0.869 1.00 74.42 C ATOM 1275 CZ2 TRP A 84 0.779 -11.298 0.450 1.00 55.43 C ATOM 1276 CZ3 TRP A 84 -1.381 -12.336 0.160 1.00 22.12 C ATOM 1277 CH2 TRP A 84 -0.145 -12.243 0.809 1.00 53.04 C ATOM 0 H TRP A 84 -0.150 -8.893 -4.956 1.00 31.43 H new ATOM 0 HA TRP A 84 -1.810 -11.043 -4.245 1.00 50.33 H new ATOM 0 HB2 TRP A 84 -1.833 -8.094 -3.485 1.00 13.15 H new ATOM 0 HB3 TRP A 84 -2.850 -9.295 -2.713 1.00 13.15 H new ATOM 0 HD1 TRP A 84 0.730 -7.998 -2.756 1.00 23.51 H new ATOM 0 HE1 TRP A 84 2.096 -9.110 -0.861 1.00 71.35 H new ATOM 0 HE3 TRP A 84 -2.669 -11.556 -1.364 1.00 74.42 H new ATOM 0 HZ2 TRP A 84 1.732 -11.228 0.954 1.00 55.43 H new ATOM 0 HZ3 TRP A 84 -2.087 -13.093 0.469 1.00 22.12 H new ATOM 0 HH2 TRP A 84 0.085 -12.931 1.609 1.00 53.04 H new ATOM 1288 N ALA A 85 -3.169 -8.757 -6.151 1.00 12.30 N ATOM 1289 CA ALA A 85 -4.379 -8.344 -6.853 1.00 41.44 C ATOM 1290 C ALA A 85 -4.554 -9.088 -8.174 1.00 73.31 C ATOM 1291 O ALA A 85 -5.520 -8.859 -8.904 1.00 34.14 O ATOM 1292 CB ALA A 85 -4.359 -6.841 -7.087 1.00 60.02 C ATOM 0 H ALA A 85 -2.335 -8.225 -6.400 1.00 12.30 H new ATOM 0 HA ALA A 85 -5.231 -8.598 -6.223 1.00 41.44 H new ATOM 0 HB1 ALA A 85 -5.267 -6.542 -7.612 1.00 60.02 H new ATOM 0 HB2 ALA A 85 -4.307 -6.324 -6.129 1.00 60.02 H new ATOM 0 HB3 ALA A 85 -3.489 -6.578 -7.689 1.00 60.02 H new ATOM 1298 N THR A 86 -3.625 -9.971 -8.490 1.00 2.20 N ATOM 1299 CA THR A 86 -3.673 -10.674 -9.760 1.00 52.44 C ATOM 1300 C THR A 86 -3.505 -12.182 -9.590 1.00 61.30 C ATOM 1301 O THR A 86 -4.074 -12.960 -10.355 1.00 35.44 O ATOM 1302 CB THR A 86 -2.607 -10.122 -10.737 1.00 12.32 C ATOM 1303 OG1 THR A 86 -2.528 -10.931 -11.918 1.00 13.11 O ATOM 1304 CG2 THR A 86 -1.239 -10.045 -10.080 1.00 1.23 C ATOM 0 H THR A 86 -2.836 -10.217 -7.893 1.00 2.20 H new ATOM 0 HA THR A 86 -4.663 -10.499 -10.182 1.00 52.44 H new ATOM 0 HB THR A 86 -2.916 -9.114 -11.015 1.00 12.32 H new ATOM 0 HG1 THR A 86 -1.849 -10.563 -12.522 1.00 13.11 H new ATOM 0 HG21 THR A 86 -0.514 -9.653 -10.794 1.00 1.23 H new ATOM 0 HG22 THR A 86 -1.288 -9.385 -9.214 1.00 1.23 H new ATOM 0 HG23 THR A 86 -0.932 -11.041 -9.761 1.00 1.23 H new ATOM 1312 N GLY A 87 -2.747 -12.596 -8.582 1.00 24.42 N ATOM 1313 CA GLY A 87 -2.459 -14.008 -8.416 1.00 72.34 C ATOM 1314 C GLY A 87 -1.481 -14.495 -9.463 1.00 20.45 C ATOM 1315 O GLY A 87 -1.448 -15.678 -9.797 1.00 74.14 O ATOM 0 H GLY A 87 -2.329 -11.984 -7.881 1.00 24.42 H new ATOM 0 HA2 GLY A 87 -2.048 -14.183 -7.422 1.00 72.34 H new ATOM 0 HA3 GLY A 87 -3.384 -14.581 -8.484 1.00 72.34 H new ATOM 1319 N GLU A 88 -0.684 -13.560 -9.973 1.00 1.24 N ATOM 1320 CA GLU A 88 0.290 -13.836 -11.023 1.00 22.43 C ATOM 1321 C GLU A 88 1.358 -14.802 -10.526 1.00 13.43 C ATOM 1322 O GLU A 88 1.856 -15.640 -11.276 1.00 63.23 O ATOM 1323 CB GLU A 88 0.937 -12.524 -11.470 1.00 30.10 C ATOM 1324 CG GLU A 88 1.921 -12.673 -12.615 1.00 3.35 C ATOM 1325 CD GLU A 88 2.580 -11.359 -12.976 1.00 74.24 C ATOM 1326 OE1 GLU A 88 1.945 -10.555 -13.690 1.00 1.43 O ATOM 1327 OE2 GLU A 88 3.725 -11.124 -12.538 1.00 54.43 O ATOM 0 H GLU A 88 -0.696 -12.587 -9.668 1.00 1.24 H new ATOM 0 HA GLU A 88 -0.221 -14.298 -11.867 1.00 22.43 H new ATOM 0 HB2 GLU A 88 0.153 -11.829 -11.768 1.00 30.10 H new ATOM 0 HB3 GLU A 88 1.452 -12.078 -10.619 1.00 30.10 H new ATOM 0 HG2 GLU A 88 2.687 -13.399 -12.342 1.00 3.35 H new ATOM 0 HG3 GLU A 88 1.403 -13.070 -13.488 1.00 3.35 H new ATOM 1334 N TRP A 89 1.703 -14.672 -9.256 1.00 23.02 N ATOM 1335 CA TRP A 89 2.697 -15.533 -8.642 1.00 2.05 C ATOM 1336 C TRP A 89 2.018 -16.751 -8.028 1.00 40.12 C ATOM 1337 O TRP A 89 0.796 -16.774 -7.874 1.00 52.42 O ATOM 1338 CB TRP A 89 3.477 -14.765 -7.569 1.00 63.45 C ATOM 1339 CG TRP A 89 4.362 -13.683 -8.117 1.00 31.23 C ATOM 1340 CD1 TRP A 89 4.001 -12.668 -8.960 1.00 22.43 C ATOM 1341 CD2 TRP A 89 5.754 -13.496 -7.838 1.00 71.13 C ATOM 1342 NE1 TRP A 89 5.084 -11.868 -9.227 1.00 62.45 N ATOM 1343 CE2 TRP A 89 6.171 -12.354 -8.550 1.00 53.45 C ATOM 1344 CE3 TRP A 89 6.689 -14.183 -7.059 1.00 62.42 C ATOM 1345 CZ2 TRP A 89 7.479 -11.885 -8.500 1.00 34.00 C ATOM 1346 CZ3 TRP A 89 7.988 -13.716 -7.012 1.00 40.41 C ATOM 1347 CH2 TRP A 89 8.373 -12.575 -7.729 1.00 72.25 C ATOM 0 H TRP A 89 1.306 -13.974 -8.628 1.00 23.02 H new ATOM 0 HA TRP A 89 3.397 -15.865 -9.408 1.00 2.05 H new ATOM 0 HB2 TRP A 89 2.770 -14.322 -6.867 1.00 63.45 H new ATOM 0 HB3 TRP A 89 4.088 -15.469 -7.004 1.00 63.45 H new ATOM 0 HD1 TRP A 89 3.008 -12.518 -9.358 1.00 22.43 H new ATOM 0 HE1 TRP A 89 5.080 -11.046 -9.831 1.00 62.45 H new ATOM 0 HE3 TRP A 89 6.401 -15.063 -6.504 1.00 62.42 H new ATOM 0 HZ2 TRP A 89 7.779 -11.006 -9.051 1.00 34.00 H new ATOM 0 HZ3 TRP A 89 8.719 -14.239 -6.413 1.00 40.41 H new ATOM 0 HH2 TRP A 89 9.396 -12.234 -7.671 1.00 72.25 H new ATOM 1358 N LYS A 90 2.810 -17.760 -7.695 1.00 55.44 N ATOM 1359 CA LYS A 90 2.281 -18.973 -7.088 1.00 51.44 C ATOM 1360 C LYS A 90 1.876 -18.704 -5.645 1.00 73.34 C ATOM 1361 O LYS A 90 2.514 -17.917 -4.948 1.00 73.23 O ATOM 1362 CB LYS A 90 3.307 -20.111 -7.152 1.00 23.42 C ATOM 1363 CG LYS A 90 3.342 -20.879 -8.475 1.00 30.51 C ATOM 1364 CD LYS A 90 3.755 -20.012 -9.661 1.00 44.30 C ATOM 1365 CE LYS A 90 2.556 -19.427 -10.395 1.00 42.52 C ATOM 1366 NZ LYS A 90 1.684 -20.484 -10.968 1.00 34.11 N ATOM 0 H LYS A 90 3.820 -17.763 -7.835 1.00 55.44 H new ATOM 0 HA LYS A 90 1.400 -19.281 -7.650 1.00 51.44 H new ATOM 0 HB2 LYS A 90 4.298 -19.697 -6.963 1.00 23.42 H new ATOM 0 HB3 LYS A 90 3.097 -20.815 -6.347 1.00 23.42 H new ATOM 0 HG2 LYS A 90 4.036 -21.715 -8.385 1.00 30.51 H new ATOM 0 HG3 LYS A 90 2.356 -21.303 -8.668 1.00 30.51 H new ATOM 0 HD2 LYS A 90 4.394 -19.202 -9.311 1.00 44.30 H new ATOM 0 HD3 LYS A 90 4.348 -20.608 -10.355 1.00 44.30 H new ATOM 0 HE2 LYS A 90 1.976 -18.811 -9.708 1.00 42.52 H new ATOM 0 HE3 LYS A 90 2.904 -18.772 -11.194 1.00 42.52 H new ATOM 0 HZ1 LYS A 90 1.156 -20.098 -11.777 1.00 34.11 H new ATOM 0 HZ2 LYS A 90 2.270 -21.282 -11.286 1.00 34.11 H new ATOM 0 HZ3 LYS A 90 1.015 -20.813 -10.243 1.00 34.11 H new ATOM 1380 N ALA A 91 0.814 -19.357 -5.208 1.00 10.05 N ATOM 1381 CA ALA A 91 0.267 -19.120 -3.884 1.00 71.20 C ATOM 1382 C ALA A 91 0.731 -20.170 -2.888 1.00 43.43 C ATOM 1383 O ALA A 91 1.193 -21.243 -3.273 1.00 21.31 O ATOM 1384 CB ALA A 91 -1.247 -19.112 -3.947 1.00 13.03 C ATOM 0 H ALA A 91 0.312 -20.058 -5.753 1.00 10.05 H new ATOM 0 HA ALA A 91 0.629 -18.150 -3.543 1.00 71.20 H new ATOM 0 HB1 ALA A 91 -1.652 -18.934 -2.951 1.00 13.03 H new ATOM 0 HB2 ALA A 91 -1.579 -18.322 -4.620 1.00 13.03 H new ATOM 0 HB3 ALA A 91 -1.601 -20.075 -4.315 1.00 13.03 H new ATOM 1390 N LYS A 92 0.593 -19.862 -1.608 1.00 54.41 N ATOM 1391 CA LYS A 92 0.924 -20.815 -0.567 1.00 4.41 C ATOM 1392 C LYS A 92 -0.281 -21.710 -0.306 1.00 33.14 C ATOM 1393 O LYS A 92 -1.266 -21.268 0.295 1.00 23.52 O ATOM 1394 CB LYS A 92 1.326 -20.090 0.715 1.00 62.52 C ATOM 1395 CG LYS A 92 2.294 -20.880 1.578 1.00 13.21 C ATOM 1396 CD LYS A 92 3.644 -21.009 0.894 1.00 41.43 C ATOM 1397 CE LYS A 92 4.613 -21.841 1.712 1.00 14.34 C ATOM 1398 NZ LYS A 92 5.961 -21.868 1.094 1.00 74.44 N ATOM 0 H LYS A 92 0.255 -18.962 -1.268 1.00 54.41 H new ATOM 0 HA LYS A 92 1.768 -21.423 -0.894 1.00 4.41 H new ATOM 0 HB2 LYS A 92 1.780 -19.134 0.455 1.00 62.52 H new ATOM 0 HB3 LYS A 92 0.430 -19.870 1.295 1.00 62.52 H new ATOM 0 HG2 LYS A 92 2.415 -20.386 2.542 1.00 13.21 H new ATOM 0 HG3 LYS A 92 1.886 -21.871 1.777 1.00 13.21 H new ATOM 0 HD2 LYS A 92 3.512 -21.465 -0.087 1.00 41.43 H new ATOM 0 HD3 LYS A 92 4.065 -20.017 0.731 1.00 41.43 H new ATOM 0 HE2 LYS A 92 4.682 -21.434 2.721 1.00 14.34 H new ATOM 0 HE3 LYS A 92 4.233 -22.859 1.804 1.00 14.34 H new ATOM 0 HZ1 LYS A 92 6.599 -22.445 1.678 1.00 74.44 H new ATOM 0 HZ2 LYS A 92 5.898 -22.279 0.141 1.00 74.44 H new ATOM 0 HZ3 LYS A 92 6.333 -20.899 1.029 1.00 74.44 H new ATOM 1412 N ASN A 93 -0.206 -22.950 -0.799 1.00 0.05 N ATOM 1413 CA ASN A 93 -1.304 -23.921 -0.694 1.00 33.52 C ATOM 1414 C ASN A 93 -2.497 -23.496 -1.549 1.00 70.41 C ATOM 1415 O ASN A 93 -2.769 -24.086 -2.598 1.00 34.15 O ATOM 1416 CB ASN A 93 -1.750 -24.123 0.765 1.00 1.31 C ATOM 1417 CG ASN A 93 -0.735 -24.881 1.598 1.00 42.31 C ATOM 1418 OD1 ASN A 93 0.187 -24.293 2.167 1.00 43.14 O ATOM 1419 ND2 ASN A 93 -0.912 -26.188 1.699 1.00 11.05 N ATOM 0 H ASN A 93 0.617 -23.311 -1.282 1.00 0.05 H new ATOM 0 HA ASN A 93 -0.923 -24.872 -1.067 1.00 33.52 H new ATOM 0 HB2 ASN A 93 -1.931 -23.150 1.221 1.00 1.31 H new ATOM 0 HB3 ASN A 93 -2.697 -24.662 0.778 1.00 1.31 H new ATOM 0 HD21 ASN A 93 -0.273 -26.747 2.264 1.00 11.05 H new ATOM 0 HD22 ASN A 93 -1.688 -26.637 1.212 1.00 11.05 H new ATOM 1426 N GLU A 94 -3.194 -22.459 -1.103 1.00 65.43 N ATOM 1427 CA GLU A 94 -4.384 -21.962 -1.788 1.00 11.12 C ATOM 1428 C GLU A 94 -4.808 -20.603 -1.235 1.00 41.13 C ATOM 1429 O GLU A 94 -5.549 -19.867 -1.887 1.00 2.42 O ATOM 1430 CB GLU A 94 -5.541 -22.956 -1.647 1.00 51.21 C ATOM 1431 CG GLU A 94 -5.834 -23.355 -0.209 1.00 14.43 C ATOM 1432 CD GLU A 94 -7.007 -24.302 -0.104 1.00 24.21 C ATOM 1433 OE1 GLU A 94 -6.942 -25.400 -0.697 1.00 53.14 O ATOM 1434 OE2 GLU A 94 -7.996 -23.960 0.572 1.00 11.41 O ATOM 0 H GLU A 94 -2.953 -21.939 -0.259 1.00 65.43 H new ATOM 0 HA GLU A 94 -4.135 -21.848 -2.843 1.00 11.12 H new ATOM 0 HB2 GLU A 94 -6.439 -22.519 -2.083 1.00 51.21 H new ATOM 0 HB3 GLU A 94 -5.311 -23.852 -2.223 1.00 51.21 H new ATOM 0 HG2 GLU A 94 -4.950 -23.825 0.222 1.00 14.43 H new ATOM 0 HG3 GLU A 94 -6.038 -22.461 0.379 1.00 14.43 H new ATOM 1441 N PHE A 95 -4.317 -20.277 -0.037 1.00 20.23 N ATOM 1442 CA PHE A 95 -4.701 -19.049 0.662 1.00 0.03 C ATOM 1443 C PHE A 95 -4.511 -17.815 -0.217 1.00 70.12 C ATOM 1444 O PHE A 95 -5.433 -17.014 -0.389 1.00 45.31 O ATOM 1445 CB PHE A 95 -3.886 -18.910 1.955 1.00 53.03 C ATOM 1446 CG PHE A 95 -4.124 -17.623 2.695 1.00 13.23 C ATOM 1447 CD1 PHE A 95 -5.308 -17.408 3.386 1.00 55.41 C ATOM 1448 CD2 PHE A 95 -3.160 -16.626 2.701 1.00 23.42 C ATOM 1449 CE1 PHE A 95 -5.523 -16.225 4.068 1.00 20.24 C ATOM 1450 CE2 PHE A 95 -3.370 -15.443 3.382 1.00 43.20 C ATOM 1451 CZ PHE A 95 -4.553 -15.242 4.065 1.00 13.32 C ATOM 0 H PHE A 95 -3.647 -20.853 0.473 1.00 20.23 H new ATOM 0 HA PHE A 95 -5.761 -19.118 0.905 1.00 0.03 H new ATOM 0 HB2 PHE A 95 -4.125 -19.745 2.614 1.00 53.03 H new ATOM 0 HB3 PHE A 95 -2.826 -18.987 1.714 1.00 53.03 H new ATOM 0 HD1 PHE A 95 -6.070 -18.173 3.391 1.00 55.41 H new ATOM 0 HD2 PHE A 95 -2.234 -16.777 2.167 1.00 23.42 H new ATOM 0 HE1 PHE A 95 -6.448 -16.070 4.603 1.00 20.24 H new ATOM 0 HE2 PHE A 95 -2.610 -14.676 3.380 1.00 43.20 H new ATOM 0 HZ PHE A 95 -4.720 -14.317 4.597 1.00 13.32 H new ATOM 1461 N THR A 96 -3.321 -17.671 -0.782 1.00 22.23 N ATOM 1462 CA THR A 96 -3.002 -16.504 -1.587 1.00 53.52 C ATOM 1463 C THR A 96 -3.870 -16.440 -2.848 1.00 21.44 C ATOM 1464 O THR A 96 -4.313 -15.366 -3.239 1.00 4.44 O ATOM 1465 CB THR A 96 -1.517 -16.508 -1.988 1.00 3.32 C ATOM 1466 OG1 THR A 96 -0.724 -16.987 -0.891 1.00 53.45 O ATOM 1467 CG2 THR A 96 -1.050 -15.114 -2.388 1.00 34.51 C ATOM 0 H THR A 96 -2.562 -18.347 -0.697 1.00 22.23 H new ATOM 0 HA THR A 96 -3.209 -15.625 -0.977 1.00 53.52 H new ATOM 0 HB THR A 96 -1.397 -17.167 -2.848 1.00 3.32 H new ATOM 0 HG1 THR A 96 0.225 -16.842 -1.086 1.00 53.45 H new ATOM 0 HG21 THR A 96 0.003 -15.149 -2.666 1.00 34.51 H new ATOM 0 HG22 THR A 96 -1.638 -14.763 -3.236 1.00 34.51 H new ATOM 0 HG23 THR A 96 -1.181 -14.431 -1.548 1.00 34.51 H new ATOM 1475 N GLN A 97 -4.128 -17.596 -3.463 1.00 54.41 N ATOM 1476 CA GLN A 97 -4.922 -17.658 -4.684 1.00 33.53 C ATOM 1477 C GLN A 97 -6.351 -17.196 -4.432 1.00 44.25 C ATOM 1478 O GLN A 97 -6.893 -16.390 -5.187 1.00 30.40 O ATOM 1479 CB GLN A 97 -4.932 -19.083 -5.232 1.00 45.32 C ATOM 1480 CG GLN A 97 -3.758 -19.414 -6.139 1.00 3.12 C ATOM 1481 CD GLN A 97 -3.732 -18.572 -7.398 1.00 51.35 C ATOM 1482 OE1 GLN A 97 -4.336 -18.925 -8.405 1.00 32.23 O ATOM 1483 NE2 GLN A 97 -3.020 -17.458 -7.356 1.00 41.53 N ATOM 0 H GLN A 97 -3.796 -18.502 -3.132 1.00 54.41 H new ATOM 0 HA GLN A 97 -4.467 -16.991 -5.416 1.00 33.53 H new ATOM 0 HB2 GLN A 97 -4.937 -19.781 -4.395 1.00 45.32 H new ATOM 0 HB3 GLN A 97 -5.858 -19.241 -5.784 1.00 45.32 H new ATOM 0 HG2 GLN A 97 -2.828 -19.267 -5.590 1.00 3.12 H new ATOM 0 HG3 GLN A 97 -3.803 -20.468 -6.413 1.00 3.12 H new ATOM 0 HE21 GLN A 97 -2.531 -17.197 -6.500 1.00 41.53 H new ATOM 0 HE22 GLN A 97 -2.960 -16.860 -8.180 1.00 41.53 H new ATOM 1492 N ALA A 98 -6.947 -17.709 -3.361 1.00 35.52 N ATOM 1493 CA ALA A 98 -8.319 -17.375 -3.010 1.00 14.12 C ATOM 1494 C ALA A 98 -8.477 -15.875 -2.791 1.00 63.12 C ATOM 1495 O ALA A 98 -9.422 -15.263 -3.288 1.00 70.43 O ATOM 1496 CB ALA A 98 -8.743 -18.143 -1.766 1.00 71.45 C ATOM 0 H ALA A 98 -6.497 -18.361 -2.719 1.00 35.52 H new ATOM 0 HA ALA A 98 -8.965 -17.663 -3.839 1.00 14.12 H new ATOM 0 HB1 ALA A 98 -9.771 -17.885 -1.512 1.00 71.45 H new ATOM 0 HB2 ALA A 98 -8.674 -19.214 -1.958 1.00 71.45 H new ATOM 0 HB3 ALA A 98 -8.088 -17.881 -0.935 1.00 71.45 H new ATOM 1502 N TYR A 99 -7.534 -15.281 -2.072 1.00 15.22 N ATOM 1503 CA TYR A 99 -7.607 -13.862 -1.761 1.00 23.01 C ATOM 1504 C TYR A 99 -7.261 -13.021 -2.988 1.00 74.43 C ATOM 1505 O TYR A 99 -7.828 -11.946 -3.195 1.00 11.13 O ATOM 1506 CB TYR A 99 -6.673 -13.512 -0.602 1.00 14.34 C ATOM 1507 CG TYR A 99 -7.031 -12.210 0.076 1.00 4.34 C ATOM 1508 CD1 TYR A 99 -8.163 -12.119 0.875 1.00 51.23 C ATOM 1509 CD2 TYR A 99 -6.253 -11.073 -0.091 1.00 31.34 C ATOM 1510 CE1 TYR A 99 -8.508 -10.931 1.490 1.00 64.31 C ATOM 1511 CE2 TYR A 99 -6.593 -9.882 0.519 1.00 73.01 C ATOM 1512 CZ TYR A 99 -7.722 -9.817 1.308 1.00 52.34 C ATOM 1513 OH TYR A 99 -8.068 -8.630 1.911 1.00 41.52 O ATOM 0 H TYR A 99 -6.714 -15.757 -1.696 1.00 15.22 H new ATOM 0 HA TYR A 99 -8.631 -13.636 -1.462 1.00 23.01 H new ATOM 0 HB2 TYR A 99 -6.699 -14.316 0.133 1.00 14.34 H new ATOM 0 HB3 TYR A 99 -5.650 -13.452 -0.973 1.00 14.34 H new ATOM 0 HD1 TYR A 99 -8.784 -12.991 1.018 1.00 51.23 H new ATOM 0 HD2 TYR A 99 -5.368 -11.121 -0.708 1.00 31.34 H new ATOM 0 HE1 TYR A 99 -9.390 -10.877 2.110 1.00 64.31 H new ATOM 0 HE2 TYR A 99 -5.978 -9.006 0.379 1.00 73.01 H new ATOM 0 HH TYR A 99 -8.544 -8.815 2.748 1.00 41.52 H new ATOM 1523 N ALA A 100 -6.339 -13.524 -3.804 1.00 73.21 N ATOM 1524 CA ALA A 100 -5.920 -12.830 -5.017 1.00 14.25 C ATOM 1525 C ALA A 100 -7.085 -12.642 -5.972 1.00 64.12 C ATOM 1526 O ALA A 100 -7.245 -11.581 -6.569 1.00 25.21 O ATOM 1527 CB ALA A 100 -4.797 -13.590 -5.707 1.00 32.44 C ATOM 0 H ALA A 100 -5.866 -14.414 -3.646 1.00 73.21 H new ATOM 0 HA ALA A 100 -5.554 -11.845 -4.726 1.00 14.25 H new ATOM 0 HB1 ALA A 100 -4.498 -13.057 -6.610 1.00 32.44 H new ATOM 0 HB2 ALA A 100 -3.944 -13.670 -5.033 1.00 32.44 H new ATOM 0 HB3 ALA A 100 -5.143 -14.589 -5.973 1.00 32.44 H new ATOM 1533 N LYS A 101 -7.906 -13.674 -6.107 1.00 72.54 N ATOM 1534 CA LYS A 101 -9.061 -13.616 -6.990 1.00 72.54 C ATOM 1535 C LYS A 101 -10.108 -12.648 -6.444 1.00 33.35 C ATOM 1536 O LYS A 101 -10.850 -12.030 -7.208 1.00 62.20 O ATOM 1537 CB LYS A 101 -9.663 -15.010 -7.176 1.00 44.31 C ATOM 1538 CG LYS A 101 -8.680 -16.020 -7.753 1.00 41.32 C ATOM 1539 CD LYS A 101 -9.316 -17.386 -7.949 1.00 0.34 C ATOM 1540 CE LYS A 101 -10.320 -17.377 -9.089 1.00 1.15 C ATOM 1541 NZ LYS A 101 -10.994 -18.692 -9.241 1.00 72.31 N ATOM 0 H LYS A 101 -7.793 -14.561 -5.616 1.00 72.54 H new ATOM 0 HA LYS A 101 -8.732 -13.250 -7.963 1.00 72.54 H new ATOM 0 HB2 LYS A 101 -10.023 -15.374 -6.214 1.00 44.31 H new ATOM 0 HB3 LYS A 101 -10.529 -14.939 -7.835 1.00 44.31 H new ATOM 0 HG2 LYS A 101 -8.304 -15.655 -8.709 1.00 41.32 H new ATOM 0 HG3 LYS A 101 -7.822 -16.112 -7.087 1.00 41.32 H new ATOM 0 HD2 LYS A 101 -8.540 -18.124 -8.153 1.00 0.34 H new ATOM 0 HD3 LYS A 101 -9.813 -17.692 -7.028 1.00 0.34 H new ATOM 0 HE2 LYS A 101 -11.067 -16.604 -8.909 1.00 1.15 H new ATOM 0 HE3 LYS A 101 -9.812 -17.119 -10.018 1.00 1.15 H new ATOM 0 HZ1 LYS A 101 -11.671 -18.646 -10.029 1.00 72.31 H new ATOM 0 HZ2 LYS A 101 -10.284 -19.426 -9.438 1.00 72.31 H new ATOM 0 HZ3 LYS A 101 -11.500 -18.926 -8.363 1.00 72.31 H new ATOM 1555 N LEU A 102 -10.150 -12.506 -5.124 1.00 31.24 N ATOM 1556 CA LEU A 102 -11.067 -11.569 -4.485 1.00 74.22 C ATOM 1557 C LEU A 102 -10.659 -10.133 -4.797 1.00 31.00 C ATOM 1558 O LEU A 102 -11.506 -9.286 -5.085 1.00 25.43 O ATOM 1559 CB LEU A 102 -11.106 -11.790 -2.969 1.00 53.34 C ATOM 1560 CG LEU A 102 -11.653 -13.147 -2.521 1.00 34.24 C ATOM 1561 CD1 LEU A 102 -11.597 -13.273 -1.006 1.00 2.54 C ATOM 1562 CD2 LEU A 102 -13.078 -13.338 -3.019 1.00 53.13 C ATOM 0 H LEU A 102 -9.560 -13.027 -4.476 1.00 31.24 H new ATOM 0 HA LEU A 102 -12.066 -11.747 -4.883 1.00 74.22 H new ATOM 0 HB2 LEU A 102 -10.096 -11.676 -2.575 1.00 53.34 H new ATOM 0 HB3 LEU A 102 -11.714 -11.005 -2.519 1.00 53.34 H new ATOM 0 HG LEU A 102 -11.028 -13.928 -2.954 1.00 34.24 H new ATOM 0 HD11 LEU A 102 -11.990 -14.245 -0.707 1.00 2.54 H new ATOM 0 HD12 LEU A 102 -10.564 -13.181 -0.671 1.00 2.54 H new ATOM 0 HD13 LEU A 102 -12.197 -12.484 -0.553 1.00 2.54 H new ATOM 0 HD21 LEU A 102 -13.451 -14.308 -2.691 1.00 53.13 H new ATOM 0 HD22 LEU A 102 -13.713 -12.550 -2.615 1.00 53.13 H new ATOM 0 HD23 LEU A 102 -13.092 -13.293 -4.108 1.00 53.13 H new ATOM 1574 N MET A 103 -9.357 -9.869 -4.751 1.00 23.01 N ATOM 1575 CA MET A 103 -8.831 -8.555 -5.106 1.00 24.05 C ATOM 1576 C MET A 103 -8.904 -8.335 -6.610 1.00 72.31 C ATOM 1577 O MET A 103 -9.187 -7.231 -7.080 1.00 75.33 O ATOM 1578 CB MET A 103 -7.386 -8.396 -4.629 1.00 44.11 C ATOM 1579 CG MET A 103 -7.262 -8.010 -3.166 1.00 73.41 C ATOM 1580 SD MET A 103 -5.561 -7.640 -2.693 1.00 65.24 S ATOM 1581 CE MET A 103 -5.805 -6.934 -1.065 1.00 22.22 C ATOM 0 H MET A 103 -8.647 -10.546 -4.472 1.00 23.01 H new ATOM 0 HA MET A 103 -9.447 -7.806 -4.608 1.00 24.05 H new ATOM 0 HB2 MET A 103 -6.854 -9.333 -4.794 1.00 44.11 H new ATOM 0 HB3 MET A 103 -6.894 -7.638 -5.238 1.00 44.11 H new ATOM 0 HG2 MET A 103 -7.888 -7.140 -2.968 1.00 73.41 H new ATOM 0 HG3 MET A 103 -7.640 -8.823 -2.546 1.00 73.41 H new ATOM 0 HE1 MET A 103 -5.022 -7.287 -0.394 1.00 22.22 H new ATOM 0 HE2 MET A 103 -5.764 -5.847 -1.130 1.00 22.22 H new ATOM 0 HE3 MET A 103 -6.778 -7.238 -0.679 1.00 22.22 H new ATOM 1591 N ASN A 104 -8.657 -9.397 -7.360 1.00 73.41 N ATOM 1592 CA ASN A 104 -8.686 -9.346 -8.815 1.00 45.21 C ATOM 1593 C ASN A 104 -10.081 -9.004 -9.321 1.00 1.54 C ATOM 1594 O ASN A 104 -10.235 -8.338 -10.343 1.00 62.11 O ATOM 1595 CB ASN A 104 -8.242 -10.694 -9.383 1.00 0.32 C ATOM 1596 CG ASN A 104 -8.027 -10.661 -10.881 1.00 5.11 C ATOM 1597 OD1 ASN A 104 -8.928 -10.968 -11.662 1.00 34.02 O ATOM 1598 ND2 ASN A 104 -6.830 -10.272 -11.289 1.00 50.25 N ATOM 0 H ASN A 104 -8.431 -10.316 -6.980 1.00 73.41 H new ATOM 0 HA ASN A 104 -8.003 -8.565 -9.148 1.00 45.21 H new ATOM 0 HB2 ASN A 104 -7.317 -11.001 -8.895 1.00 0.32 H new ATOM 0 HB3 ASN A 104 -8.993 -11.448 -9.145 1.00 0.32 H new ATOM 0 HD21 ASN A 104 -6.624 -10.217 -12.286 1.00 50.25 H new ATOM 0 HD22 ASN A 104 -6.113 -10.027 -10.606 1.00 50.25 H new ATOM 1605 N GLN A 105 -11.086 -9.458 -8.584 1.00 43.51 N ATOM 1606 CA GLN A 105 -12.479 -9.244 -8.937 1.00 2.22 C ATOM 1607 C GLN A 105 -12.788 -7.761 -9.165 1.00 44.44 C ATOM 1608 O GLN A 105 -13.403 -7.396 -10.170 1.00 14.24 O ATOM 1609 CB GLN A 105 -13.356 -9.810 -7.822 1.00 72.14 C ATOM 1610 CG GLN A 105 -14.722 -10.284 -8.275 1.00 25.11 C ATOM 1611 CD GLN A 105 -15.734 -9.165 -8.458 1.00 20.03 C ATOM 1612 OE1 GLN A 105 -16.603 -9.243 -9.329 1.00 65.13 O ATOM 1613 NE2 GLN A 105 -15.659 -8.140 -7.620 1.00 72.41 N ATOM 0 H GLN A 105 -10.955 -9.987 -7.722 1.00 43.51 H new ATOM 0 HA GLN A 105 -12.687 -9.757 -9.876 1.00 2.22 H new ATOM 0 HB2 GLN A 105 -12.833 -10.644 -7.354 1.00 72.14 H new ATOM 0 HB3 GLN A 105 -13.486 -9.045 -7.056 1.00 72.14 H new ATOM 0 HG2 GLN A 105 -14.615 -10.821 -9.217 1.00 25.11 H new ATOM 0 HG3 GLN A 105 -15.109 -10.995 -7.545 1.00 25.11 H new ATOM 0 HE21 GLN A 105 -14.925 -8.112 -6.913 1.00 72.41 H new ATOM 0 HE22 GLN A 105 -16.336 -7.379 -7.683 1.00 72.41 H new ATOM 1622 N TYR A 106 -12.346 -6.905 -8.249 1.00 22.14 N ATOM 1623 CA TYR A 106 -12.636 -5.481 -8.353 1.00 30.21 C ATOM 1624 C TYR A 106 -11.418 -4.702 -8.849 1.00 62.51 C ATOM 1625 O TYR A 106 -11.354 -3.478 -8.726 1.00 14.14 O ATOM 1626 CB TYR A 106 -13.135 -4.926 -7.009 1.00 34.45 C ATOM 1627 CG TYR A 106 -12.111 -4.916 -5.888 1.00 21.12 C ATOM 1628 CD1 TYR A 106 -11.718 -6.092 -5.263 1.00 45.22 C ATOM 1629 CD2 TYR A 106 -11.552 -3.724 -5.445 1.00 13.24 C ATOM 1630 CE1 TYR A 106 -10.797 -6.079 -4.232 1.00 34.12 C ATOM 1631 CE2 TYR A 106 -10.630 -3.705 -4.417 1.00 10.20 C ATOM 1632 CZ TYR A 106 -10.255 -4.884 -3.815 1.00 11.42 C ATOM 1633 OH TYR A 106 -9.339 -4.864 -2.788 1.00 4.55 O ATOM 0 H TYR A 106 -11.791 -7.170 -7.435 1.00 22.14 H new ATOM 0 HA TYR A 106 -13.431 -5.355 -9.088 1.00 30.21 H new ATOM 0 HB2 TYR A 106 -13.488 -3.907 -7.165 1.00 34.45 H new ATOM 0 HB3 TYR A 106 -13.994 -5.515 -6.688 1.00 34.45 H new ATOM 0 HD1 TYR A 106 -12.139 -7.032 -5.588 1.00 45.22 H new ATOM 0 HD2 TYR A 106 -11.844 -2.795 -5.913 1.00 13.24 H new ATOM 0 HE1 TYR A 106 -10.504 -7.003 -3.755 1.00 34.12 H new ATOM 0 HE2 TYR A 106 -10.205 -2.769 -4.087 1.00 10.20 H new ATOM 0 HH TYR A 106 -9.056 -3.941 -2.620 1.00 4.55 H new ATOM 1643 N ARG A 107 -10.455 -5.413 -9.430 1.00 54.32 N ATOM 1644 CA ARG A 107 -9.283 -4.766 -10.004 1.00 31.41 C ATOM 1645 C ARG A 107 -9.685 -4.024 -11.276 1.00 65.24 C ATOM 1646 O ARG A 107 -10.635 -4.417 -11.954 1.00 55.54 O ATOM 1647 CB ARG A 107 -8.189 -5.794 -10.313 1.00 11.01 C ATOM 1648 CG ARG A 107 -6.830 -5.167 -10.596 1.00 62.03 C ATOM 1649 CD ARG A 107 -5.814 -6.196 -11.070 1.00 42.21 C ATOM 1650 NE ARG A 107 -6.139 -6.714 -12.398 1.00 33.53 N ATOM 1651 CZ ARG A 107 -5.241 -7.201 -13.254 1.00 34.31 C ATOM 1652 NH1 ARG A 107 -3.955 -7.266 -12.918 1.00 34.05 N ATOM 1653 NH2 ARG A 107 -5.633 -7.616 -14.449 1.00 71.23 N ATOM 0 H ARG A 107 -10.464 -6.429 -9.515 1.00 54.32 H new ATOM 0 HA ARG A 107 -8.883 -4.056 -9.280 1.00 31.41 H new ATOM 0 HB2 ARG A 107 -8.096 -6.479 -9.470 1.00 11.01 H new ATOM 0 HB3 ARG A 107 -8.493 -6.389 -11.175 1.00 11.01 H new ATOM 0 HG2 ARG A 107 -6.940 -4.391 -11.353 1.00 62.03 H new ATOM 0 HG3 ARG A 107 -6.460 -4.682 -9.693 1.00 62.03 H new ATOM 0 HD2 ARG A 107 -4.822 -5.744 -11.090 1.00 42.21 H new ATOM 0 HD3 ARG A 107 -5.774 -7.021 -10.359 1.00 42.21 H new ATOM 0 HE ARG A 107 -7.117 -6.702 -12.688 1.00 33.53 H new ATOM 0 HH11 ARG A 107 -3.651 -6.942 -12.000 1.00 34.05 H new ATOM 0 HH12 ARG A 107 -3.274 -7.640 -13.578 1.00 34.05 H new ATOM 0 HH21 ARG A 107 -6.618 -7.562 -14.710 1.00 71.23 H new ATOM 0 HH22 ARG A 107 -4.950 -7.990 -15.108 1.00 71.23 H new ATOM 1667 N GLY A 108 -8.975 -2.952 -11.588 1.00 52.00 N ATOM 1668 CA GLY A 108 -9.322 -2.136 -12.736 1.00 12.02 C ATOM 1669 C GLY A 108 -9.562 -0.704 -12.324 1.00 20.42 C ATOM 1670 O GLY A 108 -9.101 0.228 -12.978 1.00 34.22 O ATOM 0 H GLY A 108 -8.161 -2.630 -11.065 1.00 52.00 H new ATOM 0 HA2 GLY A 108 -8.520 -2.177 -13.473 1.00 12.02 H new ATOM 0 HA3 GLY A 108 -10.216 -2.536 -13.215 1.00 12.02 H new ATOM 1674 N ILE A 109 -10.300 -0.537 -11.231 1.00 71.54 N ATOM 1675 CA ILE A 109 -10.460 0.766 -10.601 1.00 70.32 C ATOM 1676 C ILE A 109 -9.149 1.147 -9.940 1.00 51.12 C ATOM 1677 O ILE A 109 -8.724 2.303 -9.968 1.00 71.34 O ATOM 1678 CB ILE A 109 -11.578 0.736 -9.541 1.00 31.22 C ATOM 1679 CG1 ILE A 109 -12.849 0.127 -10.134 1.00 44.44 C ATOM 1680 CG2 ILE A 109 -11.853 2.139 -9.013 1.00 43.13 C ATOM 1681 CD1 ILE A 109 -13.913 -0.172 -9.105 1.00 24.23 C ATOM 0 H ILE A 109 -10.799 -1.293 -10.762 1.00 71.54 H new ATOM 0 HA ILE A 109 -10.734 1.496 -11.362 1.00 70.32 H new ATOM 0 HB ILE A 109 -11.251 0.116 -8.706 1.00 31.22 H new ATOM 0 HG12 ILE A 109 -13.257 0.811 -10.878 1.00 44.44 H new ATOM 0 HG13 ILE A 109 -12.591 -0.794 -10.656 1.00 44.44 H new ATOM 0 HG21 ILE A 109 -12.645 2.098 -8.266 1.00 43.13 H new ATOM 0 HG22 ILE A 109 -10.947 2.541 -8.560 1.00 43.13 H new ATOM 0 HG23 ILE A 109 -12.164 2.783 -9.836 1.00 43.13 H new ATOM 0 HD11 ILE A 109 -14.785 -0.602 -9.598 1.00 24.23 H new ATOM 0 HD12 ILE A 109 -13.523 -0.880 -8.374 1.00 24.23 H new ATOM 0 HD13 ILE A 109 -14.200 0.750 -8.599 1.00 24.23 H new ATOM 1693 N TYR A 110 -8.514 0.147 -9.348 1.00 45.21 N ATOM 1694 CA TYR A 110 -7.174 0.294 -8.829 1.00 75.32 C ATOM 1695 C TYR A 110 -6.248 -0.630 -9.607 1.00 23.23 C ATOM 1696 O TYR A 110 -6.666 -1.698 -10.069 1.00 2.31 O ATOM 1697 CB TYR A 110 -7.119 -0.025 -7.328 1.00 1.41 C ATOM 1698 CG TYR A 110 -7.169 -1.502 -6.998 1.00 4.43 C ATOM 1699 CD1 TYR A 110 -8.344 -2.228 -7.132 1.00 22.23 C ATOM 1700 CD2 TYR A 110 -6.034 -2.166 -6.551 1.00 23.41 C ATOM 1701 CE1 TYR A 110 -8.385 -3.572 -6.830 1.00 32.32 C ATOM 1702 CE2 TYR A 110 -6.069 -3.513 -6.246 1.00 63.44 C ATOM 1703 CZ TYR A 110 -7.247 -4.211 -6.388 1.00 51.12 C ATOM 1704 OH TYR A 110 -7.293 -5.548 -6.080 1.00 64.14 O ATOM 0 H TYR A 110 -8.915 -0.782 -9.217 1.00 45.21 H new ATOM 0 HA TYR A 110 -6.854 1.329 -8.950 1.00 75.32 H new ATOM 0 HB2 TYR A 110 -6.203 0.396 -6.913 1.00 1.41 H new ATOM 0 HB3 TYR A 110 -7.952 0.474 -6.833 1.00 1.41 H new ATOM 0 HD1 TYR A 110 -9.239 -1.733 -7.478 1.00 22.23 H new ATOM 0 HD2 TYR A 110 -5.109 -1.620 -6.440 1.00 23.41 H new ATOM 0 HE1 TYR A 110 -9.307 -4.123 -6.940 1.00 32.32 H new ATOM 0 HE2 TYR A 110 -5.178 -4.015 -5.898 1.00 63.44 H new ATOM 0 HH TYR A 110 -8.097 -5.947 -6.474 1.00 64.14 H new ATOM 1714 N SER A 111 -5.012 -0.211 -9.761 1.00 51.25 N ATOM 1715 CA SER A 111 -4.027 -0.966 -10.509 1.00 14.10 C ATOM 1716 C SER A 111 -2.641 -0.514 -10.088 1.00 44.33 C ATOM 1717 O SER A 111 -2.509 0.504 -9.417 1.00 62.43 O ATOM 1718 CB SER A 111 -4.233 -0.739 -12.010 1.00 11.12 C ATOM 1719 OG SER A 111 -4.326 0.649 -12.307 1.00 14.41 O ATOM 0 H SER A 111 -4.659 0.663 -9.372 1.00 51.25 H new ATOM 0 HA SER A 111 -4.136 -2.031 -10.304 1.00 14.10 H new ATOM 0 HB2 SER A 111 -3.404 -1.179 -12.565 1.00 11.12 H new ATOM 0 HB3 SER A 111 -5.141 -1.246 -12.337 1.00 11.12 H new ATOM 0 HG SER A 111 -4.456 0.769 -13.271 1.00 14.41 H new ATOM 1725 N PHE A 112 -1.619 -1.258 -10.462 1.00 3.24 N ATOM 1726 CA PHE A 112 -0.261 -0.856 -10.149 1.00 60.14 C ATOM 1727 C PHE A 112 0.622 -0.904 -11.386 1.00 33.32 C ATOM 1728 O PHE A 112 0.577 -1.856 -12.163 1.00 3.22 O ATOM 1729 CB PHE A 112 0.328 -1.734 -9.042 1.00 2.35 C ATOM 1730 CG PHE A 112 -0.332 -1.541 -7.703 1.00 43.13 C ATOM 1731 CD1 PHE A 112 0.128 -0.576 -6.822 1.00 25.15 C ATOM 1732 CD2 PHE A 112 -1.414 -2.322 -7.329 1.00 12.01 C ATOM 1733 CE1 PHE A 112 -0.476 -0.394 -5.593 1.00 72.23 C ATOM 1734 CE2 PHE A 112 -2.022 -2.145 -6.102 1.00 24.11 C ATOM 1735 CZ PHE A 112 -1.554 -1.181 -5.232 1.00 1.34 C ATOM 0 H PHE A 112 -1.700 -2.135 -10.977 1.00 3.24 H new ATOM 0 HA PHE A 112 -0.295 0.173 -9.792 1.00 60.14 H new ATOM 0 HB2 PHE A 112 0.239 -2.780 -9.334 1.00 2.35 H new ATOM 0 HB3 PHE A 112 1.392 -1.519 -8.947 1.00 2.35 H new ATOM 0 HD1 PHE A 112 0.969 0.042 -7.099 1.00 25.15 H new ATOM 0 HD2 PHE A 112 -1.786 -3.078 -8.005 1.00 12.01 H new ATOM 0 HE1 PHE A 112 -0.107 0.362 -4.915 1.00 72.23 H new ATOM 0 HE2 PHE A 112 -2.864 -2.761 -5.823 1.00 24.11 H new ATOM 0 HZ PHE A 112 -2.029 -1.042 -4.272 1.00 1.34 H new ATOM 1745 N GLU A 113 1.428 0.132 -11.538 1.00 73.31 N ATOM 1746 CA GLU A 113 2.362 0.254 -12.645 1.00 72.33 C ATOM 1747 C GLU A 113 3.726 0.614 -12.092 1.00 4.00 C ATOM 1748 O GLU A 113 3.818 1.214 -11.018 1.00 23.44 O ATOM 1749 CB GLU A 113 1.903 1.349 -13.615 1.00 1.42 C ATOM 1750 CG GLU A 113 0.678 0.986 -14.439 1.00 73.41 C ATOM 1751 CD GLU A 113 0.970 -0.073 -15.478 1.00 54.13 C ATOM 1752 OE1 GLU A 113 1.692 0.228 -16.451 1.00 72.22 O ATOM 1753 OE2 GLU A 113 0.484 -1.210 -15.335 1.00 52.25 O ATOM 0 H GLU A 113 1.453 0.920 -10.891 1.00 73.31 H new ATOM 0 HA GLU A 113 2.408 -0.693 -13.184 1.00 72.33 H new ATOM 0 HB2 GLU A 113 1.688 2.254 -13.047 1.00 1.42 H new ATOM 0 HB3 GLU A 113 2.724 1.585 -14.292 1.00 1.42 H new ATOM 0 HG2 GLU A 113 -0.110 0.631 -13.775 1.00 73.41 H new ATOM 0 HG3 GLU A 113 0.299 1.880 -14.934 1.00 73.41 H new ATOM 1760 N LYS A 114 4.779 0.254 -12.805 1.00 24.31 N ATOM 1761 CA LYS A 114 6.115 0.618 -12.376 1.00 41.11 C ATOM 1762 C LYS A 114 6.564 1.865 -13.126 1.00 71.52 C ATOM 1763 O LYS A 114 7.322 1.793 -14.094 1.00 30.42 O ATOM 1764 CB LYS A 114 7.094 -0.536 -12.600 1.00 71.12 C ATOM 1765 CG LYS A 114 8.420 -0.350 -11.883 1.00 45.34 C ATOM 1766 CD LYS A 114 9.351 -1.528 -12.108 1.00 22.11 C ATOM 1767 CE LYS A 114 10.637 -1.367 -11.318 1.00 52.20 C ATOM 1768 NZ LYS A 114 11.593 -2.469 -11.579 1.00 51.23 N ATOM 0 H LYS A 114 4.736 -0.282 -13.671 1.00 24.31 H new ATOM 0 HA LYS A 114 6.100 0.831 -11.307 1.00 41.11 H new ATOM 0 HB2 LYS A 114 6.634 -1.464 -12.262 1.00 71.12 H new ATOM 0 HB3 LYS A 114 7.279 -0.643 -13.669 1.00 71.12 H new ATOM 0 HG2 LYS A 114 8.898 0.564 -12.234 1.00 45.34 H new ATOM 0 HG3 LYS A 114 8.242 -0.226 -10.815 1.00 45.34 H new ATOM 0 HD2 LYS A 114 8.852 -2.451 -11.813 1.00 22.11 H new ATOM 0 HD3 LYS A 114 9.581 -1.616 -13.170 1.00 22.11 H new ATOM 0 HE2 LYS A 114 11.103 -0.415 -11.574 1.00 52.20 H new ATOM 0 HE3 LYS A 114 10.406 -1.332 -10.253 1.00 52.20 H new ATOM 0 HZ1 LYS A 114 12.457 -2.319 -11.019 1.00 51.23 H new ATOM 0 HZ2 LYS A 114 11.160 -3.375 -11.311 1.00 51.23 H new ATOM 0 HZ3 LYS A 114 11.835 -2.487 -12.590 1.00 51.23 H new ATOM 1782 N VAL A 115 6.049 3.001 -12.688 1.00 30.11 N ATOM 1783 CA VAL A 115 6.372 4.284 -13.288 1.00 61.41 C ATOM 1784 C VAL A 115 6.609 5.314 -12.192 1.00 4.42 C ATOM 1785 O VAL A 115 5.844 5.397 -11.231 1.00 24.25 O ATOM 1786 CB VAL A 115 5.253 4.762 -14.251 1.00 75.15 C ATOM 1787 CG1 VAL A 115 3.915 4.878 -13.534 1.00 61.03 C ATOM 1788 CG2 VAL A 115 5.627 6.085 -14.905 1.00 23.12 C ATOM 0 H VAL A 115 5.396 3.060 -11.907 1.00 30.11 H new ATOM 0 HA VAL A 115 7.281 4.167 -13.879 1.00 61.41 H new ATOM 0 HB VAL A 115 5.149 4.010 -15.033 1.00 75.15 H new ATOM 0 HG11 VAL A 115 3.153 5.215 -14.237 1.00 61.03 H new ATOM 0 HG12 VAL A 115 3.632 3.905 -13.132 1.00 61.03 H new ATOM 0 HG13 VAL A 115 4.000 5.597 -12.719 1.00 61.03 H new ATOM 0 HG21 VAL A 115 4.827 6.399 -15.575 1.00 23.12 H new ATOM 0 HG22 VAL A 115 5.774 6.843 -14.135 1.00 23.12 H new ATOM 0 HG23 VAL A 115 6.549 5.962 -15.473 1.00 23.12 H new ATOM 1798 N LYS A 116 7.676 6.082 -12.326 1.00 43.44 N ATOM 1799 CA LYS A 116 8.052 7.047 -11.303 1.00 3.30 C ATOM 1800 C LYS A 116 7.106 8.239 -11.293 1.00 71.14 C ATOM 1801 O LYS A 116 6.570 8.632 -12.330 1.00 55.04 O ATOM 1802 CB LYS A 116 9.490 7.514 -11.516 1.00 24.32 C ATOM 1803 CG LYS A 116 10.504 6.388 -11.416 1.00 31.24 C ATOM 1804 CD LYS A 116 10.461 5.728 -10.048 1.00 0.32 C ATOM 1805 CE LYS A 116 11.350 4.498 -9.993 1.00 53.00 C ATOM 1806 NZ LYS A 116 12.781 4.822 -10.243 1.00 71.03 N ATOM 0 H LYS A 116 8.299 6.057 -13.133 1.00 43.44 H new ATOM 0 HA LYS A 116 7.980 6.553 -10.334 1.00 3.30 H new ATOM 0 HB2 LYS A 116 9.572 7.982 -12.497 1.00 24.32 H new ATOM 0 HB3 LYS A 116 9.731 8.278 -10.777 1.00 24.32 H new ATOM 0 HG2 LYS A 116 10.303 5.645 -12.187 1.00 31.24 H new ATOM 0 HG3 LYS A 116 11.504 6.779 -11.603 1.00 31.24 H new ATOM 0 HD2 LYS A 116 10.779 6.442 -9.289 1.00 0.32 H new ATOM 0 HD3 LYS A 116 9.435 5.447 -9.811 1.00 0.32 H new ATOM 0 HE2 LYS A 116 11.252 4.026 -9.016 1.00 53.00 H new ATOM 0 HE3 LYS A 116 11.010 3.773 -10.733 1.00 53.00 H new ATOM 0 HZ1 LYS A 116 13.361 3.971 -10.095 1.00 71.03 H new ATOM 0 HZ2 LYS A 116 12.896 5.154 -11.222 1.00 71.03 H new ATOM 0 HZ3 LYS A 116 13.088 5.568 -9.587 1.00 71.03 H new ATOM 1820 N ALA A 117 6.908 8.808 -10.110 1.00 44.44 N ATOM 1821 CA ALA A 117 6.020 9.951 -9.941 1.00 30.30 C ATOM 1822 C ALA A 117 6.599 11.210 -10.576 1.00 70.34 C ATOM 1823 O ALA A 117 7.679 11.176 -11.170 1.00 5.15 O ATOM 1824 CB ALA A 117 5.753 10.187 -8.461 1.00 11.12 C ATOM 0 H ALA A 117 7.354 8.494 -9.248 1.00 44.44 H new ATOM 0 HA ALA A 117 5.082 9.724 -10.448 1.00 30.30 H new ATOM 0 HB1 ALA A 117 5.089 11.043 -8.343 1.00 11.12 H new ATOM 0 HB2 ALA A 117 5.285 9.302 -8.030 1.00 11.12 H new ATOM 0 HB3 ALA A 117 6.694 10.385 -7.949 1.00 11.12 H new ATOM 1830 N HIS A 118 5.866 12.318 -10.438 1.00 70.42 N ATOM 1831 CA HIS A 118 6.295 13.620 -10.954 1.00 44.52 C ATOM 1832 C HIS A 118 7.743 13.894 -10.554 1.00 24.12 C ATOM 1833 O HIS A 118 8.627 13.985 -11.404 1.00 54.41 O ATOM 1834 CB HIS A 118 5.368 14.716 -10.410 1.00 53.04 C ATOM 1835 CG HIS A 118 5.554 16.062 -11.045 1.00 44.24 C ATOM 1836 ND1 HIS A 118 4.793 16.498 -12.102 1.00 31.11 N ATOM 1837 CD2 HIS A 118 6.398 17.078 -10.748 1.00 71.35 C ATOM 1838 CE1 HIS A 118 5.158 17.723 -12.430 1.00 40.41 C ATOM 1839 NE2 HIS A 118 6.131 18.102 -11.622 1.00 30.21 N ATOM 0 H HIS A 118 4.961 12.338 -9.967 1.00 70.42 H new ATOM 0 HA HIS A 118 6.237 13.615 -12.042 1.00 44.52 H new ATOM 0 HB2 HIS A 118 4.334 14.402 -10.551 1.00 53.04 H new ATOM 0 HB3 HIS A 118 5.529 14.810 -9.336 1.00 53.04 H new ATOM 0 HD2 HIS A 118 7.144 17.082 -9.967 1.00 71.35 H new ATOM 0 HE1 HIS A 118 4.732 18.316 -13.226 1.00 40.41 H new ATOM 0 HE2 HIS A 118 6.605 19.005 -11.644 1.00 30.21 H new ATOM 1848 N SER A 119 7.974 14.024 -9.256 1.00 14.40 N ATOM 1849 CA SER A 119 9.325 14.117 -8.723 1.00 74.03 C ATOM 1850 C SER A 119 9.361 13.521 -7.322 1.00 43.42 C ATOM 1851 O SER A 119 10.325 13.696 -6.579 1.00 43.34 O ATOM 1852 CB SER A 119 9.795 15.576 -8.702 1.00 74.32 C ATOM 1853 OG SER A 119 11.144 15.676 -8.280 1.00 63.31 O ATOM 0 H SER A 119 7.240 14.068 -8.550 1.00 14.40 H new ATOM 0 HA SER A 119 10.002 13.555 -9.366 1.00 74.03 H new ATOM 0 HB2 SER A 119 9.690 16.009 -9.697 1.00 74.32 H new ATOM 0 HB3 SER A 119 9.159 16.156 -8.033 1.00 74.32 H new ATOM 0 HG SER A 119 11.314 15.023 -7.570 1.00 63.31 H new ATOM 1859 N GLY A 120 8.304 12.794 -6.982 1.00 73.42 N ATOM 1860 CA GLY A 120 8.160 12.282 -5.637 1.00 34.21 C ATOM 1861 C GLY A 120 7.396 13.247 -4.755 1.00 41.21 C ATOM 1862 O GLY A 120 7.848 14.365 -4.509 1.00 4.51 O ATOM 0 H GLY A 120 7.544 12.551 -7.617 1.00 73.42 H new ATOM 0 HA2 GLY A 120 7.641 11.324 -5.665 1.00 34.21 H new ATOM 0 HA3 GLY A 120 9.145 12.098 -5.209 1.00 34.21 H new ATOM 1866 N ASN A 121 6.230 12.830 -4.292 1.00 23.13 N ATOM 1867 CA ASN A 121 5.401 13.691 -3.464 1.00 42.34 C ATOM 1868 C ASN A 121 5.900 13.638 -2.026 1.00 50.23 C ATOM 1869 O ASN A 121 6.649 12.732 -1.657 1.00 62.12 O ATOM 1870 CB ASN A 121 3.936 13.246 -3.533 1.00 42.34 C ATOM 1871 CG ASN A 121 2.949 14.366 -3.233 1.00 41.24 C ATOM 1872 OD1 ASN A 121 3.257 15.322 -2.521 1.00 10.03 O ATOM 1873 ND2 ASN A 121 1.745 14.238 -3.759 1.00 52.13 N ATOM 0 H ASN A 121 5.837 11.906 -4.473 1.00 23.13 H new ATOM 0 HA ASN A 121 5.466 14.715 -3.832 1.00 42.34 H new ATOM 0 HB2 ASN A 121 3.731 12.848 -4.527 1.00 42.34 H new ATOM 0 HB3 ASN A 121 3.777 12.433 -2.825 1.00 42.34 H new ATOM 0 HD21 ASN A 121 1.033 14.946 -3.580 1.00 52.13 H new ATOM 0 HD22 ASN A 121 1.527 13.431 -4.344 1.00 52.13 H new ATOM 1880 N GLU A 122 5.476 14.597 -1.220 1.00 20.10 N ATOM 1881 CA GLU A 122 5.894 14.675 0.171 1.00 34.20 C ATOM 1882 C GLU A 122 5.416 13.451 0.949 1.00 14.33 C ATOM 1883 O GLU A 122 6.052 13.023 1.914 1.00 54.22 O ATOM 1884 CB GLU A 122 5.360 15.962 0.797 1.00 15.45 C ATOM 1885 CG GLU A 122 5.740 16.139 2.255 1.00 32.53 C ATOM 1886 CD GLU A 122 5.433 17.528 2.764 1.00 71.13 C ATOM 1887 OE1 GLU A 122 4.244 17.843 2.975 1.00 62.41 O ATOM 1888 OE2 GLU A 122 6.384 18.312 2.955 1.00 45.30 O ATOM 0 H GLU A 122 4.837 15.338 -1.508 1.00 20.10 H new ATOM 0 HA GLU A 122 6.983 14.689 0.213 1.00 34.20 H new ATOM 0 HB2 GLU A 122 5.734 16.813 0.228 1.00 15.45 H new ATOM 0 HB3 GLU A 122 4.273 15.973 0.711 1.00 15.45 H new ATOM 0 HG2 GLU A 122 5.204 15.407 2.859 1.00 32.53 H new ATOM 0 HG3 GLU A 122 6.804 15.937 2.378 1.00 32.53 H new ATOM 1895 N PHE A 123 4.309 12.874 0.499 1.00 51.43 N ATOM 1896 CA PHE A 123 3.765 11.676 1.122 1.00 1.31 C ATOM 1897 C PHE A 123 4.757 10.523 1.001 1.00 32.15 C ATOM 1898 O PHE A 123 4.887 9.708 1.918 1.00 52.24 O ATOM 1899 CB PHE A 123 2.428 11.298 0.476 1.00 64.52 C ATOM 1900 CG PHE A 123 1.402 12.395 0.531 1.00 72.20 C ATOM 1901 CD1 PHE A 123 0.854 12.790 1.739 1.00 42.10 C ATOM 1902 CD2 PHE A 123 0.983 13.027 -0.628 1.00 24.14 C ATOM 1903 CE1 PHE A 123 -0.091 13.798 1.791 1.00 10.11 C ATOM 1904 CE2 PHE A 123 0.039 14.034 -0.583 1.00 50.52 C ATOM 1905 CZ PHE A 123 -0.499 14.421 0.628 1.00 50.34 C ATOM 0 H PHE A 123 3.770 13.217 -0.296 1.00 51.43 H new ATOM 0 HA PHE A 123 3.593 11.880 2.179 1.00 1.31 H new ATOM 0 HB2 PHE A 123 2.601 11.026 -0.565 1.00 64.52 H new ATOM 0 HB3 PHE A 123 2.030 10.414 0.975 1.00 64.52 H new ATOM 0 HD1 PHE A 123 1.168 12.305 2.652 1.00 42.10 H new ATOM 0 HD2 PHE A 123 1.400 12.729 -1.579 1.00 24.14 H new ATOM 0 HE1 PHE A 123 -0.510 14.098 2.740 1.00 10.11 H new ATOM 0 HE2 PHE A 123 -0.278 14.518 -1.495 1.00 50.52 H new ATOM 0 HZ PHE A 123 -1.237 15.209 0.666 1.00 50.34 H new ATOM 1915 N ASN A 124 5.469 10.474 -0.124 1.00 22.34 N ATOM 1916 CA ASN A 124 6.479 9.445 -0.341 1.00 53.20 C ATOM 1917 C ASN A 124 7.607 9.606 0.663 1.00 74.44 C ATOM 1918 O ASN A 124 7.971 8.662 1.355 1.00 42.34 O ATOM 1919 CB ASN A 124 7.081 9.508 -1.754 1.00 62.22 C ATOM 1920 CG ASN A 124 6.063 9.368 -2.870 1.00 71.04 C ATOM 1921 OD1 ASN A 124 4.959 9.904 -2.800 1.00 51.02 O ATOM 1922 ND2 ASN A 124 6.433 8.638 -3.913 1.00 65.50 N ATOM 0 H ASN A 124 5.364 11.133 -0.895 1.00 22.34 H new ATOM 0 HA ASN A 124 5.981 8.483 -0.218 1.00 53.20 H new ATOM 0 HB2 ASN A 124 7.605 10.457 -1.872 1.00 62.22 H new ATOM 0 HB3 ASN A 124 7.826 8.718 -1.855 1.00 62.22 H new ATOM 0 HD21 ASN A 124 5.792 8.505 -4.695 1.00 65.50 H new ATOM 0 HD22 ASN A 124 7.358 8.210 -3.933 1.00 65.50 H new ATOM 1929 N ASP A 125 8.134 10.824 0.751 1.00 44.43 N ATOM 1930 CA ASP A 125 9.288 11.105 1.597 1.00 45.01 C ATOM 1931 C ASP A 125 8.983 10.801 3.060 1.00 30.14 C ATOM 1932 O ASP A 125 9.859 10.367 3.812 1.00 52.11 O ATOM 1933 CB ASP A 125 9.721 12.566 1.433 1.00 20.41 C ATOM 1934 CG ASP A 125 11.032 12.864 2.134 1.00 71.12 C ATOM 1935 OD1 ASP A 125 12.079 12.367 1.676 1.00 44.33 O ATOM 1936 OD2 ASP A 125 11.023 13.598 3.145 1.00 3.24 O ATOM 0 H ASP A 125 7.778 11.635 0.244 1.00 44.43 H new ATOM 0 HA ASP A 125 10.106 10.457 1.283 1.00 45.01 H new ATOM 0 HB2 ASP A 125 9.819 12.796 0.372 1.00 20.41 H new ATOM 0 HB3 ASP A 125 8.944 13.219 1.830 1.00 20.41 H new ATOM 1941 N TYR A 126 7.733 11.018 3.461 1.00 63.13 N ATOM 1942 CA TYR A 126 7.308 10.711 4.818 1.00 2.51 C ATOM 1943 C TYR A 126 7.363 9.210 5.082 1.00 3.53 C ATOM 1944 O TYR A 126 8.033 8.760 6.014 1.00 50.11 O ATOM 1945 CB TYR A 126 5.890 11.235 5.083 1.00 33.42 C ATOM 1946 CG TYR A 126 5.350 10.830 6.439 1.00 4.35 C ATOM 1947 CD1 TYR A 126 5.644 11.572 7.574 1.00 44.23 C ATOM 1948 CD2 TYR A 126 4.563 9.693 6.582 1.00 60.12 C ATOM 1949 CE1 TYR A 126 5.173 11.190 8.815 1.00 62.45 C ATOM 1950 CE2 TYR A 126 4.085 9.309 7.817 1.00 73.11 C ATOM 1951 CZ TYR A 126 4.394 10.059 8.929 1.00 64.11 C ATOM 1952 OH TYR A 126 3.933 9.666 10.164 1.00 30.43 O ATOM 0 H TYR A 126 7.001 11.404 2.865 1.00 63.13 H new ATOM 0 HA TYR A 126 7.998 11.211 5.498 1.00 2.51 H new ATOM 0 HB2 TYR A 126 5.891 12.323 5.009 1.00 33.42 H new ATOM 0 HB3 TYR A 126 5.221 10.864 4.307 1.00 33.42 H new ATOM 0 HD1 TYR A 126 6.250 12.461 7.486 1.00 44.23 H new ATOM 0 HD2 TYR A 126 4.322 9.101 5.712 1.00 60.12 H new ATOM 0 HE1 TYR A 126 5.414 11.774 9.691 1.00 62.45 H new ATOM 0 HE2 TYR A 126 3.472 8.425 7.911 1.00 73.11 H new ATOM 0 HH TYR A 126 3.398 8.850 10.069 1.00 30.43 H new ATOM 1962 N VAL A 127 6.661 8.435 4.256 1.00 63.10 N ATOM 1963 CA VAL A 127 6.567 6.997 4.474 1.00 71.33 C ATOM 1964 C VAL A 127 7.919 6.323 4.214 1.00 22.43 C ATOM 1965 O VAL A 127 8.259 5.321 4.847 1.00 52.32 O ATOM 1966 CB VAL A 127 5.451 6.352 3.607 1.00 44.30 C ATOM 1967 CG1 VAL A 127 5.826 6.316 2.133 1.00 20.51 C ATOM 1968 CG2 VAL A 127 5.113 4.961 4.118 1.00 52.24 C ATOM 0 H VAL A 127 6.155 8.776 3.439 1.00 63.10 H new ATOM 0 HA VAL A 127 6.296 6.840 5.518 1.00 71.33 H new ATOM 0 HB VAL A 127 4.563 6.978 3.696 1.00 44.30 H new ATOM 0 HG11 VAL A 127 5.018 5.857 1.563 1.00 20.51 H new ATOM 0 HG12 VAL A 127 5.991 7.332 1.775 1.00 20.51 H new ATOM 0 HG13 VAL A 127 6.738 5.733 2.004 1.00 20.51 H new ATOM 0 HG21 VAL A 127 4.329 4.526 3.498 1.00 52.24 H new ATOM 0 HG22 VAL A 127 6.002 4.331 4.074 1.00 52.24 H new ATOM 0 HG23 VAL A 127 4.765 5.027 5.149 1.00 52.24 H new ATOM 1978 N ASP A 128 8.692 6.901 3.302 1.00 14.03 N ATOM 1979 CA ASP A 128 10.043 6.432 3.013 1.00 24.02 C ATOM 1980 C ASP A 128 10.930 6.572 4.243 1.00 32.22 C ATOM 1981 O ASP A 128 11.621 5.630 4.638 1.00 10.03 O ATOM 1982 CB ASP A 128 10.633 7.223 1.843 1.00 0.22 C ATOM 1983 CG ASP A 128 12.116 6.986 1.656 1.00 14.14 C ATOM 1984 OD1 ASP A 128 12.490 5.956 1.061 1.00 24.55 O ATOM 1985 OD2 ASP A 128 12.917 7.838 2.095 1.00 24.44 O ATOM 0 H ASP A 128 8.402 7.704 2.744 1.00 14.03 H new ATOM 0 HA ASP A 128 9.995 5.378 2.740 1.00 24.02 H new ATOM 0 HB2 ASP A 128 10.109 6.951 0.927 1.00 0.22 H new ATOM 0 HB3 ASP A 128 10.458 8.287 2.006 1.00 0.22 H new ATOM 1990 N MET A 129 10.891 7.750 4.860 1.00 32.43 N ATOM 1991 CA MET A 129 11.667 8.006 6.068 1.00 11.14 C ATOM 1992 C MET A 129 11.219 7.080 7.195 1.00 25.12 C ATOM 1993 O MET A 129 12.040 6.577 7.963 1.00 43.43 O ATOM 1994 CB MET A 129 11.523 9.468 6.500 1.00 44.43 C ATOM 1995 CG MET A 129 12.374 9.837 7.708 1.00 52.34 C ATOM 1996 SD MET A 129 12.179 11.563 8.201 1.00 53.05 S ATOM 1997 CE MET A 129 10.446 11.600 8.651 1.00 44.32 C ATOM 0 H MET A 129 10.331 8.541 4.543 1.00 32.43 H new ATOM 0 HA MET A 129 12.716 7.809 5.848 1.00 11.14 H new ATOM 0 HB2 MET A 129 11.795 10.113 5.664 1.00 44.43 H new ATOM 0 HB3 MET A 129 10.476 9.668 6.729 1.00 44.43 H new ATOM 0 HG2 MET A 129 12.107 9.192 8.545 1.00 52.34 H new ATOM 0 HG3 MET A 129 13.423 9.645 7.480 1.00 52.34 H new ATOM 0 HE1 MET A 129 10.319 12.182 9.564 1.00 44.32 H new ATOM 0 HE2 MET A 129 9.871 12.058 7.846 1.00 44.32 H new ATOM 0 HE3 MET A 129 10.092 10.583 8.817 1.00 44.32 H new ATOM 2007 N LYS A 130 9.914 6.849 7.276 1.00 31.22 N ATOM 2008 CA LYS A 130 9.349 5.957 8.282 1.00 20.11 C ATOM 2009 C LYS A 130 9.912 4.546 8.105 1.00 70.24 C ATOM 2010 O LYS A 130 10.319 3.903 9.074 1.00 51.10 O ATOM 2011 CB LYS A 130 7.816 5.944 8.158 1.00 35.52 C ATOM 2012 CG LYS A 130 7.067 5.562 9.433 1.00 53.34 C ATOM 2013 CD LYS A 130 7.236 4.093 9.802 1.00 30.01 C ATOM 2014 CE LYS A 130 6.369 3.720 10.994 1.00 53.35 C ATOM 2015 NZ LYS A 130 6.561 2.306 11.410 1.00 2.33 N ATOM 0 H LYS A 130 9.224 7.269 6.654 1.00 31.22 H new ATOM 0 HA LYS A 130 9.619 6.315 9.275 1.00 20.11 H new ATOM 0 HB2 LYS A 130 7.484 6.933 7.842 1.00 35.52 H new ATOM 0 HB3 LYS A 130 7.537 5.247 7.368 1.00 35.52 H new ATOM 0 HG2 LYS A 130 7.422 6.182 10.257 1.00 53.34 H new ATOM 0 HG3 LYS A 130 6.007 5.780 9.305 1.00 53.34 H new ATOM 0 HD2 LYS A 130 6.972 3.469 8.948 1.00 30.01 H new ATOM 0 HD3 LYS A 130 8.282 3.892 10.033 1.00 30.01 H new ATOM 0 HE2 LYS A 130 6.603 4.378 11.831 1.00 53.35 H new ATOM 0 HE3 LYS A 130 5.321 3.884 10.744 1.00 53.35 H new ATOM 0 HZ1 LYS A 130 5.696 1.959 11.871 1.00 2.33 H new ATOM 0 HZ2 LYS A 130 6.765 1.723 10.574 1.00 2.33 H new ATOM 0 HZ3 LYS A 130 7.357 2.245 12.077 1.00 2.33 H new ATOM 2029 N ALA A 131 9.953 4.086 6.857 1.00 3.24 N ATOM 2030 CA ALA A 131 10.420 2.738 6.543 1.00 71.14 C ATOM 2031 C ALA A 131 11.877 2.539 6.947 1.00 25.31 C ATOM 2032 O ALA A 131 12.207 1.592 7.660 1.00 1.10 O ATOM 2033 CB ALA A 131 10.244 2.455 5.059 1.00 64.43 C ATOM 0 H ALA A 131 9.667 4.630 6.043 1.00 3.24 H new ATOM 0 HA ALA A 131 9.817 2.035 7.118 1.00 71.14 H new ATOM 0 HB1 ALA A 131 10.595 1.447 4.837 1.00 64.43 H new ATOM 0 HB2 ALA A 131 9.190 2.538 4.795 1.00 64.43 H new ATOM 0 HB3 ALA A 131 10.821 3.176 4.480 1.00 64.43 H new ATOM 2039 N LYS A 132 12.743 3.450 6.515 1.00 23.20 N ATOM 2040 CA LYS A 132 14.172 3.327 6.786 1.00 24.43 C ATOM 2041 C LYS A 132 14.478 3.482 8.275 1.00 44.53 C ATOM 2042 O LYS A 132 15.491 2.974 8.758 1.00 33.35 O ATOM 2043 CB LYS A 132 14.976 4.329 5.952 1.00 62.24 C ATOM 2044 CG LYS A 132 14.456 5.753 6.020 1.00 61.20 C ATOM 2045 CD LYS A 132 15.116 6.645 4.977 1.00 73.31 C ATOM 2046 CE LYS A 132 15.089 6.007 3.594 1.00 34.42 C ATOM 2047 NZ LYS A 132 15.340 6.996 2.515 1.00 42.43 N ATOM 0 H LYS A 132 12.483 4.278 5.979 1.00 23.20 H new ATOM 0 HA LYS A 132 14.476 2.322 6.494 1.00 24.43 H new ATOM 0 HB2 LYS A 132 16.013 4.316 6.289 1.00 62.24 H new ATOM 0 HB3 LYS A 132 14.975 4.003 4.912 1.00 62.24 H new ATOM 0 HG2 LYS A 132 13.377 5.754 5.869 1.00 61.20 H new ATOM 0 HG3 LYS A 132 14.639 6.160 7.015 1.00 61.20 H new ATOM 0 HD2 LYS A 132 14.605 7.607 4.944 1.00 73.31 H new ATOM 0 HD3 LYS A 132 16.148 6.842 5.267 1.00 73.31 H new ATOM 0 HE2 LYS A 132 15.841 5.219 3.544 1.00 34.42 H new ATOM 0 HE3 LYS A 132 14.120 5.534 3.433 1.00 34.42 H new ATOM 0 HZ1 LYS A 132 15.630 6.499 1.649 1.00 42.43 H new ATOM 0 HZ2 LYS A 132 14.470 7.536 2.329 1.00 42.43 H new ATOM 0 HZ3 LYS A 132 16.095 7.647 2.810 1.00 42.43 H new ATOM 2061 N SER A 133 13.602 4.170 9.003 1.00 34.52 N ATOM 2062 CA SER A 133 13.761 4.307 10.446 1.00 5.24 C ATOM 2063 C SER A 133 13.671 2.939 11.120 1.00 63.24 C ATOM 2064 O SER A 133 14.432 2.631 12.038 1.00 0.21 O ATOM 2065 CB SER A 133 12.703 5.252 11.020 1.00 72.15 C ATOM 2066 OG SER A 133 12.826 6.552 10.466 1.00 62.55 O ATOM 0 H SER A 133 12.781 4.638 8.620 1.00 34.52 H new ATOM 0 HA SER A 133 14.745 4.733 10.644 1.00 5.24 H new ATOM 0 HB2 SER A 133 11.708 4.858 10.813 1.00 72.15 H new ATOM 0 HB3 SER A 133 12.807 5.304 12.104 1.00 72.15 H new ATOM 0 HG SER A 133 12.344 6.591 9.614 1.00 62.55 H new ATOM 2072 N ALA A 134 12.760 2.107 10.628 1.00 4.32 N ATOM 2073 CA ALA A 134 12.571 0.768 11.165 1.00 64.32 C ATOM 2074 C ALA A 134 13.663 -0.176 10.671 1.00 21.41 C ATOM 2075 O ALA A 134 13.801 -1.296 11.162 1.00 44.23 O ATOM 2076 CB ALA A 134 11.199 0.239 10.782 1.00 44.15 C ATOM 0 H ALA A 134 12.138 2.340 9.854 1.00 4.32 H new ATOM 0 HA ALA A 134 12.637 0.822 12.252 1.00 64.32 H new ATOM 0 HB1 ALA A 134 11.069 -0.764 11.189 1.00 44.15 H new ATOM 0 HB2 ALA A 134 10.430 0.897 11.186 1.00 44.15 H new ATOM 0 HB3 ALA A 134 11.113 0.203 9.696 1.00 44.15 H new ATOM 2082 N LEU A 135 14.452 0.295 9.715 1.00 63.21 N ATOM 2083 CA LEU A 135 15.494 -0.518 9.110 1.00 51.45 C ATOM 2084 C LEU A 135 16.851 -0.203 9.717 1.00 70.25 C ATOM 2085 O LEU A 135 17.877 -0.700 9.254 1.00 61.52 O ATOM 2086 CB LEU A 135 15.531 -0.299 7.598 1.00 33.21 C ATOM 2087 CG LEU A 135 14.294 -0.779 6.842 1.00 1.11 C ATOM 2088 CD1 LEU A 135 14.398 -0.423 5.370 1.00 21.34 C ATOM 2089 CD2 LEU A 135 14.117 -2.280 7.018 1.00 10.30 C ATOM 0 H LEU A 135 14.388 1.242 9.341 1.00 63.21 H new ATOM 0 HA LEU A 135 15.264 -1.564 9.310 1.00 51.45 H new ATOM 0 HB2 LEU A 135 15.666 0.765 7.404 1.00 33.21 H new ATOM 0 HB3 LEU A 135 16.405 -0.810 7.194 1.00 33.21 H new ATOM 0 HG LEU A 135 13.419 -0.277 7.254 1.00 1.11 H new ATOM 0 HD11 LEU A 135 13.508 -0.773 4.847 1.00 21.34 H new ATOM 0 HD12 LEU A 135 14.481 0.659 5.262 1.00 21.34 H new ATOM 0 HD13 LEU A 135 15.280 -0.899 4.942 1.00 21.34 H new ATOM 0 HD21 LEU A 135 13.231 -2.608 6.474 1.00 10.30 H new ATOM 0 HD22 LEU A 135 14.994 -2.798 6.630 1.00 10.30 H new ATOM 0 HD23 LEU A 135 13.998 -2.511 8.077 1.00 10.30 H new ATOM 2101 N GLY A 136 16.858 0.637 10.745 1.00 62.13 N ATOM 2102 CA GLY A 136 18.087 0.890 11.462 1.00 64.23 C ATOM 2103 C GLY A 136 18.922 2.003 10.858 1.00 63.34 C ATOM 2104 O GLY A 136 20.144 2.007 11.000 1.00 5.13 O ATOM 0 H GLY A 136 16.042 1.142 11.090 1.00 62.13 H new ATOM 0 HA2 GLY A 136 17.850 1.144 12.495 1.00 64.23 H new ATOM 0 HA3 GLY A 136 18.679 -0.025 11.487 1.00 64.23 H new ATOM 2108 N ILE A 137 18.280 2.928 10.153 1.00 1.45 N ATOM 2109 CA ILE A 137 18.987 4.064 9.572 1.00 50.13 C ATOM 2110 C ILE A 137 19.729 4.850 10.659 1.00 43.12 C ATOM 2111 O ILE A 137 19.237 4.998 11.780 1.00 71.22 O ATOM 2112 CB ILE A 137 18.024 5.007 8.809 1.00 40.42 C ATOM 2113 CG1 ILE A 137 18.813 6.081 8.055 1.00 50.12 C ATOM 2114 CG2 ILE A 137 17.024 5.652 9.762 1.00 35.55 C ATOM 2115 CD1 ILE A 137 17.947 7.020 7.244 1.00 45.12 C ATOM 0 H ILE A 137 17.277 2.914 9.970 1.00 1.45 H new ATOM 0 HA ILE A 137 19.709 3.666 8.859 1.00 50.13 H new ATOM 0 HB ILE A 137 17.468 4.411 8.086 1.00 40.42 H new ATOM 0 HG12 ILE A 137 19.392 6.664 8.772 1.00 50.12 H new ATOM 0 HG13 ILE A 137 19.526 5.594 7.390 1.00 50.12 H new ATOM 0 HG21 ILE A 137 16.359 6.309 9.202 1.00 35.55 H new ATOM 0 HG22 ILE A 137 16.437 4.876 10.254 1.00 35.55 H new ATOM 0 HG23 ILE A 137 17.560 6.232 10.513 1.00 35.55 H new ATOM 0 HD11 ILE A 137 18.578 7.752 6.739 1.00 45.12 H new ATOM 0 HD12 ILE A 137 17.388 6.450 6.502 1.00 45.12 H new ATOM 0 HD13 ILE A 137 17.251 7.536 7.906 1.00 45.12 H new ATOM 2127 N ARG A 138 20.926 5.315 10.333 1.00 60.11 N ATOM 2128 CA ARG A 138 21.713 6.117 11.264 1.00 72.13 C ATOM 2129 C ARG A 138 21.393 7.591 11.075 1.00 63.10 C ATOM 2130 O ARG A 138 21.710 8.171 10.035 1.00 41.34 O ATOM 2131 CB ARG A 138 23.218 5.894 11.068 1.00 50.34 C ATOM 2132 CG ARG A 138 23.757 4.586 11.638 1.00 13.53 C ATOM 2133 CD ARG A 138 23.316 3.374 10.831 1.00 62.15 C ATOM 2134 NE ARG A 138 24.125 2.196 11.141 1.00 62.24 N ATOM 2135 CZ ARG A 138 23.731 0.940 10.943 1.00 14.31 C ATOM 2136 NH1 ARG A 138 22.508 0.677 10.511 1.00 13.53 N ATOM 2137 NH2 ARG A 138 24.562 -0.059 11.200 1.00 61.11 N ATOM 0 H ARG A 138 21.375 5.152 9.432 1.00 60.11 H new ATOM 0 HA ARG A 138 21.450 5.805 12.275 1.00 72.13 H new ATOM 0 HB2 ARG A 138 23.438 5.926 10.001 1.00 50.34 H new ATOM 0 HB3 ARG A 138 23.756 6.722 11.529 1.00 50.34 H new ATOM 0 HG2 ARG A 138 24.846 4.625 11.663 1.00 13.53 H new ATOM 0 HG3 ARG A 138 23.419 4.475 12.668 1.00 13.53 H new ATOM 0 HD2 ARG A 138 22.267 3.160 11.038 1.00 62.15 H new ATOM 0 HD3 ARG A 138 23.391 3.598 9.767 1.00 62.15 H new ATOM 0 HE ARG A 138 25.053 2.347 11.535 1.00 62.24 H new ATOM 0 HH11 ARG A 138 21.857 1.440 10.326 1.00 13.53 H new ATOM 0 HH12 ARG A 138 22.216 -0.289 10.363 1.00 13.53 H new ATOM 0 HH21 ARG A 138 25.501 0.135 11.549 1.00 61.11 H new ATOM 0 HH22 ARG A 138 24.263 -1.023 11.049 1.00 61.11 H new ATOM 2151 N ASP A 139 20.748 8.189 12.061 1.00 51.15 N ATOM 2152 CA ASP A 139 20.429 9.604 12.003 1.00 12.13 C ATOM 2153 C ASP A 139 20.958 10.310 13.245 1.00 55.03 C ATOM 2154 O ASP A 139 21.201 9.680 14.276 1.00 64.21 O ATOM 2155 CB ASP A 139 18.919 9.817 11.876 1.00 51.43 C ATOM 2156 CG ASP A 139 18.198 9.741 13.206 1.00 73.51 C ATOM 2157 OD1 ASP A 139 18.154 8.653 13.807 1.00 31.43 O ATOM 2158 OD2 ASP A 139 17.676 10.784 13.651 1.00 22.42 O ATOM 0 H ASP A 139 20.435 7.718 12.910 1.00 51.15 H new ATOM 0 HA ASP A 139 20.908 10.029 11.121 1.00 12.13 H new ATOM 0 HB2 ASP A 139 18.732 10.790 11.422 1.00 51.43 H new ATOM 0 HB3 ASP A 139 18.507 9.066 11.202 1.00 51.43 H new ATOM 2163 N LEU A 140 21.151 11.615 13.133 1.00 31.24 N ATOM 2164 CA LEU A 140 21.708 12.402 14.225 1.00 74.24 C ATOM 2165 C LEU A 140 20.602 12.986 15.105 1.00 60.45 C ATOM 2166 O LEU A 140 20.863 13.449 16.216 1.00 71.43 O ATOM 2167 CB LEU A 140 22.583 13.528 13.662 1.00 15.03 C ATOM 2168 CG LEU A 140 23.326 14.367 14.703 1.00 33.44 C ATOM 2169 CD1 LEU A 140 24.485 13.581 15.297 1.00 72.52 C ATOM 2170 CD2 LEU A 140 23.821 15.664 14.087 1.00 12.21 C ATOM 0 H LEU A 140 20.930 12.154 12.295 1.00 31.24 H new ATOM 0 HA LEU A 140 22.319 11.744 14.843 1.00 74.24 H new ATOM 0 HB2 LEU A 140 23.315 13.091 12.983 1.00 15.03 H new ATOM 0 HB3 LEU A 140 21.954 14.191 13.068 1.00 15.03 H new ATOM 0 HG LEU A 140 22.631 14.611 15.506 1.00 33.44 H new ATOM 0 HD11 LEU A 140 25.001 14.195 16.035 1.00 72.52 H new ATOM 0 HD12 LEU A 140 24.105 12.679 15.777 1.00 72.52 H new ATOM 0 HD13 LEU A 140 25.181 13.305 14.505 1.00 72.52 H new ATOM 0 HD21 LEU A 140 24.347 16.248 14.842 1.00 12.21 H new ATOM 0 HD22 LEU A 140 24.499 15.440 13.264 1.00 12.21 H new ATOM 0 HD23 LEU A 140 22.972 16.236 13.712 1.00 12.21 H new ATOM 2182 N GLU A 141 19.369 12.954 14.609 1.00 41.53 N ATOM 2183 CA GLU A 141 18.251 13.568 15.314 1.00 11.44 C ATOM 2184 C GLU A 141 17.805 12.695 16.479 1.00 22.13 C ATOM 2185 O GLU A 141 17.441 13.200 17.543 1.00 10.21 O ATOM 2186 CB GLU A 141 17.086 13.813 14.357 1.00 22.43 C ATOM 2187 CG GLU A 141 17.442 14.733 13.203 1.00 71.24 C ATOM 2188 CD GLU A 141 16.279 14.963 12.265 1.00 22.55 C ATOM 2189 OE1 GLU A 141 15.423 15.815 12.571 1.00 45.12 O ATOM 2190 OE2 GLU A 141 16.215 14.292 11.214 1.00 20.33 O ATOM 0 H GLU A 141 19.120 12.511 13.725 1.00 41.53 H new ATOM 0 HA GLU A 141 18.583 14.527 15.711 1.00 11.44 H new ATOM 0 HB2 GLU A 141 16.744 12.857 13.959 1.00 22.43 H new ATOM 0 HB3 GLU A 141 16.253 14.243 14.912 1.00 22.43 H new ATOM 0 HG2 GLU A 141 17.781 15.691 13.598 1.00 71.24 H new ATOM 0 HG3 GLU A 141 18.275 14.305 12.645 1.00 71.24 H new ATOM 2197 N HIS A 142 17.831 11.385 16.281 1.00 42.44 N ATOM 2198 CA HIS A 142 17.556 10.458 17.367 1.00 21.13 C ATOM 2199 C HIS A 142 18.843 10.207 18.138 1.00 51.11 C ATOM 2200 O HIS A 142 19.592 9.272 17.846 1.00 43.05 O ATOM 2201 CB HIS A 142 16.980 9.133 16.851 1.00 40.02 C ATOM 2202 CG HIS A 142 15.711 9.274 16.063 1.00 13.32 C ATOM 2203 ND1 HIS A 142 14.689 10.134 16.414 1.00 63.41 N ATOM 2204 CD2 HIS A 142 15.303 8.656 14.929 1.00 74.42 C ATOM 2205 CE1 HIS A 142 13.711 10.034 15.532 1.00 21.44 C ATOM 2206 NE2 HIS A 142 14.058 9.146 14.622 1.00 52.35 N ATOM 0 H HIS A 142 18.038 10.943 15.385 1.00 42.44 H new ATOM 0 HA HIS A 142 16.806 10.902 18.022 1.00 21.13 H new ATOM 0 HB2 HIS A 142 17.728 8.644 16.227 1.00 40.02 H new ATOM 0 HB3 HIS A 142 16.795 8.476 17.701 1.00 40.02 H new ATOM 0 HD2 HIS A 142 15.855 7.915 14.370 1.00 74.42 H new ATOM 0 HE1 HIS A 142 12.783 10.587 15.553 1.00 21.44 H new ATOM 0 HE2 HIS A 142 13.493 8.868 13.820 1.00 52.35 H new ATOM 2215 N HIS A 143 19.099 11.043 19.128 1.00 64.23 N ATOM 2216 CA HIS A 143 20.379 11.032 19.810 1.00 24.14 C ATOM 2217 C HIS A 143 20.269 10.328 21.151 1.00 71.42 C ATOM 2218 O HIS A 143 19.987 10.952 22.172 1.00 53.52 O ATOM 2219 CB HIS A 143 20.896 12.457 20.005 1.00 3.20 C ATOM 2220 CG HIS A 143 22.389 12.542 20.077 1.00 12.01 C ATOM 2221 ND1 HIS A 143 23.120 12.233 21.206 1.00 31.35 N ATOM 2222 CD2 HIS A 143 23.293 12.901 19.136 1.00 1.33 C ATOM 2223 CE1 HIS A 143 24.405 12.398 20.953 1.00 50.00 C ATOM 2224 NE2 HIS A 143 24.537 12.802 19.705 1.00 34.40 N ATOM 0 H HIS A 143 18.438 11.737 19.477 1.00 64.23 H new ATOM 0 HA HIS A 143 21.088 10.484 19.189 1.00 24.14 H new ATOM 0 HB2 HIS A 143 20.543 13.080 19.183 1.00 3.20 H new ATOM 0 HB3 HIS A 143 20.471 12.868 20.921 1.00 3.20 H new ATOM 0 HD2 HIS A 143 23.075 13.209 18.124 1.00 1.33 H new ATOM 0 HE1 HIS A 143 25.212 12.230 21.651 1.00 50.00 H new ATOM 0 HE2 HIS A 143 25.421 13.007 19.239 1.00 34.40 H new ATOM 2233 N HIS A 144 20.463 9.019 21.126 1.00 12.14 N ATOM 2234 CA HIS A 144 20.463 8.207 22.338 1.00 64.45 C ATOM 2235 C HIS A 144 21.040 6.831 22.030 1.00 5.43 C ATOM 2236 O HIS A 144 20.539 5.807 22.496 1.00 63.44 O ATOM 2237 CB HIS A 144 19.048 8.089 22.943 1.00 54.45 C ATOM 2238 CG HIS A 144 18.014 7.467 22.047 1.00 61.21 C ATOM 2239 ND1 HIS A 144 17.472 6.218 22.273 1.00 41.35 N ATOM 2240 CD2 HIS A 144 17.404 7.939 20.932 1.00 34.34 C ATOM 2241 CE1 HIS A 144 16.579 5.951 21.341 1.00 43.41 C ATOM 2242 NE2 HIS A 144 16.518 6.977 20.515 1.00 42.54 N ATOM 0 H HIS A 144 20.625 8.489 20.270 1.00 12.14 H new ATOM 0 HA HIS A 144 21.088 8.699 23.083 1.00 64.45 H new ATOM 0 HB2 HIS A 144 19.111 7.502 23.859 1.00 54.45 H new ATOM 0 HB3 HIS A 144 18.708 9.085 23.225 1.00 54.45 H new ATOM 0 HD2 HIS A 144 17.582 8.894 20.460 1.00 34.34 H new ATOM 0 HE1 HIS A 144 15.996 5.045 21.266 1.00 43.41 H new ATOM 0 HE2 HIS A 144 15.911 7.045 19.698 1.00 42.54 H new ATOM 2251 N HIS A 145 22.106 6.821 21.239 1.00 4.34 N ATOM 2252 CA HIS A 145 22.768 5.580 20.855 1.00 75.23 C ATOM 2253 C HIS A 145 23.635 5.091 22.010 1.00 41.12 C ATOM 2254 O HIS A 145 24.572 5.776 22.425 1.00 11.22 O ATOM 2255 CB HIS A 145 23.628 5.777 19.597 1.00 61.24 C ATOM 2256 CG HIS A 145 22.855 6.134 18.356 1.00 33.42 C ATOM 2257 ND1 HIS A 145 23.226 5.720 17.095 1.00 62.44 N ATOM 2258 CD2 HIS A 145 21.745 6.894 18.182 1.00 24.44 C ATOM 2259 CE1 HIS A 145 22.381 6.206 16.205 1.00 23.23 C ATOM 2260 NE2 HIS A 145 21.472 6.923 16.836 1.00 70.33 N ATOM 0 H HIS A 145 22.532 7.662 20.850 1.00 4.34 H new ATOM 0 HA HIS A 145 22.006 4.835 20.626 1.00 75.23 H new ATOM 0 HB2 HIS A 145 24.358 6.562 19.792 1.00 61.24 H new ATOM 0 HB3 HIS A 145 24.188 4.861 19.409 1.00 61.24 H new ATOM 0 HD2 HIS A 145 21.179 7.386 18.959 1.00 24.44 H new ATOM 0 HE1 HIS A 145 22.427 6.044 15.138 1.00 23.23 H new ATOM 0 HE2 HIS A 145 20.695 7.417 16.397 1.00 70.33 H new ATOM 2269 N HIS A 146 23.309 3.922 22.537 1.00 5.50 N ATOM 2270 CA HIS A 146 24.014 3.389 23.699 1.00 43.12 C ATOM 2271 C HIS A 146 25.345 2.773 23.288 1.00 44.43 C ATOM 2272 O HIS A 146 25.398 1.915 22.406 1.00 21.13 O ATOM 2273 CB HIS A 146 23.155 2.348 24.424 1.00 75.02 C ATOM 2274 CG HIS A 146 21.851 2.888 24.935 1.00 10.11 C ATOM 2275 ND1 HIS A 146 20.760 2.091 25.206 1.00 34.54 N ATOM 2276 CD2 HIS A 146 21.467 4.155 25.224 1.00 41.43 C ATOM 2277 CE1 HIS A 146 19.764 2.842 25.633 1.00 71.10 C ATOM 2278 NE2 HIS A 146 20.166 4.097 25.654 1.00 42.20 N ATOM 0 H HIS A 146 22.563 3.323 22.182 1.00 5.50 H new ATOM 0 HA HIS A 146 24.209 4.216 24.381 1.00 43.12 H new ATOM 0 HB2 HIS A 146 22.953 1.520 23.744 1.00 75.02 H new ATOM 0 HB3 HIS A 146 23.722 1.942 25.261 1.00 75.02 H new ATOM 0 HD2 HIS A 146 22.073 5.045 25.133 1.00 41.43 H new ATOM 0 HE1 HIS A 146 18.784 2.488 25.918 1.00 71.10 H new ATOM 0 HE2 HIS A 146 19.601 4.896 25.943 1.00 42.20 H new ATOM 2287 N HIS A 147 26.415 3.218 23.932 1.00 14.43 N ATOM 2288 CA HIS A 147 27.751 2.733 23.622 1.00 61.35 C ATOM 2289 C HIS A 147 28.078 1.537 24.498 1.00 0.23 C ATOM 2290 O HIS A 147 27.982 0.397 24.010 1.00 37.49 O ATOM 2291 CB HIS A 147 28.794 3.837 23.830 1.00 51.43 C ATOM 2292 CG HIS A 147 28.539 5.062 23.005 1.00 14.05 C ATOM 2293 ND1 HIS A 147 28.833 5.136 21.665 1.00 54.42 N ATOM 2294 CD2 HIS A 147 27.996 6.257 23.334 1.00 41.21 C ATOM 2295 CE1 HIS A 147 28.487 6.321 21.205 1.00 42.21 C ATOM 2296 NE2 HIS A 147 27.973 7.023 22.195 1.00 33.21 N ATOM 2297 OXT HIS A 147 28.384 1.740 25.690 1.00 37.49 O ATOM 0 H HIS A 147 26.383 3.916 24.675 1.00 14.43 H new ATOM 0 HA HIS A 147 27.777 2.432 22.575 1.00 61.35 H new ATOM 0 HB2 HIS A 147 28.812 4.115 24.884 1.00 51.43 H new ATOM 0 HB3 HIS A 147 29.781 3.444 23.587 1.00 51.43 H new ATOM 0 HD2 HIS A 147 27.646 6.553 24.312 1.00 41.21 H new ATOM 0 HE1 HIS A 147 28.605 6.661 20.187 1.00 42.21 H new ATOM 0 HE2 HIS A 147 27.617 7.977 22.126 1.00 33.21 H new TER 2306 HIS A 147