USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 769 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 84 SER OG : rot -140:sc= 1.09 USER MOD Set 1.2: A 92 SER OG : rot 20:sc= 1 USER MOD Set 2.1: A 18 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.25) USER MOD Set 2.2: A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= -0.0162 (180deg=-0.282) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= -0.122 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 76:sc= 0.429 USER MOD Single : A 15 MET CE :methyl -142:sc=-0.00773 (180deg=-2.71!) USER MOD Single : A 19 ASN : amide:sc= -0.443 X(o=-0.44,f=-0.13) USER MOD Single : A 24 LYS NZ :NH3+ -132:sc= -0.428 (180deg=-1.39) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.147 USER MOD Single : A 28 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.57) USER MOD Single : A 31 TYR OH : rot -52:sc= -1.66 USER MOD Single : A 32 GLN : amide:sc=-0.00232 K(o=-0.0023,f=-0.59) USER MOD Single : A 35 MET CE :methyl -153:sc= -0.586 (180deg=-2.31) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 45 LYS NZ :NH3+ 152:sc= 0.65 (180deg=0.0805) USER MOD Single : A 46 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.0115 F(o=-1.8!,f=-0.012) USER MOD Single : A 51 SER OG : rot -47:sc= 0.664 USER MOD Single : A 54 HIS : no HD1:sc= -0.224 X(o=-0.22,f=-0.025) USER MOD Single : A 55 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.5!) USER MOD Single : A 57 SER OG : rot -24:sc= 0.19 USER MOD Single : A 59 ASN :FLIP amide:sc= -1.28 F(o=-2.1!,f=-1.3) USER MOD Single : A 61 CYS SG : rot 57:sc= -4.81! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 159:sc= -0.103 (180deg=-0.774) USER MOD Single : A 71 LYS NZ :NH3+ 157:sc= -0.155 (180deg=-0.9) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 18:sc= 0.408 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -2.28! C(o=-2.3!,f=-2.6!) USER MOD Single : A 87 MET CE :methyl -155:sc= 0 (180deg=-0.00974) USER MOD Single : A 90 ASN : amide:sc= -0.0805 X(o=-0.08,f=-0.08) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.563 19.296 2.674 1.00 2.94 N ATOM 2 CA MET A 1 -22.328 18.553 1.403 1.00 2.23 C ATOM 3 C MET A 1 -21.154 17.591 1.586 1.00 1.94 C ATOM 4 O MET A 1 -20.196 17.887 2.272 1.00 2.16 O ATOM 5 CB MET A 1 -22.009 19.545 0.283 1.00 2.94 C ATOM 6 CG MET A 1 -23.271 20.336 -0.063 1.00 3.46 C ATOM 7 SD MET A 1 -22.901 21.513 -1.388 1.00 4.49 S ATOM 8 CE MET A 1 -24.570 22.193 -1.560 1.00 4.81 C ATOM 0 H1 MET A 1 -23.537 19.130 2.998 1.00 2.94 H new ATOM 0 H2 MET A 1 -21.896 18.963 3.399 1.00 2.94 H new ATOM 0 H3 MET A 1 -22.420 20.313 2.513 1.00 2.94 H new ATOM 0 HA MET A 1 -23.222 17.988 1.141 1.00 2.23 H new ATOM 0 HB2 MET A 1 -21.215 20.223 0.597 1.00 2.94 H new ATOM 0 HB3 MET A 1 -21.646 19.014 -0.597 1.00 2.94 H new ATOM 0 HG2 MET A 1 -24.064 19.657 -0.376 1.00 3.46 H new ATOM 0 HG3 MET A 1 -23.634 20.866 0.818 1.00 3.46 H new ATOM 0 HE1 MET A 1 -24.574 22.954 -2.340 1.00 4.81 H new ATOM 0 HE2 MET A 1 -25.262 21.395 -1.828 1.00 4.81 H new ATOM 0 HE3 MET A 1 -24.880 22.640 -0.615 1.00 4.81 H new ATOM 20 N LEU A 2 -21.221 16.436 0.979 1.00 1.58 N ATOM 21 CA LEU A 2 -20.108 15.454 1.124 1.00 1.33 C ATOM 22 C LEU A 2 -19.039 15.734 0.069 1.00 1.26 C ATOM 23 O LEU A 2 -19.335 16.045 -1.067 1.00 1.38 O ATOM 24 CB LEU A 2 -20.645 14.034 0.930 1.00 1.20 C ATOM 25 CG LEU A 2 -21.843 13.798 1.856 1.00 1.42 C ATOM 26 CD1 LEU A 2 -22.317 12.348 1.715 1.00 1.51 C ATOM 27 CD2 LEU A 2 -21.441 14.072 3.313 1.00 1.71 C ATOM 0 H LEU A 2 -21.996 16.131 0.391 1.00 1.58 H new ATOM 0 HA LEU A 2 -19.675 15.548 2.120 1.00 1.33 H new ATOM 0 HB2 LEU A 2 -20.942 13.887 -0.108 1.00 1.20 H new ATOM 0 HB3 LEU A 2 -19.861 13.307 1.143 1.00 1.20 H new ATOM 0 HG LEU A 2 -22.651 14.474 1.578 1.00 1.42 H new ATOM 0 HD11 LEU A 2 -23.169 12.178 2.373 1.00 1.51 H new ATOM 0 HD12 LEU A 2 -22.613 12.161 0.683 1.00 1.51 H new ATOM 0 HD13 LEU A 2 -21.507 11.672 1.989 1.00 1.51 H new ATOM 0 HD21 LEU A 2 -22.298 13.902 3.965 1.00 1.71 H new ATOM 0 HD22 LEU A 2 -20.629 13.403 3.599 1.00 1.71 H new ATOM 0 HD23 LEU A 2 -21.110 15.106 3.411 1.00 1.71 H new ATOM 39 N VAL A 3 -17.793 15.625 0.444 1.00 1.21 N ATOM 40 CA VAL A 3 -16.684 15.882 -0.520 1.00 1.22 C ATOM 41 C VAL A 3 -15.515 14.949 -0.202 1.00 0.99 C ATOM 42 O VAL A 3 -15.365 14.487 0.911 1.00 0.93 O ATOM 43 CB VAL A 3 -16.224 17.335 -0.387 1.00 1.52 C ATOM 44 CG1 VAL A 3 -17.359 18.272 -0.805 1.00 1.79 C ATOM 45 CG2 VAL A 3 -15.844 17.616 1.068 1.00 1.68 C ATOM 0 H VAL A 3 -17.493 15.367 1.384 1.00 1.21 H new ATOM 0 HA VAL A 3 -17.032 15.701 -1.537 1.00 1.22 H new ATOM 0 HB VAL A 3 -15.360 17.502 -1.030 1.00 1.52 H new ATOM 0 HG11 VAL A 3 -17.030 19.307 -0.710 1.00 1.79 H new ATOM 0 HG12 VAL A 3 -17.633 18.072 -1.841 1.00 1.79 H new ATOM 0 HG13 VAL A 3 -18.224 18.105 -0.162 1.00 1.79 H new ATOM 0 HG21 VAL A 3 -15.516 18.651 1.165 1.00 1.68 H new ATOM 0 HG22 VAL A 3 -16.709 17.448 1.709 1.00 1.68 H new ATOM 0 HG23 VAL A 3 -15.035 16.949 1.368 1.00 1.68 H new ATOM 55 N LYS A 4 -14.678 14.672 -1.165 1.00 0.99 N ATOM 56 CA LYS A 4 -13.519 13.775 -0.898 1.00 0.86 C ATOM 57 C LYS A 4 -12.524 14.519 0.003 1.00 0.78 C ATOM 58 O LYS A 4 -12.389 15.723 -0.099 1.00 0.97 O ATOM 59 CB LYS A 4 -12.829 13.418 -2.216 1.00 1.03 C ATOM 60 CG LYS A 4 -13.866 12.954 -3.244 1.00 1.55 C ATOM 61 CD LYS A 4 -14.736 11.843 -2.646 1.00 2.26 C ATOM 62 CE LYS A 4 -15.430 11.068 -3.770 1.00 2.96 C ATOM 63 NZ LYS A 4 -16.563 10.280 -3.204 1.00 3.69 N ATOM 0 H LYS A 4 -14.746 15.026 -2.119 1.00 0.99 H new ATOM 0 HA LYS A 4 -13.863 12.862 -0.413 1.00 0.86 H new ATOM 0 HB2 LYS A 4 -12.288 14.284 -2.599 1.00 1.03 H new ATOM 0 HB3 LYS A 4 -12.094 12.631 -2.049 1.00 1.03 H new ATOM 0 HG2 LYS A 4 -14.491 13.794 -3.546 1.00 1.55 H new ATOM 0 HG3 LYS A 4 -13.364 12.591 -4.141 1.00 1.55 H new ATOM 0 HD2 LYS A 4 -14.121 11.167 -2.051 1.00 2.26 H new ATOM 0 HD3 LYS A 4 -15.480 12.272 -1.974 1.00 2.26 H new ATOM 0 HE2 LYS A 4 -15.797 11.758 -4.530 1.00 2.96 H new ATOM 0 HE3 LYS A 4 -14.719 10.403 -4.260 1.00 2.96 H new ATOM 0 HZ1 LYS A 4 -17.035 9.753 -3.967 1.00 3.69 H new ATOM 0 HZ2 LYS A 4 -16.201 9.612 -2.494 1.00 3.69 H new ATOM 0 HZ3 LYS A 4 -17.245 10.925 -2.756 1.00 3.69 H new ATOM 77 N PRO A 5 -11.822 13.832 0.871 1.00 0.59 N ATOM 78 CA PRO A 5 -10.828 14.481 1.773 1.00 0.58 C ATOM 79 C PRO A 5 -9.504 14.761 1.039 1.00 0.56 C ATOM 80 O PRO A 5 -9.087 13.975 0.212 1.00 0.67 O ATOM 81 CB PRO A 5 -10.640 13.436 2.869 1.00 0.62 C ATOM 82 CG PRO A 5 -10.790 12.139 2.150 1.00 0.73 C ATOM 83 CD PRO A 5 -11.881 12.375 1.103 1.00 0.58 C ATOM 0 HA PRO A 5 -11.155 15.451 2.149 1.00 0.58 H new ATOM 0 HB2 PRO A 5 -9.661 13.522 3.340 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -11.384 13.545 3.658 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -9.853 11.840 1.680 1.00 0.73 H new ATOM 0 HG3 PRO A 5 -11.071 11.340 2.836 1.00 0.73 H new ATOM 0 HD2 PRO A 5 -11.688 11.814 0.188 1.00 0.58 H new ATOM 0 HD3 PRO A 5 -12.861 12.065 1.467 1.00 0.58 H new ATOM 91 N PRO A 6 -8.842 15.862 1.315 1.00 0.55 N ATOM 92 CA PRO A 6 -7.557 16.209 0.640 1.00 0.57 C ATOM 93 C PRO A 6 -6.634 15.001 0.430 1.00 0.51 C ATOM 94 O PRO A 6 -5.785 15.007 -0.440 1.00 0.70 O ATOM 95 CB PRO A 6 -6.918 17.213 1.602 1.00 0.67 C ATOM 96 CG PRO A 6 -8.074 17.917 2.237 1.00 0.84 C ATOM 97 CD PRO A 6 -9.227 16.903 2.291 1.00 0.68 C ATOM 0 HA PRO A 6 -7.725 16.596 -0.365 1.00 0.57 H new ATOM 0 HB2 PRO A 6 -6.302 16.710 2.348 1.00 0.67 H new ATOM 0 HB3 PRO A 6 -6.271 17.912 1.073 1.00 0.67 H new ATOM 0 HG2 PRO A 6 -7.815 18.263 3.238 1.00 0.84 H new ATOM 0 HG3 PRO A 6 -8.358 18.796 1.659 1.00 0.84 H new ATOM 0 HD2 PRO A 6 -9.344 16.487 3.291 1.00 0.68 H new ATOM 0 HD3 PRO A 6 -10.177 17.366 2.025 1.00 0.68 H new ATOM 105 N TYR A 7 -6.774 13.974 1.223 1.00 0.42 N ATOM 106 CA TYR A 7 -5.884 12.787 1.063 1.00 0.36 C ATOM 107 C TYR A 7 -6.065 12.185 -0.331 1.00 0.34 C ATOM 108 O TYR A 7 -7.169 11.944 -0.778 1.00 0.36 O ATOM 109 CB TYR A 7 -6.241 11.731 2.114 1.00 0.34 C ATOM 110 CG TYR A 7 -6.433 12.399 3.457 1.00 0.37 C ATOM 111 CD1 TYR A 7 -5.421 13.202 4.000 1.00 1.12 C ATOM 112 CD2 TYR A 7 -7.633 12.224 4.158 1.00 1.10 C ATOM 113 CE1 TYR A 7 -5.612 13.828 5.237 1.00 1.15 C ATOM 114 CE2 TYR A 7 -7.825 12.849 5.393 1.00 1.11 C ATOM 115 CZ TYR A 7 -6.815 13.653 5.933 1.00 0.47 C ATOM 116 OH TYR A 7 -7.004 14.272 7.153 1.00 0.54 O ATOM 0 H TYR A 7 -7.463 13.904 1.972 1.00 0.42 H new ATOM 0 HA TYR A 7 -4.848 13.101 1.192 1.00 0.36 H new ATOM 0 HB2 TYR A 7 -7.151 11.207 1.823 1.00 0.34 H new ATOM 0 HB3 TYR A 7 -5.450 10.984 2.177 1.00 0.34 H new ATOM 0 HD1 TYR A 7 -4.493 13.338 3.464 1.00 1.12 H new ATOM 0 HD2 TYR A 7 -8.413 11.603 3.742 1.00 1.10 H new ATOM 0 HE1 TYR A 7 -4.832 14.446 5.655 1.00 1.15 H new ATOM 0 HE2 TYR A 7 -8.752 12.712 5.930 1.00 1.11 H new ATOM 0 HH TYR A 7 -7.892 14.047 7.500 1.00 0.54 H new ATOM 126 N SER A 8 -4.985 11.922 -1.014 1.00 0.35 N ATOM 127 CA SER A 8 -5.090 11.316 -2.370 1.00 0.38 C ATOM 128 C SER A 8 -5.284 9.807 -2.213 1.00 0.32 C ATOM 129 O SER A 8 -5.148 9.268 -1.133 1.00 0.30 O ATOM 130 CB SER A 8 -3.809 11.590 -3.158 1.00 0.46 C ATOM 131 OG SER A 8 -3.950 11.070 -4.473 1.00 1.39 O ATOM 0 H SER A 8 -4.034 12.101 -0.691 1.00 0.35 H new ATOM 0 HA SER A 8 -5.934 11.748 -2.908 1.00 0.38 H new ATOM 0 HB2 SER A 8 -3.614 12.662 -3.197 1.00 0.46 H new ATOM 0 HB3 SER A 8 -2.956 11.128 -2.661 1.00 0.46 H new ATOM 0 HG SER A 8 -3.132 11.245 -4.983 1.00 1.39 H new ATOM 137 N TYR A 9 -5.611 9.122 -3.271 1.00 0.34 N ATOM 138 CA TYR A 9 -5.820 7.652 -3.156 1.00 0.34 C ATOM 139 C TYR A 9 -4.531 6.994 -2.662 1.00 0.35 C ATOM 140 O TYR A 9 -4.557 6.104 -1.837 1.00 0.36 O ATOM 141 CB TYR A 9 -6.205 7.087 -4.523 1.00 0.39 C ATOM 142 CG TYR A 9 -7.490 7.736 -4.971 1.00 0.39 C ATOM 143 CD1 TYR A 9 -8.720 7.159 -4.637 1.00 1.21 C ATOM 144 CD2 TYR A 9 -7.452 8.924 -5.712 1.00 1.32 C ATOM 145 CE1 TYR A 9 -9.910 7.768 -5.041 1.00 1.23 C ATOM 146 CE2 TYR A 9 -8.645 9.533 -6.119 1.00 1.32 C ATOM 147 CZ TYR A 9 -9.875 8.955 -5.783 1.00 0.44 C ATOM 148 OH TYR A 9 -11.052 9.555 -6.183 1.00 0.50 O ATOM 0 H TYR A 9 -5.742 9.512 -4.204 1.00 0.34 H new ATOM 0 HA TYR A 9 -6.621 7.447 -2.446 1.00 0.34 H new ATOM 0 HB2 TYR A 9 -5.413 7.278 -5.247 1.00 0.39 H new ATOM 0 HB3 TYR A 9 -6.329 6.006 -4.464 1.00 0.39 H new ATOM 0 HD1 TYR A 9 -8.749 6.242 -4.067 1.00 1.21 H new ATOM 0 HD2 TYR A 9 -6.503 9.370 -5.969 1.00 1.32 H new ATOM 0 HE1 TYR A 9 -10.859 7.323 -4.781 1.00 1.23 H new ATOM 0 HE2 TYR A 9 -8.616 10.448 -6.692 1.00 1.32 H new ATOM 0 HH TYR A 9 -10.849 10.370 -6.688 1.00 0.50 H new ATOM 158 N ILE A 10 -3.400 7.432 -3.143 1.00 0.38 N ATOM 159 CA ILE A 10 -2.121 6.829 -2.677 1.00 0.42 C ATOM 160 C ILE A 10 -1.984 7.058 -1.170 1.00 0.38 C ATOM 161 O ILE A 10 -1.604 6.175 -0.428 1.00 0.39 O ATOM 162 CB ILE A 10 -0.946 7.491 -3.401 1.00 0.50 C ATOM 163 CG1 ILE A 10 -1.021 7.164 -4.894 1.00 0.61 C ATOM 164 CG2 ILE A 10 0.369 6.958 -2.829 1.00 0.51 C ATOM 165 CD1 ILE A 10 -0.043 8.056 -5.661 1.00 0.96 C ATOM 0 H ILE A 10 -3.307 8.176 -3.834 1.00 0.38 H new ATOM 0 HA ILE A 10 -2.119 5.760 -2.892 1.00 0.42 H new ATOM 0 HB ILE A 10 -0.993 8.571 -3.261 1.00 0.50 H new ATOM 0 HG12 ILE A 10 -0.779 6.114 -5.060 1.00 0.61 H new ATOM 0 HG13 ILE A 10 -2.036 7.319 -5.261 1.00 0.61 H new ATOM 0 HG21 ILE A 10 1.207 7.428 -3.344 1.00 0.51 H new ATOM 0 HG22 ILE A 10 0.422 7.187 -1.765 1.00 0.51 H new ATOM 0 HG23 ILE A 10 0.416 5.878 -2.971 1.00 0.51 H new ATOM 0 HD11 ILE A 10 -0.096 7.824 -6.725 1.00 0.96 H new ATOM 0 HD12 ILE A 10 -0.306 9.102 -5.505 1.00 0.96 H new ATOM 0 HD13 ILE A 10 0.970 7.879 -5.301 1.00 0.96 H new ATOM 177 N ALA A 11 -2.294 8.242 -0.716 1.00 0.36 N ATOM 178 CA ALA A 11 -2.183 8.535 0.740 1.00 0.36 C ATOM 179 C ALA A 11 -3.225 7.725 1.514 1.00 0.32 C ATOM 180 O ALA A 11 -2.946 7.194 2.569 1.00 0.32 O ATOM 181 CB ALA A 11 -2.421 10.031 0.976 1.00 0.38 C ATOM 0 H ALA A 11 -2.619 9.019 -1.291 1.00 0.36 H new ATOM 0 HA ALA A 11 -1.187 8.262 1.088 1.00 0.36 H new ATOM 0 HB1 ALA A 11 -2.340 10.249 2.041 1.00 0.38 H new ATOM 0 HB2 ALA A 11 -1.675 10.609 0.430 1.00 0.38 H new ATOM 0 HB3 ALA A 11 -3.417 10.301 0.625 1.00 0.38 H new ATOM 187 N LEU A 12 -4.422 7.621 1.004 1.00 0.32 N ATOM 188 CA LEU A 12 -5.457 6.838 1.733 1.00 0.31 C ATOM 189 C LEU A 12 -4.975 5.395 1.887 1.00 0.30 C ATOM 190 O LEU A 12 -5.138 4.787 2.927 1.00 0.32 O ATOM 191 CB LEU A 12 -6.779 6.872 0.962 1.00 0.33 C ATOM 192 CG LEU A 12 -7.388 8.279 1.028 1.00 0.34 C ATOM 193 CD1 LEU A 12 -8.611 8.336 0.105 1.00 0.37 C ATOM 194 CD2 LEU A 12 -7.808 8.622 2.471 1.00 0.36 C ATOM 0 H LEU A 12 -4.725 8.039 0.124 1.00 0.32 H new ATOM 0 HA LEU A 12 -5.619 7.275 2.719 1.00 0.31 H new ATOM 0 HB2 LEU A 12 -6.611 6.588 -0.077 1.00 0.33 H new ATOM 0 HB3 LEU A 12 -7.474 6.146 1.383 1.00 0.33 H new ATOM 0 HG LEU A 12 -6.643 9.006 0.706 1.00 0.34 H new ATOM 0 HD11 LEU A 12 -9.051 9.332 0.145 1.00 0.37 H new ATOM 0 HD12 LEU A 12 -8.306 8.115 -0.918 1.00 0.37 H new ATOM 0 HD13 LEU A 12 -9.347 7.601 0.431 1.00 0.37 H new ATOM 0 HD21 LEU A 12 -8.237 9.624 2.497 1.00 0.36 H new ATOM 0 HD22 LEU A 12 -8.549 7.901 2.816 1.00 0.36 H new ATOM 0 HD23 LEU A 12 -6.935 8.585 3.123 1.00 0.36 H new ATOM 206 N ILE A 13 -4.361 4.845 0.875 1.00 0.31 N ATOM 207 CA ILE A 13 -3.855 3.450 0.998 1.00 0.32 C ATOM 208 C ILE A 13 -2.775 3.426 2.081 1.00 0.29 C ATOM 209 O ILE A 13 -2.737 2.551 2.921 1.00 0.30 O ATOM 210 CB ILE A 13 -3.243 2.992 -0.329 1.00 0.37 C ATOM 211 CG1 ILE A 13 -4.330 2.916 -1.404 1.00 0.42 C ATOM 212 CG2 ILE A 13 -2.619 1.607 -0.144 1.00 0.40 C ATOM 213 CD1 ILE A 13 -3.679 2.709 -2.775 1.00 0.49 C ATOM 0 H ILE A 13 -4.189 5.297 -0.023 1.00 0.31 H new ATOM 0 HA ILE A 13 -4.677 2.782 1.257 1.00 0.32 H new ATOM 0 HB ILE A 13 -2.479 3.705 -0.639 1.00 0.37 H new ATOM 0 HG12 ILE A 13 -5.014 2.096 -1.187 1.00 0.42 H new ATOM 0 HG13 ILE A 13 -4.921 3.832 -1.405 1.00 0.42 H new ATOM 0 HG21 ILE A 13 -2.182 1.276 -1.086 1.00 0.40 H new ATOM 0 HG22 ILE A 13 -1.842 1.657 0.619 1.00 0.40 H new ATOM 0 HG23 ILE A 13 -3.388 0.900 0.167 1.00 0.40 H new ATOM 0 HD11 ILE A 13 -4.453 2.655 -3.541 1.00 0.49 H new ATOM 0 HD12 ILE A 13 -3.012 3.544 -2.991 1.00 0.49 H new ATOM 0 HD13 ILE A 13 -3.108 1.781 -2.770 1.00 0.49 H new ATOM 225 N THR A 14 -1.897 4.393 2.059 1.00 0.29 N ATOM 226 CA THR A 14 -0.806 4.451 3.072 1.00 0.31 C ATOM 227 C THR A 14 -1.393 4.563 4.482 1.00 0.32 C ATOM 228 O THR A 14 -0.900 3.968 5.419 1.00 0.34 O ATOM 229 CB THR A 14 0.074 5.672 2.795 1.00 0.35 C ATOM 230 OG1 THR A 14 0.636 5.563 1.496 1.00 0.37 O ATOM 231 CG2 THR A 14 1.193 5.743 3.834 1.00 0.39 C ATOM 0 H THR A 14 -1.890 5.151 1.376 1.00 0.29 H new ATOM 0 HA THR A 14 -0.213 3.539 3.006 1.00 0.31 H new ATOM 0 HB THR A 14 -0.530 6.577 2.854 1.00 0.35 H new ATOM 0 HG1 THR A 14 -0.049 5.767 0.825 1.00 0.37 H new ATOM 0 HG21 THR A 14 1.819 6.613 3.636 1.00 0.39 H new ATOM 0 HG22 THR A 14 0.759 5.828 4.830 1.00 0.39 H new ATOM 0 HG23 THR A 14 1.800 4.839 3.778 1.00 0.39 H new ATOM 239 N MET A 15 -2.431 5.337 4.641 1.00 0.33 N ATOM 240 CA MET A 15 -3.039 5.507 5.991 1.00 0.37 C ATOM 241 C MET A 15 -3.668 4.189 6.446 1.00 0.34 C ATOM 242 O MET A 15 -3.577 3.811 7.597 1.00 0.36 O ATOM 243 CB MET A 15 -4.114 6.595 5.918 1.00 0.44 C ATOM 244 CG MET A 15 -3.442 7.955 5.715 1.00 0.49 C ATOM 245 SD MET A 15 -4.705 9.249 5.628 1.00 0.67 S ATOM 246 CE MET A 15 -3.583 10.640 5.335 1.00 1.14 C ATOM 0 H MET A 15 -2.885 5.860 3.893 1.00 0.33 H new ATOM 0 HA MET A 15 -2.270 5.796 6.707 1.00 0.37 H new ATOM 0 HB2 MET A 15 -4.801 6.389 5.097 1.00 0.44 H new ATOM 0 HB3 MET A 15 -4.705 6.601 6.834 1.00 0.44 H new ATOM 0 HG2 MET A 15 -2.754 8.158 6.536 1.00 0.49 H new ATOM 0 HG3 MET A 15 -2.851 7.947 4.799 1.00 0.49 H new ATOM 0 HE1 MET A 15 -3.940 11.516 5.877 1.00 1.14 H new ATOM 0 HE2 MET A 15 -2.583 10.380 5.682 1.00 1.14 H new ATOM 0 HE3 MET A 15 -3.550 10.862 4.268 1.00 1.14 H new ATOM 256 N ALA A 16 -4.304 3.489 5.551 1.00 0.32 N ATOM 257 CA ALA A 16 -4.943 2.196 5.924 1.00 0.31 C ATOM 258 C ALA A 16 -3.885 1.223 6.451 1.00 0.29 C ATOM 259 O ALA A 16 -4.080 0.560 7.451 1.00 0.31 O ATOM 260 CB ALA A 16 -5.612 1.602 4.684 1.00 0.31 C ATOM 0 H ALA A 16 -4.410 3.757 4.573 1.00 0.32 H new ATOM 0 HA ALA A 16 -5.685 2.366 6.704 1.00 0.31 H new ATOM 0 HB1 ALA A 16 -6.084 0.654 4.944 1.00 0.31 H new ATOM 0 HB2 ALA A 16 -6.368 2.294 4.312 1.00 0.31 H new ATOM 0 HB3 ALA A 16 -4.862 1.434 3.911 1.00 0.31 H new ATOM 266 N ILE A 17 -2.768 1.126 5.781 1.00 0.27 N ATOM 267 CA ILE A 17 -1.697 0.192 6.236 1.00 0.28 C ATOM 268 C ILE A 17 -1.214 0.624 7.618 1.00 0.30 C ATOM 269 O ILE A 17 -1.056 -0.174 8.520 1.00 0.33 O ATOM 270 CB ILE A 17 -0.520 0.263 5.263 1.00 0.29 C ATOM 271 CG1 ILE A 17 -1.011 -0.079 3.858 1.00 0.29 C ATOM 272 CG2 ILE A 17 0.547 -0.750 5.686 1.00 0.33 C ATOM 273 CD1 ILE A 17 0.081 0.235 2.830 1.00 0.32 C ATOM 0 H ILE A 17 -2.550 1.655 4.936 1.00 0.27 H new ATOM 0 HA ILE A 17 -2.089 -0.824 6.274 1.00 0.28 H new ATOM 0 HB ILE A 17 -0.095 1.267 5.271 1.00 0.29 H new ATOM 0 HG12 ILE A 17 -1.280 -1.134 3.805 1.00 0.29 H new ATOM 0 HG13 ILE A 17 -1.912 0.491 3.630 1.00 0.29 H new ATOM 0 HG21 ILE A 17 1.388 -0.703 4.994 1.00 0.33 H new ATOM 0 HG22 ILE A 17 0.892 -0.516 6.693 1.00 0.33 H new ATOM 0 HG23 ILE A 17 0.122 -1.754 5.672 1.00 0.33 H new ATOM 0 HD11 ILE A 17 -0.278 -0.012 1.831 1.00 0.32 H new ATOM 0 HD12 ILE A 17 0.329 1.296 2.875 1.00 0.32 H new ATOM 0 HD13 ILE A 17 0.970 -0.355 3.052 1.00 0.32 H new ATOM 285 N GLN A 18 -0.972 1.893 7.777 1.00 0.32 N ATOM 286 CA GLN A 18 -0.485 2.412 9.087 1.00 0.36 C ATOM 287 C GLN A 18 -1.515 2.099 10.174 1.00 0.36 C ATOM 288 O GLN A 18 -1.173 1.743 11.285 1.00 0.38 O ATOM 289 CB GLN A 18 -0.289 3.925 8.985 1.00 0.44 C ATOM 290 CG GLN A 18 0.909 4.224 8.082 1.00 0.51 C ATOM 291 CD GLN A 18 2.202 3.808 8.787 1.00 1.09 C ATOM 292 OE1 GLN A 18 3.000 3.076 8.235 1.00 1.76 O ATOM 293 NE2 GLN A 18 2.445 4.248 9.991 1.00 1.82 N ATOM 0 H GLN A 18 -1.091 2.600 7.051 1.00 0.32 H new ATOM 0 HA GLN A 18 0.462 1.937 9.342 1.00 0.36 H new ATOM 0 HB2 GLN A 18 -1.187 4.393 8.582 1.00 0.44 H new ATOM 0 HB3 GLN A 18 -0.126 4.349 9.976 1.00 0.44 H new ATOM 0 HG2 GLN A 18 0.809 3.687 7.139 1.00 0.51 H new ATOM 0 HG3 GLN A 18 0.940 5.287 7.842 1.00 0.51 H new ATOM 0 HE21 GLN A 18 1.775 4.862 10.454 1.00 1.82 H new ATOM 0 HE22 GLN A 18 3.305 3.978 10.469 1.00 1.82 H new ATOM 302 N ASN A 19 -2.775 2.235 9.866 1.00 0.37 N ATOM 303 CA ASN A 19 -3.832 1.951 10.879 1.00 0.42 C ATOM 304 C ASN A 19 -4.117 0.447 10.911 1.00 0.43 C ATOM 305 O ASN A 19 -4.907 -0.028 11.703 1.00 0.58 O ATOM 306 CB ASN A 19 -5.107 2.709 10.503 1.00 0.51 C ATOM 307 CG ASN A 19 -4.856 4.213 10.618 1.00 0.84 C ATOM 308 OD1 ASN A 19 -4.500 4.703 11.671 1.00 1.67 O ATOM 309 ND2 ASN A 19 -5.017 4.971 9.567 1.00 1.28 N ATOM 0 H ASN A 19 -3.120 2.532 8.953 1.00 0.37 H new ATOM 0 HA ASN A 19 -3.494 2.274 11.864 1.00 0.42 H new ATOM 0 HB2 ASN A 19 -5.407 2.456 9.486 1.00 0.51 H new ATOM 0 HB3 ASN A 19 -5.926 2.414 11.160 1.00 0.51 H new ATOM 0 HD21 ASN A 19 -4.844 5.974 9.630 1.00 1.28 H new ATOM 0 HD22 ASN A 19 -5.316 4.560 8.683 1.00 1.28 H new ATOM 316 N ALA A 20 -3.481 -0.308 10.057 1.00 0.39 N ATOM 317 CA ALA A 20 -3.718 -1.780 10.038 1.00 0.47 C ATOM 318 C ALA A 20 -2.911 -2.444 11.165 1.00 0.53 C ATOM 319 O ALA A 20 -1.708 -2.282 11.225 1.00 0.63 O ATOM 320 CB ALA A 20 -3.241 -2.345 8.696 1.00 0.49 C ATOM 0 H ALA A 20 -2.807 0.031 9.371 1.00 0.39 H new ATOM 0 HA ALA A 20 -4.781 -1.979 10.177 1.00 0.47 H new ATOM 0 HB1 ALA A 20 -3.411 -3.421 8.674 1.00 0.49 H new ATOM 0 HB2 ALA A 20 -3.796 -1.873 7.885 1.00 0.49 H new ATOM 0 HB3 ALA A 20 -2.177 -2.143 8.574 1.00 0.49 H new ATOM 326 N PRO A 21 -3.528 -3.200 12.048 1.00 0.71 N ATOM 327 CA PRO A 21 -2.782 -3.880 13.144 1.00 0.87 C ATOM 328 C PRO A 21 -1.481 -4.493 12.621 1.00 0.80 C ATOM 329 O PRO A 21 -0.401 -4.178 13.078 1.00 1.04 O ATOM 330 CB PRO A 21 -3.754 -4.964 13.619 1.00 1.10 C ATOM 331 CG PRO A 21 -5.111 -4.395 13.356 1.00 1.29 C ATOM 332 CD PRO A 21 -4.973 -3.496 12.119 1.00 0.94 C ATOM 0 HA PRO A 21 -2.485 -3.201 13.943 1.00 0.87 H new ATOM 0 HB2 PRO A 21 -3.603 -5.897 13.076 1.00 1.10 H new ATOM 0 HB3 PRO A 21 -3.615 -5.185 14.677 1.00 1.10 H new ATOM 0 HG2 PRO A 21 -5.837 -5.189 13.180 1.00 1.29 H new ATOM 0 HG3 PRO A 21 -5.465 -3.823 14.214 1.00 1.29 H new ATOM 0 HD2 PRO A 21 -5.321 -4.001 11.218 1.00 0.94 H new ATOM 0 HD3 PRO A 21 -5.562 -2.585 12.221 1.00 0.94 H new ATOM 340 N GLU A 22 -1.582 -5.352 11.641 1.00 0.72 N ATOM 341 CA GLU A 22 -0.364 -5.977 11.051 1.00 0.83 C ATOM 342 C GLU A 22 0.001 -5.193 9.789 1.00 0.80 C ATOM 343 O GLU A 22 -0.861 -4.766 9.047 1.00 1.16 O ATOM 344 CB GLU A 22 -0.649 -7.433 10.679 1.00 0.98 C ATOM 345 CG GLU A 22 0.670 -8.137 10.353 1.00 1.51 C ATOM 346 CD GLU A 22 0.398 -9.595 9.980 1.00 2.01 C ATOM 347 OE1 GLU A 22 -0.748 -10.005 10.067 1.00 2.51 O ATOM 348 OE2 GLU A 22 1.339 -10.277 9.609 1.00 2.63 O ATOM 0 H GLU A 22 -2.463 -5.649 11.222 1.00 0.72 H new ATOM 0 HA GLU A 22 0.454 -5.955 11.771 1.00 0.83 H new ATOM 0 HB2 GLU A 22 -1.151 -7.940 11.503 1.00 0.98 H new ATOM 0 HB3 GLU A 22 -1.320 -7.477 9.821 1.00 0.98 H new ATOM 0 HG2 GLU A 22 1.171 -7.628 9.529 1.00 1.51 H new ATOM 0 HG3 GLU A 22 1.340 -8.090 11.211 1.00 1.51 H new ATOM 355 N LYS A 23 1.261 -4.978 9.548 1.00 0.66 N ATOM 356 CA LYS A 23 1.663 -4.198 8.341 1.00 0.68 C ATOM 357 C LYS A 23 1.164 -4.896 7.074 1.00 0.56 C ATOM 358 O LYS A 23 0.787 -4.249 6.118 1.00 0.59 O ATOM 359 CB LYS A 23 3.188 -4.071 8.292 1.00 0.84 C ATOM 360 CG LYS A 23 3.694 -3.223 9.466 1.00 0.96 C ATOM 361 CD LYS A 23 3.317 -1.746 9.277 1.00 0.79 C ATOM 362 CE LYS A 23 4.203 -0.872 10.169 1.00 1.23 C ATOM 363 NZ LYS A 23 3.785 0.553 10.041 1.00 2.02 N ATOM 0 H LYS A 23 2.031 -5.306 10.131 1.00 0.66 H new ATOM 0 HA LYS A 23 1.219 -3.204 8.398 1.00 0.68 H new ATOM 0 HB2 LYS A 23 3.643 -5.061 8.328 1.00 0.84 H new ATOM 0 HB3 LYS A 23 3.491 -3.615 7.349 1.00 0.84 H new ATOM 0 HG2 LYS A 23 3.269 -3.595 10.398 1.00 0.96 H new ATOM 0 HG3 LYS A 23 4.777 -3.319 9.549 1.00 0.96 H new ATOM 0 HD2 LYS A 23 3.440 -1.460 8.233 1.00 0.79 H new ATOM 0 HD3 LYS A 23 2.267 -1.593 9.528 1.00 0.79 H new ATOM 0 HE2 LYS A 23 4.122 -1.194 11.207 1.00 1.23 H new ATOM 0 HE3 LYS A 23 5.249 -0.983 9.881 1.00 1.23 H new ATOM 0 HZ1 LYS A 23 4.387 1.147 10.647 1.00 2.02 H new ATOM 0 HZ2 LYS A 23 3.884 0.856 9.051 1.00 2.02 H new ATOM 0 HZ3 LYS A 23 2.793 0.651 10.336 1.00 2.02 H new ATOM 377 N LYS A 24 1.149 -6.200 7.041 1.00 0.49 N ATOM 378 CA LYS A 24 0.661 -6.884 5.811 1.00 0.43 C ATOM 379 C LYS A 24 -0.864 -6.815 5.790 1.00 0.44 C ATOM 380 O LYS A 24 -1.521 -7.136 6.761 1.00 0.75 O ATOM 381 CB LYS A 24 1.075 -8.357 5.810 1.00 0.41 C ATOM 382 CG LYS A 24 2.594 -8.495 5.738 1.00 0.45 C ATOM 383 CD LYS A 24 2.943 -9.982 5.741 1.00 0.50 C ATOM 384 CE LYS A 24 4.462 -10.161 5.668 1.00 0.59 C ATOM 385 NZ LYS A 24 4.977 -9.572 4.400 1.00 1.55 N ATOM 0 H LYS A 24 1.448 -6.813 7.799 1.00 0.49 H new ATOM 0 HA LYS A 24 1.092 -6.391 4.939 1.00 0.43 H new ATOM 0 HB2 LYS A 24 0.704 -8.844 6.712 1.00 0.41 H new ATOM 0 HB3 LYS A 24 0.619 -8.867 4.961 1.00 0.41 H new ATOM 0 HG2 LYS A 24 2.976 -8.018 4.836 1.00 0.45 H new ATOM 0 HG3 LYS A 24 3.061 -7.994 6.586 1.00 0.45 H new ATOM 0 HD2 LYS A 24 2.556 -10.454 6.644 1.00 0.50 H new ATOM 0 HD3 LYS A 24 2.469 -10.478 4.894 1.00 0.50 H new ATOM 0 HE2 LYS A 24 4.936 -9.679 6.523 1.00 0.59 H new ATOM 0 HE3 LYS A 24 4.716 -11.220 5.718 1.00 0.59 H new ATOM 0 HZ1 LYS A 24 5.615 -10.250 3.937 1.00 1.55 H new ATOM 0 HZ2 LYS A 24 4.180 -9.359 3.767 1.00 1.55 H new ATOM 0 HZ3 LYS A 24 5.496 -8.696 4.610 1.00 1.55 H new ATOM 399 N ILE A 25 -1.432 -6.391 4.694 1.00 0.35 N ATOM 400 CA ILE A 25 -2.918 -6.291 4.600 1.00 0.34 C ATOM 401 C ILE A 25 -3.379 -6.755 3.219 1.00 0.31 C ATOM 402 O ILE A 25 -2.691 -6.585 2.230 1.00 0.33 O ATOM 403 CB ILE A 25 -3.343 -4.836 4.826 1.00 0.38 C ATOM 404 CG1 ILE A 25 -4.868 -4.759 4.935 1.00 0.39 C ATOM 405 CG2 ILE A 25 -2.868 -3.972 3.655 1.00 0.38 C ATOM 406 CD1 ILE A 25 -5.278 -3.372 5.431 1.00 0.47 C ATOM 0 H ILE A 25 -0.928 -6.108 3.854 1.00 0.35 H new ATOM 0 HA ILE A 25 -3.375 -6.925 5.360 1.00 0.34 H new ATOM 0 HB ILE A 25 -2.895 -4.469 5.749 1.00 0.38 H new ATOM 0 HG12 ILE A 25 -5.322 -4.958 3.964 1.00 0.39 H new ATOM 0 HG13 ILE A 25 -5.233 -5.524 5.621 1.00 0.39 H new ATOM 0 HG21 ILE A 25 -3.172 -2.938 3.819 1.00 0.38 H new ATOM 0 HG22 ILE A 25 -1.782 -4.024 3.582 1.00 0.38 H new ATOM 0 HG23 ILE A 25 -3.312 -4.338 2.729 1.00 0.38 H new ATOM 0 HD11 ILE A 25 -6.364 -3.319 5.508 1.00 0.47 H new ATOM 0 HD12 ILE A 25 -4.836 -3.190 6.411 1.00 0.47 H new ATOM 0 HD13 ILE A 25 -4.927 -2.616 4.729 1.00 0.47 H new ATOM 418 N THR A 26 -4.541 -7.339 3.147 1.00 0.30 N ATOM 419 CA THR A 26 -5.062 -7.819 1.839 1.00 0.31 C ATOM 420 C THR A 26 -5.711 -6.651 1.094 1.00 0.28 C ATOM 421 O THR A 26 -6.230 -5.732 1.695 1.00 0.27 O ATOM 422 CB THR A 26 -6.100 -8.915 2.097 1.00 0.37 C ATOM 423 OG1 THR A 26 -7.132 -8.394 2.923 1.00 0.76 O ATOM 424 CG2 THR A 26 -5.440 -10.112 2.799 1.00 0.81 C ATOM 0 H THR A 26 -5.156 -7.505 3.944 1.00 0.30 H new ATOM 0 HA THR A 26 -4.249 -8.219 1.233 1.00 0.31 H new ATOM 0 HB THR A 26 -6.517 -9.247 1.146 1.00 0.37 H new ATOM 0 HG1 THR A 26 -7.800 -9.091 3.090 1.00 0.76 H new ATOM 0 HG21 THR A 26 -6.187 -10.886 2.978 1.00 0.81 H new ATOM 0 HG22 THR A 26 -4.647 -10.512 2.167 1.00 0.81 H new ATOM 0 HG23 THR A 26 -5.018 -9.788 3.750 1.00 0.81 H new ATOM 432 N LEU A 27 -5.687 -6.677 -0.210 1.00 0.31 N ATOM 433 CA LEU A 27 -6.302 -5.565 -0.988 1.00 0.34 C ATOM 434 C LEU A 27 -7.789 -5.483 -0.632 1.00 0.30 C ATOM 435 O LEU A 27 -8.342 -4.416 -0.449 1.00 0.31 O ATOM 436 CB LEU A 27 -6.112 -5.846 -2.484 1.00 0.44 C ATOM 437 CG LEU A 27 -6.727 -4.730 -3.342 1.00 0.47 C ATOM 438 CD1 LEU A 27 -6.110 -3.373 -2.971 1.00 0.70 C ATOM 439 CD2 LEU A 27 -6.453 -5.031 -4.823 1.00 0.68 C ATOM 0 H LEU A 27 -5.268 -7.420 -0.770 1.00 0.31 H new ATOM 0 HA LEU A 27 -5.830 -4.612 -0.748 1.00 0.34 H new ATOM 0 HB2 LEU A 27 -5.049 -5.936 -2.708 1.00 0.44 H new ATOM 0 HB3 LEU A 27 -6.573 -6.800 -2.739 1.00 0.44 H new ATOM 0 HG LEU A 27 -7.801 -4.687 -3.162 1.00 0.47 H new ATOM 0 HD11 LEU A 27 -6.554 -2.591 -3.586 1.00 0.70 H new ATOM 0 HD12 LEU A 27 -6.303 -3.161 -1.919 1.00 0.70 H new ATOM 0 HD13 LEU A 27 -5.034 -3.403 -3.144 1.00 0.70 H new ATOM 0 HD21 LEU A 27 -6.886 -4.244 -5.440 1.00 0.68 H new ATOM 0 HD22 LEU A 27 -5.377 -5.075 -4.992 1.00 0.68 H new ATOM 0 HD23 LEU A 27 -6.901 -5.988 -5.089 1.00 0.68 H new ATOM 451 N ASN A 28 -8.431 -6.612 -0.520 1.00 0.30 N ATOM 452 CA ASN A 28 -9.878 -6.631 -0.164 1.00 0.31 C ATOM 453 C ASN A 28 -10.093 -5.974 1.208 1.00 0.29 C ATOM 454 O ASN A 28 -11.031 -5.227 1.416 1.00 0.32 O ATOM 455 CB ASN A 28 -10.352 -8.083 -0.108 1.00 0.36 C ATOM 456 CG ASN A 28 -10.247 -8.705 -1.502 1.00 0.43 C ATOM 457 OD1 ASN A 28 -9.662 -9.757 -1.669 1.00 1.07 O ATOM 458 ND2 ASN A 28 -10.789 -8.092 -2.519 1.00 1.25 N ATOM 0 H ASN A 28 -8.012 -7.531 -0.661 1.00 0.30 H new ATOM 0 HA ASN A 28 -10.443 -6.078 -0.914 1.00 0.31 H new ATOM 0 HB2 ASN A 28 -9.747 -8.648 0.601 1.00 0.36 H new ATOM 0 HB3 ASN A 28 -11.382 -8.128 0.246 1.00 0.36 H new ATOM 0 HD21 ASN A 28 -10.721 -8.496 -3.453 1.00 1.25 H new ATOM 0 HD22 ASN A 28 -11.280 -7.209 -2.380 1.00 1.25 H new ATOM 465 N GLY A 29 -9.231 -6.259 2.145 1.00 0.28 N ATOM 466 CA GLY A 29 -9.375 -5.673 3.511 1.00 0.29 C ATOM 467 C GLY A 29 -9.295 -4.145 3.450 1.00 0.28 C ATOM 468 O GLY A 29 -10.006 -3.449 4.149 1.00 0.29 O ATOM 0 H GLY A 29 -8.428 -6.876 2.024 1.00 0.28 H new ATOM 0 HA2 GLY A 29 -10.328 -5.976 3.945 1.00 0.29 H new ATOM 0 HA3 GLY A 29 -8.591 -6.058 4.163 1.00 0.29 H new ATOM 472 N ILE A 30 -8.426 -3.617 2.634 1.00 0.26 N ATOM 473 CA ILE A 30 -8.284 -2.135 2.545 1.00 0.27 C ATOM 474 C ILE A 30 -9.608 -1.500 2.111 1.00 0.27 C ATOM 475 O ILE A 30 -9.983 -0.452 2.598 1.00 0.29 O ATOM 476 CB ILE A 30 -7.175 -1.776 1.547 1.00 0.29 C ATOM 477 CG1 ILE A 30 -5.822 -2.176 2.146 1.00 0.32 C ATOM 478 CG2 ILE A 30 -7.189 -0.267 1.280 1.00 0.34 C ATOM 479 CD1 ILE A 30 -4.723 -2.056 1.086 1.00 0.35 C ATOM 0 H ILE A 30 -7.806 -4.148 2.023 1.00 0.26 H new ATOM 0 HA ILE A 30 -8.017 -1.747 3.528 1.00 0.27 H new ATOM 0 HB ILE A 30 -7.338 -2.306 0.609 1.00 0.29 H new ATOM 0 HG12 ILE A 30 -5.589 -1.537 2.997 1.00 0.32 H new ATOM 0 HG13 ILE A 30 -5.869 -3.199 2.519 1.00 0.32 H new ATOM 0 HG21 ILE A 30 -6.400 -0.016 0.571 1.00 0.34 H new ATOM 0 HG22 ILE A 30 -8.155 0.020 0.865 1.00 0.34 H new ATOM 0 HG23 ILE A 30 -7.022 0.269 2.214 1.00 0.34 H new ATOM 0 HD11 ILE A 30 -3.765 -2.342 1.521 1.00 0.35 H new ATOM 0 HD12 ILE A 30 -4.952 -2.714 0.248 1.00 0.35 H new ATOM 0 HD13 ILE A 30 -4.668 -1.026 0.734 1.00 0.35 H new ATOM 491 N TYR A 31 -10.317 -2.098 1.192 1.00 0.28 N ATOM 492 CA TYR A 31 -11.596 -1.470 0.750 1.00 0.30 C ATOM 493 C TYR A 31 -12.541 -1.341 1.942 1.00 0.30 C ATOM 494 O TYR A 31 -13.205 -0.337 2.113 1.00 0.32 O ATOM 495 CB TYR A 31 -12.272 -2.345 -0.315 1.00 0.36 C ATOM 496 CG TYR A 31 -11.636 -2.121 -1.670 1.00 0.38 C ATOM 497 CD1 TYR A 31 -11.626 -0.843 -2.247 1.00 1.20 C ATOM 498 CD2 TYR A 31 -11.056 -3.195 -2.357 1.00 1.36 C ATOM 499 CE1 TYR A 31 -11.036 -0.646 -3.499 1.00 1.23 C ATOM 500 CE2 TYR A 31 -10.469 -2.997 -3.609 1.00 1.40 C ATOM 501 CZ TYR A 31 -10.457 -1.722 -4.178 1.00 0.58 C ATOM 502 OH TYR A 31 -9.880 -1.525 -5.411 1.00 0.72 O ATOM 0 H TYR A 31 -10.073 -2.977 0.735 1.00 0.28 H new ATOM 0 HA TYR A 31 -11.377 -0.487 0.334 1.00 0.30 H new ATOM 0 HB2 TYR A 31 -12.188 -3.396 -0.037 1.00 0.36 H new ATOM 0 HB3 TYR A 31 -13.336 -2.112 -0.363 1.00 0.36 H new ATOM 0 HD1 TYR A 31 -12.074 -0.011 -1.724 1.00 1.20 H new ATOM 0 HD2 TYR A 31 -11.063 -4.181 -1.917 1.00 1.36 H new ATOM 0 HE1 TYR A 31 -11.028 0.339 -3.942 1.00 1.23 H new ATOM 0 HE2 TYR A 31 -10.025 -3.829 -4.136 1.00 1.40 H new ATOM 0 HH TYR A 31 -10.515 -1.067 -6.000 1.00 0.72 H new ATOM 512 N GLN A 32 -12.614 -2.343 2.766 1.00 0.31 N ATOM 513 CA GLN A 32 -13.524 -2.264 3.938 1.00 0.35 C ATOM 514 C GLN A 32 -13.100 -1.105 4.847 1.00 0.33 C ATOM 515 O GLN A 32 -13.921 -0.388 5.385 1.00 0.34 O ATOM 516 CB GLN A 32 -13.437 -3.573 4.718 1.00 0.41 C ATOM 517 CG GLN A 32 -14.085 -4.701 3.913 1.00 1.25 C ATOM 518 CD GLN A 32 -13.931 -6.018 4.675 1.00 1.79 C ATOM 519 OE1 GLN A 32 -12.886 -6.293 5.231 1.00 2.35 O ATOM 520 NE2 GLN A 32 -14.937 -6.847 4.733 1.00 2.51 N ATOM 0 H GLN A 32 -12.085 -3.211 2.680 1.00 0.31 H new ATOM 0 HA GLN A 32 -14.546 -2.097 3.597 1.00 0.35 H new ATOM 0 HB2 GLN A 32 -12.395 -3.815 4.925 1.00 0.41 H new ATOM 0 HB3 GLN A 32 -13.937 -3.467 5.681 1.00 0.41 H new ATOM 0 HG2 GLN A 32 -15.140 -4.485 3.747 1.00 1.25 H new ATOM 0 HG3 GLN A 32 -13.617 -4.778 2.932 1.00 1.25 H new ATOM 0 HE21 GLN A 32 -15.815 -6.617 4.267 1.00 2.51 H new ATOM 0 HE22 GLN A 32 -14.846 -7.725 5.245 1.00 2.51 H new ATOM 529 N PHE A 33 -11.820 -0.934 5.033 1.00 0.33 N ATOM 530 CA PHE A 33 -11.318 0.155 5.918 1.00 0.35 C ATOM 531 C PHE A 33 -11.738 1.537 5.398 1.00 0.32 C ATOM 532 O PHE A 33 -12.243 2.357 6.139 1.00 0.34 O ATOM 533 CB PHE A 33 -9.791 0.072 5.975 1.00 0.40 C ATOM 534 CG PHE A 33 -9.257 1.116 6.925 1.00 0.46 C ATOM 535 CD1 PHE A 33 -9.089 0.804 8.279 1.00 1.34 C ATOM 536 CD2 PHE A 33 -8.921 2.390 6.452 1.00 1.23 C ATOM 537 CE1 PHE A 33 -8.586 1.767 9.162 1.00 1.37 C ATOM 538 CE2 PHE A 33 -8.419 3.353 7.335 1.00 1.27 C ATOM 539 CZ PHE A 33 -8.252 3.041 8.690 1.00 0.63 C ATOM 0 H PHE A 33 -11.093 -1.508 4.605 1.00 0.33 H new ATOM 0 HA PHE A 33 -11.748 0.027 6.911 1.00 0.35 H new ATOM 0 HB2 PHE A 33 -9.484 -0.921 6.302 1.00 0.40 H new ATOM 0 HB3 PHE A 33 -9.372 0.224 4.980 1.00 0.40 H new ATOM 0 HD1 PHE A 33 -9.347 -0.180 8.643 1.00 1.34 H new ATOM 0 HD2 PHE A 33 -9.049 2.630 5.407 1.00 1.23 H new ATOM 0 HE1 PHE A 33 -8.456 1.527 10.207 1.00 1.37 H new ATOM 0 HE2 PHE A 33 -8.160 4.337 6.971 1.00 1.27 H new ATOM 0 HZ PHE A 33 -7.865 3.784 9.371 1.00 0.63 H new ATOM 549 N ILE A 34 -11.513 1.813 4.140 1.00 0.28 N ATOM 550 CA ILE A 34 -11.875 3.154 3.589 1.00 0.27 C ATOM 551 C ILE A 34 -13.376 3.413 3.736 1.00 0.26 C ATOM 552 O ILE A 34 -13.791 4.489 4.119 1.00 0.27 O ATOM 553 CB ILE A 34 -11.485 3.221 2.108 1.00 0.27 C ATOM 554 CG1 ILE A 34 -9.959 3.251 2.000 1.00 0.32 C ATOM 555 CG2 ILE A 34 -12.068 4.490 1.469 1.00 0.29 C ATOM 556 CD1 ILE A 34 -9.538 3.066 0.541 1.00 0.59 C ATOM 0 H ILE A 34 -11.094 1.168 3.470 1.00 0.28 H new ATOM 0 HA ILE A 34 -11.335 3.918 4.148 1.00 0.27 H new ATOM 0 HB ILE A 34 -11.880 2.349 1.587 1.00 0.27 H new ATOM 0 HG12 ILE A 34 -9.577 4.198 2.381 1.00 0.32 H new ATOM 0 HG13 ILE A 34 -9.526 2.462 2.616 1.00 0.32 H new ATOM 0 HG21 ILE A 34 -11.786 4.530 0.417 1.00 0.29 H new ATOM 0 HG22 ILE A 34 -13.155 4.474 1.553 1.00 0.29 H new ATOM 0 HG23 ILE A 34 -11.677 5.368 1.983 1.00 0.29 H new ATOM 0 HD11 ILE A 34 -8.451 3.088 0.470 1.00 0.59 H new ATOM 0 HD12 ILE A 34 -9.906 2.107 0.175 1.00 0.59 H new ATOM 0 HD13 ILE A 34 -9.957 3.870 -0.063 1.00 0.59 H new ATOM 568 N MET A 35 -14.197 2.453 3.421 1.00 0.27 N ATOM 569 CA MET A 35 -15.664 2.680 3.533 1.00 0.29 C ATOM 570 C MET A 35 -16.017 3.020 4.983 1.00 0.29 C ATOM 571 O MET A 35 -16.809 3.903 5.249 1.00 0.31 O ATOM 572 CB MET A 35 -16.405 1.412 3.104 1.00 0.37 C ATOM 573 CG MET A 35 -16.246 1.218 1.593 1.00 0.44 C ATOM 574 SD MET A 35 -17.120 -0.285 1.076 1.00 0.69 S ATOM 575 CE MET A 35 -15.700 -1.212 0.438 1.00 0.47 C ATOM 0 H MET A 35 -13.920 1.528 3.093 1.00 0.27 H new ATOM 0 HA MET A 35 -15.959 3.508 2.888 1.00 0.29 H new ATOM 0 HB2 MET A 35 -16.008 0.548 3.637 1.00 0.37 H new ATOM 0 HB3 MET A 35 -17.461 1.489 3.363 1.00 0.37 H new ATOM 0 HG2 MET A 35 -16.643 2.083 1.062 1.00 0.44 H new ATOM 0 HG3 MET A 35 -15.190 1.143 1.335 1.00 0.44 H new ATOM 0 HE1 MET A 35 -16.036 -1.910 -0.329 1.00 0.47 H new ATOM 0 HE2 MET A 35 -14.977 -0.519 0.006 1.00 0.47 H new ATOM 0 HE3 MET A 35 -15.231 -1.765 1.252 1.00 0.47 H new ATOM 585 N ASP A 36 -15.430 2.334 5.922 1.00 0.31 N ATOM 586 CA ASP A 36 -15.724 2.621 7.355 1.00 0.37 C ATOM 587 C ASP A 36 -15.134 3.977 7.761 1.00 0.38 C ATOM 588 O ASP A 36 -15.731 4.722 8.511 1.00 0.45 O ATOM 589 CB ASP A 36 -15.108 1.523 8.224 1.00 0.43 C ATOM 590 CG ASP A 36 -15.878 0.217 8.019 1.00 0.51 C ATOM 591 OD1 ASP A 36 -17.006 0.282 7.560 1.00 1.12 O ATOM 592 OD2 ASP A 36 -15.325 -0.826 8.325 1.00 1.17 O ATOM 0 H ASP A 36 -14.757 1.585 5.760 1.00 0.31 H new ATOM 0 HA ASP A 36 -16.804 2.650 7.496 1.00 0.37 H new ATOM 0 HB2 ASP A 36 -14.059 1.384 7.963 1.00 0.43 H new ATOM 0 HB3 ASP A 36 -15.139 1.815 9.274 1.00 0.43 H new ATOM 597 N ARG A 37 -13.953 4.288 7.297 1.00 0.39 N ATOM 598 CA ARG A 37 -13.314 5.581 7.686 1.00 0.46 C ATOM 599 C ARG A 37 -14.077 6.764 7.082 1.00 0.45 C ATOM 600 O ARG A 37 -14.564 7.621 7.792 1.00 0.59 O ATOM 601 CB ARG A 37 -11.871 5.599 7.174 1.00 0.53 C ATOM 602 CG ARG A 37 -11.112 6.798 7.766 1.00 1.16 C ATOM 603 CD ARG A 37 -10.729 6.541 9.233 1.00 1.28 C ATOM 604 NE ARG A 37 -11.843 6.972 10.124 1.00 1.77 N ATOM 605 CZ ARG A 37 -11.862 6.590 11.372 1.00 2.16 C ATOM 606 NH1 ARG A 37 -10.908 5.830 11.835 1.00 2.31 N ATOM 607 NH2 ARG A 37 -12.834 6.968 12.157 1.00 3.00 N ATOM 0 H ARG A 37 -13.403 3.704 6.666 1.00 0.39 H new ATOM 0 HA ARG A 37 -13.332 5.671 8.772 1.00 0.46 H new ATOM 0 HB2 ARG A 37 -11.369 4.671 7.447 1.00 0.53 H new ATOM 0 HB3 ARG A 37 -11.864 5.657 6.086 1.00 0.53 H new ATOM 0 HG2 ARG A 37 -10.213 6.988 7.180 1.00 1.16 H new ATOM 0 HG3 ARG A 37 -11.731 7.693 7.700 1.00 1.16 H new ATOM 0 HD2 ARG A 37 -10.518 5.482 9.384 1.00 1.28 H new ATOM 0 HD3 ARG A 37 -9.819 7.086 9.483 1.00 1.28 H new ATOM 0 HE ARG A 37 -12.589 7.564 9.759 1.00 1.77 H new ATOM 0 HH11 ARG A 37 -10.148 5.535 11.222 1.00 2.31 H new ATOM 0 HH12 ARG A 37 -10.922 5.531 12.810 1.00 2.31 H new ATOM 0 HH21 ARG A 37 -13.580 7.563 11.795 1.00 3.00 H new ATOM 0 HH22 ARG A 37 -12.848 6.669 13.132 1.00 3.00 H new ATOM 621 N PHE A 38 -14.172 6.826 5.778 1.00 0.40 N ATOM 622 CA PHE A 38 -14.889 7.961 5.116 1.00 0.41 C ATOM 623 C PHE A 38 -16.257 7.469 4.605 1.00 0.39 C ATOM 624 O PHE A 38 -16.322 6.485 3.894 1.00 0.51 O ATOM 625 CB PHE A 38 -14.042 8.453 3.939 1.00 0.43 C ATOM 626 CG PHE A 38 -12.738 9.008 4.462 1.00 0.54 C ATOM 627 CD1 PHE A 38 -12.670 10.327 4.929 1.00 1.47 C ATOM 628 CD2 PHE A 38 -11.594 8.200 4.482 1.00 1.21 C ATOM 629 CE1 PHE A 38 -11.459 10.836 5.414 1.00 1.54 C ATOM 630 CE2 PHE A 38 -10.384 8.710 4.968 1.00 1.27 C ATOM 631 CZ PHE A 38 -10.316 10.028 5.433 1.00 0.82 C ATOM 0 H PHE A 38 -13.781 6.135 5.138 1.00 0.40 H new ATOM 0 HA PHE A 38 -15.044 8.775 5.824 1.00 0.41 H new ATOM 0 HB2 PHE A 38 -13.850 7.634 3.246 1.00 0.43 H new ATOM 0 HB3 PHE A 38 -14.581 9.221 3.384 1.00 0.43 H new ATOM 0 HD1 PHE A 38 -13.551 10.951 4.915 1.00 1.47 H new ATOM 0 HD2 PHE A 38 -11.645 7.183 4.122 1.00 1.21 H new ATOM 0 HE1 PHE A 38 -11.407 11.853 5.774 1.00 1.54 H new ATOM 0 HE2 PHE A 38 -9.503 8.086 4.984 1.00 1.27 H new ATOM 0 HZ PHE A 38 -9.382 10.422 5.806 1.00 0.82 H new ATOM 641 N PRO A 39 -17.348 8.114 4.961 1.00 0.53 N ATOM 642 CA PRO A 39 -18.709 7.681 4.518 1.00 0.55 C ATOM 643 C PRO A 39 -19.065 8.136 3.094 1.00 0.47 C ATOM 644 O PRO A 39 -19.999 7.639 2.494 1.00 0.47 O ATOM 645 CB PRO A 39 -19.626 8.360 5.539 1.00 0.70 C ATOM 646 CG PRO A 39 -18.929 9.639 5.859 1.00 1.21 C ATOM 647 CD PRO A 39 -17.431 9.317 5.820 1.00 0.88 C ATOM 0 HA PRO A 39 -18.793 6.595 4.480 1.00 0.55 H new ATOM 0 HB2 PRO A 39 -20.619 8.539 5.126 1.00 0.70 H new ATOM 0 HB3 PRO A 39 -19.757 7.744 6.429 1.00 0.70 H new ATOM 0 HG2 PRO A 39 -19.182 10.414 5.135 1.00 1.21 H new ATOM 0 HG3 PRO A 39 -19.224 10.011 6.840 1.00 1.21 H new ATOM 0 HD2 PRO A 39 -16.855 10.144 5.406 1.00 0.88 H new ATOM 0 HD3 PRO A 39 -17.038 9.123 6.818 1.00 0.88 H new ATOM 655 N PHE A 40 -18.352 9.086 2.553 1.00 0.44 N ATOM 656 CA PHE A 40 -18.677 9.577 1.180 1.00 0.42 C ATOM 657 C PHE A 40 -18.569 8.429 0.168 1.00 0.34 C ATOM 658 O PHE A 40 -19.356 8.318 -0.751 1.00 0.36 O ATOM 659 CB PHE A 40 -17.698 10.697 0.789 1.00 0.48 C ATOM 660 CG PHE A 40 -17.273 11.455 2.026 1.00 1.33 C ATOM 661 CD1 PHE A 40 -18.232 11.877 2.955 1.00 2.20 C ATOM 662 CD2 PHE A 40 -15.917 11.732 2.246 1.00 2.34 C ATOM 663 CE1 PHE A 40 -17.837 12.574 4.103 1.00 3.29 C ATOM 664 CE2 PHE A 40 -15.522 12.429 3.393 1.00 3.41 C ATOM 665 CZ PHE A 40 -16.482 12.849 4.322 1.00 3.74 C ATOM 0 H PHE A 40 -17.558 9.544 3.001 1.00 0.44 H new ATOM 0 HA PHE A 40 -19.697 9.962 1.174 1.00 0.42 H new ATOM 0 HB2 PHE A 40 -16.825 10.274 0.292 1.00 0.48 H new ATOM 0 HB3 PHE A 40 -18.171 11.376 0.079 1.00 0.48 H new ATOM 0 HD1 PHE A 40 -19.277 11.665 2.786 1.00 2.20 H new ATOM 0 HD2 PHE A 40 -15.177 11.407 1.530 1.00 2.34 H new ATOM 0 HE1 PHE A 40 -18.577 12.899 4.819 1.00 3.29 H new ATOM 0 HE2 PHE A 40 -14.477 12.643 3.562 1.00 3.41 H new ATOM 0 HZ PHE A 40 -16.177 13.386 5.208 1.00 3.74 H new ATOM 675 N TYR A 41 -17.579 7.594 0.320 1.00 0.27 N ATOM 676 CA TYR A 41 -17.380 6.468 -0.637 1.00 0.25 C ATOM 677 C TYR A 41 -18.517 5.452 -0.528 1.00 0.29 C ATOM 678 O TYR A 41 -18.716 4.639 -1.409 1.00 0.35 O ATOM 679 CB TYR A 41 -16.052 5.790 -0.320 1.00 0.23 C ATOM 680 CG TYR A 41 -14.950 6.792 -0.540 1.00 0.25 C ATOM 681 CD1 TYR A 41 -14.624 7.693 0.477 1.00 1.10 C ATOM 682 CD2 TYR A 41 -14.271 6.836 -1.761 1.00 1.04 C ATOM 683 CE1 TYR A 41 -13.612 8.638 0.280 1.00 1.12 C ATOM 684 CE2 TYR A 41 -13.260 7.780 -1.964 1.00 1.05 C ATOM 685 CZ TYR A 41 -12.927 8.681 -0.943 1.00 0.34 C ATOM 686 OH TYR A 41 -11.929 9.614 -1.141 1.00 0.40 O ATOM 0 H TYR A 41 -16.893 7.644 1.073 1.00 0.27 H new ATOM 0 HA TYR A 41 -17.373 6.859 -1.654 1.00 0.25 H new ATOM 0 HB2 TYR A 41 -16.043 5.434 0.710 1.00 0.23 H new ATOM 0 HB3 TYR A 41 -15.907 4.919 -0.959 1.00 0.23 H new ATOM 0 HD1 TYR A 41 -15.155 7.660 1.417 1.00 1.10 H new ATOM 0 HD2 TYR A 41 -14.527 6.141 -2.547 1.00 1.04 H new ATOM 0 HE1 TYR A 41 -13.359 9.333 1.067 1.00 1.12 H new ATOM 0 HE2 TYR A 41 -12.736 7.815 -2.907 1.00 1.05 H new ATOM 0 HH TYR A 41 -11.556 9.508 -2.041 1.00 0.40 H new ATOM 696 N ARG A 42 -19.261 5.479 0.540 1.00 0.33 N ATOM 697 CA ARG A 42 -20.370 4.497 0.684 1.00 0.42 C ATOM 698 C ARG A 42 -21.356 4.680 -0.473 1.00 0.44 C ATOM 699 O ARG A 42 -21.747 3.731 -1.123 1.00 0.53 O ATOM 700 CB ARG A 42 -21.101 4.750 2.008 1.00 0.50 C ATOM 701 CG ARG A 42 -20.124 4.636 3.184 1.00 0.58 C ATOM 702 CD ARG A 42 -19.903 3.169 3.566 1.00 0.63 C ATOM 703 NE ARG A 42 -21.203 2.550 3.944 1.00 1.26 N ATOM 704 CZ ARG A 42 -21.315 1.250 3.990 1.00 1.66 C ATOM 705 NH1 ARG A 42 -20.292 0.496 3.690 1.00 1.95 N ATOM 706 NH2 ARG A 42 -22.449 0.705 4.335 1.00 2.51 N ATOM 0 H ARG A 42 -19.151 6.133 1.315 1.00 0.33 H new ATOM 0 HA ARG A 42 -19.967 3.484 0.672 1.00 0.42 H new ATOM 0 HB2 ARG A 42 -21.554 5.741 1.998 1.00 0.50 H new ATOM 0 HB3 ARG A 42 -21.911 4.030 2.128 1.00 0.50 H new ATOM 0 HG2 ARG A 42 -19.172 5.095 2.918 1.00 0.58 H new ATOM 0 HG3 ARG A 42 -20.514 5.185 4.041 1.00 0.58 H new ATOM 0 HD2 ARG A 42 -19.460 2.628 2.730 1.00 0.63 H new ATOM 0 HD3 ARG A 42 -19.201 3.101 4.397 1.00 0.63 H new ATOM 0 HE ARG A 42 -22.005 3.140 4.167 1.00 1.26 H new ATOM 0 HH11 ARG A 42 -19.406 0.923 3.420 1.00 1.95 H new ATOM 0 HH12 ARG A 42 -20.379 -0.520 3.726 1.00 1.95 H new ATOM 0 HH21 ARG A 42 -23.248 1.294 4.569 1.00 2.51 H new ATOM 0 HH22 ARG A 42 -22.537 -0.311 4.371 1.00 2.51 H new ATOM 720 N GLU A 43 -21.757 5.893 -0.731 1.00 0.42 N ATOM 721 CA GLU A 43 -22.720 6.147 -1.841 1.00 0.48 C ATOM 722 C GLU A 43 -22.046 5.916 -3.191 1.00 0.45 C ATOM 723 O GLU A 43 -22.629 5.381 -4.113 1.00 0.66 O ATOM 724 CB GLU A 43 -23.215 7.592 -1.753 1.00 0.62 C ATOM 725 CG GLU A 43 -24.120 7.742 -0.529 1.00 1.27 C ATOM 726 CD GLU A 43 -24.437 9.222 -0.306 1.00 1.75 C ATOM 727 OE1 GLU A 43 -23.550 9.935 0.132 1.00 2.34 O ATOM 728 OE2 GLU A 43 -25.557 9.617 -0.582 1.00 2.28 O ATOM 0 H GLU A 43 -21.459 6.723 -0.219 1.00 0.42 H new ATOM 0 HA GLU A 43 -23.562 5.461 -1.750 1.00 0.48 H new ATOM 0 HB2 GLU A 43 -22.369 8.275 -1.680 1.00 0.62 H new ATOM 0 HB3 GLU A 43 -23.761 7.857 -2.658 1.00 0.62 H new ATOM 0 HG2 GLU A 43 -25.042 7.180 -0.675 1.00 1.27 H new ATOM 0 HG3 GLU A 43 -23.630 7.328 0.352 1.00 1.27 H new ATOM 735 N ASN A 44 -20.821 6.332 -3.309 1.00 0.44 N ATOM 736 CA ASN A 44 -20.079 6.164 -4.596 1.00 0.43 C ATOM 737 C ASN A 44 -19.269 4.868 -4.549 1.00 0.37 C ATOM 738 O ASN A 44 -18.204 4.810 -3.966 1.00 0.47 O ATOM 739 CB ASN A 44 -19.128 7.348 -4.790 1.00 0.54 C ATOM 740 CG ASN A 44 -18.554 7.315 -6.207 1.00 1.30 C ATOM 741 OD1 ASN A 44 -17.387 7.041 -6.398 1.00 2.01 O ATOM 742 ND2 ASN A 44 -19.334 7.590 -7.218 1.00 1.97 N ATOM 0 H ASN A 44 -20.292 6.786 -2.565 1.00 0.44 H new ATOM 0 HA ASN A 44 -20.787 6.123 -5.424 1.00 0.43 H new ATOM 0 HB2 ASN A 44 -19.659 8.285 -4.623 1.00 0.54 H new ATOM 0 HB3 ASN A 44 -18.321 7.304 -4.058 1.00 0.54 H new ATOM 0 HD21 ASN A 44 -18.962 7.574 -8.168 1.00 1.97 H new ATOM 0 HD22 ASN A 44 -20.315 7.820 -7.058 1.00 1.97 H new ATOM 749 N LYS A 45 -19.768 3.822 -5.153 1.00 0.49 N ATOM 750 CA LYS A 45 -19.037 2.520 -5.142 1.00 0.61 C ATOM 751 C LYS A 45 -18.246 2.348 -6.439 1.00 0.71 C ATOM 752 O LYS A 45 -17.145 1.832 -6.444 1.00 0.97 O ATOM 753 CB LYS A 45 -20.049 1.380 -5.043 1.00 0.76 C ATOM 754 CG LYS A 45 -20.720 1.387 -3.669 1.00 0.74 C ATOM 755 CD LYS A 45 -21.727 0.235 -3.599 1.00 0.93 C ATOM 756 CE LYS A 45 -22.409 0.226 -2.231 1.00 1.11 C ATOM 757 NZ LYS A 45 -23.331 1.392 -2.128 1.00 1.68 N ATOM 0 H LYS A 45 -20.655 3.813 -5.656 1.00 0.49 H new ATOM 0 HA LYS A 45 -18.355 2.506 -4.292 1.00 0.61 H new ATOM 0 HB2 LYS A 45 -20.802 1.484 -5.824 1.00 0.76 H new ATOM 0 HB3 LYS A 45 -19.549 0.425 -5.207 1.00 0.76 H new ATOM 0 HG2 LYS A 45 -19.971 1.281 -2.884 1.00 0.74 H new ATOM 0 HG3 LYS A 45 -21.225 2.339 -3.501 1.00 0.74 H new ATOM 0 HD2 LYS A 45 -22.473 0.343 -4.387 1.00 0.93 H new ATOM 0 HD3 LYS A 45 -21.220 -0.715 -3.769 1.00 0.93 H new ATOM 0 HE2 LYS A 45 -22.963 -0.703 -2.095 1.00 1.11 H new ATOM 0 HE3 LYS A 45 -21.661 0.269 -1.439 1.00 1.11 H new ATOM 0 HZ1 LYS A 45 -24.108 1.164 -1.476 1.00 1.68 H new ATOM 0 HZ2 LYS A 45 -22.809 2.217 -1.769 1.00 1.68 H new ATOM 0 HZ3 LYS A 45 -23.720 1.611 -3.067 1.00 1.68 H new ATOM 771 N GLN A 46 -18.811 2.749 -7.543 1.00 0.95 N ATOM 772 CA GLN A 46 -18.112 2.580 -8.849 1.00 1.12 C ATOM 773 C GLN A 46 -17.213 3.786 -9.124 1.00 0.71 C ATOM 774 O GLN A 46 -17.582 4.916 -8.874 1.00 1.16 O ATOM 775 CB GLN A 46 -19.161 2.469 -9.956 1.00 1.90 C ATOM 776 CG GLN A 46 -19.895 1.133 -9.827 1.00 2.64 C ATOM 777 CD GLN A 46 -20.945 1.017 -10.933 1.00 3.38 C ATOM 778 OE1 GLN A 46 -21.242 2.068 -11.648 1.00 3.81 O flip ATOM 779 NE2 GLN A 46 -21.507 -0.038 -11.145 1.00 3.98 N flip ATOM 0 H GLN A 46 -19.730 3.188 -7.598 1.00 0.95 H new ATOM 0 HA GLN A 46 -17.497 1.680 -8.819 1.00 1.12 H new ATOM 0 HB2 GLN A 46 -19.870 3.294 -9.885 1.00 1.90 H new ATOM 0 HB3 GLN A 46 -18.684 2.542 -10.933 1.00 1.90 H new ATOM 0 HG2 GLN A 46 -19.186 0.308 -9.897 1.00 2.64 H new ATOM 0 HG3 GLN A 46 -20.372 1.061 -8.850 1.00 2.64 H new ATOM 0 HE21 GLN A 46 -21.276 -0.860 -10.587 1.00 3.98 H new ATOM 0 HE22 GLN A 46 -22.210 -0.102 -11.881 1.00 3.98 H new ATOM 788 N GLY A 47 -16.040 3.549 -9.653 1.00 0.78 N ATOM 789 CA GLY A 47 -15.101 4.669 -9.972 1.00 0.73 C ATOM 790 C GLY A 47 -13.905 4.651 -9.017 1.00 0.54 C ATOM 791 O GLY A 47 -12.771 4.558 -9.439 1.00 0.64 O ATOM 0 H GLY A 47 -15.689 2.619 -9.880 1.00 0.78 H new ATOM 0 HA2 GLY A 47 -14.754 4.579 -11.001 1.00 0.73 H new ATOM 0 HA3 GLY A 47 -15.623 5.623 -9.894 1.00 0.73 H new ATOM 795 N TRP A 48 -14.139 4.760 -7.735 1.00 0.44 N ATOM 796 CA TRP A 48 -12.996 4.771 -6.776 1.00 0.33 C ATOM 797 C TRP A 48 -12.541 3.341 -6.468 1.00 0.31 C ATOM 798 O TRP A 48 -11.500 3.130 -5.882 1.00 0.37 O ATOM 799 CB TRP A 48 -13.412 5.483 -5.481 1.00 0.36 C ATOM 800 CG TRP A 48 -14.266 4.603 -4.619 1.00 0.35 C ATOM 801 CD1 TRP A 48 -15.608 4.464 -4.719 1.00 0.37 C ATOM 802 CD2 TRP A 48 -13.853 3.758 -3.504 1.00 0.35 C ATOM 803 NE1 TRP A 48 -16.042 3.586 -3.744 1.00 0.37 N ATOM 804 CE2 TRP A 48 -14.999 3.123 -2.971 1.00 0.36 C ATOM 805 CE3 TRP A 48 -12.608 3.482 -2.910 1.00 0.37 C ATOM 806 CZ2 TRP A 48 -14.915 2.246 -1.888 1.00 0.39 C ATOM 807 CZ3 TRP A 48 -12.518 2.601 -1.821 1.00 0.41 C ATOM 808 CH2 TRP A 48 -13.670 1.984 -1.311 1.00 0.42 C ATOM 0 H TRP A 48 -15.064 4.841 -7.314 1.00 0.44 H new ATOM 0 HA TRP A 48 -12.163 5.308 -7.229 1.00 0.33 H new ATOM 0 HB2 TRP A 48 -12.522 5.783 -4.928 1.00 0.36 H new ATOM 0 HB3 TRP A 48 -13.958 6.395 -5.725 1.00 0.36 H new ATOM 0 HD1 TRP A 48 -16.238 4.959 -5.443 1.00 0.37 H new ATOM 0 HE1 TRP A 48 -17.016 3.314 -3.612 1.00 0.37 H new ATOM 0 HE3 TRP A 48 -11.715 3.952 -3.295 1.00 0.37 H new ATOM 0 HZ2 TRP A 48 -15.805 1.774 -1.499 1.00 0.39 H new ATOM 0 HZ3 TRP A 48 -11.557 2.397 -1.373 1.00 0.41 H new ATOM 0 HH2 TRP A 48 -13.594 1.307 -0.473 1.00 0.42 H new ATOM 819 N GLN A 49 -13.312 2.357 -6.840 1.00 0.41 N ATOM 820 CA GLN A 49 -12.909 0.954 -6.538 1.00 0.47 C ATOM 821 C GLN A 49 -11.702 0.541 -7.388 1.00 0.37 C ATOM 822 O GLN A 49 -10.703 0.083 -6.874 1.00 0.38 O ATOM 823 CB GLN A 49 -14.084 0.012 -6.818 1.00 0.65 C ATOM 824 CG GLN A 49 -13.715 -1.408 -6.382 1.00 1.21 C ATOM 825 CD GLN A 49 -14.899 -2.345 -6.630 1.00 1.35 C ATOM 826 OE1 GLN A 49 -15.393 -2.440 -7.736 1.00 1.96 O ATOM 827 NE2 GLN A 49 -15.380 -3.043 -5.638 1.00 1.59 N ATOM 0 H GLN A 49 -14.197 2.461 -7.336 1.00 0.41 H new ATOM 0 HA GLN A 49 -12.629 0.890 -5.486 1.00 0.47 H new ATOM 0 HB2 GLN A 49 -14.971 0.350 -6.281 1.00 0.65 H new ATOM 0 HB3 GLN A 49 -14.330 0.026 -7.880 1.00 0.65 H new ATOM 0 HG2 GLN A 49 -12.842 -1.754 -6.936 1.00 1.21 H new ATOM 0 HG3 GLN A 49 -13.446 -1.417 -5.326 1.00 1.21 H new ATOM 0 HE21 GLN A 49 -14.965 -2.963 -4.710 1.00 1.59 H new ATOM 0 HE22 GLN A 49 -16.171 -3.669 -5.791 1.00 1.59 H new ATOM 836 N ASN A 50 -11.788 0.675 -8.682 1.00 0.37 N ATOM 837 CA ASN A 50 -10.647 0.257 -9.550 1.00 0.39 C ATOM 838 C ASN A 50 -9.454 1.205 -9.377 1.00 0.34 C ATOM 839 O ASN A 50 -8.322 0.833 -9.612 1.00 0.39 O ATOM 840 CB ASN A 50 -11.088 0.283 -11.015 1.00 0.53 C ATOM 841 CG ASN A 50 -12.083 -0.850 -11.274 1.00 0.63 C ATOM 842 OD1 ASN A 50 -12.375 -1.680 -10.312 1.00 1.25 O flip ATOM 843 ND2 ASN A 50 -12.601 -0.979 -12.366 1.00 1.28 N flip ATOM 0 H ASN A 50 -12.595 1.054 -9.177 1.00 0.37 H new ATOM 0 HA ASN A 50 -10.345 -0.750 -9.260 1.00 0.39 H new ATOM 0 HB2 ASN A 50 -11.547 1.244 -11.250 1.00 0.53 H new ATOM 0 HB3 ASN A 50 -10.222 0.175 -11.668 1.00 0.53 H new ATOM 0 HD21 ASN A 50 -12.373 -0.330 -13.119 1.00 1.28 H new ATOM 0 HD22 ASN A 50 -13.264 -1.737 -12.530 1.00 1.28 H new ATOM 850 N SER A 51 -9.691 2.429 -8.991 1.00 0.31 N ATOM 851 CA SER A 51 -8.558 3.388 -8.834 1.00 0.36 C ATOM 852 C SER A 51 -7.566 2.866 -7.790 1.00 0.37 C ATOM 853 O SER A 51 -6.367 2.980 -7.946 1.00 0.50 O ATOM 854 CB SER A 51 -9.105 4.741 -8.374 1.00 0.38 C ATOM 855 OG SER A 51 -9.610 4.619 -7.052 1.00 1.49 O ATOM 0 H SER A 51 -10.615 2.806 -8.778 1.00 0.31 H new ATOM 0 HA SER A 51 -8.047 3.496 -9.790 1.00 0.36 H new ATOM 0 HB2 SER A 51 -8.318 5.494 -8.407 1.00 0.38 H new ATOM 0 HB3 SER A 51 -9.894 5.075 -9.048 1.00 0.38 H new ATOM 0 HG SER A 51 -10.178 3.823 -6.991 1.00 1.49 H new ATOM 861 N ILE A 52 -8.061 2.300 -6.728 1.00 0.33 N ATOM 862 CA ILE A 52 -7.163 1.773 -5.662 1.00 0.43 C ATOM 863 C ILE A 52 -6.241 0.683 -6.223 1.00 0.42 C ATOM 864 O ILE A 52 -5.050 0.686 -5.983 1.00 0.47 O ATOM 865 CB ILE A 52 -8.034 1.202 -4.537 1.00 0.51 C ATOM 866 CG1 ILE A 52 -8.892 2.320 -3.916 1.00 0.62 C ATOM 867 CG2 ILE A 52 -7.159 0.552 -3.462 1.00 0.64 C ATOM 868 CD1 ILE A 52 -8.024 3.450 -3.348 1.00 0.64 C ATOM 0 H ILE A 52 -9.058 2.178 -6.550 1.00 0.33 H new ATOM 0 HA ILE A 52 -6.535 2.577 -5.279 1.00 0.43 H new ATOM 0 HB ILE A 52 -8.692 0.441 -4.957 1.00 0.51 H new ATOM 0 HG12 ILE A 52 -9.567 2.723 -4.671 1.00 0.62 H new ATOM 0 HG13 ILE A 52 -9.513 1.904 -3.123 1.00 0.62 H new ATOM 0 HG21 ILE A 52 -7.792 0.152 -2.670 1.00 0.64 H new ATOM 0 HG22 ILE A 52 -6.578 -0.256 -3.906 1.00 0.64 H new ATOM 0 HG23 ILE A 52 -6.483 1.297 -3.043 1.00 0.64 H new ATOM 0 HD11 ILE A 52 -8.665 4.220 -2.919 1.00 0.64 H new ATOM 0 HD12 ILE A 52 -7.368 3.051 -2.575 1.00 0.64 H new ATOM 0 HD13 ILE A 52 -7.422 3.883 -4.147 1.00 0.64 H new ATOM 880 N ARG A 53 -6.776 -0.262 -6.946 1.00 0.45 N ATOM 881 CA ARG A 53 -5.924 -1.362 -7.494 1.00 0.53 C ATOM 882 C ARG A 53 -5.000 -0.829 -8.594 1.00 0.49 C ATOM 883 O ARG A 53 -3.842 -1.188 -8.670 1.00 0.47 O ATOM 884 CB ARG A 53 -6.836 -2.452 -8.082 1.00 0.76 C ATOM 885 CG ARG A 53 -8.140 -2.518 -7.277 1.00 0.56 C ATOM 886 CD ARG A 53 -8.828 -3.885 -7.423 1.00 0.37 C ATOM 887 NE ARG A 53 -8.438 -4.558 -8.704 1.00 1.42 N ATOM 888 CZ ARG A 53 -8.645 -4.001 -9.865 1.00 1.74 C ATOM 889 NH1 ARG A 53 -9.241 -2.843 -9.944 1.00 1.58 N ATOM 890 NH2 ARG A 53 -8.264 -4.612 -10.954 1.00 2.76 N ATOM 0 H ARG A 53 -7.766 -0.322 -7.183 1.00 0.45 H new ATOM 0 HA ARG A 53 -5.312 -1.772 -6.691 1.00 0.53 H new ATOM 0 HB2 ARG A 53 -7.053 -2.234 -9.128 1.00 0.76 H new ATOM 0 HB3 ARG A 53 -6.331 -3.417 -8.055 1.00 0.76 H new ATOM 0 HG2 ARG A 53 -7.929 -2.327 -6.225 1.00 0.56 H new ATOM 0 HG3 ARG A 53 -8.816 -1.732 -7.614 1.00 0.56 H new ATOM 0 HD2 ARG A 53 -8.560 -4.521 -6.579 1.00 0.37 H new ATOM 0 HD3 ARG A 53 -9.910 -3.755 -7.393 1.00 0.37 H new ATOM 0 HE ARG A 53 -7.998 -5.478 -8.667 1.00 1.42 H new ATOM 0 HH11 ARG A 53 -9.548 -2.368 -9.095 1.00 1.58 H new ATOM 0 HH12 ARG A 53 -9.400 -2.412 -10.855 1.00 1.58 H new ATOM 0 HH21 ARG A 53 -7.806 -5.522 -10.895 1.00 2.76 H new ATOM 0 HH22 ARG A 53 -8.424 -4.180 -11.864 1.00 2.76 H new ATOM 904 N HIS A 54 -5.506 0.005 -9.461 1.00 0.52 N ATOM 905 CA HIS A 54 -4.653 0.531 -10.563 1.00 0.59 C ATOM 906 C HIS A 54 -3.464 1.281 -9.957 1.00 0.53 C ATOM 907 O HIS A 54 -2.336 1.118 -10.375 1.00 0.59 O ATOM 908 CB HIS A 54 -5.497 1.467 -11.458 1.00 0.67 C ATOM 909 CG HIS A 54 -5.349 1.089 -12.911 1.00 1.12 C ATOM 910 ND1 HIS A 54 -6.403 1.171 -13.808 1.00 1.81 N ATOM 911 CD2 HIS A 54 -4.279 0.616 -13.633 1.00 1.99 C ATOM 912 CE1 HIS A 54 -5.950 0.758 -15.005 1.00 2.38 C ATOM 913 NE2 HIS A 54 -4.662 0.408 -14.955 1.00 2.48 N ATOM 0 H HIS A 54 -6.468 0.343 -9.454 1.00 0.52 H new ATOM 0 HA HIS A 54 -4.276 -0.287 -11.177 1.00 0.59 H new ATOM 0 HB2 HIS A 54 -6.546 1.409 -11.167 1.00 0.67 H new ATOM 0 HB3 HIS A 54 -5.182 2.500 -11.312 1.00 0.67 H new ATOM 0 HD2 HIS A 54 -3.292 0.434 -13.235 1.00 1.99 H new ATOM 0 HE1 HIS A 54 -6.555 0.715 -15.899 1.00 2.38 H new ATOM 0 HE2 HIS A 54 -4.083 0.063 -15.721 1.00 2.48 H new ATOM 921 N ASN A 55 -3.707 2.097 -8.972 1.00 0.46 N ATOM 922 CA ASN A 55 -2.586 2.850 -8.349 1.00 0.50 C ATOM 923 C ASN A 55 -1.564 1.863 -7.777 1.00 0.45 C ATOM 924 O ASN A 55 -0.370 2.065 -7.879 1.00 0.51 O ATOM 925 CB ASN A 55 -3.131 3.732 -7.224 1.00 0.53 C ATOM 926 CG ASN A 55 -3.956 4.871 -7.825 1.00 1.27 C ATOM 927 OD1 ASN A 55 -3.692 5.316 -8.925 1.00 2.07 O ATOM 928 ND2 ASN A 55 -4.959 5.360 -7.148 1.00 1.97 N ATOM 0 H ASN A 55 -4.629 2.275 -8.573 1.00 0.46 H new ATOM 0 HA ASN A 55 -2.104 3.475 -9.100 1.00 0.50 H new ATOM 0 HB2 ASN A 55 -3.748 3.139 -6.548 1.00 0.53 H new ATOM 0 HB3 ASN A 55 -2.309 4.136 -6.633 1.00 0.53 H new ATOM 0 HD21 ASN A 55 -5.521 6.115 -7.542 1.00 1.97 H new ATOM 0 HD22 ASN A 55 -5.181 4.987 -6.225 1.00 1.97 H new ATOM 935 N LEU A 56 -2.020 0.795 -7.174 1.00 0.39 N ATOM 936 CA LEU A 56 -1.061 -0.192 -6.600 1.00 0.39 C ATOM 937 C LEU A 56 -0.175 -0.779 -7.701 1.00 0.44 C ATOM 938 O LEU A 56 1.014 -0.955 -7.523 1.00 0.78 O ATOM 939 CB LEU A 56 -1.814 -1.327 -5.899 1.00 0.44 C ATOM 940 CG LEU A 56 -2.470 -0.811 -4.610 1.00 0.50 C ATOM 941 CD1 LEU A 56 -3.381 -1.902 -4.038 1.00 0.65 C ATOM 942 CD2 LEU A 56 -1.395 -0.444 -3.566 1.00 0.53 C ATOM 0 H LEU A 56 -3.007 0.566 -7.056 1.00 0.39 H new ATOM 0 HA LEU A 56 -0.437 0.328 -5.873 1.00 0.39 H new ATOM 0 HB2 LEU A 56 -2.575 -1.734 -6.565 1.00 0.44 H new ATOM 0 HB3 LEU A 56 -1.126 -2.140 -5.666 1.00 0.44 H new ATOM 0 HG LEU A 56 -3.053 0.081 -4.842 1.00 0.50 H new ATOM 0 HD11 LEU A 56 -3.850 -1.541 -3.122 1.00 0.65 H new ATOM 0 HD12 LEU A 56 -4.152 -2.151 -4.767 1.00 0.65 H new ATOM 0 HD13 LEU A 56 -2.790 -2.791 -3.817 1.00 0.65 H new ATOM 0 HD21 LEU A 56 -1.878 -0.080 -2.659 1.00 0.53 H new ATOM 0 HD22 LEU A 56 -0.800 -1.326 -3.331 1.00 0.53 H new ATOM 0 HD23 LEU A 56 -0.747 0.334 -3.969 1.00 0.53 H new ATOM 954 N SER A 57 -0.741 -1.097 -8.831 1.00 0.55 N ATOM 955 CA SER A 57 0.075 -1.690 -9.928 1.00 0.61 C ATOM 956 C SER A 57 1.085 -0.670 -10.466 1.00 0.64 C ATOM 957 O SER A 57 2.243 -0.982 -10.658 1.00 0.69 O ATOM 958 CB SER A 57 -0.855 -2.135 -11.057 1.00 0.71 C ATOM 959 OG SER A 57 -1.638 -1.028 -11.482 1.00 1.60 O ATOM 0 H SER A 57 -1.731 -0.973 -9.043 1.00 0.55 H new ATOM 0 HA SER A 57 0.626 -2.545 -9.537 1.00 0.61 H new ATOM 0 HB2 SER A 57 -0.272 -2.525 -11.892 1.00 0.71 H new ATOM 0 HB3 SER A 57 -1.502 -2.943 -10.714 1.00 0.71 H new ATOM 0 HG SER A 57 -1.705 -0.376 -10.754 1.00 1.60 H new ATOM 965 N LEU A 58 0.665 0.540 -10.725 1.00 0.65 N ATOM 966 CA LEU A 58 1.620 1.555 -11.262 1.00 0.73 C ATOM 967 C LEU A 58 2.625 1.964 -10.178 1.00 0.69 C ATOM 968 O LEU A 58 3.794 2.153 -10.448 1.00 0.76 O ATOM 969 CB LEU A 58 0.856 2.801 -11.737 1.00 0.81 C ATOM 970 CG LEU A 58 0.281 2.585 -13.144 1.00 0.95 C ATOM 971 CD1 LEU A 58 -0.908 1.624 -13.088 1.00 1.38 C ATOM 972 CD2 LEU A 58 -0.191 3.930 -13.701 1.00 1.31 C ATOM 0 H LEU A 58 -0.291 0.869 -10.589 1.00 0.65 H new ATOM 0 HA LEU A 58 2.155 1.113 -12.103 1.00 0.73 H new ATOM 0 HB2 LEU A 58 0.049 3.026 -11.040 1.00 0.81 H new ATOM 0 HB3 LEU A 58 1.523 3.663 -11.740 1.00 0.81 H new ATOM 0 HG LEU A 58 1.054 2.160 -13.784 1.00 0.95 H new ATOM 0 HD11 LEU A 58 -1.307 1.479 -14.092 1.00 1.38 H new ATOM 0 HD12 LEU A 58 -0.582 0.665 -12.685 1.00 1.38 H new ATOM 0 HD13 LEU A 58 -1.684 2.042 -12.447 1.00 1.38 H new ATOM 0 HD21 LEU A 58 -0.601 3.786 -14.701 1.00 1.31 H new ATOM 0 HD22 LEU A 58 -0.960 4.344 -13.049 1.00 1.31 H new ATOM 0 HD23 LEU A 58 0.652 4.619 -13.750 1.00 1.31 H new ATOM 984 N ASN A 59 2.181 2.115 -8.961 1.00 0.62 N ATOM 985 CA ASN A 59 3.118 2.531 -7.879 1.00 0.61 C ATOM 986 C ASN A 59 3.953 1.328 -7.442 1.00 0.56 C ATOM 987 O ASN A 59 3.436 0.339 -6.964 1.00 0.52 O ATOM 988 CB ASN A 59 2.316 3.063 -6.690 1.00 0.64 C ATOM 989 CG ASN A 59 1.512 4.287 -7.130 1.00 0.83 C ATOM 990 OD1 ASN A 59 0.213 4.276 -7.007 1.00 1.42 O flip ATOM 991 ND2 ASN A 59 2.070 5.259 -7.602 1.00 1.29 N flip ATOM 0 H ASN A 59 1.215 1.969 -8.669 1.00 0.62 H new ATOM 0 HA ASN A 59 3.780 3.315 -8.247 1.00 0.61 H new ATOM 0 HB2 ASN A 59 1.646 2.290 -6.313 1.00 0.64 H new ATOM 0 HB3 ASN A 59 2.987 3.329 -5.873 1.00 0.64 H new ATOM 0 HD21 ASN A 59 3.085 5.267 -7.698 1.00 1.29 H new ATOM 0 HD22 ASN A 59 1.523 6.066 -7.902 1.00 1.29 H new ATOM 998 N GLU A 60 5.245 1.406 -7.610 1.00 0.62 N ATOM 999 CA GLU A 60 6.127 0.273 -7.218 1.00 0.65 C ATOM 1000 C GLU A 60 6.588 0.445 -5.768 1.00 0.58 C ATOM 1001 O GLU A 60 7.268 -0.400 -5.222 1.00 0.55 O ATOM 1002 CB GLU A 60 7.336 0.247 -8.151 1.00 0.84 C ATOM 1003 CG GLU A 60 6.847 0.061 -9.589 1.00 0.97 C ATOM 1004 CD GLU A 60 8.046 0.033 -10.537 1.00 1.52 C ATOM 1005 OE1 GLU A 60 9.139 0.338 -10.088 1.00 2.17 O ATOM 1006 OE2 GLU A 60 7.852 -0.296 -11.696 1.00 2.02 O ATOM 0 H GLU A 60 5.729 2.212 -8.005 1.00 0.62 H new ATOM 0 HA GLU A 60 5.579 -0.666 -7.298 1.00 0.65 H new ATOM 0 HB2 GLU A 60 7.901 1.175 -8.062 1.00 0.84 H new ATOM 0 HB3 GLU A 60 8.009 -0.564 -7.874 1.00 0.84 H new ATOM 0 HG2 GLU A 60 6.281 -0.867 -9.675 1.00 0.97 H new ATOM 0 HG3 GLU A 60 6.173 0.872 -9.863 1.00 0.97 H new ATOM 1013 N CYS A 61 6.217 1.526 -5.138 1.00 0.62 N ATOM 1014 CA CYS A 61 6.632 1.734 -3.722 1.00 0.65 C ATOM 1015 C CYS A 61 6.054 0.607 -2.867 1.00 0.53 C ATOM 1016 O CYS A 61 6.644 0.185 -1.892 1.00 0.57 O ATOM 1017 CB CYS A 61 6.107 3.082 -3.221 1.00 0.78 C ATOM 1018 SG CYS A 61 4.327 3.190 -3.527 1.00 1.56 S ATOM 0 H CYS A 61 5.647 2.271 -5.540 1.00 0.62 H new ATOM 0 HA CYS A 61 7.720 1.730 -3.653 1.00 0.65 H new ATOM 0 HB2 CYS A 61 6.311 3.190 -2.156 1.00 0.78 H new ATOM 0 HB3 CYS A 61 6.624 3.897 -3.728 1.00 0.78 H new ATOM 0 HG CYS A 61 3.726 2.191 -2.952 1.00 1.56 H new ATOM 1024 N PHE A 62 4.902 0.116 -3.230 1.00 0.46 N ATOM 1025 CA PHE A 62 4.277 -0.985 -2.448 1.00 0.40 C ATOM 1026 C PHE A 62 4.942 -2.310 -2.825 1.00 0.44 C ATOM 1027 O PHE A 62 5.407 -2.487 -3.934 1.00 0.55 O ATOM 1028 CB PHE A 62 2.782 -1.044 -2.766 1.00 0.44 C ATOM 1029 CG PHE A 62 2.145 0.272 -2.389 1.00 0.40 C ATOM 1030 CD1 PHE A 62 1.659 0.468 -1.092 1.00 1.27 C ATOM 1031 CD2 PHE A 62 2.054 1.303 -3.333 1.00 1.29 C ATOM 1032 CE1 PHE A 62 1.080 1.692 -0.737 1.00 1.32 C ATOM 1033 CE2 PHE A 62 1.477 2.528 -2.979 1.00 1.32 C ATOM 1034 CZ PHE A 62 0.989 2.722 -1.681 1.00 0.59 C ATOM 0 H PHE A 62 4.365 0.432 -4.038 1.00 0.46 H new ATOM 0 HA PHE A 62 4.411 -0.806 -1.381 1.00 0.40 H new ATOM 0 HB2 PHE A 62 2.631 -1.245 -3.827 1.00 0.44 H new ATOM 0 HB3 PHE A 62 2.313 -1.860 -2.217 1.00 0.44 H new ATOM 0 HD1 PHE A 62 1.731 -0.326 -0.364 1.00 1.27 H new ATOM 0 HD2 PHE A 62 2.429 1.153 -4.334 1.00 1.29 H new ATOM 0 HE1 PHE A 62 0.704 1.842 0.264 1.00 1.32 H new ATOM 0 HE2 PHE A 62 1.408 3.323 -3.707 1.00 1.32 H new ATOM 0 HZ PHE A 62 0.542 3.667 -1.408 1.00 0.59 H new ATOM 1044 N VAL A 63 4.995 -3.240 -1.906 1.00 0.46 N ATOM 1045 CA VAL A 63 5.635 -4.561 -2.188 1.00 0.55 C ATOM 1046 C VAL A 63 4.545 -5.630 -2.262 1.00 0.45 C ATOM 1047 O VAL A 63 3.785 -5.822 -1.334 1.00 0.45 O ATOM 1048 CB VAL A 63 6.604 -4.901 -1.053 1.00 0.74 C ATOM 1049 CG1 VAL A 63 7.289 -6.236 -1.347 1.00 0.85 C ATOM 1050 CG2 VAL A 63 7.656 -3.795 -0.937 1.00 0.91 C ATOM 0 H VAL A 63 4.619 -3.140 -0.963 1.00 0.46 H new ATOM 0 HA VAL A 63 6.179 -4.521 -3.132 1.00 0.55 H new ATOM 0 HB VAL A 63 6.055 -4.979 -0.115 1.00 0.74 H new ATOM 0 HG11 VAL A 63 7.979 -6.477 -0.538 1.00 0.85 H new ATOM 0 HG12 VAL A 63 6.537 -7.021 -1.428 1.00 0.85 H new ATOM 0 HG13 VAL A 63 7.840 -6.163 -2.284 1.00 0.85 H new ATOM 0 HG21 VAL A 63 8.348 -4.034 -0.129 1.00 0.91 H new ATOM 0 HG22 VAL A 63 8.206 -3.716 -1.875 1.00 0.91 H new ATOM 0 HG23 VAL A 63 7.164 -2.846 -0.724 1.00 0.91 H new ATOM 1060 N LYS A 64 4.453 -6.315 -3.368 1.00 0.53 N ATOM 1061 CA LYS A 64 3.400 -7.359 -3.516 1.00 0.56 C ATOM 1062 C LYS A 64 3.841 -8.654 -2.828 1.00 0.54 C ATOM 1063 O LYS A 64 4.745 -9.330 -3.276 1.00 0.77 O ATOM 1064 CB LYS A 64 3.168 -7.623 -5.006 1.00 0.84 C ATOM 1065 CG LYS A 64 1.990 -8.588 -5.189 1.00 0.94 C ATOM 1066 CD LYS A 64 1.821 -8.940 -6.673 1.00 1.11 C ATOM 1067 CE LYS A 64 1.073 -7.823 -7.410 1.00 1.05 C ATOM 1068 NZ LYS A 64 0.786 -8.262 -8.805 1.00 1.81 N ATOM 0 H LYS A 64 5.063 -6.197 -4.177 1.00 0.53 H new ATOM 0 HA LYS A 64 2.477 -7.011 -3.051 1.00 0.56 H new ATOM 0 HB2 LYS A 64 2.965 -6.685 -5.523 1.00 0.84 H new ATOM 0 HB3 LYS A 64 4.068 -8.045 -5.454 1.00 0.84 H new ATOM 0 HG2 LYS A 64 2.160 -9.495 -4.609 1.00 0.94 H new ATOM 0 HG3 LYS A 64 1.075 -8.133 -4.809 1.00 0.94 H new ATOM 0 HD2 LYS A 64 2.799 -9.093 -7.130 1.00 1.11 H new ATOM 0 HD3 LYS A 64 1.273 -9.877 -6.770 1.00 1.11 H new ATOM 0 HE2 LYS A 64 0.143 -7.588 -6.892 1.00 1.05 H new ATOM 0 HE3 LYS A 64 1.672 -6.912 -7.419 1.00 1.05 H new ATOM 0 HZ1 LYS A 64 0.278 -7.507 -9.309 1.00 1.81 H new ATOM 0 HZ2 LYS A 64 1.680 -8.466 -9.296 1.00 1.81 H new ATOM 0 HZ3 LYS A 64 0.199 -9.120 -8.785 1.00 1.81 H new ATOM 1082 N VAL A 65 3.187 -9.014 -1.753 1.00 0.50 N ATOM 1083 CA VAL A 65 3.533 -10.276 -1.031 1.00 0.57 C ATOM 1084 C VAL A 65 2.464 -11.326 -1.374 1.00 0.63 C ATOM 1085 O VAL A 65 1.315 -11.159 -1.016 1.00 0.84 O ATOM 1086 CB VAL A 65 3.519 -10.018 0.478 1.00 0.69 C ATOM 1087 CG1 VAL A 65 3.763 -11.330 1.225 1.00 1.28 C ATOM 1088 CG2 VAL A 65 4.621 -9.018 0.836 1.00 0.69 C ATOM 0 H VAL A 65 2.421 -8.482 -1.341 1.00 0.50 H new ATOM 0 HA VAL A 65 4.523 -10.625 -1.326 1.00 0.57 H new ATOM 0 HB VAL A 65 2.549 -9.611 0.765 1.00 0.69 H new ATOM 0 HG11 VAL A 65 3.753 -11.145 2.299 1.00 1.28 H new ATOM 0 HG12 VAL A 65 2.979 -12.044 0.973 1.00 1.28 H new ATOM 0 HG13 VAL A 65 4.732 -11.738 0.937 1.00 1.28 H new ATOM 0 HG21 VAL A 65 4.611 -8.834 1.910 1.00 0.69 H new ATOM 0 HG22 VAL A 65 5.590 -9.425 0.547 1.00 0.69 H new ATOM 0 HG23 VAL A 65 4.448 -8.081 0.306 1.00 0.69 H new ATOM 1098 N PRO A 66 2.798 -12.387 -2.072 1.00 0.81 N ATOM 1099 CA PRO A 66 1.796 -13.424 -2.455 1.00 0.96 C ATOM 1100 C PRO A 66 1.481 -14.392 -1.312 1.00 0.95 C ATOM 1101 O PRO A 66 2.344 -14.765 -0.542 1.00 1.13 O ATOM 1102 CB PRO A 66 2.475 -14.153 -3.617 1.00 1.25 C ATOM 1103 CG PRO A 66 3.935 -14.068 -3.309 1.00 1.65 C ATOM 1104 CD PRO A 66 4.143 -12.737 -2.575 1.00 1.18 C ATOM 0 HA PRO A 66 0.832 -12.986 -2.714 1.00 0.96 H new ATOM 0 HB2 PRO A 66 2.143 -15.189 -3.684 1.00 1.25 H new ATOM 0 HB3 PRO A 66 2.242 -13.681 -4.572 1.00 1.25 H new ATOM 0 HG2 PRO A 66 4.251 -14.907 -2.690 1.00 1.65 H new ATOM 0 HG3 PRO A 66 4.528 -14.105 -4.223 1.00 1.65 H new ATOM 0 HD2 PRO A 66 4.859 -12.839 -1.760 1.00 1.18 H new ATOM 0 HD3 PRO A 66 4.530 -11.969 -3.245 1.00 1.18 H new ATOM 1112 N ARG A 67 0.247 -14.806 -1.203 1.00 1.01 N ATOM 1113 CA ARG A 67 -0.126 -15.756 -0.121 1.00 1.04 C ATOM 1114 C ARG A 67 0.456 -17.131 -0.445 1.00 1.22 C ATOM 1115 O ARG A 67 0.493 -17.546 -1.587 1.00 1.43 O ATOM 1116 CB ARG A 67 -1.651 -15.858 -0.029 1.00 1.12 C ATOM 1117 CG ARG A 67 -2.207 -16.410 -1.344 1.00 1.26 C ATOM 1118 CD ARG A 67 -3.733 -16.333 -1.322 1.00 1.35 C ATOM 1119 NE ARG A 67 -4.264 -16.724 -2.659 1.00 2.34 N ATOM 1120 CZ ARG A 67 -5.520 -17.047 -2.798 1.00 3.01 C ATOM 1121 NH1 ARG A 67 -6.309 -17.067 -1.759 1.00 3.04 N ATOM 1122 NH2 ARG A 67 -5.985 -17.360 -3.976 1.00 4.09 N ATOM 0 H ARG A 67 -0.517 -14.526 -1.818 1.00 1.01 H new ATOM 0 HA ARG A 67 0.268 -15.401 0.831 1.00 1.04 H new ATOM 0 HB2 ARG A 67 -1.933 -16.509 0.799 1.00 1.12 H new ATOM 0 HB3 ARG A 67 -2.080 -14.877 0.176 1.00 1.12 H new ATOM 0 HG2 ARG A 67 -1.815 -15.839 -2.186 1.00 1.26 H new ATOM 0 HG3 ARG A 67 -1.886 -17.442 -1.482 1.00 1.26 H new ATOM 0 HD2 ARG A 67 -4.131 -16.994 -0.552 1.00 1.35 H new ATOM 0 HD3 ARG A 67 -4.054 -15.322 -1.072 1.00 1.35 H new ATOM 0 HE ARG A 67 -3.643 -16.739 -3.468 1.00 2.34 H new ATOM 0 HH11 ARG A 67 -5.944 -16.830 -0.837 1.00 3.04 H new ATOM 0 HH12 ARG A 67 -7.291 -17.320 -1.869 1.00 3.04 H new ATOM 0 HH21 ARG A 67 -5.367 -17.352 -4.787 1.00 4.09 H new ATOM 0 HH22 ARG A 67 -6.967 -17.613 -4.086 1.00 4.09 H new ATOM 1136 N ASP A 68 0.911 -17.843 0.548 1.00 1.37 N ATOM 1137 CA ASP A 68 1.490 -19.191 0.292 1.00 1.69 C ATOM 1138 C ASP A 68 0.356 -20.217 0.208 1.00 1.82 C ATOM 1139 O ASP A 68 -0.672 -20.071 0.838 1.00 1.72 O ATOM 1140 CB ASP A 68 2.438 -19.555 1.436 1.00 2.04 C ATOM 1141 CG ASP A 68 3.679 -18.664 1.369 1.00 2.36 C ATOM 1142 OD1 ASP A 68 3.935 -18.115 0.311 1.00 2.80 O ATOM 1143 OD2 ASP A 68 4.350 -18.540 2.381 1.00 2.84 O ATOM 0 H ASP A 68 0.907 -17.550 1.525 1.00 1.37 H new ATOM 0 HA ASP A 68 2.043 -19.188 -0.647 1.00 1.69 H new ATOM 0 HB2 ASP A 68 1.935 -19.426 2.395 1.00 2.04 H new ATOM 0 HB3 ASP A 68 2.725 -20.604 1.365 1.00 2.04 H new ATOM 1148 N ASP A 69 0.530 -21.251 -0.570 1.00 2.20 N ATOM 1149 CA ASP A 69 -0.545 -22.278 -0.696 1.00 2.51 C ATOM 1150 C ASP A 69 -0.831 -22.895 0.674 1.00 2.64 C ATOM 1151 O ASP A 69 -1.967 -23.149 1.026 1.00 2.81 O ATOM 1152 CB ASP A 69 -0.096 -23.372 -1.666 1.00 2.99 C ATOM 1153 CG ASP A 69 -0.060 -22.810 -3.087 1.00 3.02 C ATOM 1154 OD1 ASP A 69 -0.714 -21.808 -3.324 1.00 3.46 O ATOM 1155 OD2 ASP A 69 0.619 -23.394 -3.917 1.00 3.02 O ATOM 0 H ASP A 69 1.368 -21.429 -1.123 1.00 2.20 H new ATOM 0 HA ASP A 69 -1.452 -21.806 -1.075 1.00 2.51 H new ATOM 0 HB2 ASP A 69 0.890 -23.740 -1.384 1.00 2.99 H new ATOM 0 HB3 ASP A 69 -0.779 -24.220 -1.616 1.00 2.99 H new ATOM 1160 N LYS A 70 0.186 -23.139 1.452 1.00 2.71 N ATOM 1161 CA LYS A 70 -0.033 -23.740 2.797 1.00 3.01 C ATOM 1162 C LYS A 70 -0.824 -22.761 3.666 1.00 2.88 C ATOM 1163 O LYS A 70 -1.502 -23.153 4.594 1.00 3.27 O ATOM 1164 CB LYS A 70 1.318 -24.041 3.451 1.00 3.24 C ATOM 1165 CG LYS A 70 1.989 -25.198 2.709 1.00 3.55 C ATOM 1166 CD LYS A 70 3.341 -25.509 3.354 1.00 3.99 C ATOM 1167 CE LYS A 70 4.008 -26.667 2.609 1.00 4.15 C ATOM 1168 NZ LYS A 70 4.166 -26.306 1.172 1.00 4.50 N ATOM 0 H LYS A 70 1.160 -22.948 1.215 1.00 2.71 H new ATOM 0 HA LYS A 70 -0.595 -24.669 2.696 1.00 3.01 H new ATOM 0 HB2 LYS A 70 1.955 -23.157 3.422 1.00 3.24 H new ATOM 0 HB3 LYS A 70 1.178 -24.299 4.501 1.00 3.24 H new ATOM 0 HG2 LYS A 70 1.350 -26.081 2.738 1.00 3.55 H new ATOM 0 HG3 LYS A 70 2.127 -24.938 1.659 1.00 3.55 H new ATOM 0 HD2 LYS A 70 3.981 -24.627 3.325 1.00 3.99 H new ATOM 0 HD3 LYS A 70 3.204 -25.769 4.404 1.00 3.99 H new ATOM 0 HE2 LYS A 70 4.981 -26.885 3.050 1.00 4.15 H new ATOM 0 HE3 LYS A 70 3.405 -27.570 2.704 1.00 4.15 H new ATOM 0 HZ1 LYS A 70 4.908 -26.897 0.745 1.00 4.50 H new ATOM 0 HZ2 LYS A 70 3.267 -26.464 0.673 1.00 4.50 H new ATOM 0 HZ3 LYS A 70 4.434 -25.304 1.093 1.00 4.50 H new ATOM 1182 N LYS A 71 -0.735 -21.487 3.372 1.00 2.51 N ATOM 1183 CA LYS A 71 -1.468 -20.460 4.167 1.00 2.52 C ATOM 1184 C LYS A 71 -2.464 -19.728 3.253 1.00 2.41 C ATOM 1185 O LYS A 71 -2.135 -18.727 2.651 1.00 2.53 O ATOM 1186 CB LYS A 71 -0.446 -19.460 4.723 1.00 2.71 C ATOM 1187 CG LYS A 71 -1.159 -18.216 5.266 1.00 3.18 C ATOM 1188 CD LYS A 71 -0.255 -17.491 6.266 1.00 3.84 C ATOM 1189 CE LYS A 71 -0.987 -16.268 6.819 1.00 4.55 C ATOM 1190 NZ LYS A 71 -2.281 -16.697 7.423 1.00 5.12 N ATOM 0 H LYS A 71 -0.177 -21.113 2.604 1.00 2.51 H new ATOM 0 HA LYS A 71 -2.013 -20.930 4.986 1.00 2.52 H new ATOM 0 HB2 LYS A 71 0.137 -19.928 5.516 1.00 2.71 H new ATOM 0 HB3 LYS A 71 0.255 -19.173 3.939 1.00 2.71 H new ATOM 0 HG2 LYS A 71 -1.417 -17.547 4.445 1.00 3.18 H new ATOM 0 HG3 LYS A 71 -2.093 -18.503 5.749 1.00 3.18 H new ATOM 0 HD2 LYS A 71 0.019 -18.163 7.079 1.00 3.84 H new ATOM 0 HD3 LYS A 71 0.671 -17.185 5.780 1.00 3.84 H new ATOM 0 HE2 LYS A 71 -0.371 -15.769 7.567 1.00 4.55 H new ATOM 0 HE3 LYS A 71 -1.166 -15.547 6.022 1.00 4.55 H new ATOM 0 HZ1 LYS A 71 -2.591 -15.989 8.119 1.00 5.12 H new ATOM 0 HZ2 LYS A 71 -3.000 -16.787 6.677 1.00 5.12 H new ATOM 0 HZ3 LYS A 71 -2.156 -17.615 7.895 1.00 5.12 H new ATOM 1204 N PRO A 72 -3.677 -20.208 3.153 1.00 2.64 N ATOM 1205 CA PRO A 72 -4.720 -19.551 2.314 1.00 2.88 C ATOM 1206 C PRO A 72 -4.973 -18.114 2.784 1.00 2.93 C ATOM 1207 O PRO A 72 -5.017 -17.840 3.967 1.00 3.55 O ATOM 1208 CB PRO A 72 -5.969 -20.428 2.511 1.00 3.42 C ATOM 1209 CG PRO A 72 -5.450 -21.743 2.998 1.00 3.63 C ATOM 1210 CD PRO A 72 -4.192 -21.423 3.804 1.00 3.15 C ATOM 0 HA PRO A 72 -4.429 -19.474 1.266 1.00 2.88 H new ATOM 0 HB2 PRO A 72 -6.653 -19.983 3.233 1.00 3.42 H new ATOM 0 HB3 PRO A 72 -6.521 -20.543 1.578 1.00 3.42 H new ATOM 0 HG2 PRO A 72 -6.191 -22.251 3.615 1.00 3.63 H new ATOM 0 HG3 PRO A 72 -5.221 -22.406 2.164 1.00 3.63 H new ATOM 0 HD2 PRO A 72 -4.420 -21.251 4.856 1.00 3.15 H new ATOM 0 HD3 PRO A 72 -3.470 -22.238 3.764 1.00 3.15 H new ATOM 1218 N GLY A 73 -5.133 -17.193 1.874 1.00 2.75 N ATOM 1219 CA GLY A 73 -5.374 -15.777 2.281 1.00 3.15 C ATOM 1220 C GLY A 73 -6.261 -15.092 1.243 1.00 2.55 C ATOM 1221 O GLY A 73 -6.688 -15.695 0.278 1.00 2.83 O ATOM 0 H GLY A 73 -5.108 -17.358 0.868 1.00 2.75 H new ATOM 0 HA2 GLY A 73 -5.851 -15.745 3.260 1.00 3.15 H new ATOM 0 HA3 GLY A 73 -4.426 -15.247 2.371 1.00 3.15 H new ATOM 1225 N LYS A 74 -6.546 -13.832 1.435 1.00 2.13 N ATOM 1226 CA LYS A 74 -7.410 -13.098 0.465 1.00 1.96 C ATOM 1227 C LYS A 74 -6.533 -12.326 -0.518 1.00 1.78 C ATOM 1228 O LYS A 74 -5.545 -11.726 -0.145 1.00 2.25 O ATOM 1229 CB LYS A 74 -8.293 -12.108 1.220 1.00 2.32 C ATOM 1230 CG LYS A 74 -9.347 -12.862 2.039 1.00 2.88 C ATOM 1231 CD LYS A 74 -10.462 -11.892 2.468 1.00 3.39 C ATOM 1232 CE LYS A 74 -11.560 -11.826 1.393 1.00 4.03 C ATOM 1233 NZ LYS A 74 -12.572 -12.887 1.657 1.00 4.36 N ATOM 0 H LYS A 74 -6.216 -13.277 2.225 1.00 2.13 H new ATOM 0 HA LYS A 74 -8.030 -13.813 -0.076 1.00 1.96 H new ATOM 0 HB2 LYS A 74 -7.681 -11.492 1.879 1.00 2.32 H new ATOM 0 HB3 LYS A 74 -8.781 -11.434 0.516 1.00 2.32 H new ATOM 0 HG2 LYS A 74 -9.767 -13.676 1.448 1.00 2.88 H new ATOM 0 HG3 LYS A 74 -8.885 -13.312 2.918 1.00 2.88 H new ATOM 0 HD2 LYS A 74 -10.891 -12.218 3.415 1.00 3.39 H new ATOM 0 HD3 LYS A 74 -10.045 -10.898 2.632 1.00 3.39 H new ATOM 0 HE2 LYS A 74 -12.034 -10.845 1.401 1.00 4.03 H new ATOM 0 HE3 LYS A 74 -11.124 -11.961 0.403 1.00 4.03 H new ATOM 0 HZ1 LYS A 74 -13.316 -12.845 0.932 1.00 4.36 H new ATOM 0 HZ2 LYS A 74 -12.113 -13.820 1.628 1.00 4.36 H new ATOM 0 HZ3 LYS A 74 -12.995 -12.738 2.595 1.00 4.36 H new ATOM 1247 N GLY A 75 -6.900 -12.337 -1.771 1.00 1.86 N ATOM 1248 CA GLY A 75 -6.105 -11.603 -2.801 1.00 2.03 C ATOM 1249 C GLY A 75 -4.610 -11.821 -2.555 1.00 1.56 C ATOM 1250 O GLY A 75 -4.144 -12.939 -2.453 1.00 1.89 O ATOM 0 H GLY A 75 -7.721 -12.825 -2.129 1.00 1.86 H new ATOM 0 HA2 GLY A 75 -6.374 -11.953 -3.798 1.00 2.03 H new ATOM 0 HA3 GLY A 75 -6.338 -10.539 -2.763 1.00 2.03 H new ATOM 1254 N SER A 76 -3.864 -10.754 -2.443 1.00 1.22 N ATOM 1255 CA SER A 76 -2.396 -10.865 -2.182 1.00 0.88 C ATOM 1256 C SER A 76 -2.039 -9.950 -1.008 1.00 0.69 C ATOM 1257 O SER A 76 -2.522 -8.840 -0.910 1.00 0.93 O ATOM 1258 CB SER A 76 -1.628 -10.420 -3.429 1.00 1.12 C ATOM 1259 OG SER A 76 -1.914 -9.054 -3.694 1.00 1.80 O ATOM 0 H SER A 76 -4.212 -9.799 -2.522 1.00 1.22 H new ATOM 0 HA SER A 76 -2.132 -11.895 -1.944 1.00 0.88 H new ATOM 0 HB2 SER A 76 -0.557 -10.557 -3.279 1.00 1.12 H new ATOM 0 HB3 SER A 76 -1.911 -11.035 -4.283 1.00 1.12 H new ATOM 0 HG SER A 76 -2.297 -8.639 -2.893 1.00 1.80 H new ATOM 1265 N TYR A 77 -1.197 -10.398 -0.119 1.00 0.60 N ATOM 1266 CA TYR A 77 -0.821 -9.538 1.037 1.00 0.46 C ATOM 1267 C TYR A 77 -0.014 -8.342 0.524 1.00 0.38 C ATOM 1268 O TYR A 77 0.830 -8.478 -0.341 1.00 0.50 O ATOM 1269 CB TYR A 77 0.008 -10.359 2.030 1.00 0.65 C ATOM 1270 CG TYR A 77 -0.898 -11.330 2.753 1.00 0.53 C ATOM 1271 CD1 TYR A 77 -1.165 -12.587 2.199 1.00 1.23 C ATOM 1272 CD2 TYR A 77 -1.488 -10.963 3.969 1.00 1.39 C ATOM 1273 CE1 TYR A 77 -2.017 -13.479 2.865 1.00 1.32 C ATOM 1274 CE2 TYR A 77 -2.341 -11.852 4.631 1.00 1.38 C ATOM 1275 CZ TYR A 77 -2.605 -13.111 4.080 1.00 0.70 C ATOM 1276 OH TYR A 77 -3.444 -13.990 4.735 1.00 0.90 O ATOM 0 H TYR A 77 -0.755 -11.317 -0.142 1.00 0.60 H new ATOM 0 HA TYR A 77 -1.714 -9.174 1.544 1.00 0.46 H new ATOM 0 HB2 TYR A 77 0.795 -10.900 1.505 1.00 0.65 H new ATOM 0 HB3 TYR A 77 0.498 -9.699 2.746 1.00 0.65 H new ATOM 0 HD1 TYR A 77 -0.715 -12.870 1.259 1.00 1.23 H new ATOM 0 HD2 TYR A 77 -1.284 -9.992 4.396 1.00 1.39 H new ATOM 0 HE1 TYR A 77 -2.220 -14.451 2.440 1.00 1.32 H new ATOM 0 HE2 TYR A 77 -2.796 -11.567 5.568 1.00 1.38 H new ATOM 0 HH TYR A 77 -3.766 -13.579 5.564 1.00 0.90 H new ATOM 1286 N TRP A 78 -0.283 -7.166 1.037 1.00 0.32 N ATOM 1287 CA TRP A 78 0.444 -5.939 0.576 1.00 0.31 C ATOM 1288 C TRP A 78 1.181 -5.297 1.756 1.00 0.32 C ATOM 1289 O TRP A 78 0.669 -5.228 2.857 1.00 0.38 O ATOM 1290 CB TRP A 78 -0.571 -4.932 0.029 1.00 0.34 C ATOM 1291 CG TRP A 78 -1.146 -5.435 -1.257 1.00 0.34 C ATOM 1292 CD1 TRP A 78 -2.298 -6.135 -1.368 1.00 0.44 C ATOM 1293 CD2 TRP A 78 -0.625 -5.284 -2.610 1.00 0.32 C ATOM 1294 NE1 TRP A 78 -2.520 -6.423 -2.702 1.00 0.46 N ATOM 1295 CE2 TRP A 78 -1.517 -5.921 -3.508 1.00 0.38 C ATOM 1296 CE3 TRP A 78 0.519 -4.664 -3.141 1.00 0.37 C ATOM 1297 CZ2 TRP A 78 -1.280 -5.939 -4.884 1.00 0.43 C ATOM 1298 CZ3 TRP A 78 0.761 -4.682 -4.525 1.00 0.45 C ATOM 1299 CH2 TRP A 78 -0.136 -5.317 -5.392 1.00 0.46 C ATOM 0 H TRP A 78 -0.981 -7.001 1.762 1.00 0.32 H new ATOM 0 HA TRP A 78 1.160 -6.216 -0.197 1.00 0.31 H new ATOM 0 HB2 TRP A 78 -1.367 -4.774 0.756 1.00 0.34 H new ATOM 0 HB3 TRP A 78 -0.089 -3.967 -0.131 1.00 0.34 H new ATOM 0 HD1 TRP A 78 -2.940 -6.422 -0.548 1.00 0.44 H new ATOM 0 HE1 TRP A 78 -3.326 -6.943 -3.049 1.00 0.46 H new ATOM 0 HE3 TRP A 78 1.217 -4.170 -2.481 1.00 0.37 H new ATOM 0 HZ2 TRP A 78 -1.975 -6.429 -5.550 1.00 0.43 H new ATOM 0 HZ3 TRP A 78 1.644 -4.203 -4.922 1.00 0.45 H new ATOM 0 HH2 TRP A 78 0.056 -5.326 -6.455 1.00 0.46 H new ATOM 1310 N THR A 79 2.376 -4.819 1.534 1.00 0.33 N ATOM 1311 CA THR A 79 3.140 -4.171 2.641 1.00 0.37 C ATOM 1312 C THR A 79 4.126 -3.151 2.066 1.00 0.40 C ATOM 1313 O THR A 79 4.585 -3.276 0.948 1.00 0.45 O ATOM 1314 CB THR A 79 3.912 -5.238 3.418 1.00 0.49 C ATOM 1315 OG1 THR A 79 4.508 -4.645 4.564 1.00 0.55 O ATOM 1316 CG2 THR A 79 5.002 -5.844 2.531 1.00 0.56 C ATOM 0 H THR A 79 2.857 -4.849 0.635 1.00 0.33 H new ATOM 0 HA THR A 79 2.443 -3.662 3.307 1.00 0.37 H new ATOM 0 HB THR A 79 3.225 -6.026 3.726 1.00 0.49 H new ATOM 0 HG1 THR A 79 5.002 -5.327 5.065 1.00 0.55 H new ATOM 0 HG21 THR A 79 5.547 -6.603 3.092 1.00 0.56 H new ATOM 0 HG22 THR A 79 4.545 -6.300 1.653 1.00 0.56 H new ATOM 0 HG23 THR A 79 5.691 -5.061 2.215 1.00 0.56 H new ATOM 1324 N LEU A 80 4.465 -2.152 2.834 1.00 0.45 N ATOM 1325 CA LEU A 80 5.434 -1.127 2.354 1.00 0.53 C ATOM 1326 C LEU A 80 6.838 -1.731 2.388 1.00 0.74 C ATOM 1327 O LEU A 80 7.054 -2.851 1.968 1.00 1.42 O ATOM 1328 CB LEU A 80 5.385 0.089 3.285 1.00 0.54 C ATOM 1329 CG LEU A 80 3.951 0.620 3.387 1.00 0.63 C ATOM 1330 CD1 LEU A 80 3.930 1.828 4.328 1.00 0.86 C ATOM 1331 CD2 LEU A 80 3.448 1.042 1.999 1.00 0.81 C ATOM 0 H LEU A 80 4.110 -2.001 3.778 1.00 0.45 H new ATOM 0 HA LEU A 80 5.182 -0.819 1.339 1.00 0.53 H new ATOM 0 HB2 LEU A 80 5.750 -0.187 4.275 1.00 0.54 H new ATOM 0 HB3 LEU A 80 6.044 0.871 2.909 1.00 0.54 H new ATOM 0 HG LEU A 80 3.301 -0.164 3.776 1.00 0.63 H new ATOM 0 HD11 LEU A 80 2.913 2.211 4.405 1.00 0.86 H new ATOM 0 HD12 LEU A 80 4.280 1.526 5.315 1.00 0.86 H new ATOM 0 HD13 LEU A 80 4.582 2.607 3.934 1.00 0.86 H new ATOM 0 HD21 LEU A 80 2.428 1.418 2.080 1.00 0.81 H new ATOM 0 HD22 LEU A 80 4.093 1.825 1.601 1.00 0.81 H new ATOM 0 HD23 LEU A 80 3.465 0.182 1.329 1.00 0.81 H new ATOM 1343 N ASP A 81 7.791 -1.005 2.907 1.00 1.02 N ATOM 1344 CA ASP A 81 9.189 -1.528 3.002 1.00 1.23 C ATOM 1345 C ASP A 81 9.785 -1.107 4.349 1.00 1.68 C ATOM 1346 O ASP A 81 10.654 -0.259 4.408 1.00 2.48 O ATOM 1347 CB ASP A 81 10.031 -0.942 1.867 1.00 2.21 C ATOM 1348 CG ASP A 81 11.455 -1.494 1.945 1.00 3.06 C ATOM 1349 OD1 ASP A 81 11.644 -2.503 2.605 1.00 3.72 O ATOM 1350 OD2 ASP A 81 12.332 -0.897 1.343 1.00 3.59 O ATOM 0 H ASP A 81 7.661 -0.062 3.274 1.00 1.02 H new ATOM 0 HA ASP A 81 9.184 -2.615 2.922 1.00 1.23 H new ATOM 0 HB2 ASP A 81 9.586 -1.192 0.904 1.00 2.21 H new ATOM 0 HB3 ASP A 81 10.048 0.146 1.937 1.00 2.21 H new ATOM 1355 N PRO A 82 9.315 -1.687 5.427 1.00 1.94 N ATOM 1356 CA PRO A 82 9.800 -1.361 6.799 1.00 2.93 C ATOM 1357 C PRO A 82 11.181 -1.969 7.085 1.00 3.37 C ATOM 1358 O PRO A 82 12.016 -2.092 6.210 1.00 3.55 O ATOM 1359 CB PRO A 82 8.716 -1.960 7.731 1.00 3.39 C ATOM 1360 CG PRO A 82 7.620 -2.454 6.833 1.00 3.08 C ATOM 1361 CD PRO A 82 8.269 -2.716 5.479 1.00 2.16 C ATOM 0 HA PRO A 82 9.934 -0.289 6.941 1.00 2.93 H new ATOM 0 HB2 PRO A 82 9.124 -2.773 8.331 1.00 3.39 H new ATOM 0 HB3 PRO A 82 8.341 -1.208 8.426 1.00 3.39 H new ATOM 0 HG2 PRO A 82 7.169 -3.363 7.232 1.00 3.08 H new ATOM 0 HG3 PRO A 82 6.824 -1.715 6.747 1.00 3.08 H new ATOM 0 HD2 PRO A 82 8.685 -3.722 5.415 1.00 2.16 H new ATOM 0 HD3 PRO A 82 7.557 -2.613 4.660 1.00 2.16 H new ATOM 1369 N ASP A 83 11.412 -2.363 8.307 1.00 3.97 N ATOM 1370 CA ASP A 83 12.711 -2.979 8.682 1.00 4.69 C ATOM 1371 C ASP A 83 12.756 -4.384 8.093 1.00 4.54 C ATOM 1372 O ASP A 83 12.599 -5.374 8.780 1.00 5.25 O ATOM 1373 CB ASP A 83 12.818 -3.045 10.206 1.00 5.64 C ATOM 1374 CG ASP A 83 11.575 -3.731 10.774 1.00 6.30 C ATOM 1375 OD1 ASP A 83 10.651 -3.963 10.012 1.00 6.82 O ATOM 1376 OD2 ASP A 83 11.566 -4.011 11.961 1.00 6.58 O ATOM 0 H ASP A 83 10.743 -2.282 9.072 1.00 3.97 H new ATOM 0 HA ASP A 83 13.543 -2.388 8.298 1.00 4.69 H new ATOM 0 HB2 ASP A 83 13.714 -3.594 10.495 1.00 5.64 H new ATOM 0 HB3 ASP A 83 12.913 -2.041 10.619 1.00 5.64 H new ATOM 1381 N SER A 84 12.952 -4.463 6.811 1.00 3.92 N ATOM 1382 CA SER A 84 12.993 -5.779 6.122 1.00 4.33 C ATOM 1383 C SER A 84 13.954 -6.727 6.842 1.00 5.33 C ATOM 1384 O SER A 84 14.020 -7.900 6.543 1.00 6.00 O ATOM 1385 CB SER A 84 13.453 -5.534 4.688 1.00 4.14 C ATOM 1386 OG SER A 84 14.872 -5.565 4.634 1.00 4.59 O ATOM 0 H SER A 84 13.088 -3.658 6.200 1.00 3.92 H new ATOM 0 HA SER A 84 12.008 -6.245 6.128 1.00 4.33 H new ATOM 0 HB2 SER A 84 13.037 -6.294 4.026 1.00 4.14 H new ATOM 0 HB3 SER A 84 13.086 -4.570 4.337 1.00 4.14 H new ATOM 0 HG SER A 84 15.192 -4.866 4.026 1.00 4.59 H new ATOM 1392 N TYR A 85 14.685 -6.243 7.806 1.00 5.76 N ATOM 1393 CA TYR A 85 15.611 -7.139 8.554 1.00 6.92 C ATOM 1394 C TYR A 85 14.809 -8.246 9.246 1.00 7.49 C ATOM 1395 O TYR A 85 15.242 -9.377 9.337 1.00 8.23 O ATOM 1396 CB TYR A 85 16.386 -6.335 9.599 1.00 7.50 C ATOM 1397 CG TYR A 85 17.314 -7.259 10.353 1.00 8.21 C ATOM 1398 CD1 TYR A 85 18.616 -7.478 9.889 1.00 8.68 C ATOM 1399 CD2 TYR A 85 16.871 -7.893 11.520 1.00 8.68 C ATOM 1400 CE1 TYR A 85 19.475 -8.334 10.591 1.00 9.57 C ATOM 1401 CE2 TYR A 85 17.729 -8.748 12.222 1.00 9.56 C ATOM 1402 CZ TYR A 85 19.031 -8.969 11.758 1.00 9.97 C ATOM 1403 OH TYR A 85 19.877 -9.812 12.450 1.00 11.00 O ATOM 0 H TYR A 85 14.682 -5.269 8.108 1.00 5.76 H new ATOM 0 HA TYR A 85 16.317 -7.586 7.854 1.00 6.92 H new ATOM 0 HB2 TYR A 85 16.957 -5.543 9.115 1.00 7.50 H new ATOM 0 HB3 TYR A 85 15.694 -5.853 10.290 1.00 7.50 H new ATOM 0 HD1 TYR A 85 18.959 -6.987 8.990 1.00 8.68 H new ATOM 0 HD2 TYR A 85 15.867 -7.722 11.879 1.00 8.68 H new ATOM 0 HE1 TYR A 85 20.479 -8.504 10.232 1.00 9.57 H new ATOM 0 HE2 TYR A 85 17.386 -9.237 13.122 1.00 9.56 H new ATOM 0 HH TYR A 85 19.413 -10.169 13.236 1.00 11.00 H new ATOM 1413 N ASN A 86 13.652 -7.918 9.757 1.00 7.43 N ATOM 1414 CA ASN A 86 12.828 -8.934 10.472 1.00 8.27 C ATOM 1415 C ASN A 86 12.270 -9.963 9.492 1.00 8.09 C ATOM 1416 O ASN A 86 11.844 -11.033 9.878 1.00 8.83 O ATOM 1417 CB ASN A 86 11.671 -8.240 11.193 1.00 8.92 C ATOM 1418 CG ASN A 86 12.216 -7.426 12.368 1.00 9.54 C ATOM 1419 OD1 ASN A 86 11.868 -6.273 12.536 1.00 9.83 O ATOM 1420 ND2 ASN A 86 13.059 -7.978 13.195 1.00 10.00 N ATOM 0 H ASN A 86 13.241 -6.986 9.709 1.00 7.43 H new ATOM 0 HA ASN A 86 13.461 -9.447 11.196 1.00 8.27 H new ATOM 0 HB2 ASN A 86 11.137 -7.588 10.502 1.00 8.92 H new ATOM 0 HB3 ASN A 86 10.955 -8.980 11.551 1.00 8.92 H new ATOM 0 HD21 ASN A 86 13.426 -7.443 13.982 1.00 10.00 H new ATOM 0 HD22 ASN A 86 13.352 -8.945 13.055 1.00 10.00 H new ATOM 1427 N MET A 87 12.265 -9.649 8.235 1.00 7.32 N ATOM 1428 CA MET A 87 11.728 -10.620 7.240 1.00 7.47 C ATOM 1429 C MET A 87 12.559 -11.905 7.300 1.00 8.26 C ATOM 1430 O MET A 87 13.161 -12.211 8.310 1.00 8.47 O ATOM 1431 CB MET A 87 11.769 -10.011 5.835 1.00 6.75 C ATOM 1432 CG MET A 87 10.707 -8.916 5.730 1.00 6.65 C ATOM 1433 SD MET A 87 10.852 -8.082 4.130 1.00 7.12 S ATOM 1434 CE MET A 87 9.585 -6.820 4.416 1.00 7.20 C ATOM 0 H MET A 87 12.606 -8.769 7.849 1.00 7.32 H new ATOM 0 HA MET A 87 10.690 -10.855 7.475 1.00 7.47 H new ATOM 0 HB2 MET A 87 12.757 -9.596 5.634 1.00 6.75 H new ATOM 0 HB3 MET A 87 11.589 -10.782 5.086 1.00 6.75 H new ATOM 0 HG2 MET A 87 9.712 -9.348 5.837 1.00 6.65 H new ATOM 0 HG3 MET A 87 10.831 -8.196 6.539 1.00 6.65 H new ATOM 0 HE1 MET A 87 9.186 -6.481 3.460 1.00 7.20 H new ATOM 0 HE2 MET A 87 8.779 -7.243 5.016 1.00 7.20 H new ATOM 0 HE3 MET A 87 10.026 -5.975 4.945 1.00 7.20 H new ATOM 1444 N PHE A 88 12.593 -12.671 6.244 1.00 8.91 N ATOM 1445 CA PHE A 88 13.373 -13.932 6.269 1.00 9.87 C ATOM 1446 C PHE A 88 14.867 -13.608 6.285 1.00 10.04 C ATOM 1447 O PHE A 88 15.290 -12.594 6.804 1.00 10.49 O ATOM 1448 CB PHE A 88 13.032 -14.758 5.028 1.00 10.68 C ATOM 1449 CG PHE A 88 11.537 -14.962 4.963 1.00 10.96 C ATOM 1450 CD1 PHE A 88 10.940 -16.012 5.671 1.00 11.40 C ATOM 1451 CD2 PHE A 88 10.747 -14.095 4.199 1.00 11.04 C ATOM 1452 CE1 PHE A 88 9.553 -16.196 5.612 1.00 11.89 C ATOM 1453 CE2 PHE A 88 9.359 -14.278 4.142 1.00 11.55 C ATOM 1454 CZ PHE A 88 8.763 -15.330 4.848 1.00 11.97 C ATOM 0 H PHE A 88 12.113 -12.474 5.366 1.00 8.91 H new ATOM 0 HA PHE A 88 13.123 -14.503 7.163 1.00 9.87 H new ATOM 0 HB2 PHE A 88 13.381 -14.248 4.130 1.00 10.68 H new ATOM 0 HB3 PHE A 88 13.541 -15.721 5.066 1.00 10.68 H new ATOM 0 HD1 PHE A 88 11.549 -16.680 6.262 1.00 11.40 H new ATOM 0 HD2 PHE A 88 11.208 -13.285 3.653 1.00 11.04 H new ATOM 0 HE1 PHE A 88 9.093 -17.007 6.157 1.00 11.89 H new ATOM 0 HE2 PHE A 88 8.749 -13.608 3.554 1.00 11.55 H new ATOM 0 HZ PHE A 88 7.693 -15.473 4.803 1.00 11.97 H new ATOM 1464 N GLU A 89 15.659 -14.475 5.723 1.00 9.91 N ATOM 1465 CA GLU A 89 17.142 -14.264 5.691 1.00 10.34 C ATOM 1466 C GLU A 89 17.591 -13.954 4.262 1.00 10.29 C ATOM 1467 O GLU A 89 18.760 -14.023 3.940 1.00 10.13 O ATOM 1468 CB GLU A 89 17.845 -15.536 6.168 1.00 10.80 C ATOM 1469 CG GLU A 89 17.600 -15.730 7.665 1.00 11.18 C ATOM 1470 CD GLU A 89 18.365 -14.661 8.449 1.00 11.50 C ATOM 1471 OE1 GLU A 89 19.224 -14.025 7.862 1.00 11.46 O ATOM 1472 OE2 GLU A 89 18.081 -14.502 9.624 1.00 11.95 O ATOM 0 H GLU A 89 15.342 -15.336 5.276 1.00 9.91 H new ATOM 0 HA GLU A 89 17.399 -13.429 6.343 1.00 10.34 H new ATOM 0 HB2 GLU A 89 17.473 -16.398 5.614 1.00 10.80 H new ATOM 0 HB3 GLU A 89 18.915 -15.468 5.971 1.00 10.80 H new ATOM 0 HG2 GLU A 89 16.534 -15.662 7.882 1.00 11.18 H new ATOM 0 HG3 GLU A 89 17.925 -16.724 7.972 1.00 11.18 H new ATOM 1479 N ASN A 90 16.671 -13.620 3.402 1.00 10.66 N ATOM 1480 CA ASN A 90 17.044 -13.312 1.990 1.00 10.92 C ATOM 1481 C ASN A 90 16.015 -12.357 1.384 1.00 10.88 C ATOM 1482 O ASN A 90 14.864 -12.340 1.772 1.00 11.22 O ATOM 1483 CB ASN A 90 17.073 -14.609 1.179 1.00 11.73 C ATOM 1484 CG ASN A 90 17.675 -14.338 -0.201 1.00 12.01 C ATOM 1485 OD1 ASN A 90 16.968 -14.313 -1.190 1.00 12.15 O ATOM 1486 ND2 ASN A 90 18.959 -14.137 -0.313 1.00 12.32 N ATOM 0 H ASN A 90 15.676 -13.546 3.614 1.00 10.66 H new ATOM 0 HA ASN A 90 18.028 -12.844 1.969 1.00 10.92 H new ATOM 0 HB2 ASN A 90 17.661 -15.363 1.702 1.00 11.73 H new ATOM 0 HB3 ASN A 90 16.064 -15.007 1.075 1.00 11.73 H new ATOM 0 HD21 ASN A 90 19.369 -13.959 -1.230 1.00 12.32 H new ATOM 0 HD22 ASN A 90 19.553 -14.158 0.516 1.00 12.32 H new ATOM 1493 N GLY A 91 16.421 -11.562 0.431 1.00 10.70 N ATOM 1494 CA GLY A 91 15.466 -10.611 -0.201 1.00 10.95 C ATOM 1495 C GLY A 91 15.226 -9.427 0.737 1.00 10.92 C ATOM 1496 O GLY A 91 14.230 -8.738 0.641 1.00 11.16 O ATOM 0 H GLY A 91 17.372 -11.531 0.064 1.00 10.70 H new ATOM 0 HA2 GLY A 91 15.864 -10.259 -1.153 1.00 10.95 H new ATOM 0 HA3 GLY A 91 14.524 -11.115 -0.416 1.00 10.95 H new ATOM 1500 N SER A 92 16.134 -9.185 1.643 1.00 10.86 N ATOM 1501 CA SER A 92 15.971 -8.048 2.588 1.00 11.09 C ATOM 1502 C SER A 92 16.543 -6.789 1.945 1.00 10.83 C ATOM 1503 O SER A 92 17.740 -6.600 1.867 1.00 11.37 O ATOM 1504 CB SER A 92 16.727 -8.347 3.883 1.00 11.62 C ATOM 1505 OG SER A 92 16.472 -7.313 4.824 1.00 11.80 O ATOM 0 H SER A 92 16.987 -9.731 1.768 1.00 10.86 H new ATOM 0 HA SER A 92 14.915 -7.903 2.815 1.00 11.09 H new ATOM 0 HB2 SER A 92 16.412 -9.309 4.288 1.00 11.62 H new ATOM 0 HB3 SER A 92 17.796 -8.419 3.685 1.00 11.62 H new ATOM 0 HG SER A 92 15.652 -6.839 4.575 1.00 11.80 H new ATOM 1511 N PHE A 93 15.686 -5.930 1.481 1.00 10.20 N ATOM 1512 CA PHE A 93 16.156 -4.673 0.832 1.00 10.20 C ATOM 1513 C PHE A 93 17.010 -3.884 1.828 1.00 10.57 C ATOM 1514 O PHE A 93 16.638 -3.706 2.971 1.00 10.63 O ATOM 1515 CB PHE A 93 14.946 -3.829 0.424 1.00 9.65 C ATOM 1516 CG PHE A 93 15.403 -2.652 -0.404 1.00 9.86 C ATOM 1517 CD1 PHE A 93 15.764 -1.454 0.221 1.00 10.01 C ATOM 1518 CD2 PHE A 93 15.467 -2.760 -1.799 1.00 10.19 C ATOM 1519 CE1 PHE A 93 16.189 -0.363 -0.546 1.00 10.47 C ATOM 1520 CE2 PHE A 93 15.892 -1.670 -2.567 1.00 10.65 C ATOM 1521 CZ PHE A 93 16.254 -0.471 -1.940 1.00 10.78 C ATOM 0 H PHE A 93 14.673 -6.042 1.522 1.00 10.20 H new ATOM 0 HA PHE A 93 16.747 -4.914 -0.052 1.00 10.20 H new ATOM 0 HB2 PHE A 93 14.243 -4.436 -0.146 1.00 9.65 H new ATOM 0 HB3 PHE A 93 14.419 -3.479 1.311 1.00 9.65 H new ATOM 0 HD1 PHE A 93 15.715 -1.371 1.297 1.00 10.01 H new ATOM 0 HD2 PHE A 93 15.188 -3.685 -2.282 1.00 10.19 H new ATOM 0 HE1 PHE A 93 16.467 0.562 -0.062 1.00 10.47 H new ATOM 0 HE2 PHE A 93 15.941 -1.753 -3.643 1.00 10.65 H new ATOM 0 HZ PHE A 93 16.583 0.370 -2.532 1.00 10.78 H new ATOM 1531 N LEU A 94 18.156 -3.417 1.400 1.00 11.03 N ATOM 1532 CA LEU A 94 19.059 -2.643 2.308 1.00 11.62 C ATOM 1533 C LEU A 94 19.113 -1.181 1.860 1.00 11.71 C ATOM 1534 O LEU A 94 19.056 -0.878 0.684 1.00 11.98 O ATOM 1535 CB LEU A 94 20.473 -3.226 2.234 1.00 12.28 C ATOM 1536 CG LEU A 94 20.472 -4.686 2.704 1.00 12.70 C ATOM 1537 CD1 LEU A 94 21.805 -5.335 2.322 1.00 13.06 C ATOM 1538 CD2 LEU A 94 20.293 -4.757 4.228 1.00 13.12 C ATOM 0 H LEU A 94 18.508 -3.540 0.451 1.00 11.03 H new ATOM 0 HA LEU A 94 18.677 -2.705 3.327 1.00 11.62 H new ATOM 0 HB2 LEU A 94 20.845 -3.166 1.211 1.00 12.28 H new ATOM 0 HB3 LEU A 94 21.149 -2.638 2.854 1.00 12.28 H new ATOM 0 HG LEU A 94 19.646 -5.213 2.227 1.00 12.70 H new ATOM 0 HD11 LEU A 94 21.812 -6.374 2.653 1.00 13.06 H new ATOM 0 HD12 LEU A 94 21.931 -5.298 1.240 1.00 13.06 H new ATOM 0 HD13 LEU A 94 22.623 -4.796 2.801 1.00 13.06 H new ATOM 0 HD21 LEU A 94 20.294 -5.799 4.546 1.00 13.12 H new ATOM 0 HD22 LEU A 94 21.112 -4.228 4.716 1.00 13.12 H new ATOM 0 HD23 LEU A 94 19.346 -4.294 4.505 1.00 13.12 H new TER 1550 LEU A 94