USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 862 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: B 28 ASN : amide:sc= -0.832 K(o=2.4,f=-4.5!) USER MOD Set 1.2: B 32 SER OG : rot 72:sc= 1.84 USER MOD Set 1.3: B 78 HIS : +bothHN:sc= 1.41 K(o=2.4,f=-11!) USER MOD Set 2.1: A 53 CYS SG : rot 119:sc= -2.1! USER MOD Set 2.2: B 46 SER OG : rot -74:sc= 1.34 USER MOD Set 3.1: A 46 SER OG : rot -75:sc= 1.36 USER MOD Set 3.2: B 53 CYS SG : rot 119:sc= -2.16! USER MOD Set 4.1: A 28 ASN : amide:sc= -0.833 K(o=2.3,f=-4.6!) USER MOD Set 4.2: A 32 SER OG : rot 71:sc= 1.79 USER MOD Set 4.3: A 78 HIS : +bothHN:sc= 1.36 K(o=2.3,f=-11!) USER MOD Single : A 18 SER OG : rot 91:sc= 1.3 USER MOD Single : A 19 LYS NZ :NH3+ -165:sc= -0.049 (180deg=-0.256) USER MOD Single : A 29 TYR OH : rot 0:sc= -0.981 USER MOD Single : A 31 SER OG : rot -82:sc= 1.09 USER MOD Single : A 36 LYS NZ :NH3+ -153:sc= 0.721 (180deg=0.337) USER MOD Single : A 37 LYS NZ :NH3+ 163:sc= -0.0718 (180deg=-0.371) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.56! X(o=-1.6!,f=-1.2) USER MOD Single : A 51 MET CE :methyl 152:sc= -3.94! (180deg=-5.18!) USER MOD Single : A 55 SER OG : rot 67:sc= 1.26 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -163:sc= 1.23 (180deg=1.07) USER MOD Single : A 72 SER OG : rot -81:sc= 0.114 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 85 SER OG : rot 75:sc= 1.22 USER MOD Single : B 18 SER OG : rot 92:sc= 1.28 USER MOD Single : B 19 LYS NZ :NH3+ -166:sc= -0.0172 (180deg=-0.234) USER MOD Single : B 29 TYR OH : rot 15:sc= -0.928 USER MOD Single : B 31 SER OG : rot -82:sc= 1.07 USER MOD Single : B 36 LYS NZ :NH3+ -155:sc= 0.751 (180deg=0.375) USER MOD Single : B 37 LYS NZ :NH3+ 163:sc= -0.07 (180deg=-0.399) USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 48 ASN : amide:sc= -1.52 X(o=-1.5,f=-1.2) USER MOD Single : B 51 MET CE :methyl 151:sc= -3.95! (180deg=-5.22!) USER MOD Single : B 55 SER OG : rot 76:sc= 1.24 USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 71 LYS NZ :NH3+ -161:sc= 1.22 (180deg=1.16) USER MOD Single : B 72 SER OG : rot -79:sc= 0.0825 USER MOD Single : B 84 ASN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : B 85 SER OG : rot 75:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 48 N ALA A 17 -8.221 -8.599 6.770 1.00 0.93 N ATOM 49 CA ALA A 17 -7.027 -8.049 6.131 1.00 0.81 C ATOM 50 C ALA A 17 -5.855 -7.972 7.106 1.00 0.69 C ATOM 51 O ALA A 17 -5.615 -6.940 7.729 1.00 0.70 O ATOM 52 CB ALA A 17 -7.314 -6.681 5.520 1.00 1.09 C ATOM 0 HA ALA A 17 -6.745 -8.729 5.327 1.00 0.81 H new ATOM 0 HB1 ALA A 17 -6.409 -6.295 5.051 1.00 1.09 H new ATOM 0 HB2 ALA A 17 -8.099 -6.775 4.770 1.00 1.09 H new ATOM 0 HB3 ALA A 17 -7.639 -5.994 6.302 1.00 1.09 H new ATOM 58 N SER A 18 -5.134 -9.077 7.238 1.00 0.64 N ATOM 59 CA SER A 18 -3.961 -9.123 8.097 1.00 0.61 C ATOM 60 C SER A 18 -2.787 -8.410 7.426 1.00 0.50 C ATOM 61 O SER A 18 -2.906 -7.947 6.288 1.00 0.45 O ATOM 62 CB SER A 18 -3.595 -10.575 8.397 1.00 0.66 C ATOM 63 OG SER A 18 -4.750 -11.332 8.719 1.00 1.32 O ATOM 0 H SER A 18 -5.342 -9.954 6.760 1.00 0.64 H new ATOM 0 HA SER A 18 -4.187 -8.614 9.034 1.00 0.61 H new ATOM 0 HB2 SER A 18 -3.097 -11.014 7.533 1.00 0.66 H new ATOM 0 HB3 SER A 18 -2.888 -10.612 9.226 1.00 0.66 H new ATOM 0 HG SER A 18 -5.117 -11.732 7.903 1.00 1.32 H new ATOM 69 N LYS A 19 -1.653 -8.337 8.116 1.00 0.50 N ATOM 70 CA LYS A 19 -0.493 -7.609 7.607 1.00 0.43 C ATOM 71 C LYS A 19 -0.067 -8.114 6.223 1.00 0.34 C ATOM 72 O LYS A 19 0.163 -7.318 5.313 1.00 0.28 O ATOM 73 CB LYS A 19 0.676 -7.692 8.600 1.00 0.54 C ATOM 74 CG LYS A 19 1.087 -9.111 8.959 1.00 0.84 C ATOM 75 CD LYS A 19 2.253 -9.131 9.933 1.00 1.12 C ATOM 76 CE LYS A 19 2.614 -10.554 10.335 1.00 1.73 C ATOM 77 NZ LYS A 19 1.504 -11.232 11.061 1.00 2.10 N ATOM 0 H LYS A 19 -1.511 -8.772 9.028 1.00 0.50 H new ATOM 0 HA LYS A 19 -0.783 -6.564 7.497 1.00 0.43 H new ATOM 0 HB2 LYS A 19 1.536 -7.172 8.177 1.00 0.54 H new ATOM 0 HB3 LYS A 19 0.402 -7.163 9.513 1.00 0.54 H new ATOM 0 HG2 LYS A 19 0.238 -9.635 9.397 1.00 0.84 H new ATOM 0 HG3 LYS A 19 1.361 -9.650 8.052 1.00 0.84 H new ATOM 0 HD2 LYS A 19 3.118 -8.649 9.478 1.00 1.12 H new ATOM 0 HD3 LYS A 19 1.997 -8.554 10.821 1.00 1.12 H new ATOM 0 HE2 LYS A 19 2.867 -11.128 9.444 1.00 1.73 H new ATOM 0 HE3 LYS A 19 3.502 -10.537 10.967 1.00 1.73 H new ATOM 0 HZ1 LYS A 19 1.867 -12.085 11.533 1.00 2.10 H new ATOM 0 HZ2 LYS A 19 1.108 -10.585 11.772 1.00 2.10 H new ATOM 0 HZ3 LYS A 19 0.760 -11.501 10.385 1.00 2.10 H new ATOM 91 N GLU A 20 0.006 -9.435 6.060 1.00 0.41 N ATOM 92 CA GLU A 20 0.450 -10.023 4.797 1.00 0.41 C ATOM 93 C GLU A 20 -0.557 -9.747 3.682 1.00 0.34 C ATOM 94 O GLU A 20 -0.178 -9.516 2.535 1.00 0.30 O ATOM 95 CB GLU A 20 0.670 -11.533 4.950 1.00 0.57 C ATOM 96 CG GLU A 20 -0.586 -12.309 5.321 1.00 0.64 C ATOM 97 CD GLU A 20 -0.350 -13.801 5.396 1.00 0.95 C ATOM 98 OE1 GLU A 20 0.042 -14.292 6.476 1.00 1.57 O ATOM 99 OE2 GLU A 20 -0.563 -14.495 4.380 1.00 1.49 O ATOM 0 H GLU A 20 -0.235 -10.114 6.782 1.00 0.41 H new ATOM 0 HA GLU A 20 1.398 -9.558 4.527 1.00 0.41 H new ATOM 0 HB2 GLU A 20 1.066 -11.928 4.014 1.00 0.57 H new ATOM 0 HB3 GLU A 20 1.429 -11.703 5.714 1.00 0.57 H new ATOM 0 HG2 GLU A 20 -0.956 -11.955 6.283 1.00 0.64 H new ATOM 0 HG3 GLU A 20 -1.364 -12.105 4.586 1.00 0.64 H new ATOM 106 N GLU A 21 -1.836 -9.754 4.037 1.00 0.37 N ATOM 107 CA GLU A 21 -2.912 -9.535 3.079 1.00 0.39 C ATOM 108 C GLU A 21 -2.835 -8.130 2.500 1.00 0.32 C ATOM 109 O GLU A 21 -2.998 -7.926 1.297 1.00 0.34 O ATOM 110 CB GLU A 21 -4.258 -9.751 3.766 1.00 0.50 C ATOM 111 CG GLU A 21 -4.465 -11.176 4.258 1.00 0.61 C ATOM 112 CD GLU A 21 -5.735 -11.338 5.069 1.00 0.91 C ATOM 113 OE1 GLU A 21 -6.829 -11.121 4.523 1.00 1.54 O ATOM 114 OE2 GLU A 21 -5.639 -11.666 6.270 1.00 1.49 O ATOM 0 H GLU A 21 -2.155 -9.911 4.993 1.00 0.37 H new ATOM 0 HA GLU A 21 -2.808 -10.247 2.260 1.00 0.39 H new ATOM 0 HB2 GLU A 21 -4.340 -9.068 4.611 1.00 0.50 H new ATOM 0 HB3 GLU A 21 -5.057 -9.495 3.071 1.00 0.50 H new ATOM 0 HG2 GLU A 21 -4.497 -11.850 3.402 1.00 0.61 H new ATOM 0 HG3 GLU A 21 -3.611 -11.473 4.866 1.00 0.61 H new ATOM 121 N ILE A 22 -2.572 -7.169 3.369 1.00 0.30 N ATOM 122 CA ILE A 22 -2.429 -5.782 2.963 1.00 0.28 C ATOM 123 C ILE A 22 -1.161 -5.595 2.140 1.00 0.24 C ATOM 124 O ILE A 22 -1.184 -4.967 1.081 1.00 0.26 O ATOM 125 CB ILE A 22 -2.398 -4.862 4.195 1.00 0.30 C ATOM 126 CG1 ILE A 22 -3.703 -5.020 4.976 1.00 0.36 C ATOM 127 CG2 ILE A 22 -2.179 -3.408 3.783 1.00 0.31 C ATOM 128 CD1 ILE A 22 -3.673 -4.393 6.347 1.00 0.44 C ATOM 0 H ILE A 22 -2.452 -7.327 4.370 1.00 0.30 H new ATOM 0 HA ILE A 22 -3.288 -5.515 2.347 1.00 0.28 H new ATOM 0 HB ILE A 22 -1.564 -5.148 4.835 1.00 0.30 H new ATOM 0 HG12 ILE A 22 -4.515 -4.575 4.401 1.00 0.36 H new ATOM 0 HG13 ILE A 22 -3.928 -6.082 5.077 1.00 0.36 H new ATOM 0 HG21 ILE A 22 -2.161 -2.777 4.671 1.00 0.31 H new ATOM 0 HG22 ILE A 22 -1.230 -3.319 3.255 1.00 0.31 H new ATOM 0 HG23 ILE A 22 -2.990 -3.089 3.128 1.00 0.31 H new ATOM 0 HD11 ILE A 22 -4.634 -4.547 6.838 1.00 0.44 H new ATOM 0 HD12 ILE A 22 -2.884 -4.854 6.941 1.00 0.44 H new ATOM 0 HD13 ILE A 22 -3.480 -3.324 6.254 1.00 0.44 H new ATOM 135 N ALA A 23 -0.063 -6.167 2.624 1.00 0.20 N ATOM 136 CA ALA A 23 1.219 -6.083 1.934 1.00 0.19 C ATOM 137 C ALA A 23 1.123 -6.667 0.532 1.00 0.20 C ATOM 138 O ALA A 23 1.758 -6.172 -0.402 1.00 0.20 O ATOM 139 CB ALA A 23 2.292 -6.802 2.729 1.00 0.20 C ATOM 0 H ALA A 23 -0.036 -6.696 3.496 1.00 0.20 H new ATOM 0 HA ALA A 23 1.489 -5.031 1.847 1.00 0.19 H new ATOM 0 HB1 ALA A 23 3.244 -6.731 2.202 1.00 0.20 H new ATOM 0 HB2 ALA A 23 2.386 -6.341 3.712 1.00 0.20 H new ATOM 0 HB3 ALA A 23 2.018 -7.851 2.844 1.00 0.20 H new ATOM 145 N ALA A 24 0.321 -7.717 0.397 1.00 0.22 N ATOM 146 CA ALA A 24 0.084 -8.350 -0.890 1.00 0.25 C ATOM 147 C ALA A 24 -0.451 -7.341 -1.898 1.00 0.24 C ATOM 148 O ALA A 24 0.044 -7.253 -3.018 1.00 0.25 O ATOM 149 CB ALA A 24 -0.885 -9.509 -0.734 1.00 0.31 C ATOM 0 H ALA A 24 -0.180 -8.150 1.173 1.00 0.22 H new ATOM 0 HA ALA A 24 1.033 -8.734 -1.265 1.00 0.25 H new ATOM 0 HB1 ALA A 24 -1.054 -9.975 -1.705 1.00 0.31 H new ATOM 0 HB2 ALA A 24 -0.466 -10.244 -0.047 1.00 0.31 H new ATOM 0 HB3 ALA A 24 -1.832 -9.141 -0.338 1.00 0.31 H new ATOM 155 N LEU A 25 -1.445 -6.563 -1.489 1.00 0.23 N ATOM 156 CA LEU A 25 -2.020 -5.550 -2.363 1.00 0.23 C ATOM 157 C LEU A 25 -1.050 -4.397 -2.587 1.00 0.22 C ATOM 158 O LEU A 25 -1.038 -3.784 -3.657 1.00 0.25 O ATOM 159 CB LEU A 25 -3.331 -5.018 -1.791 1.00 0.26 C ATOM 160 CG LEU A 25 -4.549 -5.918 -1.993 1.00 0.36 C ATOM 161 CD1 LEU A 25 -5.787 -5.249 -1.424 1.00 0.46 C ATOM 162 CD2 LEU A 25 -4.749 -6.234 -3.470 1.00 0.44 C ATOM 0 H LEU A 25 -1.868 -6.614 -0.562 1.00 0.23 H new ATOM 0 HA LEU A 25 -2.220 -6.025 -3.323 1.00 0.23 H new ATOM 0 HB2 LEU A 25 -3.199 -4.849 -0.722 1.00 0.26 H new ATOM 0 HB3 LEU A 25 -3.538 -4.048 -2.244 1.00 0.26 H new ATOM 0 HG LEU A 25 -4.378 -6.856 -1.465 1.00 0.36 H new ATOM 0 HD11 LEU A 25 -6.651 -5.897 -1.572 1.00 0.46 H new ATOM 0 HD12 LEU A 25 -5.646 -5.069 -0.358 1.00 0.46 H new ATOM 0 HD13 LEU A 25 -5.954 -4.300 -1.933 1.00 0.46 H new ATOM 0 HD21 LEU A 25 -5.622 -6.876 -3.590 1.00 0.44 H new ATOM 0 HD22 LEU A 25 -4.902 -5.307 -4.023 1.00 0.44 H new ATOM 0 HD23 LEU A 25 -3.867 -6.745 -3.855 1.00 0.44 H new ATOM 174 N ILE A 26 -0.238 -4.104 -1.581 1.00 0.21 N ATOM 175 CA ILE A 26 0.741 -3.032 -1.680 1.00 0.22 C ATOM 176 C ILE A 26 1.763 -3.327 -2.779 1.00 0.20 C ATOM 177 O ILE A 26 1.995 -2.496 -3.661 1.00 0.23 O ATOM 178 CB ILE A 26 1.461 -2.800 -0.333 1.00 0.22 C ATOM 179 CG1 ILE A 26 0.452 -2.356 0.733 1.00 0.26 C ATOM 180 CG2 ILE A 26 2.566 -1.764 -0.488 1.00 0.25 C ATOM 181 CD1 ILE A 26 1.055 -2.146 2.106 1.00 0.27 C ATOM 0 H ILE A 26 -0.238 -4.594 -0.687 1.00 0.21 H new ATOM 0 HA ILE A 26 0.202 -2.121 -1.939 1.00 0.22 H new ATOM 0 HB ILE A 26 1.917 -3.738 -0.014 1.00 0.22 H new ATOM 0 HG12 ILE A 26 -0.018 -1.428 0.409 1.00 0.26 H new ATOM 0 HG13 ILE A 26 -0.337 -3.105 0.805 1.00 0.26 H new ATOM 0 HG21 ILE A 26 3.061 -1.614 0.471 1.00 0.25 H new ATOM 0 HG22 ILE A 26 3.293 -2.114 -1.221 1.00 0.25 H new ATOM 0 HG23 ILE A 26 2.136 -0.821 -0.825 1.00 0.25 H new ATOM 0 HD11 ILE A 26 0.276 -1.833 2.802 1.00 0.27 H new ATOM 0 HD12 ILE A 26 1.500 -3.078 2.454 1.00 0.27 H new ATOM 0 HD13 ILE A 26 1.824 -1.375 2.052 1.00 0.27 H new ATOM 188 N VAL A 27 2.351 -4.519 -2.747 1.00 0.18 N ATOM 189 CA VAL A 27 3.309 -4.912 -3.777 1.00 0.20 C ATOM 190 C VAL A 27 2.592 -5.172 -5.101 1.00 0.22 C ATOM 191 O VAL A 27 3.179 -5.037 -6.175 1.00 0.24 O ATOM 192 CB VAL A 27 4.133 -6.156 -3.371 1.00 0.21 C ATOM 193 CG1 VAL A 27 4.950 -5.869 -2.122 1.00 0.21 C ATOM 194 CG2 VAL A 27 3.240 -7.371 -3.156 1.00 0.21 C ATOM 0 H VAL A 27 2.184 -5.223 -2.028 1.00 0.18 H new ATOM 0 HA VAL A 27 4.006 -4.082 -3.896 1.00 0.20 H new ATOM 0 HB VAL A 27 4.814 -6.385 -4.191 1.00 0.21 H new ATOM 0 HG11 VAL A 27 5.524 -6.755 -1.851 1.00 0.21 H new ATOM 0 HG12 VAL A 27 5.632 -5.041 -2.316 1.00 0.21 H new ATOM 0 HG13 VAL A 27 4.281 -5.605 -1.303 1.00 0.21 H new ATOM 0 HG21 VAL A 27 3.852 -8.227 -2.872 1.00 0.21 H new ATOM 0 HG22 VAL A 27 2.522 -7.159 -2.364 1.00 0.21 H new ATOM 0 HG23 VAL A 27 2.706 -7.598 -4.079 1.00 0.21 H new ATOM 198 N ASN A 28 1.317 -5.527 -5.007 1.00 0.26 N ATOM 199 CA ASN A 28 0.469 -5.726 -6.180 1.00 0.32 C ATOM 200 C ASN A 28 0.322 -4.426 -6.967 1.00 0.27 C ATOM 201 O ASN A 28 0.283 -4.432 -8.196 1.00 0.29 O ATOM 202 CB ASN A 28 -0.901 -6.256 -5.740 1.00 0.45 C ATOM 203 CG ASN A 28 -1.964 -6.181 -6.818 1.00 0.68 C ATOM 204 OD1 ASN A 28 -2.730 -5.216 -6.879 1.00 1.59 O ATOM 205 ND2 ASN A 28 -2.025 -7.193 -7.668 1.00 0.86 N ATOM 0 H ASN A 28 0.841 -5.685 -4.119 1.00 0.26 H new ATOM 0 HA ASN A 28 0.937 -6.460 -6.836 1.00 0.32 H new ATOM 0 HB2 ASN A 28 -0.793 -7.293 -5.421 1.00 0.45 H new ATOM 0 HB3 ASN A 28 -1.237 -5.689 -4.872 1.00 0.45 H new ATOM 0 HD21 ASN A 28 -2.725 -7.195 -8.410 1.00 0.86 H new ATOM 0 HD22 ASN A 28 -1.372 -7.972 -7.582 1.00 0.86 H new ATOM 212 N TYR A 29 0.259 -3.309 -6.253 1.00 0.25 N ATOM 213 CA TYR A 29 0.172 -2.008 -6.896 1.00 0.24 C ATOM 214 C TYR A 29 1.506 -1.625 -7.528 1.00 0.19 C ATOM 215 O TYR A 29 1.555 -1.193 -8.680 1.00 0.19 O ATOM 216 CB TYR A 29 -0.263 -0.936 -5.894 1.00 0.29 C ATOM 217 CG TYR A 29 -0.279 0.459 -6.475 1.00 0.32 C ATOM 218 CD1 TYR A 29 -1.109 0.775 -7.543 1.00 1.20 C ATOM 219 CD2 TYR A 29 0.539 1.457 -5.962 1.00 1.23 C ATOM 220 CE1 TYR A 29 -1.120 2.044 -8.086 1.00 1.22 C ATOM 221 CE2 TYR A 29 0.530 2.731 -6.498 1.00 1.25 C ATOM 222 CZ TYR A 29 -0.299 3.018 -7.560 1.00 0.43 C ATOM 223 OH TYR A 29 -0.306 4.283 -8.099 1.00 0.50 O ATOM 0 H TYR A 29 0.267 -3.279 -5.233 1.00 0.25 H new ATOM 0 HA TYR A 29 -0.579 -2.073 -7.684 1.00 0.24 H new ATOM 0 HB2 TYR A 29 -1.259 -1.179 -5.524 1.00 0.29 H new ATOM 0 HB3 TYR A 29 0.410 -0.957 -5.037 1.00 0.29 H new ATOM 0 HD1 TYR A 29 -1.756 0.015 -7.955 1.00 1.20 H new ATOM 0 HD2 TYR A 29 1.192 1.234 -5.131 1.00 1.23 H new ATOM 0 HE1 TYR A 29 -1.769 2.272 -8.919 1.00 1.22 H new ATOM 0 HE2 TYR A 29 1.170 3.498 -6.086 1.00 1.25 H new ATOM 0 HH TYR A 29 -0.944 4.318 -8.842 1.00 0.50 H new ATOM 233 N PHE A 30 2.586 -1.798 -6.774 1.00 0.16 N ATOM 234 CA PHE A 30 3.917 -1.432 -7.249 1.00 0.16 C ATOM 235 C PHE A 30 4.308 -2.238 -8.485 1.00 0.18 C ATOM 236 O PHE A 30 4.897 -1.701 -9.426 1.00 0.21 O ATOM 237 CB PHE A 30 4.962 -1.637 -6.151 1.00 0.19 C ATOM 238 CG PHE A 30 4.814 -0.721 -4.967 1.00 0.19 C ATOM 239 CD1 PHE A 30 4.395 0.591 -5.126 1.00 1.18 C ATOM 240 CD2 PHE A 30 5.118 -1.171 -3.693 1.00 1.19 C ATOM 241 CE1 PHE A 30 4.278 1.431 -4.037 1.00 1.17 C ATOM 242 CE2 PHE A 30 5.000 -0.333 -2.601 1.00 1.22 C ATOM 243 CZ PHE A 30 4.581 0.970 -2.774 1.00 0.25 C ATOM 0 H PHE A 30 2.567 -2.189 -5.832 1.00 0.16 H new ATOM 0 HA PHE A 30 3.885 -0.376 -7.519 1.00 0.16 H new ATOM 0 HB2 PHE A 30 4.908 -2.669 -5.804 1.00 0.19 H new ATOM 0 HB3 PHE A 30 5.954 -1.497 -6.581 1.00 0.19 H new ATOM 0 HD1 PHE A 30 4.158 0.960 -6.113 1.00 1.18 H new ATOM 0 HD2 PHE A 30 5.451 -2.189 -3.552 1.00 1.19 H new ATOM 0 HE1 PHE A 30 3.949 2.450 -4.175 1.00 1.17 H new ATOM 0 HE2 PHE A 30 5.236 -0.698 -1.612 1.00 1.22 H new ATOM 0 HZ PHE A 30 4.491 1.627 -1.922 1.00 0.25 H new ATOM 253 N SER A 31 3.966 -3.521 -8.484 1.00 0.21 N ATOM 254 CA SER A 31 4.283 -4.392 -9.607 1.00 0.27 C ATOM 255 C SER A 31 3.560 -3.934 -10.873 1.00 0.25 C ATOM 256 O SER A 31 4.083 -4.077 -11.977 1.00 0.27 O ATOM 257 CB SER A 31 3.929 -5.842 -9.272 1.00 0.35 C ATOM 258 OG SER A 31 2.630 -5.935 -8.714 1.00 1.15 O ATOM 0 H SER A 31 3.470 -3.980 -7.720 1.00 0.21 H new ATOM 0 HA SER A 31 5.355 -4.334 -9.795 1.00 0.27 H new ATOM 0 HB2 SER A 31 3.985 -6.451 -10.174 1.00 0.35 H new ATOM 0 HB3 SER A 31 4.659 -6.245 -8.570 1.00 0.35 H new ATOM 0 HG SER A 31 2.668 -5.719 -7.759 1.00 1.15 H new ATOM 264 N SER A 32 2.367 -3.368 -10.705 1.00 0.27 N ATOM 265 CA SER A 32 1.615 -2.819 -11.828 1.00 0.30 C ATOM 266 C SER A 32 2.336 -1.605 -12.410 1.00 0.28 C ATOM 267 O SER A 32 2.442 -1.456 -13.630 1.00 0.35 O ATOM 268 CB SER A 32 0.212 -2.414 -11.377 1.00 0.40 C ATOM 269 OG SER A 32 -0.461 -3.496 -10.757 1.00 0.99 O ATOM 0 H SER A 32 1.901 -3.278 -9.802 1.00 0.27 H new ATOM 0 HA SER A 32 1.537 -3.588 -12.597 1.00 0.30 H new ATOM 0 HB2 SER A 32 0.278 -1.577 -10.681 1.00 0.40 H new ATOM 0 HB3 SER A 32 -0.363 -2.069 -12.236 1.00 0.40 H new ATOM 0 HG SER A 32 -0.060 -3.672 -9.880 1.00 0.99 H new ATOM 275 N ILE A 33 2.844 -0.752 -11.523 1.00 0.24 N ATOM 276 CA ILE A 33 3.520 0.476 -11.926 1.00 0.26 C ATOM 277 C ILE A 33 4.711 0.177 -12.832 1.00 0.26 C ATOM 278 O ILE A 33 4.853 0.770 -13.903 1.00 0.31 O ATOM 279 CB ILE A 33 4.021 1.275 -10.705 1.00 0.30 C ATOM 280 CG1 ILE A 33 2.876 1.580 -9.741 1.00 0.30 C ATOM 281 CG2 ILE A 33 4.677 2.570 -11.153 1.00 0.43 C ATOM 282 CD1 ILE A 33 3.320 2.354 -8.519 1.00 0.34 C ATOM 0 H ILE A 33 2.799 -0.892 -10.514 1.00 0.24 H new ATOM 0 HA ILE A 33 2.785 1.071 -12.469 1.00 0.26 H new ATOM 0 HB ILE A 33 4.757 0.663 -10.184 1.00 0.30 H new ATOM 0 HG12 ILE A 33 2.109 2.150 -10.266 1.00 0.30 H new ATOM 0 HG13 ILE A 33 2.417 0.644 -9.424 1.00 0.30 H new ATOM 0 HG21 ILE A 33 5.025 3.122 -10.280 1.00 0.43 H new ATOM 0 HG22 ILE A 33 5.524 2.344 -11.801 1.00 0.43 H new ATOM 0 HG23 ILE A 33 3.953 3.174 -11.700 1.00 0.43 H new ATOM 0 HD11 ILE A 33 2.461 2.539 -7.874 1.00 0.34 H new ATOM 0 HD12 ILE A 33 4.066 1.776 -7.973 1.00 0.34 H new ATOM 0 HD13 ILE A 33 3.753 3.305 -8.828 1.00 0.34 H new ATOM 289 N VAL A 34 5.560 -0.747 -12.403 1.00 0.24 N ATOM 290 CA VAL A 34 6.760 -1.084 -13.160 1.00 0.31 C ATOM 291 C VAL A 34 6.423 -1.908 -14.399 1.00 0.37 C ATOM 292 O VAL A 34 7.126 -1.834 -15.406 1.00 0.47 O ATOM 293 CB VAL A 34 7.798 -1.843 -12.301 1.00 0.34 C ATOM 294 CG1 VAL A 34 8.314 -0.956 -11.179 1.00 0.35 C ATOM 295 CG2 VAL A 34 7.211 -3.127 -11.733 1.00 0.33 C ATOM 0 H VAL A 34 5.442 -1.275 -11.538 1.00 0.24 H new ATOM 0 HA VAL A 34 7.201 -0.137 -13.471 1.00 0.31 H new ATOM 0 HB VAL A 34 8.633 -2.111 -12.948 1.00 0.34 H new ATOM 0 HG11 VAL A 34 9.043 -1.507 -10.585 1.00 0.35 H new ATOM 0 HG12 VAL A 34 8.787 -0.070 -11.604 1.00 0.35 H new ATOM 0 HG13 VAL A 34 7.482 -0.654 -10.543 1.00 0.35 H new ATOM 0 HG21 VAL A 34 7.965 -3.638 -11.134 1.00 0.33 H new ATOM 0 HG22 VAL A 34 6.351 -2.888 -11.107 1.00 0.33 H new ATOM 0 HG23 VAL A 34 6.896 -3.776 -12.550 1.00 0.33 H new ATOM 299 N GLU A 35 5.338 -2.672 -14.331 1.00 0.35 N ATOM 300 CA GLU A 35 4.937 -3.530 -15.439 1.00 0.46 C ATOM 301 C GLU A 35 4.563 -2.704 -16.665 1.00 0.50 C ATOM 302 O GLU A 35 5.036 -2.971 -17.769 1.00 0.61 O ATOM 303 CB GLU A 35 3.767 -4.424 -15.024 1.00 0.50 C ATOM 304 CG GLU A 35 3.325 -5.398 -16.104 1.00 0.70 C ATOM 305 CD GLU A 35 2.297 -6.393 -15.607 1.00 1.49 C ATOM 306 OE1 GLU A 35 1.096 -6.059 -15.585 1.00 2.19 O ATOM 307 OE2 GLU A 35 2.690 -7.519 -15.234 1.00 2.22 O ATOM 0 H GLU A 35 4.721 -2.714 -13.520 1.00 0.35 H new ATOM 0 HA GLU A 35 5.786 -4.161 -15.702 1.00 0.46 H new ATOM 0 HB2 GLU A 35 4.050 -4.987 -14.134 1.00 0.50 H new ATOM 0 HB3 GLU A 35 2.921 -3.794 -14.748 1.00 0.50 H new ATOM 0 HG2 GLU A 35 2.909 -4.840 -16.943 1.00 0.70 H new ATOM 0 HG3 GLU A 35 4.195 -5.937 -16.480 1.00 0.70 H new ATOM 314 N LYS A 36 3.734 -1.688 -16.468 1.00 0.47 N ATOM 315 CA LYS A 36 3.287 -0.856 -17.578 1.00 0.54 C ATOM 316 C LYS A 36 4.222 0.332 -17.793 1.00 0.50 C ATOM 317 O LYS A 36 3.978 1.180 -18.652 1.00 0.60 O ATOM 318 CB LYS A 36 1.861 -0.352 -17.344 1.00 0.67 C ATOM 319 CG LYS A 36 1.720 0.537 -16.116 1.00 0.71 C ATOM 320 CD LYS A 36 0.354 1.202 -16.052 1.00 0.97 C ATOM 321 CE LYS A 36 0.120 2.110 -17.251 1.00 1.42 C ATOM 322 NZ LYS A 36 -1.161 2.854 -17.145 1.00 2.08 N ATOM 0 H LYS A 36 3.359 -1.421 -15.558 1.00 0.47 H new ATOM 0 HA LYS A 36 3.302 -1.477 -18.474 1.00 0.54 H new ATOM 0 HB2 LYS A 36 1.532 0.203 -18.223 1.00 0.67 H new ATOM 0 HB3 LYS A 36 1.195 -1.208 -17.240 1.00 0.67 H new ATOM 0 HG2 LYS A 36 1.876 -0.059 -15.217 1.00 0.71 H new ATOM 0 HG3 LYS A 36 2.496 1.302 -16.131 1.00 0.71 H new ATOM 0 HD2 LYS A 36 -0.423 0.438 -16.016 1.00 0.97 H new ATOM 0 HD3 LYS A 36 0.273 1.783 -15.133 1.00 0.97 H new ATOM 0 HE2 LYS A 36 0.944 2.818 -17.336 1.00 1.42 H new ATOM 0 HE3 LYS A 36 0.118 1.513 -18.163 1.00 1.42 H new ATOM 0 HZ1 LYS A 36 -1.510 3.081 -18.098 1.00 2.08 H new ATOM 0 HZ2 LYS A 36 -1.863 2.268 -16.650 1.00 2.08 H new ATOM 0 HZ3 LYS A 36 -1.008 3.735 -16.613 1.00 2.08 H new ATOM 336 N LYS A 37 5.290 0.373 -16.996 1.00 0.47 N ATOM 337 CA LYS A 37 6.270 1.457 -17.035 1.00 0.54 C ATOM 338 C LYS A 37 5.590 2.806 -16.793 1.00 0.59 C ATOM 339 O LYS A 37 5.713 3.738 -17.589 1.00 0.75 O ATOM 340 CB LYS A 37 7.022 1.465 -18.371 1.00 0.71 C ATOM 341 CG LYS A 37 8.272 2.334 -18.362 1.00 1.18 C ATOM 342 CD LYS A 37 8.869 2.484 -19.751 1.00 1.41 C ATOM 343 CE LYS A 37 7.975 3.312 -20.664 1.00 1.98 C ATOM 344 NZ LYS A 37 7.769 4.691 -20.143 1.00 2.60 N ATOM 0 H LYS A 37 5.500 -0.346 -16.304 1.00 0.47 H new ATOM 0 HA LYS A 37 6.994 1.288 -16.238 1.00 0.54 H new ATOM 0 HB2 LYS A 37 7.302 0.443 -18.627 1.00 0.71 H new ATOM 0 HB3 LYS A 37 6.351 1.817 -19.154 1.00 0.71 H new ATOM 0 HG2 LYS A 37 8.026 3.319 -17.964 1.00 1.18 H new ATOM 0 HG3 LYS A 37 9.013 1.896 -17.694 1.00 1.18 H new ATOM 0 HD2 LYS A 37 9.849 2.956 -19.677 1.00 1.41 H new ATOM 0 HD3 LYS A 37 9.022 1.498 -20.189 1.00 1.41 H new ATOM 0 HE2 LYS A 37 8.420 3.363 -21.658 1.00 1.98 H new ATOM 0 HE3 LYS A 37 7.010 2.817 -20.772 1.00 1.98 H new ATOM 0 HZ1 LYS A 37 7.410 5.300 -20.906 1.00 2.60 H new ATOM 0 HZ2 LYS A 37 7.080 4.669 -19.365 1.00 2.60 H new ATOM 0 HZ3 LYS A 37 8.673 5.069 -19.794 1.00 2.60 H new ATOM 358 N GLU A 38 4.875 2.901 -15.681 1.00 0.54 N ATOM 359 CA GLU A 38 4.148 4.113 -15.332 1.00 0.68 C ATOM 360 C GLU A 38 5.081 5.050 -14.580 1.00 0.69 C ATOM 361 O GLU A 38 4.855 6.257 -14.489 1.00 1.03 O ATOM 362 CB GLU A 38 2.935 3.760 -14.461 1.00 0.79 C ATOM 363 CG GLU A 38 2.027 4.936 -14.138 1.00 1.36 C ATOM 364 CD GLU A 38 1.267 5.436 -15.347 1.00 1.41 C ATOM 365 OE1 GLU A 38 0.178 4.898 -15.630 1.00 1.86 O ATOM 366 OE2 GLU A 38 1.749 6.369 -16.022 1.00 2.12 O ATOM 0 H GLU A 38 4.783 2.147 -15.000 1.00 0.54 H new ATOM 0 HA GLU A 38 3.793 4.605 -16.238 1.00 0.68 H new ATOM 0 HB2 GLU A 38 2.349 2.994 -14.969 1.00 0.79 H new ATOM 0 HB3 GLU A 38 3.289 3.323 -13.527 1.00 0.79 H new ATOM 0 HG2 GLU A 38 1.318 4.641 -13.365 1.00 1.36 H new ATOM 0 HG3 GLU A 38 2.625 5.750 -13.728 1.00 1.36 H new ATOM 373 N ILE A 39 6.144 4.468 -14.060 1.00 0.42 N ATOM 374 CA ILE A 39 7.110 5.197 -13.258 1.00 0.43 C ATOM 375 C ILE A 39 8.440 5.301 -14.008 1.00 0.48 C ATOM 376 O ILE A 39 8.685 4.543 -14.948 1.00 0.51 O ATOM 377 CB ILE A 39 7.302 4.493 -11.895 1.00 0.38 C ATOM 378 CG1 ILE A 39 7.973 5.416 -10.880 1.00 0.45 C ATOM 379 CG2 ILE A 39 8.103 3.208 -12.062 1.00 0.36 C ATOM 380 CD1 ILE A 39 7.965 4.858 -9.474 1.00 0.47 C ATOM 0 H ILE A 39 6.363 3.479 -14.180 1.00 0.42 H new ATOM 0 HA ILE A 39 6.738 6.205 -13.076 1.00 0.43 H new ATOM 0 HB ILE A 39 6.314 4.239 -11.511 1.00 0.38 H new ATOM 0 HG12 ILE A 39 9.003 5.596 -11.187 1.00 0.45 H new ATOM 0 HG13 ILE A 39 7.466 6.381 -10.884 1.00 0.45 H new ATOM 0 HG21 ILE A 39 8.227 2.728 -11.091 1.00 0.36 H new ATOM 0 HG22 ILE A 39 7.573 2.534 -12.735 1.00 0.36 H new ATOM 0 HG23 ILE A 39 9.083 3.441 -12.479 1.00 0.36 H new ATOM 0 HD11 ILE A 39 8.456 5.561 -8.801 1.00 0.47 H new ATOM 0 HD12 ILE A 39 6.936 4.704 -9.150 1.00 0.47 H new ATOM 0 HD13 ILE A 39 8.497 3.907 -9.457 1.00 0.47 H new ATOM 387 N SER A 40 9.277 6.251 -13.609 1.00 0.54 N ATOM 388 CA SER A 40 10.559 6.468 -14.266 1.00 0.62 C ATOM 389 C SER A 40 11.595 5.433 -13.817 1.00 0.53 C ATOM 390 O SER A 40 11.359 4.691 -12.862 1.00 0.48 O ATOM 391 CB SER A 40 11.058 7.881 -13.968 1.00 0.76 C ATOM 392 OG SER A 40 10.061 8.845 -14.263 1.00 1.82 O ATOM 0 H SER A 40 9.090 6.884 -12.832 1.00 0.54 H new ATOM 0 HA SER A 40 10.418 6.353 -15.341 1.00 0.62 H new ATOM 0 HB2 SER A 40 11.342 7.956 -12.918 1.00 0.76 H new ATOM 0 HB3 SER A 40 11.953 8.086 -14.556 1.00 0.76 H new ATOM 0 HG SER A 40 10.403 9.741 -14.063 1.00 1.82 H new ATOM 398 N GLU A 41 12.738 5.408 -14.501 1.00 0.59 N ATOM 399 CA GLU A 41 13.777 4.402 -14.267 1.00 0.60 C ATOM 400 C GLU A 41 14.170 4.293 -12.794 1.00 0.49 C ATOM 401 O GLU A 41 14.148 3.201 -12.220 1.00 0.46 O ATOM 402 CB GLU A 41 15.016 4.718 -15.108 1.00 0.78 C ATOM 403 CG GLU A 41 14.785 4.592 -16.604 1.00 1.07 C ATOM 404 CD GLU A 41 14.385 3.188 -17.009 1.00 1.43 C ATOM 405 OE1 GLU A 41 15.277 2.325 -17.140 1.00 1.99 O ATOM 406 OE2 GLU A 41 13.174 2.937 -17.185 1.00 2.19 O ATOM 0 H GLU A 41 12.971 6.081 -15.231 1.00 0.59 H new ATOM 0 HA GLU A 41 13.359 3.440 -14.565 1.00 0.60 H new ATOM 0 HB2 GLU A 41 15.347 5.732 -14.884 1.00 0.78 H new ATOM 0 HB3 GLU A 41 15.824 4.047 -14.816 1.00 0.78 H new ATOM 0 HG2 GLU A 41 14.006 5.291 -16.909 1.00 1.07 H new ATOM 0 HG3 GLU A 41 15.694 4.876 -17.135 1.00 1.07 H new ATOM 413 N ASP A 42 14.520 5.422 -12.185 1.00 0.52 N ATOM 414 CA ASP A 42 14.967 5.428 -10.791 1.00 0.52 C ATOM 415 C ASP A 42 13.875 4.905 -9.872 1.00 0.43 C ATOM 416 O ASP A 42 14.133 4.101 -8.978 1.00 0.47 O ATOM 417 CB ASP A 42 15.375 6.835 -10.344 1.00 0.62 C ATOM 418 CG ASP A 42 16.576 7.366 -11.093 1.00 1.50 C ATOM 419 OD1 ASP A 42 17.683 6.818 -10.925 1.00 2.30 O ATOM 420 OD2 ASP A 42 16.417 8.341 -11.853 1.00 2.21 O ATOM 0 H ASP A 42 14.504 6.340 -12.629 1.00 0.52 H new ATOM 0 HA ASP A 42 15.836 4.773 -10.727 1.00 0.52 H new ATOM 0 HB2 ASP A 42 14.535 7.514 -10.487 1.00 0.62 H new ATOM 0 HB3 ASP A 42 15.596 6.822 -9.277 1.00 0.62 H new ATOM 425 N GLY A 43 12.653 5.363 -10.110 1.00 0.39 N ATOM 426 CA GLY A 43 11.525 4.928 -9.313 1.00 0.37 C ATOM 427 C GLY A 43 11.250 3.445 -9.457 1.00 0.34 C ATOM 428 O GLY A 43 10.934 2.773 -8.478 1.00 0.35 O ATOM 0 H GLY A 43 12.423 6.032 -10.845 1.00 0.39 H new ATOM 0 HA2 GLY A 43 11.714 5.159 -8.265 1.00 0.37 H new ATOM 0 HA3 GLY A 43 10.638 5.489 -9.608 1.00 0.37 H new ATOM 432 N ALA A 44 11.378 2.934 -10.677 1.00 0.33 N ATOM 433 CA ALA A 44 11.162 1.517 -10.939 1.00 0.33 C ATOM 434 C ALA A 44 12.161 0.669 -10.162 1.00 0.32 C ATOM 435 O ALA A 44 11.788 -0.299 -9.501 1.00 0.31 O ATOM 436 CB ALA A 44 11.264 1.228 -12.429 1.00 0.38 C ATOM 0 H ALA A 44 11.630 3.481 -11.500 1.00 0.33 H new ATOM 0 HA ALA A 44 10.158 1.257 -10.605 1.00 0.33 H new ATOM 0 HB1 ALA A 44 11.100 0.165 -12.606 1.00 0.38 H new ATOM 0 HB2 ALA A 44 10.510 1.805 -12.964 1.00 0.38 H new ATOM 0 HB3 ALA A 44 12.255 1.506 -12.787 1.00 0.38 H new ATOM 442 N ASP A 45 13.429 1.057 -10.234 1.00 0.36 N ATOM 443 CA ASP A 45 14.488 0.373 -9.500 1.00 0.38 C ATOM 444 C ASP A 45 14.260 0.491 -8.000 1.00 0.36 C ATOM 445 O ASP A 45 14.511 -0.447 -7.240 1.00 0.37 O ATOM 446 CB ASP A 45 15.852 0.961 -9.860 1.00 0.48 C ATOM 447 CG ASP A 45 16.977 0.364 -9.041 1.00 1.11 C ATOM 448 OD1 ASP A 45 17.500 -0.701 -9.427 1.00 1.81 O ATOM 449 OD2 ASP A 45 17.361 0.968 -8.018 1.00 1.84 O ATOM 0 H ASP A 45 13.750 1.845 -10.796 1.00 0.36 H new ATOM 0 HA ASP A 45 14.469 -0.680 -9.779 1.00 0.38 H new ATOM 0 HB2 ASP A 45 16.049 0.792 -10.919 1.00 0.48 H new ATOM 0 HB3 ASP A 45 15.830 2.040 -9.708 1.00 0.48 H new ATOM 454 N SER A 46 13.779 1.652 -7.583 1.00 0.38 N ATOM 455 CA SER A 46 13.476 1.900 -6.186 1.00 0.41 C ATOM 456 C SER A 46 12.387 0.940 -5.708 1.00 0.36 C ATOM 457 O SER A 46 12.507 0.325 -4.651 1.00 0.39 O ATOM 458 CB SER A 46 13.038 3.357 -5.998 1.00 0.51 C ATOM 459 OG SER A 46 12.974 3.709 -4.629 1.00 0.98 O ATOM 0 H SER A 46 13.590 2.442 -8.200 1.00 0.38 H new ATOM 0 HA SER A 46 14.371 1.728 -5.588 1.00 0.41 H new ATOM 0 HB2 SER A 46 13.737 4.017 -6.512 1.00 0.51 H new ATOM 0 HB3 SER A 46 12.062 3.506 -6.459 1.00 0.51 H new ATOM 0 HG SER A 46 12.173 3.313 -4.226 1.00 0.98 H new ATOM 465 N LEU A 47 11.342 0.779 -6.514 1.00 0.32 N ATOM 466 CA LEU A 47 10.248 -0.124 -6.174 1.00 0.30 C ATOM 467 C LEU A 47 10.738 -1.564 -6.054 1.00 0.27 C ATOM 468 O LEU A 47 10.110 -2.385 -5.390 1.00 0.29 O ATOM 469 CB LEU A 47 9.130 -0.035 -7.216 1.00 0.30 C ATOM 470 CG LEU A 47 8.380 1.298 -7.255 1.00 0.35 C ATOM 471 CD1 LEU A 47 7.309 1.273 -8.333 1.00 0.39 C ATOM 472 CD2 LEU A 47 7.765 1.606 -5.899 1.00 0.41 C ATOM 0 H LEU A 47 11.230 1.261 -7.406 1.00 0.32 H new ATOM 0 HA LEU A 47 9.853 0.185 -5.206 1.00 0.30 H new ATOM 0 HB2 LEU A 47 9.558 -0.222 -8.201 1.00 0.30 H new ATOM 0 HB3 LEU A 47 8.412 -0.832 -7.024 1.00 0.30 H new ATOM 0 HG LEU A 47 9.093 2.087 -7.495 1.00 0.35 H new ATOM 0 HD11 LEU A 47 6.785 2.229 -8.347 1.00 0.39 H new ATOM 0 HD12 LEU A 47 7.774 1.099 -9.304 1.00 0.39 H new ATOM 0 HD13 LEU A 47 6.599 0.473 -8.122 1.00 0.39 H new ATOM 0 HD21 LEU A 47 7.236 2.558 -5.947 1.00 0.41 H new ATOM 0 HD22 LEU A 47 7.065 0.815 -5.629 1.00 0.41 H new ATOM 0 HD23 LEU A 47 8.552 1.666 -5.148 1.00 0.41 H new ATOM 484 N ASN A 48 11.867 -1.863 -6.681 1.00 0.26 N ATOM 485 CA ASN A 48 12.435 -3.203 -6.620 1.00 0.26 C ATOM 486 C ASN A 48 13.012 -3.490 -5.237 1.00 0.28 C ATOM 487 O ASN A 48 12.792 -4.567 -4.682 1.00 0.32 O ATOM 488 CB ASN A 48 13.514 -3.392 -7.691 1.00 0.28 C ATOM 489 CG ASN A 48 12.961 -3.336 -9.104 1.00 0.33 C ATOM 490 OD1 ASN A 48 13.646 -2.907 -10.034 1.00 0.48 O ATOM 491 ND2 ASN A 48 11.726 -3.783 -9.281 1.00 0.40 N ATOM 0 H ASN A 48 12.406 -1.199 -7.236 1.00 0.26 H new ATOM 0 HA ASN A 48 11.629 -3.911 -6.813 1.00 0.26 H new ATOM 0 HB2 ASN A 48 14.275 -2.620 -7.573 1.00 0.28 H new ATOM 0 HB3 ASN A 48 14.007 -4.352 -7.537 1.00 0.28 H new ATOM 0 HD21 ASN A 48 11.311 -3.780 -10.213 1.00 0.40 H new ATOM 0 HD22 ASN A 48 11.190 -4.130 -8.485 1.00 0.40 H new ATOM 498 N VAL A 49 13.732 -2.525 -4.665 1.00 0.27 N ATOM 499 CA VAL A 49 14.275 -2.707 -3.323 1.00 0.29 C ATOM 500 C VAL A 49 13.139 -2.679 -2.308 1.00 0.30 C ATOM 501 O VAL A 49 13.189 -3.360 -1.283 1.00 0.32 O ATOM 502 CB VAL A 49 15.361 -1.655 -2.957 1.00 0.32 C ATOM 503 CG1 VAL A 49 14.783 -0.254 -2.839 1.00 0.34 C ATOM 504 CG2 VAL A 49 16.073 -2.047 -1.669 1.00 0.36 C ATOM 0 H VAL A 49 13.949 -1.628 -5.100 1.00 0.27 H new ATOM 0 HA VAL A 49 14.772 -3.677 -3.301 1.00 0.29 H new ATOM 0 HB VAL A 49 16.085 -1.641 -3.772 1.00 0.32 H new ATOM 0 HG11 VAL A 49 15.577 0.447 -2.582 1.00 0.34 H new ATOM 0 HG12 VAL A 49 14.336 0.036 -3.790 1.00 0.34 H new ATOM 0 HG13 VAL A 49 14.021 -0.239 -2.060 1.00 0.34 H new ATOM 0 HG21 VAL A 49 16.829 -1.299 -1.429 1.00 0.36 H new ATOM 0 HG22 VAL A 49 15.349 -2.105 -0.856 1.00 0.36 H new ATOM 0 HG23 VAL A 49 16.551 -3.018 -1.799 1.00 0.36 H new ATOM 508 N ALA A 50 12.097 -1.913 -2.623 1.00 0.30 N ATOM 509 CA ALA A 50 10.896 -1.875 -1.802 1.00 0.34 C ATOM 510 C ALA A 50 10.178 -3.217 -1.848 1.00 0.34 C ATOM 511 O ALA A 50 9.596 -3.652 -0.857 1.00 0.37 O ATOM 512 CB ALA A 50 9.963 -0.768 -2.266 1.00 0.37 C ATOM 0 H ALA A 50 12.063 -1.309 -3.445 1.00 0.30 H new ATOM 0 HA ALA A 50 11.193 -1.670 -0.774 1.00 0.34 H new ATOM 0 HB1 ALA A 50 9.071 -0.757 -1.639 1.00 0.37 H new ATOM 0 HB2 ALA A 50 10.472 0.193 -2.190 1.00 0.37 H new ATOM 0 HB3 ALA A 50 9.676 -0.945 -3.302 1.00 0.37 H new ATOM 518 N MET A 51 10.233 -3.871 -3.003 1.00 0.34 N ATOM 519 CA MET A 51 9.605 -5.174 -3.177 1.00 0.39 C ATOM 520 C MET A 51 10.206 -6.172 -2.201 1.00 0.31 C ATOM 521 O MET A 51 9.491 -6.813 -1.427 1.00 0.30 O ATOM 522 CB MET A 51 9.790 -5.679 -4.611 1.00 0.52 C ATOM 523 CG MET A 51 8.619 -6.506 -5.118 1.00 0.62 C ATOM 524 SD MET A 51 7.506 -5.561 -6.186 1.00 0.65 S ATOM 525 CE MET A 51 7.347 -4.032 -5.265 1.00 0.41 C ATOM 0 H MET A 51 10.707 -3.518 -3.834 1.00 0.34 H new ATOM 0 HA MET A 51 8.538 -5.070 -2.980 1.00 0.39 H new ATOM 0 HB2 MET A 51 9.935 -4.825 -5.273 1.00 0.52 H new ATOM 0 HB3 MET A 51 10.698 -6.280 -4.662 1.00 0.52 H new ATOM 0 HG2 MET A 51 8.999 -7.367 -5.668 1.00 0.62 H new ATOM 0 HG3 MET A 51 8.058 -6.893 -4.267 1.00 0.62 H new ATOM 0 HE1 MET A 51 7.141 -3.212 -5.953 1.00 0.41 H new ATOM 0 HE2 MET A 51 6.528 -4.121 -4.551 1.00 0.41 H new ATOM 0 HE3 MET A 51 8.275 -3.832 -4.729 1.00 0.41 H new ATOM 535 N ASP A 52 11.531 -6.275 -2.228 1.00 0.31 N ATOM 536 CA ASP A 52 12.254 -7.154 -1.317 1.00 0.32 C ATOM 537 C ASP A 52 12.039 -6.719 0.128 1.00 0.28 C ATOM 538 O ASP A 52 11.883 -7.551 1.021 1.00 0.30 O ATOM 539 CB ASP A 52 13.747 -7.151 -1.647 1.00 0.42 C ATOM 540 CG ASP A 52 14.560 -7.955 -0.653 1.00 1.16 C ATOM 541 OD1 ASP A 52 14.525 -9.203 -0.720 1.00 1.99 O ATOM 542 OD2 ASP A 52 15.245 -7.341 0.192 1.00 1.84 O ATOM 0 H ASP A 52 12.128 -5.758 -2.874 1.00 0.31 H new ATOM 0 HA ASP A 52 11.868 -8.166 -1.439 1.00 0.32 H new ATOM 0 HB2 ASP A 52 13.896 -7.558 -2.647 1.00 0.42 H new ATOM 0 HB3 ASP A 52 14.111 -6.124 -1.663 1.00 0.42 H new ATOM 547 N CYS A 53 12.018 -5.409 0.337 1.00 0.27 N ATOM 548 CA CYS A 53 11.778 -4.830 1.654 1.00 0.27 C ATOM 549 C CYS A 53 10.469 -5.338 2.249 1.00 0.29 C ATOM 550 O CYS A 53 10.455 -5.919 3.333 1.00 0.36 O ATOM 551 CB CYS A 53 11.744 -3.305 1.550 1.00 0.36 C ATOM 552 SG CYS A 53 11.125 -2.479 3.027 1.00 1.05 S ATOM 0 H CYS A 53 12.166 -4.719 -0.399 1.00 0.27 H new ATOM 0 HA CYS A 53 12.591 -5.134 2.313 1.00 0.27 H new ATOM 0 HB2 CYS A 53 12.751 -2.944 1.340 1.00 0.36 H new ATOM 0 HB3 CYS A 53 11.121 -3.023 0.701 1.00 0.36 H new ATOM 0 HG CYS A 53 12.053 -1.710 3.515 1.00 1.05 H new ATOM 558 N ILE A 54 9.376 -5.129 1.524 1.00 0.26 N ATOM 559 CA ILE A 54 8.057 -5.542 1.984 1.00 0.29 C ATOM 560 C ILE A 54 8.002 -7.059 2.162 1.00 0.30 C ATOM 561 O ILE A 54 7.400 -7.563 3.113 1.00 0.33 O ATOM 562 CB ILE A 54 6.958 -5.077 0.998 1.00 0.29 C ATOM 563 CG1 ILE A 54 7.011 -3.554 0.842 1.00 0.31 C ATOM 564 CG2 ILE A 54 5.579 -5.511 1.477 1.00 0.33 C ATOM 565 CD1 ILE A 54 6.122 -3.020 -0.259 1.00 0.34 C ATOM 0 H ILE A 54 9.379 -4.674 0.611 1.00 0.26 H new ATOM 0 HA ILE A 54 7.873 -5.070 2.949 1.00 0.29 H new ATOM 0 HB ILE A 54 7.141 -5.543 0.030 1.00 0.29 H new ATOM 0 HG12 ILE A 54 6.722 -3.092 1.786 1.00 0.31 H new ATOM 0 HG13 ILE A 54 8.040 -3.254 0.642 1.00 0.31 H new ATOM 0 HG21 ILE A 54 4.824 -5.172 0.767 1.00 0.33 H new ATOM 0 HG22 ILE A 54 5.545 -6.598 1.552 1.00 0.33 H new ATOM 0 HG23 ILE A 54 5.379 -5.074 2.455 1.00 0.33 H new ATOM 0 HD11 ILE A 54 6.214 -1.935 -0.307 1.00 0.34 H new ATOM 0 HD12 ILE A 54 6.424 -3.453 -1.213 1.00 0.34 H new ATOM 0 HD13 ILE A 54 5.086 -3.287 -0.052 1.00 0.34 H new ATOM 572 N SER A 55 8.664 -7.779 1.263 1.00 0.30 N ATOM 573 CA SER A 55 8.740 -9.232 1.347 1.00 0.36 C ATOM 574 C SER A 55 9.412 -9.662 2.653 1.00 0.38 C ATOM 575 O SER A 55 8.890 -10.502 3.385 1.00 0.41 O ATOM 576 CB SER A 55 9.512 -9.792 0.151 1.00 0.40 C ATOM 577 OG SER A 55 8.915 -9.396 -1.074 1.00 0.80 O ATOM 0 H SER A 55 9.157 -7.378 0.465 1.00 0.30 H new ATOM 0 HA SER A 55 7.725 -9.630 1.331 1.00 0.36 H new ATOM 0 HB2 SER A 55 10.544 -9.444 0.185 1.00 0.40 H new ATOM 0 HB3 SER A 55 9.541 -10.880 0.210 1.00 0.40 H new ATOM 0 HG SER A 55 9.007 -8.427 -1.185 1.00 0.80 H new ATOM 583 N GLU A 56 10.560 -9.058 2.946 1.00 0.39 N ATOM 584 CA GLU A 56 11.318 -9.366 4.155 1.00 0.48 C ATOM 585 C GLU A 56 10.558 -8.925 5.405 1.00 0.43 C ATOM 586 O GLU A 56 10.419 -9.690 6.361 1.00 0.46 O ATOM 587 CB GLU A 56 12.681 -8.665 4.097 1.00 0.60 C ATOM 588 CG GLU A 56 13.564 -8.911 5.312 1.00 0.83 C ATOM 589 CD GLU A 56 13.988 -10.357 5.448 1.00 1.81 C ATOM 590 OE1 GLU A 56 14.870 -10.795 4.681 1.00 2.38 O ATOM 591 OE2 GLU A 56 13.444 -11.064 6.324 1.00 2.66 O ATOM 0 H GLU A 56 10.989 -8.345 2.356 1.00 0.39 H new ATOM 0 HA GLU A 56 11.462 -10.445 4.209 1.00 0.48 H new ATOM 0 HB2 GLU A 56 13.210 -8.998 3.204 1.00 0.60 H new ATOM 0 HB3 GLU A 56 12.520 -7.592 3.990 1.00 0.60 H new ATOM 0 HG2 GLU A 56 14.452 -8.282 5.243 1.00 0.83 H new ATOM 0 HG3 GLU A 56 13.028 -8.609 6.212 1.00 0.83 H new ATOM 598 N ALA A 57 10.056 -7.696 5.377 1.00 0.39 N ATOM 599 CA ALA A 57 9.393 -7.096 6.530 1.00 0.39 C ATOM 600 C ALA A 57 8.156 -7.880 6.957 1.00 0.33 C ATOM 601 O ALA A 57 7.924 -8.084 8.148 1.00 0.39 O ATOM 602 CB ALA A 57 9.024 -5.651 6.225 1.00 0.42 C ATOM 0 H ALA A 57 10.096 -7.089 4.558 1.00 0.39 H new ATOM 0 HA ALA A 57 10.095 -7.124 7.363 1.00 0.39 H new ATOM 0 HB1 ALA A 57 8.530 -5.211 7.091 1.00 0.42 H new ATOM 0 HB2 ALA A 57 9.927 -5.085 5.997 1.00 0.42 H new ATOM 0 HB3 ALA A 57 8.351 -5.620 5.369 1.00 0.42 H new ATOM 608 N PHE A 58 7.364 -8.322 5.992 1.00 0.29 N ATOM 609 CA PHE A 58 6.124 -9.027 6.299 1.00 0.28 C ATOM 610 C PHE A 58 6.315 -10.539 6.316 1.00 0.30 C ATOM 611 O PHE A 58 5.499 -11.269 6.875 1.00 0.38 O ATOM 612 CB PHE A 58 5.034 -8.647 5.302 1.00 0.26 C ATOM 613 CG PHE A 58 4.512 -7.251 5.478 1.00 0.25 C ATOM 614 CD1 PHE A 58 5.216 -6.163 4.989 1.00 1.24 C ATOM 615 CD2 PHE A 58 3.312 -7.029 6.130 1.00 1.18 C ATOM 616 CE1 PHE A 58 4.733 -4.880 5.147 1.00 1.22 C ATOM 617 CE2 PHE A 58 2.821 -5.748 6.290 1.00 1.22 C ATOM 618 CZ PHE A 58 3.533 -4.672 5.798 1.00 0.28 C ATOM 0 H PHE A 58 7.554 -8.207 4.996 1.00 0.29 H new ATOM 0 HA PHE A 58 5.818 -8.722 7.300 1.00 0.28 H new ATOM 0 HB2 PHE A 58 5.427 -8.753 4.291 1.00 0.26 H new ATOM 0 HB3 PHE A 58 4.206 -9.349 5.398 1.00 0.26 H new ATOM 0 HD1 PHE A 58 6.154 -6.321 4.478 1.00 1.24 H new ATOM 0 HD2 PHE A 58 2.753 -7.867 6.518 1.00 1.18 H new ATOM 0 HE1 PHE A 58 5.292 -4.040 4.762 1.00 1.22 H new ATOM 0 HE2 PHE A 58 1.882 -5.588 6.799 1.00 1.22 H new ATOM 0 HZ PHE A 58 3.152 -3.669 5.922 1.00 0.28 H new ATOM 628 N GLY A 59 7.387 -11.004 5.691 1.00 0.34 N ATOM 629 CA GLY A 59 7.717 -12.414 5.734 1.00 0.39 C ATOM 630 C GLY A 59 7.003 -13.227 4.672 1.00 0.38 C ATOM 631 O GLY A 59 6.438 -14.281 4.967 1.00 0.43 O ATOM 0 H GLY A 59 8.036 -10.429 5.154 1.00 0.34 H new ATOM 0 HA2 GLY A 59 8.793 -12.533 5.611 1.00 0.39 H new ATOM 0 HA3 GLY A 59 7.463 -12.810 6.717 1.00 0.39 H new ATOM 635 N PHE A 60 7.032 -12.752 3.435 1.00 0.35 N ATOM 636 CA PHE A 60 6.427 -13.481 2.328 1.00 0.39 C ATOM 637 C PHE A 60 7.275 -13.328 1.074 1.00 0.40 C ATOM 638 O PHE A 60 8.219 -12.538 1.047 1.00 0.42 O ATOM 639 CB PHE A 60 4.988 -13.002 2.066 1.00 0.40 C ATOM 640 CG PHE A 60 4.873 -11.627 1.460 1.00 0.31 C ATOM 641 CD1 PHE A 60 4.836 -10.500 2.260 1.00 1.19 C ATOM 642 CD2 PHE A 60 4.788 -11.468 0.085 1.00 1.22 C ATOM 643 CE1 PHE A 60 4.721 -9.240 1.703 1.00 1.22 C ATOM 644 CE2 PHE A 60 4.671 -10.212 -0.478 1.00 1.20 C ATOM 645 CZ PHE A 60 4.638 -9.096 0.332 1.00 0.33 C ATOM 0 H PHE A 60 7.467 -11.867 3.172 1.00 0.35 H new ATOM 0 HA PHE A 60 6.384 -14.536 2.599 1.00 0.39 H new ATOM 0 HB2 PHE A 60 4.499 -13.716 1.404 1.00 0.40 H new ATOM 0 HB3 PHE A 60 4.440 -13.014 3.008 1.00 0.40 H new ATOM 0 HD1 PHE A 60 4.898 -10.605 3.333 1.00 1.19 H new ATOM 0 HD2 PHE A 60 4.814 -12.338 -0.554 1.00 1.22 H new ATOM 0 HE1 PHE A 60 4.696 -8.368 2.340 1.00 1.22 H new ATOM 0 HE2 PHE A 60 4.605 -10.104 -1.551 1.00 1.20 H new ATOM 0 HZ PHE A 60 4.548 -8.112 -0.105 1.00 0.33 H new ATOM 655 N GLU A 61 6.947 -14.097 0.048 1.00 0.48 N ATOM 656 CA GLU A 61 7.668 -14.040 -1.215 1.00 0.55 C ATOM 657 C GLU A 61 6.814 -13.369 -2.284 1.00 0.50 C ATOM 658 O GLU A 61 5.585 -13.405 -2.226 1.00 0.48 O ATOM 659 CB GLU A 61 8.048 -15.450 -1.663 1.00 0.70 C ATOM 660 CG GLU A 61 9.010 -16.154 -0.722 1.00 0.81 C ATOM 661 CD GLU A 61 9.332 -17.557 -1.180 1.00 1.48 C ATOM 662 OE1 GLU A 61 10.244 -17.719 -2.020 1.00 2.05 O ATOM 663 OE2 GLU A 61 8.666 -18.504 -0.717 1.00 2.33 O ATOM 0 H GLU A 61 6.182 -14.772 0.065 1.00 0.48 H new ATOM 0 HA GLU A 61 8.575 -13.453 -1.072 1.00 0.55 H new ATOM 0 HB2 GLU A 61 7.142 -16.048 -1.755 1.00 0.70 H new ATOM 0 HB3 GLU A 61 8.498 -15.397 -2.655 1.00 0.70 H new ATOM 0 HG2 GLU A 61 9.932 -15.577 -0.649 1.00 0.81 H new ATOM 0 HG3 GLU A 61 8.577 -16.190 0.278 1.00 0.81 H new ATOM 670 N ARG A 62 7.481 -12.776 -3.266 1.00 0.54 N ATOM 671 CA ARG A 62 6.814 -12.060 -4.353 1.00 0.53 C ATOM 672 C ARG A 62 5.974 -13.009 -5.205 1.00 0.53 C ATOM 673 O ARG A 62 5.064 -12.583 -5.913 1.00 0.64 O ATOM 674 CB ARG A 62 7.862 -11.355 -5.222 1.00 0.63 C ATOM 675 CG ARG A 62 7.279 -10.504 -6.337 1.00 1.40 C ATOM 676 CD ARG A 62 8.374 -9.867 -7.175 1.00 1.46 C ATOM 677 NE ARG A 62 7.833 -9.065 -8.272 1.00 2.25 N ATOM 678 CZ ARG A 62 8.541 -8.174 -8.962 1.00 2.60 C ATOM 679 NH1 ARG A 62 9.819 -7.961 -8.669 1.00 2.13 N ATOM 680 NH2 ARG A 62 7.970 -7.500 -9.952 1.00 3.67 N ATOM 0 H ARG A 62 8.499 -12.776 -3.334 1.00 0.54 H new ATOM 0 HA ARG A 62 6.143 -11.319 -3.919 1.00 0.53 H new ATOM 0 HB2 ARG A 62 8.481 -10.723 -4.584 1.00 0.63 H new ATOM 0 HB3 ARG A 62 8.519 -12.106 -5.660 1.00 0.63 H new ATOM 0 HG2 ARG A 62 6.643 -11.120 -6.973 1.00 1.40 H new ATOM 0 HG3 ARG A 62 6.645 -9.726 -5.911 1.00 1.40 H new ATOM 0 HD2 ARG A 62 8.996 -9.237 -6.539 1.00 1.46 H new ATOM 0 HD3 ARG A 62 9.019 -10.646 -7.581 1.00 1.46 H new ATOM 0 HE ARG A 62 6.853 -9.197 -8.524 1.00 2.25 H new ATOM 0 HH11 ARG A 62 10.262 -8.481 -7.912 1.00 2.13 H new ATOM 0 HH12 ARG A 62 10.357 -7.277 -9.201 1.00 2.13 H new ATOM 0 HH21 ARG A 62 6.990 -7.665 -10.183 1.00 3.67 H new ATOM 0 HH22 ARG A 62 8.511 -6.817 -10.482 1.00 3.67 H new ATOM 694 N GLU A 63 6.283 -14.293 -5.130 1.00 0.58 N ATOM 695 CA GLU A 63 5.519 -15.304 -5.844 1.00 0.64 C ATOM 696 C GLU A 63 4.314 -15.748 -5.015 1.00 0.63 C ATOM 697 O GLU A 63 3.415 -16.430 -5.506 1.00 0.75 O ATOM 698 CB GLU A 63 6.411 -16.505 -6.160 1.00 0.74 C ATOM 699 CG GLU A 63 5.781 -17.493 -7.124 1.00 1.70 C ATOM 700 CD GLU A 63 5.436 -16.858 -8.451 1.00 2.53 C ATOM 701 OE1 GLU A 63 6.299 -16.862 -9.357 1.00 3.12 O ATOM 702 OE2 GLU A 63 4.306 -16.351 -8.599 1.00 3.20 O ATOM 0 H GLU A 63 7.060 -14.661 -4.581 1.00 0.58 H new ATOM 0 HA GLU A 63 5.157 -14.874 -6.778 1.00 0.64 H new ATOM 0 HB2 GLU A 63 7.351 -16.148 -6.581 1.00 0.74 H new ATOM 0 HB3 GLU A 63 6.654 -17.021 -5.231 1.00 0.74 H new ATOM 0 HG2 GLU A 63 6.467 -18.324 -7.289 1.00 1.70 H new ATOM 0 HG3 GLU A 63 4.878 -17.908 -6.677 1.00 1.70 H new ATOM 709 N ALA A 64 4.293 -15.341 -3.755 1.00 0.55 N ATOM 710 CA ALA A 64 3.238 -15.749 -2.843 1.00 0.60 C ATOM 711 C ALA A 64 2.145 -14.692 -2.752 1.00 0.54 C ATOM 712 O ALA A 64 1.158 -14.875 -2.042 1.00 0.57 O ATOM 713 CB ALA A 64 3.815 -16.031 -1.465 1.00 0.67 C ATOM 0 H ALA A 64 4.996 -14.728 -3.341 1.00 0.55 H new ATOM 0 HA ALA A 64 2.789 -16.662 -3.235 1.00 0.60 H new ATOM 0 HB1 ALA A 64 3.015 -16.336 -0.791 1.00 0.67 H new ATOM 0 HB2 ALA A 64 4.553 -16.830 -1.536 1.00 0.67 H new ATOM 0 HB3 ALA A 64 4.291 -15.130 -1.079 1.00 0.67 H new ATOM 719 N VAL A 65 2.316 -13.592 -3.481 1.00 0.51 N ATOM 720 CA VAL A 65 1.343 -12.505 -3.452 1.00 0.47 C ATOM 721 C VAL A 65 -0.032 -12.987 -3.920 1.00 0.53 C ATOM 722 O VAL A 65 -1.044 -12.689 -3.288 1.00 0.54 O ATOM 723 CB VAL A 65 1.805 -11.284 -4.291 1.00 0.47 C ATOM 724 CG1 VAL A 65 2.131 -11.674 -5.720 1.00 0.51 C ATOM 725 CG2 VAL A 65 0.757 -10.185 -4.280 1.00 0.50 C ATOM 0 H VAL A 65 3.114 -13.431 -4.095 1.00 0.51 H new ATOM 0 HA VAL A 65 1.264 -12.178 -2.415 1.00 0.47 H new ATOM 0 HB VAL A 65 2.716 -10.907 -3.826 1.00 0.47 H new ATOM 0 HG11 VAL A 65 2.450 -10.791 -6.274 1.00 0.51 H new ATOM 0 HG12 VAL A 65 2.932 -12.413 -5.722 1.00 0.51 H new ATOM 0 HG13 VAL A 65 1.245 -12.098 -6.193 1.00 0.51 H new ATOM 0 HG21 VAL A 65 1.107 -9.342 -4.876 1.00 0.50 H new ATOM 0 HG22 VAL A 65 -0.173 -10.565 -4.702 1.00 0.50 H new ATOM 0 HG23 VAL A 65 0.584 -9.858 -3.255 1.00 0.50 H new ATOM 729 N SER A 66 -0.062 -13.762 -4.999 1.00 0.63 N ATOM 730 CA SER A 66 -1.314 -14.307 -5.507 1.00 0.75 C ATOM 731 C SER A 66 -1.921 -15.288 -4.506 1.00 0.76 C ATOM 732 O SER A 66 -3.142 -15.393 -4.387 1.00 0.84 O ATOM 733 CB SER A 66 -1.087 -14.991 -6.856 1.00 0.89 C ATOM 734 OG SER A 66 -0.595 -14.068 -7.813 1.00 1.63 O ATOM 0 H SER A 66 0.764 -14.026 -5.537 1.00 0.63 H new ATOM 0 HA SER A 66 -2.016 -13.485 -5.647 1.00 0.75 H new ATOM 0 HB2 SER A 66 -0.379 -15.811 -6.738 1.00 0.89 H new ATOM 0 HB3 SER A 66 -2.022 -15.425 -7.210 1.00 0.89 H new ATOM 0 HG SER A 66 -0.455 -14.526 -8.668 1.00 1.63 H new ATOM 740 N GLY A 67 -1.060 -15.988 -3.777 1.00 0.73 N ATOM 741 CA GLY A 67 -1.523 -16.907 -2.756 1.00 0.75 C ATOM 742 C GLY A 67 -2.165 -16.179 -1.595 1.00 0.70 C ATOM 743 O GLY A 67 -3.223 -16.576 -1.112 1.00 0.76 O ATOM 0 H GLY A 67 -0.046 -15.935 -3.876 1.00 0.73 H new ATOM 0 HA2 GLY A 67 -2.241 -17.602 -3.191 1.00 0.75 H new ATOM 0 HA3 GLY A 67 -0.684 -17.501 -2.394 1.00 0.75 H new ATOM 747 N ILE A 68 -1.528 -15.100 -1.157 1.00 0.63 N ATOM 748 CA ILE A 68 -2.062 -14.281 -0.077 1.00 0.59 C ATOM 749 C ILE A 68 -3.373 -13.623 -0.501 1.00 0.63 C ATOM 750 O ILE A 68 -4.317 -13.531 0.282 1.00 0.71 O ATOM 751 CB ILE A 68 -1.060 -13.191 0.353 1.00 0.51 C ATOM 752 CG1 ILE A 68 0.258 -13.823 0.801 1.00 0.50 C ATOM 753 CG2 ILE A 68 -1.650 -12.348 1.473 1.00 0.50 C ATOM 754 CD1 ILE A 68 1.330 -12.810 1.142 1.00 0.45 C ATOM 0 H ILE A 68 -0.639 -14.772 -1.534 1.00 0.63 H new ATOM 0 HA ILE A 68 -2.243 -14.941 0.771 1.00 0.59 H new ATOM 0 HB ILE A 68 -0.860 -12.546 -0.502 1.00 0.51 H new ATOM 0 HG12 ILE A 68 0.073 -14.451 1.672 1.00 0.50 H new ATOM 0 HG13 ILE A 68 0.626 -14.476 0.010 1.00 0.50 H new ATOM 0 HG21 ILE A 68 -0.933 -11.582 1.768 1.00 0.50 H new ATOM 0 HG22 ILE A 68 -2.567 -11.872 1.126 1.00 0.50 H new ATOM 0 HG23 ILE A 68 -1.873 -12.985 2.329 1.00 0.50 H new ATOM 0 HD11 ILE A 68 2.237 -13.330 1.452 1.00 0.45 H new ATOM 0 HD12 ILE A 68 1.544 -12.198 0.266 1.00 0.45 H new ATOM 0 HD13 ILE A 68 0.982 -12.172 1.954 1.00 0.45 H new ATOM 761 N LEU A 69 -3.426 -13.172 -1.747 1.00 0.62 N ATOM 762 CA LEU A 69 -4.636 -12.567 -2.288 1.00 0.67 C ATOM 763 C LEU A 69 -5.751 -13.604 -2.394 1.00 0.85 C ATOM 764 O LEU A 69 -6.912 -13.311 -2.114 1.00 1.14 O ATOM 765 CB LEU A 69 -4.348 -11.930 -3.649 1.00 0.62 C ATOM 766 CG LEU A 69 -3.348 -10.771 -3.612 1.00 0.47 C ATOM 767 CD1 LEU A 69 -3.061 -10.254 -5.012 1.00 0.50 C ATOM 768 CD2 LEU A 69 -3.868 -9.646 -2.731 1.00 0.45 C ATOM 0 H LEU A 69 -2.645 -13.214 -2.402 1.00 0.62 H new ATOM 0 HA LEU A 69 -4.969 -11.783 -1.608 1.00 0.67 H new ATOM 0 HB2 LEU A 69 -3.968 -12.699 -4.322 1.00 0.62 H new ATOM 0 HB3 LEU A 69 -5.286 -11.570 -4.073 1.00 0.62 H new ATOM 0 HG LEU A 69 -2.416 -11.145 -3.189 1.00 0.47 H new ATOM 0 HD11 LEU A 69 -2.348 -9.431 -4.957 1.00 0.50 H new ATOM 0 HD12 LEU A 69 -2.642 -11.057 -5.618 1.00 0.50 H new ATOM 0 HD13 LEU A 69 -3.987 -9.902 -5.467 1.00 0.50 H new ATOM 0 HD21 LEU A 69 -3.144 -8.831 -2.717 1.00 0.45 H new ATOM 0 HD22 LEU A 69 -4.816 -9.282 -3.127 1.00 0.45 H new ATOM 0 HD23 LEU A 69 -4.017 -10.017 -1.717 1.00 0.45 H new ATOM 780 N GLY A 70 -5.388 -14.823 -2.776 1.00 0.81 N ATOM 781 CA GLY A 70 -6.349 -15.911 -2.800 1.00 0.94 C ATOM 782 C GLY A 70 -6.822 -16.278 -1.405 1.00 0.99 C ATOM 783 O GLY A 70 -7.959 -16.714 -1.217 1.00 1.25 O ATOM 0 H GLY A 70 -4.445 -15.078 -3.070 1.00 0.81 H new ATOM 0 HA2 GLY A 70 -7.206 -15.626 -3.411 1.00 0.94 H new ATOM 0 HA3 GLY A 70 -5.898 -16.784 -3.272 1.00 0.94 H new ATOM 787 N LYS A 71 -5.938 -16.100 -0.432 1.00 0.87 N ATOM 788 CA LYS A 71 -6.259 -16.344 0.970 1.00 0.98 C ATOM 789 C LYS A 71 -7.229 -15.287 1.491 1.00 0.99 C ATOM 790 O LYS A 71 -8.154 -15.587 2.247 1.00 1.26 O ATOM 791 CB LYS A 71 -4.975 -16.323 1.807 1.00 1.11 C ATOM 792 CG LYS A 71 -5.197 -16.576 3.291 1.00 1.69 C ATOM 793 CD LYS A 71 -3.939 -16.300 4.106 1.00 2.11 C ATOM 794 CE LYS A 71 -2.771 -17.167 3.662 1.00 2.60 C ATOM 795 NZ LYS A 71 -1.568 -16.950 4.509 1.00 3.16 N ATOM 0 H LYS A 71 -4.981 -15.784 -0.590 1.00 0.87 H new ATOM 0 HA LYS A 71 -6.732 -17.323 1.053 1.00 0.98 H new ATOM 0 HB2 LYS A 71 -4.289 -17.076 1.420 1.00 1.11 H new ATOM 0 HB3 LYS A 71 -4.489 -15.355 1.683 1.00 1.11 H new ATOM 0 HG2 LYS A 71 -6.009 -15.944 3.650 1.00 1.69 H new ATOM 0 HG3 LYS A 71 -5.508 -17.610 3.441 1.00 1.69 H new ATOM 0 HD2 LYS A 71 -3.668 -15.249 4.009 1.00 2.11 H new ATOM 0 HD3 LYS A 71 -4.144 -16.480 5.161 1.00 2.11 H new ATOM 0 HE2 LYS A 71 -3.061 -18.217 3.705 1.00 2.60 H new ATOM 0 HE3 LYS A 71 -2.528 -16.945 2.623 1.00 2.60 H new ATOM 0 HZ1 LYS A 71 -0.728 -17.322 4.021 1.00 3.16 H new ATOM 0 HZ2 LYS A 71 -1.445 -15.932 4.683 1.00 3.16 H new ATOM 0 HZ3 LYS A 71 -1.688 -17.444 5.416 1.00 3.16 H new ATOM 809 N SER A 72 -7.017 -14.051 1.069 1.00 0.92 N ATOM 810 CA SER A 72 -7.811 -12.930 1.541 1.00 1.08 C ATOM 811 C SER A 72 -9.063 -12.735 0.687 1.00 1.04 C ATOM 812 O SER A 72 -9.433 -13.613 -0.097 1.00 1.21 O ATOM 813 CB SER A 72 -6.953 -11.663 1.534 1.00 1.30 C ATOM 814 OG SER A 72 -6.310 -11.492 0.285 1.00 2.02 O ATOM 0 H SER A 72 -6.295 -13.798 0.394 1.00 0.92 H new ATOM 0 HA SER A 72 -8.141 -13.141 2.558 1.00 1.08 H new ATOM 0 HB2 SER A 72 -7.578 -10.796 1.747 1.00 1.30 H new ATOM 0 HB3 SER A 72 -6.207 -11.721 2.326 1.00 1.30 H new ATOM 0 HG SER A 72 -5.510 -12.057 0.249 1.00 2.02 H new ATOM 820 N GLU A 73 -9.720 -11.595 0.851 1.00 1.13 N ATOM 821 CA GLU A 73 -10.890 -11.252 0.047 1.00 1.31 C ATOM 822 C GLU A 73 -10.451 -10.798 -1.339 1.00 1.26 C ATOM 823 O GLU A 73 -11.222 -10.829 -2.302 1.00 1.87 O ATOM 824 CB GLU A 73 -11.665 -10.116 0.717 1.00 1.67 C ATOM 825 CG GLU A 73 -11.938 -10.338 2.194 1.00 1.87 C ATOM 826 CD GLU A 73 -12.967 -11.415 2.445 1.00 2.12 C ATOM 827 OE1 GLU A 73 -14.169 -11.132 2.306 1.00 2.64 O ATOM 828 OE2 GLU A 73 -12.578 -12.540 2.822 1.00 2.46 O ATOM 0 H GLU A 73 -9.462 -10.886 1.538 1.00 1.13 H new ATOM 0 HA GLU A 73 -11.527 -12.133 -0.039 1.00 1.31 H new ATOM 0 HB2 GLU A 73 -11.105 -9.189 0.598 1.00 1.67 H new ATOM 0 HB3 GLU A 73 -12.615 -9.984 0.199 1.00 1.67 H new ATOM 0 HG2 GLU A 73 -11.008 -10.607 2.694 1.00 1.87 H new ATOM 0 HG3 GLU A 73 -12.280 -9.404 2.640 1.00 1.87 H new ATOM 835 N PHE A 74 -9.191 -10.405 -1.434 1.00 1.04 N ATOM 836 CA PHE A 74 -8.665 -9.762 -2.628 1.00 1.02 C ATOM 837 C PHE A 74 -8.224 -10.799 -3.655 1.00 1.08 C ATOM 838 O PHE A 74 -7.227 -10.621 -4.352 1.00 1.45 O ATOM 839 CB PHE A 74 -7.496 -8.858 -2.238 1.00 0.94 C ATOM 840 CG PHE A 74 -7.763 -8.075 -0.984 1.00 0.96 C ATOM 841 CD1 PHE A 74 -8.778 -7.134 -0.940 1.00 1.61 C ATOM 842 CD2 PHE A 74 -7.006 -8.291 0.157 1.00 1.18 C ATOM 843 CE1 PHE A 74 -9.034 -6.424 0.217 1.00 1.70 C ATOM 844 CE2 PHE A 74 -7.256 -7.583 1.316 1.00 1.25 C ATOM 845 CZ PHE A 74 -8.272 -6.649 1.347 1.00 1.19 C ATOM 0 H PHE A 74 -8.505 -10.522 -0.688 1.00 1.04 H new ATOM 0 HA PHE A 74 -9.451 -9.160 -3.085 1.00 1.02 H new ATOM 0 HB2 PHE A 74 -6.602 -9.466 -2.098 1.00 0.94 H new ATOM 0 HB3 PHE A 74 -7.287 -8.168 -3.055 1.00 0.94 H new ATOM 0 HD1 PHE A 74 -9.376 -6.953 -1.821 1.00 1.61 H new ATOM 0 HD2 PHE A 74 -6.211 -9.022 0.139 1.00 1.18 H new ATOM 0 HE1 PHE A 74 -9.829 -5.694 0.238 1.00 1.70 H new ATOM 0 HE2 PHE A 74 -6.657 -7.760 2.197 1.00 1.25 H new ATOM 0 HZ PHE A 74 -8.471 -6.095 2.253 1.00 1.19 H new ATOM 901 N HIS A 78 -7.464 -5.360 -7.188 1.00 0.88 N ATOM 902 CA HIS A 78 -6.254 -4.584 -7.384 1.00 0.85 C ATOM 903 C HIS A 78 -6.300 -3.377 -6.452 1.00 0.69 C ATOM 904 O HIS A 78 -7.307 -2.671 -6.417 1.00 0.68 O ATOM 905 CB HIS A 78 -6.162 -4.154 -8.854 1.00 1.02 C ATOM 906 CG HIS A 78 -4.895 -3.447 -9.230 1.00 1.16 C ATOM 907 ND1 HIS A 78 -4.871 -2.149 -9.682 1.00 1.50 N ATOM 908 CD2 HIS A 78 -3.614 -3.873 -9.253 1.00 1.41 C ATOM 909 CE1 HIS A 78 -3.629 -1.806 -9.965 1.00 1.96 C ATOM 910 NE2 HIS A 78 -2.844 -2.836 -9.713 1.00 1.85 N ATOM 0 HA HIS A 78 -5.368 -5.175 -7.150 1.00 0.85 H new ATOM 0 HB2 HIS A 78 -6.267 -5.038 -9.483 1.00 1.02 H new ATOM 0 HB3 HIS A 78 -7.005 -3.501 -9.079 1.00 1.02 H new ATOM 0 HD1 HIS A 78 -5.687 -1.545 -9.783 1.00 1.50 H new ATOM 0 HD2 HIS A 78 -3.261 -4.851 -8.962 1.00 1.41 H new ATOM 0 HE1 HIS A 78 -3.309 -0.845 -10.340 1.00 1.96 H new ATOM 0 HE2 HIS A 78 -1.832 -2.857 -9.839 1.00 1.85 H new ATOM 919 N LEU A 79 -5.225 -3.159 -5.693 1.00 0.60 N ATOM 920 CA LEU A 79 -5.211 -2.160 -4.612 1.00 0.46 C ATOM 921 C LEU A 79 -5.800 -0.818 -5.039 1.00 0.44 C ATOM 922 O LEU A 79 -6.724 -0.309 -4.408 1.00 0.42 O ATOM 923 CB LEU A 79 -3.787 -1.938 -4.098 1.00 0.44 C ATOM 924 CG LEU A 79 -3.666 -0.919 -2.957 1.00 0.37 C ATOM 925 CD1 LEU A 79 -4.396 -1.406 -1.714 1.00 0.37 C ATOM 926 CD2 LEU A 79 -2.208 -0.638 -2.642 1.00 0.41 C ATOM 0 H LEU A 79 -4.345 -3.662 -5.805 1.00 0.60 H new ATOM 0 HA LEU A 79 -5.838 -2.565 -3.818 1.00 0.46 H new ATOM 0 HB2 LEU A 79 -3.386 -2.893 -3.758 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -3.163 -1.608 -4.929 1.00 0.44 H new ATOM 0 HG LEU A 79 -4.133 0.010 -3.284 1.00 0.37 H new ATOM 0 HD11 LEU A 79 -4.295 -0.666 -0.920 1.00 0.37 H new ATOM 0 HD12 LEU A 79 -5.452 -1.549 -1.945 1.00 0.37 H new ATOM 0 HD13 LEU A 79 -3.965 -2.352 -1.386 1.00 0.37 H new ATOM 0 HD21 LEU A 79 -2.144 0.087 -1.830 1.00 0.41 H new ATOM 0 HD22 LEU A 79 -1.716 -1.563 -2.342 1.00 0.41 H new ATOM 0 HD23 LEU A 79 -1.715 -0.236 -3.527 1.00 0.41 H new ATOM 938 N ALA A 80 -5.268 -0.257 -6.115 1.00 0.50 N ATOM 939 CA ALA A 80 -5.675 1.067 -6.571 1.00 0.54 C ATOM 940 C ALA A 80 -7.156 1.116 -6.931 1.00 0.58 C ATOM 941 O ALA A 80 -7.823 2.117 -6.689 1.00 0.61 O ATOM 942 CB ALA A 80 -4.829 1.486 -7.753 1.00 0.63 C ATOM 0 H ALA A 80 -4.551 -0.698 -6.691 1.00 0.50 H new ATOM 0 HA ALA A 80 -5.520 1.766 -5.749 1.00 0.54 H new ATOM 0 HB1 ALA A 80 -5.138 2.476 -8.089 1.00 0.63 H new ATOM 0 HB2 ALA A 80 -3.780 1.514 -7.458 1.00 0.63 H new ATOM 0 HB3 ALA A 80 -4.959 0.770 -8.565 1.00 0.63 H new ATOM 948 N ASP A 81 -7.665 0.028 -7.492 1.00 0.64 N ATOM 949 CA ASP A 81 -9.073 -0.060 -7.865 1.00 0.70 C ATOM 950 C ASP A 81 -9.948 -0.002 -6.624 1.00 0.60 C ATOM 951 O ASP A 81 -11.035 0.581 -6.631 1.00 0.67 O ATOM 952 CB ASP A 81 -9.342 -1.358 -8.629 1.00 0.78 C ATOM 953 CG ASP A 81 -8.639 -1.401 -9.968 1.00 1.52 C ATOM 954 OD1 ASP A 81 -7.392 -1.469 -9.991 1.00 2.30 O ATOM 955 OD2 ASP A 81 -9.328 -1.362 -11.004 1.00 2.06 O ATOM 0 H ASP A 81 -7.122 -0.810 -7.700 1.00 0.64 H new ATOM 0 HA ASP A 81 -9.313 0.785 -8.510 1.00 0.70 H new ATOM 0 HB2 ASP A 81 -9.017 -2.205 -8.025 1.00 0.78 H new ATOM 0 HB3 ASP A 81 -10.415 -1.469 -8.783 1.00 0.78 H new ATOM 960 N ILE A 82 -9.454 -0.610 -5.557 1.00 0.50 N ATOM 961 CA ILE A 82 -10.116 -0.569 -4.266 1.00 0.45 C ATOM 962 C ILE A 82 -10.167 0.862 -3.737 1.00 0.48 C ATOM 963 O ILE A 82 -11.224 1.349 -3.335 1.00 0.61 O ATOM 964 CB ILE A 82 -9.388 -1.483 -3.258 1.00 0.41 C ATOM 965 CG1 ILE A 82 -9.637 -2.952 -3.608 1.00 0.51 C ATOM 966 CG2 ILE A 82 -9.818 -1.180 -1.831 1.00 0.46 C ATOM 967 CD1 ILE A 82 -8.901 -3.925 -2.714 1.00 0.61 C ATOM 0 H ILE A 82 -8.585 -1.144 -5.563 1.00 0.50 H new ATOM 0 HA ILE A 82 -11.137 -0.931 -4.392 1.00 0.45 H new ATOM 0 HB ILE A 82 -8.318 -1.287 -3.324 1.00 0.41 H new ATOM 0 HG12 ILE A 82 -10.706 -3.154 -3.547 1.00 0.51 H new ATOM 0 HG13 ILE A 82 -9.338 -3.125 -4.642 1.00 0.51 H new ATOM 0 HG21 ILE A 82 -9.288 -1.840 -1.144 1.00 0.46 H new ATOM 0 HG22 ILE A 82 -9.583 -0.143 -1.593 1.00 0.46 H new ATOM 0 HG23 ILE A 82 -10.892 -1.340 -1.733 1.00 0.46 H new ATOM 0 HD11 ILE A 82 -9.127 -4.946 -3.023 1.00 0.61 H new ATOM 0 HD12 ILE A 82 -7.828 -3.751 -2.793 1.00 0.61 H new ATOM 0 HD13 ILE A 82 -9.217 -3.781 -1.681 1.00 0.61 H new ATOM 974 N LEU A 83 -9.023 1.534 -3.766 1.00 0.44 N ATOM 975 CA LEU A 83 -8.929 2.915 -3.300 1.00 0.52 C ATOM 976 C LEU A 83 -9.754 3.848 -4.181 1.00 0.69 C ATOM 977 O LEU A 83 -10.360 4.799 -3.694 1.00 0.83 O ATOM 978 CB LEU A 83 -7.467 3.373 -3.267 1.00 0.47 C ATOM 979 CG LEU A 83 -6.689 3.021 -1.992 1.00 0.39 C ATOM 980 CD1 LEU A 83 -6.626 1.518 -1.776 1.00 0.32 C ATOM 981 CD2 LEU A 83 -5.289 3.604 -2.058 1.00 0.42 C ATOM 0 H LEU A 83 -8.144 1.145 -4.108 1.00 0.44 H new ATOM 0 HA LEU A 83 -9.332 2.956 -2.288 1.00 0.52 H new ATOM 0 HB2 LEU A 83 -6.949 2.935 -4.120 1.00 0.47 H new ATOM 0 HB3 LEU A 83 -7.441 4.455 -3.400 1.00 0.47 H new ATOM 0 HG LEU A 83 -7.218 3.456 -1.144 1.00 0.39 H new ATOM 0 HD11 LEU A 83 -6.068 1.305 -0.864 1.00 0.32 H new ATOM 0 HD12 LEU A 83 -7.637 1.121 -1.684 1.00 0.32 H new ATOM 0 HD13 LEU A 83 -6.128 1.049 -2.625 1.00 0.32 H new ATOM 0 HD21 LEU A 83 -4.745 3.349 -1.149 1.00 0.42 H new ATOM 0 HD22 LEU A 83 -4.765 3.194 -2.921 1.00 0.42 H new ATOM 0 HD23 LEU A 83 -5.350 4.688 -2.152 1.00 0.42 H new ATOM 993 N ASN A 84 -9.779 3.557 -5.476 1.00 0.74 N ATOM 994 CA ASN A 84 -10.576 4.323 -6.432 1.00 0.94 C ATOM 995 C ASN A 84 -12.057 4.257 -6.074 1.00 0.97 C ATOM 996 O ASN A 84 -12.798 5.221 -6.258 1.00 1.15 O ATOM 997 CB ASN A 84 -10.360 3.774 -7.848 1.00 1.04 C ATOM 998 CG ASN A 84 -11.151 4.524 -8.905 1.00 1.27 C ATOM 999 OD1 ASN A 84 -12.307 4.202 -9.180 1.00 1.83 O ATOM 1000 ND2 ASN A 84 -10.526 5.513 -9.522 1.00 1.79 N ATOM 0 H ASN A 84 -9.252 2.789 -5.893 1.00 0.74 H new ATOM 0 HA ASN A 84 -10.255 5.364 -6.394 1.00 0.94 H new ATOM 0 HB2 ASN A 84 -9.299 3.825 -8.093 1.00 1.04 H new ATOM 0 HB3 ASN A 84 -10.642 2.721 -7.870 1.00 1.04 H new ATOM 0 HD21 ASN A 84 -11.002 6.039 -10.254 1.00 1.79 H new ATOM 0 HD22 ASN A 84 -9.568 5.749 -9.265 1.00 1.79 H new ATOM 1007 N SER A 85 -12.474 3.114 -5.549 1.00 0.87 N ATOM 1008 CA SER A 85 -13.865 2.894 -5.189 1.00 0.93 C ATOM 1009 C SER A 85 -14.174 3.472 -3.808 1.00 0.91 C ATOM 1010 O SER A 85 -15.333 3.552 -3.401 1.00 1.01 O ATOM 1011 CB SER A 85 -14.171 1.396 -5.221 1.00 0.98 C ATOM 1012 OG SER A 85 -13.786 0.830 -6.466 1.00 1.50 O ATOM 0 H SER A 85 -11.862 2.319 -5.362 1.00 0.87 H new ATOM 0 HA SER A 85 -14.498 3.407 -5.913 1.00 0.93 H new ATOM 0 HB2 SER A 85 -13.643 0.895 -4.410 1.00 0.98 H new ATOM 0 HB3 SER A 85 -15.236 1.234 -5.056 1.00 0.98 H new ATOM 0 HG SER A 85 -12.811 0.738 -6.496 1.00 1.50 H new ATOM 1018 N ALA A 86 -13.134 3.877 -3.092 1.00 0.88 N ATOM 1019 CA ALA A 86 -13.290 4.404 -1.743 1.00 0.95 C ATOM 1020 C ALA A 86 -13.428 5.924 -1.762 1.00 1.14 C ATOM 1021 O ALA A 86 -12.737 6.634 -1.029 1.00 1.71 O ATOM 1022 CB ALA A 86 -12.114 3.979 -0.875 1.00 1.09 C ATOM 0 H ALA A 86 -12.170 3.850 -3.424 1.00 0.88 H new ATOM 0 HA ALA A 86 -14.205 3.993 -1.316 1.00 0.95 H new ATOM 0 HB1 ALA A 86 -12.241 4.379 0.131 1.00 1.09 H new ATOM 0 HB2 ALA A 86 -12.069 2.891 -0.830 1.00 1.09 H new ATOM 0 HB3 ALA A 86 -11.188 4.363 -1.303 1.00 1.09 H new ATOM 1162 N ALA B 17 -7.880 8.564 -7.155 1.00 0.94 N ATOM 1163 CA ALA B 17 -6.712 8.004 -6.476 1.00 0.81 C ATOM 1164 C ALA B 17 -5.509 7.918 -7.411 1.00 0.69 C ATOM 1165 O ALA B 17 -5.257 6.884 -8.030 1.00 0.71 O ATOM 1166 CB ALA B 17 -7.034 6.639 -5.876 1.00 1.09 C ATOM 0 HA ALA B 17 -6.449 8.680 -5.663 1.00 0.81 H new ATOM 0 HB1 ALA B 17 -6.150 6.243 -5.377 1.00 1.09 H new ATOM 0 HB2 ALA B 17 -7.844 6.741 -5.153 1.00 1.09 H new ATOM 0 HB3 ALA B 17 -7.339 5.956 -6.669 1.00 1.09 H new ATOM 1172 N SER B 18 -4.773 9.015 -7.517 1.00 0.64 N ATOM 1173 CA SER B 18 -3.570 9.052 -8.332 1.00 0.61 C ATOM 1174 C SER B 18 -2.427 8.329 -7.620 1.00 0.50 C ATOM 1175 O SER B 18 -2.592 7.867 -6.488 1.00 0.45 O ATOM 1176 CB SER B 18 -3.179 10.501 -8.620 1.00 0.67 C ATOM 1177 OG SER B 18 -4.315 11.266 -8.989 1.00 1.33 O ATOM 0 H SER B 18 -4.990 9.894 -7.046 1.00 0.64 H new ATOM 0 HA SER B 18 -3.768 8.545 -9.276 1.00 0.61 H new ATOM 0 HB2 SER B 18 -2.712 10.938 -7.738 1.00 0.67 H new ATOM 0 HB3 SER B 18 -2.440 10.531 -9.420 1.00 0.67 H new ATOM 0 HG SER B 18 -4.707 11.676 -8.190 1.00 1.33 H new ATOM 1183 N LYS B 19 -1.271 8.243 -8.271 1.00 0.50 N ATOM 1184 CA LYS B 19 -0.136 7.508 -7.720 1.00 0.43 C ATOM 1185 C LYS B 19 0.246 8.011 -6.323 1.00 0.35 C ATOM 1186 O LYS B 19 0.436 7.212 -5.404 1.00 0.28 O ATOM 1187 CB LYS B 19 1.068 7.581 -8.672 1.00 0.54 C ATOM 1188 CG LYS B 19 1.503 8.995 -9.020 1.00 0.85 C ATOM 1189 CD LYS B 19 2.703 9.006 -9.951 1.00 1.13 C ATOM 1190 CE LYS B 19 3.093 10.424 -10.341 1.00 1.74 C ATOM 1191 NZ LYS B 19 2.017 11.112 -11.104 1.00 2.10 N ATOM 0 H LYS B 19 -1.095 8.672 -9.179 1.00 0.50 H new ATOM 0 HA LYS B 19 -0.439 6.466 -7.618 1.00 0.43 H new ATOM 0 HB2 LYS B 19 1.908 7.056 -8.218 1.00 0.54 H new ATOM 0 HB3 LYS B 19 0.822 7.052 -9.593 1.00 0.54 H new ATOM 0 HG2 LYS B 19 0.674 9.524 -9.490 1.00 0.85 H new ATOM 0 HG3 LYS B 19 1.748 9.535 -8.105 1.00 0.85 H new ATOM 0 HD2 LYS B 19 3.547 8.516 -9.465 1.00 1.13 H new ATOM 0 HD3 LYS B 19 2.474 8.431 -10.848 1.00 1.13 H new ATOM 0 HE2 LYS B 19 3.322 10.996 -9.442 1.00 1.74 H new ATOM 0 HE3 LYS B 19 4.002 10.397 -10.942 1.00 1.74 H new ATOM 0 HZ1 LYS B 19 2.401 11.969 -11.550 1.00 2.10 H new ATOM 0 HZ2 LYS B 19 1.650 10.474 -11.839 1.00 2.10 H new ATOM 0 HZ3 LYS B 19 1.246 11.374 -10.457 1.00 2.10 H new ATOM 1205 N GLU B 20 0.323 9.330 -6.156 1.00 0.41 N ATOM 1206 CA GLU B 20 0.727 9.915 -4.879 1.00 0.42 C ATOM 1207 C GLU B 20 -0.319 9.649 -3.799 1.00 0.34 C ATOM 1208 O GLU B 20 0.018 9.413 -2.640 1.00 0.30 O ATOM 1209 CB GLU B 20 0.966 11.424 -5.023 1.00 0.57 C ATOM 1210 CG GLU B 20 -0.270 12.210 -5.437 1.00 0.64 C ATOM 1211 CD GLU B 20 -0.021 13.702 -5.507 1.00 0.95 C ATOM 1212 OE1 GLU B 20 0.393 14.188 -6.578 1.00 1.58 O ATOM 1213 OE2 GLU B 20 -0.248 14.401 -4.498 1.00 1.49 O ATOM 0 H GLU B 20 0.112 10.011 -6.885 1.00 0.41 H new ATOM 0 HA GLU B 20 1.661 9.441 -4.577 1.00 0.42 H new ATOM 0 HB2 GLU B 20 1.332 11.816 -4.074 1.00 0.57 H new ATOM 0 HB3 GLU B 20 1.752 11.588 -5.760 1.00 0.57 H new ATOM 0 HG2 GLU B 20 -0.610 11.857 -6.411 1.00 0.64 H new ATOM 0 HG3 GLU B 20 -1.074 12.013 -4.728 1.00 0.64 H new ATOM 1220 N GLU B 21 -1.585 9.667 -4.199 1.00 0.37 N ATOM 1221 CA GLU B 21 -2.696 9.454 -3.281 1.00 0.39 C ATOM 1222 C GLU B 21 -2.649 8.049 -2.698 1.00 0.32 C ATOM 1223 O GLU B 21 -2.851 7.845 -1.499 1.00 0.33 O ATOM 1224 CB GLU B 21 -4.015 9.680 -4.016 1.00 0.50 C ATOM 1225 CG GLU B 21 -4.192 11.108 -4.513 1.00 0.62 C ATOM 1226 CD GLU B 21 -5.429 11.284 -5.374 1.00 0.91 C ATOM 1227 OE1 GLU B 21 -6.546 11.072 -4.874 1.00 1.54 O ATOM 1228 OE2 GLU B 21 -5.278 11.622 -6.567 1.00 1.49 O ATOM 0 H GLU B 21 -1.869 9.829 -5.165 1.00 0.37 H new ATOM 0 HA GLU B 21 -2.616 10.164 -2.458 1.00 0.39 H new ATOM 0 HB2 GLU B 21 -4.071 8.998 -4.864 1.00 0.50 H new ATOM 0 HB3 GLU B 21 -4.841 9.430 -3.350 1.00 0.50 H new ATOM 0 HG2 GLU B 21 -4.252 11.780 -3.657 1.00 0.62 H new ATOM 0 HG3 GLU B 21 -3.312 11.400 -5.086 1.00 0.62 H new ATOM 1235 N ILE B 22 -2.365 7.088 -3.558 1.00 0.30 N ATOM 1236 CA ILE B 22 -2.249 5.699 -3.149 1.00 0.29 C ATOM 1237 C ILE B 22 -1.013 5.502 -2.282 1.00 0.24 C ATOM 1238 O ILE B 22 -1.078 4.875 -1.223 1.00 0.26 O ATOM 1239 CB ILE B 22 -2.183 4.777 -4.379 1.00 0.30 C ATOM 1240 CG1 ILE B 22 -3.459 4.947 -5.205 1.00 0.36 C ATOM 1241 CG2 ILE B 22 -1.993 3.322 -3.956 1.00 0.31 C ATOM 1242 CD1 ILE B 22 -3.386 4.319 -6.574 1.00 0.44 C ATOM 0 H ILE B 22 -2.209 7.246 -4.554 1.00 0.30 H new ATOM 0 HA ILE B 22 -3.132 5.439 -2.566 1.00 0.29 H new ATOM 0 HB ILE B 22 -1.324 5.054 -4.991 1.00 0.30 H new ATOM 0 HG12 ILE B 22 -4.295 4.510 -4.659 1.00 0.36 H new ATOM 0 HG13 ILE B 22 -3.671 6.011 -5.314 1.00 0.36 H new ATOM 0 HG21 ILE B 22 -1.949 2.688 -4.842 1.00 0.31 H new ATOM 0 HG22 ILE B 22 -1.064 3.225 -3.394 1.00 0.31 H new ATOM 0 HG23 ILE B 22 -2.830 3.013 -3.330 1.00 0.31 H new ATOM 0 HD11 ILE B 22 -4.327 4.481 -7.099 1.00 0.44 H new ATOM 0 HD12 ILE B 22 -2.572 4.773 -7.139 1.00 0.44 H new ATOM 0 HD13 ILE B 22 -3.206 3.249 -6.474 1.00 0.44 H new ATOM 1249 N ALA B 23 0.106 6.066 -2.725 1.00 0.20 N ATOM 1250 CA ALA B 23 1.362 5.971 -1.991 1.00 0.19 C ATOM 1251 C ALA B 23 1.222 6.555 -0.592 1.00 0.20 C ATOM 1252 O ALA B 23 1.819 6.056 0.364 1.00 0.20 O ATOM 1253 CB ALA B 23 2.468 6.681 -2.748 1.00 0.20 C ATOM 0 H ALA B 23 0.168 6.597 -3.594 1.00 0.20 H new ATOM 0 HA ALA B 23 1.620 4.916 -1.895 1.00 0.19 H new ATOM 0 HB1 ALA B 23 3.400 6.602 -2.189 1.00 0.20 H new ATOM 0 HB2 ALA B 23 2.593 6.220 -3.728 1.00 0.20 H new ATOM 0 HB3 ALA B 23 2.207 7.732 -2.872 1.00 0.20 H new ATOM 1259 N ALA B 24 0.425 7.612 -0.485 1.00 0.22 N ATOM 1260 CA ALA B 24 0.149 8.247 0.792 1.00 0.25 C ATOM 1261 C ALA B 24 -0.431 7.244 1.781 1.00 0.23 C ATOM 1262 O ALA B 24 0.020 7.153 2.918 1.00 0.25 O ATOM 1263 CB ALA B 24 -0.806 9.415 0.602 1.00 0.31 C ATOM 0 H ALA B 24 -0.044 8.049 -1.278 1.00 0.22 H new ATOM 0 HA ALA B 24 1.088 8.623 1.199 1.00 0.25 H new ATOM 0 HB1 ALA B 24 -1.005 9.883 1.566 1.00 0.31 H new ATOM 0 HB2 ALA B 24 -0.357 10.146 -0.070 1.00 0.31 H new ATOM 0 HB3 ALA B 24 -1.741 9.054 0.174 1.00 0.31 H new ATOM 1269 N LEU B 25 -1.418 6.476 1.335 1.00 0.23 N ATOM 1270 CA LEU B 25 -2.032 5.466 2.187 1.00 0.23 C ATOM 1271 C LEU B 25 -1.079 4.305 2.447 1.00 0.22 C ATOM 1272 O LEU B 25 -1.111 3.694 3.517 1.00 0.25 O ATOM 1273 CB LEU B 25 -3.326 4.945 1.571 1.00 0.26 C ATOM 1274 CG LEU B 25 -4.542 5.855 1.731 1.00 0.36 C ATOM 1275 CD1 LEU B 25 -5.763 5.197 1.118 1.00 0.46 C ATOM 1276 CD2 LEU B 25 -4.793 6.172 3.200 1.00 0.43 C ATOM 0 H LEU B 25 -1.808 6.533 0.394 1.00 0.23 H new ATOM 0 HA LEU B 25 -2.262 5.943 3.139 1.00 0.23 H new ATOM 0 HB2 LEU B 25 -3.159 4.774 0.507 1.00 0.26 H new ATOM 0 HB3 LEU B 25 -3.557 3.977 2.017 1.00 0.26 H new ATOM 0 HG LEU B 25 -4.344 6.793 1.212 1.00 0.36 H new ATOM 0 HD11 LEU B 25 -6.627 5.851 1.236 1.00 0.46 H new ATOM 0 HD12 LEU B 25 -5.586 5.017 0.058 1.00 0.46 H new ATOM 0 HD13 LEU B 25 -5.956 4.249 1.619 1.00 0.46 H new ATOM 0 HD21 LEU B 25 -5.664 6.821 3.288 1.00 0.43 H new ATOM 0 HD22 LEU B 25 -4.974 5.246 3.746 1.00 0.43 H new ATOM 0 HD23 LEU B 25 -3.921 6.675 3.618 1.00 0.43 H new ATOM 1288 N ILE B 26 -0.235 4.004 1.470 1.00 0.20 N ATOM 1289 CA ILE B 26 0.733 2.924 1.604 1.00 0.21 C ATOM 1290 C ILE B 26 1.717 3.211 2.740 1.00 0.20 C ATOM 1291 O ILE B 26 1.909 2.379 3.630 1.00 0.22 O ATOM 1292 CB ILE B 26 1.498 2.686 0.282 1.00 0.22 C ATOM 1293 CG1 ILE B 26 0.522 2.250 -0.818 1.00 0.26 C ATOM 1294 CG2 ILE B 26 2.585 1.640 0.478 1.00 0.24 C ATOM 1295 CD1 ILE B 26 1.172 2.036 -2.167 1.00 0.27 C ATOM 0 H ILE B 26 -0.201 4.493 0.575 1.00 0.20 H new ATOM 0 HA ILE B 26 0.179 2.017 1.844 1.00 0.21 H new ATOM 0 HB ILE B 26 1.973 3.619 -0.022 1.00 0.22 H new ATOM 0 HG12 ILE B 26 0.034 1.325 -0.511 1.00 0.26 H new ATOM 0 HG13 ILE B 26 -0.258 3.005 -0.918 1.00 0.26 H new ATOM 0 HG21 ILE B 26 3.114 1.484 -0.462 1.00 0.24 H new ATOM 0 HG22 ILE B 26 3.288 1.983 1.237 1.00 0.24 H new ATOM 0 HG23 ILE B 26 2.133 0.702 0.800 1.00 0.24 H new ATOM 0 HD11 ILE B 26 0.416 1.730 -2.890 1.00 0.27 H new ATOM 0 HD12 ILE B 26 1.636 2.965 -2.499 1.00 0.27 H new ATOM 0 HD13 ILE B 26 1.932 1.259 -2.085 1.00 0.27 H new ATOM 1302 N VAL B 27 2.317 4.398 2.728 1.00 0.18 N ATOM 1303 CA VAL B 27 3.239 4.784 3.791 1.00 0.20 C ATOM 1304 C VAL B 27 2.478 5.050 5.089 1.00 0.22 C ATOM 1305 O VAL B 27 3.023 4.910 6.185 1.00 0.23 O ATOM 1306 CB VAL B 27 4.088 6.022 3.414 1.00 0.21 C ATOM 1307 CG1 VAL B 27 4.946 5.727 2.195 1.00 0.21 C ATOM 1308 CG2 VAL B 27 3.213 7.243 3.167 1.00 0.21 C ATOM 0 H VAL B 27 2.183 5.102 2.002 1.00 0.18 H new ATOM 0 HA VAL B 27 3.924 3.948 3.935 1.00 0.20 H new ATOM 0 HB VAL B 27 4.741 6.246 4.257 1.00 0.21 H new ATOM 0 HG11 VAL B 27 5.536 6.608 1.944 1.00 0.21 H new ATOM 0 HG12 VAL B 27 5.613 4.893 2.413 1.00 0.21 H new ATOM 0 HG13 VAL B 27 4.305 5.468 1.353 1.00 0.21 H new ATOM 0 HG21 VAL B 27 3.842 8.094 2.905 1.00 0.21 H new ATOM 0 HG22 VAL B 27 2.522 7.036 2.350 1.00 0.21 H new ATOM 0 HG23 VAL B 27 2.648 7.474 4.070 1.00 0.21 H new ATOM 1312 N ASN B 28 1.209 5.417 4.951 1.00 0.25 N ATOM 1313 CA ASN B 28 0.323 5.622 6.094 1.00 0.32 C ATOM 1314 C ASN B 28 0.141 4.323 6.875 1.00 0.27 C ATOM 1315 O ASN B 28 0.073 4.328 8.104 1.00 0.28 O ATOM 1316 CB ASN B 28 -1.027 6.162 5.604 1.00 0.44 C ATOM 1317 CG ASN B 28 -2.126 6.098 6.644 1.00 0.67 C ATOM 1318 OD1 ASN B 28 -2.901 5.142 6.680 1.00 1.58 O ATOM 1319 ND2 ASN B 28 -2.207 7.114 7.490 1.00 0.86 N ATOM 0 H ASN B 28 0.765 5.581 4.047 1.00 0.25 H new ATOM 0 HA ASN B 28 0.771 6.352 6.768 1.00 0.32 H new ATOM 0 HB2 ASN B 28 -0.900 7.197 5.287 1.00 0.44 H new ATOM 0 HB3 ASN B 28 -1.337 5.595 4.726 1.00 0.44 H new ATOM 0 HD21 ASN B 28 -2.933 7.124 8.207 1.00 0.86 H new ATOM 0 HD22 ASN B 28 -1.544 7.886 7.425 1.00 0.86 H new ATOM 1326 N TYR B 29 0.090 3.209 6.161 1.00 0.25 N ATOM 1327 CA TYR B 29 -0.030 1.909 6.799 1.00 0.24 C ATOM 1328 C TYR B 29 1.279 1.515 7.477 1.00 0.18 C ATOM 1329 O TYR B 29 1.286 1.085 8.630 1.00 0.19 O ATOM 1330 CB TYR B 29 -0.439 0.840 5.781 1.00 0.28 C ATOM 1331 CG TYR B 29 -0.488 -0.555 6.363 1.00 0.31 C ATOM 1332 CD1 TYR B 29 -1.356 -0.864 7.400 1.00 1.20 C ATOM 1333 CD2 TYR B 29 0.341 -1.560 5.879 1.00 1.23 C ATOM 1334 CE1 TYR B 29 -1.398 -2.134 7.941 1.00 1.22 C ATOM 1335 CE2 TYR B 29 0.302 -2.833 6.412 1.00 1.25 C ATOM 1336 CZ TYR B 29 -0.568 -3.115 7.444 1.00 0.42 C ATOM 1337 OH TYR B 29 -0.607 -4.381 7.982 1.00 0.49 O ATOM 0 H TYR B 29 0.130 3.180 5.142 1.00 0.25 H new ATOM 0 HA TYR B 29 -0.807 1.980 7.560 1.00 0.24 H new ATOM 0 HB2 TYR B 29 -1.419 1.091 5.375 1.00 0.28 H new ATOM 0 HB3 TYR B 29 0.264 0.854 4.948 1.00 0.28 H new ATOM 0 HD1 TYR B 29 -2.010 -0.099 7.791 1.00 1.20 H new ATOM 0 HD2 TYR B 29 1.026 -1.342 5.073 1.00 1.23 H new ATOM 0 HE1 TYR B 29 -2.078 -2.357 8.750 1.00 1.22 H new ATOM 0 HE2 TYR B 29 0.950 -3.604 6.022 1.00 1.25 H new ATOM 0 HH TYR B 29 -1.418 -4.482 8.523 1.00 0.49 H new ATOM 1347 N PHE B 30 2.386 1.678 6.760 1.00 0.16 N ATOM 1348 CA PHE B 30 3.696 1.301 7.283 1.00 0.16 C ATOM 1349 C PHE B 30 4.050 2.104 8.531 1.00 0.18 C ATOM 1350 O PHE B 30 4.606 1.564 9.490 1.00 0.21 O ATOM 1351 CB PHE B 30 4.780 1.498 6.223 1.00 0.19 C ATOM 1352 CG PHE B 30 4.666 0.582 5.034 1.00 0.19 C ATOM 1353 CD1 PHE B 30 4.230 -0.726 5.179 1.00 1.17 C ATOM 1354 CD2 PHE B 30 5.018 1.029 3.771 1.00 1.20 C ATOM 1355 CE1 PHE B 30 4.145 -1.567 4.087 1.00 1.16 C ATOM 1356 CE2 PHE B 30 4.933 0.192 2.676 1.00 1.22 C ATOM 1357 CZ PHE B 30 4.496 -1.108 2.834 1.00 0.25 C ATOM 0 H PHE B 30 2.403 2.068 5.817 1.00 0.16 H new ATOM 0 HA PHE B 30 3.645 0.246 7.553 1.00 0.16 H new ATOM 0 HB2 PHE B 30 4.746 2.530 5.875 1.00 0.19 H new ATOM 0 HB3 PHE B 30 5.755 1.350 6.687 1.00 0.19 H new ATOM 0 HD1 PHE B 30 3.954 -1.091 6.157 1.00 1.17 H new ATOM 0 HD2 PHE B 30 5.363 2.044 3.641 1.00 1.20 H new ATOM 0 HE1 PHE B 30 3.804 -2.584 4.214 1.00 1.16 H new ATOM 0 HE2 PHE B 30 5.208 0.554 1.696 1.00 1.22 H new ATOM 0 HZ PHE B 30 4.429 -1.764 1.979 1.00 0.25 H new ATOM 1367 N SER B 31 3.719 3.390 8.518 1.00 0.21 N ATOM 1368 CA SER B 31 4.001 4.258 9.651 1.00 0.26 C ATOM 1369 C SER B 31 3.229 3.809 10.891 1.00 0.25 C ATOM 1370 O SER B 31 3.712 3.947 12.014 1.00 0.27 O ATOM 1371 CB SER B 31 3.674 5.713 9.302 1.00 0.35 C ATOM 1372 OG SER B 31 2.401 5.818 8.689 1.00 1.15 O ATOM 0 H SER B 31 3.256 3.853 7.736 1.00 0.21 H new ATOM 0 HA SER B 31 5.065 4.189 9.879 1.00 0.26 H new ATOM 0 HB2 SER B 31 3.696 6.321 10.207 1.00 0.35 H new ATOM 0 HB3 SER B 31 4.437 6.110 8.632 1.00 0.35 H new ATOM 0 HG SER B 31 2.480 5.613 7.734 1.00 1.15 H new ATOM 1378 N SER B 32 2.038 3.254 10.679 1.00 0.27 N ATOM 1379 CA SER B 32 1.245 2.709 11.775 1.00 0.30 C ATOM 1380 C SER B 32 1.933 1.488 12.384 1.00 0.28 C ATOM 1381 O SER B 32 1.996 1.340 13.607 1.00 0.36 O ATOM 1382 CB SER B 32 -0.147 2.318 11.274 1.00 0.40 C ATOM 1383 OG SER B 32 -0.783 3.404 10.626 1.00 0.99 O ATOM 0 H SER B 32 1.603 3.170 9.760 1.00 0.27 H new ATOM 0 HA SER B 32 1.150 3.477 12.543 1.00 0.30 H new ATOM 0 HB2 SER B 32 -0.065 1.478 10.585 1.00 0.40 H new ATOM 0 HB3 SER B 32 -0.757 1.984 12.113 1.00 0.40 H new ATOM 0 HG SER B 32 -0.354 3.565 9.760 1.00 0.99 H new ATOM 1389 N ILE B 33 2.467 0.632 11.516 1.00 0.24 N ATOM 1390 CA ILE B 33 3.117 -0.602 11.944 1.00 0.27 C ATOM 1391 C ILE B 33 4.278 -0.312 12.891 1.00 0.26 C ATOM 1392 O ILE B 33 4.377 -0.905 13.968 1.00 0.32 O ATOM 1393 CB ILE B 33 3.655 -1.406 10.742 1.00 0.30 C ATOM 1394 CG1 ILE B 33 2.542 -1.701 9.738 1.00 0.30 C ATOM 1395 CG2 ILE B 33 4.283 -2.706 11.213 1.00 0.44 C ATOM 1396 CD1 ILE B 33 3.021 -2.479 8.531 1.00 0.34 C ATOM 0 H ILE B 33 2.461 0.773 10.506 1.00 0.24 H new ATOM 0 HA ILE B 33 2.358 -1.190 12.460 1.00 0.27 H new ATOM 0 HB ILE B 33 4.415 -0.801 10.247 1.00 0.30 H new ATOM 0 HG12 ILE B 33 1.752 -2.264 10.235 1.00 0.30 H new ATOM 0 HG13 ILE B 33 2.102 -0.761 9.405 1.00 0.30 H new ATOM 0 HG21 ILE B 33 4.658 -3.262 10.353 1.00 0.44 H new ATOM 0 HG22 ILE B 33 5.108 -2.487 11.891 1.00 0.44 H new ATOM 0 HG23 ILE B 33 3.535 -3.304 11.733 1.00 0.44 H new ATOM 0 HD11 ILE B 33 2.183 -2.656 7.856 1.00 0.34 H new ATOM 0 HD12 ILE B 33 3.790 -1.908 8.012 1.00 0.34 H new ATOM 0 HD13 ILE B 33 3.435 -3.434 8.855 1.00 0.34 H new ATOM 1403 N VAL B 34 5.150 0.604 12.491 1.00 0.25 N ATOM 1404 CA VAL B 34 6.325 0.930 13.290 1.00 0.31 C ATOM 1405 C VAL B 34 5.949 1.755 14.518 1.00 0.37 C ATOM 1406 O VAL B 34 6.609 1.672 15.551 1.00 0.47 O ATOM 1407 CB VAL B 34 7.399 1.681 12.468 1.00 0.34 C ATOM 1408 CG1 VAL B 34 7.947 0.791 11.365 1.00 0.35 C ATOM 1409 CG2 VAL B 34 6.844 2.970 11.881 1.00 0.33 C ATOM 0 H VAL B 34 5.067 1.132 11.623 1.00 0.25 H new ATOM 0 HA VAL B 34 6.749 -0.020 13.616 1.00 0.31 H new ATOM 0 HB VAL B 34 8.213 1.942 13.144 1.00 0.34 H new ATOM 0 HG11 VAL B 34 8.701 1.337 10.798 1.00 0.35 H new ATOM 0 HG12 VAL B 34 8.398 -0.098 11.805 1.00 0.35 H new ATOM 0 HG13 VAL B 34 7.136 0.495 10.699 1.00 0.35 H new ATOM 0 HG21 VAL B 34 7.623 3.474 11.309 1.00 0.33 H new ATOM 0 HG22 VAL B 34 6.004 2.739 11.225 1.00 0.33 H new ATOM 0 HG23 VAL B 34 6.507 3.621 12.687 1.00 0.33 H new ATOM 1413 N GLU B 35 4.875 2.530 14.410 1.00 0.35 N ATOM 1414 CA GLU B 35 4.442 3.393 15.503 1.00 0.46 C ATOM 1415 C GLU B 35 4.017 2.571 16.717 1.00 0.51 C ATOM 1416 O GLU B 35 4.447 2.839 17.839 1.00 0.62 O ATOM 1417 CB GLU B 35 3.295 4.297 15.047 1.00 0.51 C ATOM 1418 CG GLU B 35 2.824 5.270 16.113 1.00 0.70 C ATOM 1419 CD GLU B 35 1.821 6.273 15.586 1.00 1.49 C ATOM 1420 OE1 GLU B 35 0.616 5.946 15.522 1.00 2.19 O ATOM 1421 OE2 GLU B 35 2.232 7.399 15.239 1.00 2.22 O ATOM 0 H GLU B 35 4.289 2.578 13.577 1.00 0.35 H new ATOM 0 HA GLU B 35 5.287 4.016 15.795 1.00 0.46 H new ATOM 0 HB2 GLU B 35 3.614 4.860 14.170 1.00 0.51 H new ATOM 0 HB3 GLU B 35 2.455 3.675 14.738 1.00 0.51 H new ATOM 0 HG2 GLU B 35 2.376 4.712 16.936 1.00 0.70 H new ATOM 0 HG3 GLU B 35 3.684 5.802 16.519 1.00 0.70 H new ATOM 1428 N LYS B 36 3.189 1.561 16.489 1.00 0.47 N ATOM 1429 CA LYS B 36 2.697 0.734 17.582 1.00 0.55 C ATOM 1430 C LYS B 36 3.615 -0.461 17.828 1.00 0.51 C ATOM 1431 O LYS B 36 3.336 -1.307 18.679 1.00 0.61 O ATOM 1432 CB LYS B 36 1.275 0.241 17.298 1.00 0.67 C ATOM 1433 CG LYS B 36 1.170 -0.647 16.068 1.00 0.71 C ATOM 1434 CD LYS B 36 -0.199 -1.300 15.957 1.00 0.98 C ATOM 1435 CE LYS B 36 -0.482 -2.203 17.148 1.00 1.42 C ATOM 1436 NZ LYS B 36 -1.762 -2.942 16.998 1.00 2.08 N ATOM 0 H LYS B 36 2.846 1.296 15.566 1.00 0.47 H new ATOM 0 HA LYS B 36 2.685 1.355 18.478 1.00 0.55 H new ATOM 0 HB2 LYS B 36 0.911 -0.310 18.165 1.00 0.67 H new ATOM 0 HB3 LYS B 36 0.620 1.103 17.170 1.00 0.67 H new ATOM 0 HG2 LYS B 36 1.363 -0.054 15.174 1.00 0.71 H new ATOM 0 HG3 LYS B 36 1.938 -1.419 16.111 1.00 0.71 H new ATOM 0 HD2 LYS B 36 -0.967 -0.529 15.892 1.00 0.98 H new ATOM 0 HD3 LYS B 36 -0.253 -1.882 15.037 1.00 0.98 H new ATOM 0 HE2 LYS B 36 0.335 -2.915 17.265 1.00 1.42 H new ATOM 0 HE3 LYS B 36 -0.515 -1.603 18.057 1.00 1.42 H new ATOM 0 HZ1 LYS B 36 -2.129 -3.194 17.938 1.00 2.08 H new ATOM 0 HZ2 LYS B 36 -2.454 -2.342 16.505 1.00 2.08 H new ATOM 0 HZ3 LYS B 36 -1.600 -3.808 16.446 1.00 2.08 H new ATOM 1450 N LYS B 37 4.710 -0.511 17.069 1.00 0.48 N ATOM 1451 CA LYS B 37 5.678 -1.604 17.144 1.00 0.55 C ATOM 1452 C LYS B 37 4.996 -2.948 16.879 1.00 0.59 C ATOM 1453 O LYS B 37 5.086 -3.881 17.676 1.00 0.76 O ATOM 1454 CB LYS B 37 6.381 -1.618 18.507 1.00 0.72 C ATOM 1455 CG LYS B 37 7.621 -2.498 18.544 1.00 1.19 C ATOM 1456 CD LYS B 37 8.170 -2.651 19.954 1.00 1.42 C ATOM 1457 CE LYS B 37 7.238 -3.469 20.835 1.00 1.99 C ATOM 1458 NZ LYS B 37 7.037 -4.846 20.309 1.00 2.60 N ATOM 0 H LYS B 37 4.950 0.206 16.385 1.00 0.48 H new ATOM 0 HA LYS B 37 6.432 -1.442 16.373 1.00 0.55 H new ATOM 0 HB2 LYS B 37 6.661 -0.599 18.772 1.00 0.72 H new ATOM 0 HB3 LYS B 37 5.678 -1.963 19.265 1.00 0.72 H new ATOM 0 HG2 LYS B 37 7.380 -3.481 18.140 1.00 1.19 H new ATOM 0 HG3 LYS B 37 8.389 -2.069 17.901 1.00 1.19 H new ATOM 0 HD2 LYS B 37 9.148 -3.131 19.914 1.00 1.42 H new ATOM 0 HD3 LYS B 37 8.317 -1.666 20.396 1.00 1.42 H new ATOM 0 HE2 LYS B 37 7.648 -3.523 21.844 1.00 1.99 H new ATOM 0 HE3 LYS B 37 6.274 -2.965 20.909 1.00 1.99 H new ATOM 0 HZ1 LYS B 37 6.646 -5.451 21.059 1.00 2.60 H new ATOM 0 HZ2 LYS B 37 6.375 -4.818 19.507 1.00 2.60 H new ATOM 0 HZ3 LYS B 37 7.949 -5.233 19.992 1.00 2.60 H new ATOM 1472 N GLU B 38 4.319 -3.036 15.744 1.00 0.54 N ATOM 1473 CA GLU B 38 3.594 -4.243 15.370 1.00 0.69 C ATOM 1474 C GLU B 38 4.545 -5.189 14.652 1.00 0.69 C ATOM 1475 O GLU B 38 4.314 -6.393 14.558 1.00 1.03 O ATOM 1476 CB GLU B 38 2.415 -3.879 14.457 1.00 0.79 C ATOM 1477 CG GLU B 38 1.508 -5.047 14.101 1.00 1.35 C ATOM 1478 CD GLU B 38 0.699 -5.542 15.282 1.00 1.41 C ATOM 1479 OE1 GLU B 38 -0.393 -4.991 15.532 1.00 1.86 O ATOM 1480 OE2 GLU B 38 1.146 -6.488 15.962 1.00 2.11 O ATOM 0 H GLU B 38 4.256 -2.281 15.061 1.00 0.54 H new ATOM 0 HA GLU B 38 3.203 -4.732 16.262 1.00 0.69 H new ATOM 0 HB2 GLU B 38 1.819 -3.108 14.945 1.00 0.79 H new ATOM 0 HB3 GLU B 38 2.805 -3.445 13.536 1.00 0.79 H new ATOM 0 HG2 GLU B 38 0.830 -4.745 13.303 1.00 1.35 H new ATOM 0 HG3 GLU B 38 2.113 -5.866 13.712 1.00 1.35 H new ATOM 1487 N ILE B 39 5.631 -4.615 14.170 1.00 0.42 N ATOM 1488 CA ILE B 39 6.619 -5.353 13.401 1.00 0.43 C ATOM 1489 C ILE B 39 7.922 -5.464 14.193 1.00 0.48 C ATOM 1490 O ILE B 39 8.143 -4.699 15.134 1.00 0.52 O ATOM 1491 CB ILE B 39 6.863 -4.650 12.047 1.00 0.38 C ATOM 1492 CG1 ILE B 39 7.562 -5.580 11.057 1.00 0.46 C ATOM 1493 CG2 ILE B 39 7.669 -3.371 12.241 1.00 0.36 C ATOM 1494 CD1 ILE B 39 7.609 -5.023 9.650 1.00 0.47 C ATOM 0 H ILE B 39 5.854 -3.628 14.299 1.00 0.42 H new ATOM 0 HA ILE B 39 6.246 -6.359 13.208 1.00 0.43 H new ATOM 0 HB ILE B 39 5.891 -4.386 11.630 1.00 0.38 H new ATOM 0 HG12 ILE B 39 8.579 -5.768 11.401 1.00 0.46 H new ATOM 0 HG13 ILE B 39 7.047 -6.540 11.044 1.00 0.46 H new ATOM 0 HG21 ILE B 39 7.829 -2.892 11.275 1.00 0.36 H new ATOM 0 HG22 ILE B 39 7.123 -2.693 12.896 1.00 0.36 H new ATOM 0 HG23 ILE B 39 8.632 -3.613 12.691 1.00 0.36 H new ATOM 0 HD11 ILE B 39 8.118 -5.731 8.995 1.00 0.47 H new ATOM 0 HD12 ILE B 39 6.593 -4.860 9.289 1.00 0.47 H new ATOM 0 HD13 ILE B 39 8.150 -4.076 9.651 1.00 0.47 H new ATOM 1501 N SER B 40 8.763 -6.425 13.831 1.00 0.55 N ATOM 1502 CA SER B 40 10.019 -6.650 14.534 1.00 0.62 C ATOM 1503 C SER B 40 11.078 -5.623 14.121 1.00 0.53 C ATOM 1504 O SER B 40 10.878 -4.874 13.164 1.00 0.48 O ATOM 1505 CB SER B 40 10.515 -8.067 14.260 1.00 0.77 C ATOM 1506 OG SER B 40 9.500 -9.019 14.536 1.00 1.82 O ATOM 0 H SER B 40 8.597 -7.063 13.052 1.00 0.55 H new ATOM 0 HA SER B 40 9.842 -6.531 15.603 1.00 0.62 H new ATOM 0 HB2 SER B 40 10.827 -8.153 13.219 1.00 0.77 H new ATOM 0 HB3 SER B 40 11.392 -8.275 14.874 1.00 0.77 H new ATOM 0 HG SER B 40 9.838 -9.920 14.352 1.00 1.82 H new ATOM 1512 N GLU B 41 12.198 -5.609 14.843 1.00 0.59 N ATOM 1513 CA GLU B 41 13.252 -4.609 14.647 1.00 0.60 C ATOM 1514 C GLU B 41 13.696 -4.504 13.189 1.00 0.49 C ATOM 1515 O GLU B 41 13.701 -3.413 12.613 1.00 0.46 O ATOM 1516 CB GLU B 41 14.458 -4.937 15.529 1.00 0.78 C ATOM 1517 CG GLU B 41 14.175 -4.812 17.017 1.00 1.08 C ATOM 1518 CD GLU B 41 13.777 -3.408 17.414 1.00 1.44 C ATOM 1519 OE1 GLU B 41 14.676 -2.560 17.587 1.00 1.99 O ATOM 1520 OE2 GLU B 41 12.565 -3.145 17.555 1.00 2.19 O ATOM 0 H GLU B 41 12.402 -6.287 15.578 1.00 0.59 H new ATOM 0 HA GLU B 41 12.832 -3.644 14.932 1.00 0.60 H new ATOM 0 HB2 GLU B 41 14.789 -5.953 15.315 1.00 0.78 H new ATOM 0 HB3 GLU B 41 15.281 -4.272 15.267 1.00 0.78 H new ATOM 0 HG2 GLU B 41 13.378 -5.504 17.292 1.00 1.08 H new ATOM 0 HG3 GLU B 41 15.061 -5.108 17.578 1.00 1.08 H new ATOM 1527 N ASP B 42 14.058 -5.637 12.592 1.00 0.52 N ATOM 1528 CA ASP B 42 14.554 -5.651 11.216 1.00 0.51 C ATOM 1529 C ASP B 42 13.502 -5.117 10.257 1.00 0.43 C ATOM 1530 O ASP B 42 13.804 -4.316 9.370 1.00 0.47 O ATOM 1531 CB ASP B 42 14.968 -7.061 10.784 1.00 0.61 C ATOM 1532 CG ASP B 42 16.144 -7.593 11.572 1.00 1.49 C ATOM 1533 OD1 ASP B 42 17.257 -7.054 11.426 1.00 2.29 O ATOM 1534 OD2 ASP B 42 15.960 -8.549 12.353 1.00 2.20 O ATOM 0 H ASP B 42 14.018 -6.554 13.036 1.00 0.52 H new ATOM 0 HA ASP B 42 15.432 -5.005 11.184 1.00 0.51 H new ATOM 0 HB2 ASP B 42 14.121 -7.736 10.904 1.00 0.61 H new ATOM 0 HB3 ASP B 42 15.221 -7.052 9.724 1.00 0.61 H new ATOM 1539 N GLY B 43 12.268 -5.562 10.450 1.00 0.39 N ATOM 1540 CA GLY B 43 11.173 -5.119 9.613 1.00 0.37 C ATOM 1541 C GLY B 43 10.907 -3.634 9.751 1.00 0.34 C ATOM 1542 O GLY B 43 10.633 -2.958 8.761 1.00 0.34 O ATOM 0 H GLY B 43 12.005 -6.227 11.177 1.00 0.39 H new ATOM 0 HA2 GLY B 43 11.398 -5.350 8.572 1.00 0.37 H new ATOM 0 HA3 GLY B 43 10.272 -5.673 9.875 1.00 0.37 H new ATOM 1546 N ALA B 44 10.994 -3.125 10.974 1.00 0.33 N ATOM 1547 CA ALA B 44 10.780 -1.707 11.228 1.00 0.33 C ATOM 1548 C ALA B 44 11.815 -0.869 10.487 1.00 0.32 C ATOM 1549 O ALA B 44 11.477 0.106 9.815 1.00 0.31 O ATOM 1550 CB ALA B 44 10.833 -1.419 12.720 1.00 0.38 C ATOM 0 H ALA B 44 11.211 -3.674 11.806 1.00 0.33 H new ATOM 0 HA ALA B 44 9.790 -1.438 10.859 1.00 0.33 H new ATOM 0 HB1 ALA B 44 10.671 -0.355 12.891 1.00 0.38 H new ATOM 0 HB2 ALA B 44 10.057 -1.991 13.229 1.00 0.38 H new ATOM 0 HB3 ALA B 44 11.809 -1.705 13.111 1.00 0.38 H new ATOM 1556 N ASP B 45 13.077 -1.268 10.604 1.00 0.36 N ATOM 1557 CA ASP B 45 14.168 -0.593 9.906 1.00 0.38 C ATOM 1558 C ASP B 45 13.991 -0.709 8.397 1.00 0.36 C ATOM 1559 O ASP B 45 14.276 0.229 7.649 1.00 0.37 O ATOM 1560 CB ASP B 45 15.512 -1.194 10.316 1.00 0.48 C ATOM 1561 CG ASP B 45 16.671 -0.609 9.534 1.00 1.11 C ATOM 1562 OD1 ASP B 45 17.178 0.465 9.923 1.00 1.81 O ATOM 1563 OD2 ASP B 45 17.082 -1.228 8.530 1.00 1.84 O ATOM 0 H ASP B 45 13.371 -2.058 11.178 1.00 0.36 H new ATOM 0 HA ASP B 45 14.150 0.461 10.182 1.00 0.38 H new ATOM 0 HB2 ASP B 45 15.673 -1.024 11.380 1.00 0.48 H new ATOM 0 HB3 ASP B 45 15.485 -2.273 10.166 1.00 0.48 H new ATOM 1568 N SER B 46 13.514 -1.865 7.964 1.00 0.37 N ATOM 1569 CA SER B 46 13.258 -2.113 6.557 1.00 0.40 C ATOM 1570 C SER B 46 12.194 -1.144 6.040 1.00 0.36 C ATOM 1571 O SER B 46 12.354 -0.530 4.988 1.00 0.38 O ATOM 1572 CB SER B 46 12.813 -3.566 6.355 1.00 0.50 C ATOM 1573 OG SER B 46 12.787 -3.918 4.986 1.00 0.98 O ATOM 0 H SER B 46 13.295 -2.652 8.575 1.00 0.37 H new ATOM 0 HA SER B 46 14.175 -1.951 5.991 1.00 0.40 H new ATOM 0 HB2 SER B 46 13.490 -4.232 6.889 1.00 0.50 H new ATOM 0 HB3 SER B 46 11.822 -3.707 6.786 1.00 0.50 H new ATOM 0 HG SER B 46 12.015 -3.496 4.554 1.00 0.98 H new ATOM 1579 N LEU B 47 11.123 -0.975 6.809 1.00 0.32 N ATOM 1580 CA LEU B 47 10.051 -0.061 6.431 1.00 0.30 C ATOM 1581 C LEU B 47 10.557 1.374 6.327 1.00 0.27 C ATOM 1582 O LEU B 47 9.962 2.200 5.640 1.00 0.28 O ATOM 1583 CB LEU B 47 8.895 -0.138 7.433 1.00 0.30 C ATOM 1584 CG LEU B 47 8.133 -1.465 7.449 1.00 0.35 C ATOM 1585 CD1 LEU B 47 7.024 -1.433 8.487 1.00 0.39 C ATOM 1586 CD2 LEU B 47 7.563 -1.770 6.071 1.00 0.41 C ATOM 0 H LEU B 47 10.975 -1.458 7.695 1.00 0.32 H new ATOM 0 HA LEU B 47 9.689 -0.368 5.450 1.00 0.30 H new ATOM 0 HB2 LEU B 47 9.289 0.048 8.432 1.00 0.30 H new ATOM 0 HB3 LEU B 47 8.191 0.664 7.213 1.00 0.30 H new ATOM 0 HG LEU B 47 8.832 -2.257 7.717 1.00 0.35 H new ATOM 0 HD11 LEU B 47 6.494 -2.386 8.483 1.00 0.39 H new ATOM 0 HD12 LEU B 47 7.454 -1.261 9.474 1.00 0.39 H new ATOM 0 HD13 LEU B 47 6.327 -0.629 8.250 1.00 0.39 H new ATOM 0 HD21 LEU B 47 7.025 -2.717 6.101 1.00 0.41 H new ATOM 0 HD22 LEU B 47 6.880 -0.974 5.775 1.00 0.41 H new ATOM 0 HD23 LEU B 47 8.376 -1.838 5.348 1.00 0.41 H new ATOM 1598 N ASN B 48 11.664 1.663 6.996 1.00 0.26 N ATOM 1599 CA ASN B 48 12.245 2.998 6.956 1.00 0.26 C ATOM 1600 C ASN B 48 12.874 3.282 5.597 1.00 0.27 C ATOM 1601 O ASN B 48 12.689 4.364 5.037 1.00 0.32 O ATOM 1602 CB ASN B 48 13.286 3.177 8.066 1.00 0.28 C ATOM 1603 CG ASN B 48 12.683 3.128 9.457 1.00 0.33 C ATOM 1604 OD1 ASN B 48 13.327 2.691 10.411 1.00 0.48 O ATOM 1605 ND2 ASN B 48 11.448 3.592 9.590 1.00 0.40 N ATOM 0 H ASN B 48 12.176 0.994 7.571 1.00 0.26 H new ATOM 0 HA ASN B 48 11.438 3.712 7.119 1.00 0.26 H new ATOM 0 HB2 ASN B 48 14.043 2.397 7.976 1.00 0.28 H new ATOM 0 HB3 ASN B 48 13.794 4.132 7.930 1.00 0.28 H new ATOM 0 HD21 ASN B 48 11.000 3.595 10.506 1.00 0.40 H new ATOM 0 HD22 ASN B 48 10.946 3.946 8.776 1.00 0.40 H new ATOM 1612 N VAL B 49 13.606 2.312 5.049 1.00 0.27 N ATOM 1613 CA VAL B 49 14.195 2.487 3.727 1.00 0.29 C ATOM 1614 C VAL B 49 13.094 2.468 2.670 1.00 0.29 C ATOM 1615 O VAL B 49 13.187 3.146 1.647 1.00 0.32 O ATOM 1616 CB VAL B 49 15.284 1.428 3.398 1.00 0.32 C ATOM 1617 CG1 VAL B 49 14.699 0.031 3.261 1.00 0.34 C ATOM 1618 CG2 VAL B 49 16.043 1.809 2.136 1.00 0.36 C ATOM 0 H VAL B 49 13.801 1.414 5.492 1.00 0.27 H new ATOM 0 HA VAL B 49 14.699 3.453 3.724 1.00 0.29 H new ATOM 0 HB VAL B 49 15.979 1.412 4.237 1.00 0.32 H new ATOM 0 HG11 VAL B 49 15.496 -0.676 3.031 1.00 0.34 H new ATOM 0 HG12 VAL B 49 14.218 -0.256 4.196 1.00 0.34 H new ATOM 0 HG13 VAL B 49 13.963 0.022 2.457 1.00 0.34 H new ATOM 0 HG21 VAL B 49 16.800 1.054 1.925 1.00 0.36 H new ATOM 0 HG22 VAL B 49 15.348 1.871 1.298 1.00 0.36 H new ATOM 0 HG23 VAL B 49 16.525 2.776 2.279 1.00 0.36 H new ATOM 1622 N ALA B 50 12.036 1.711 2.949 1.00 0.30 N ATOM 1623 CA ALA B 50 10.865 1.683 2.086 1.00 0.34 C ATOM 1624 C ALA B 50 10.157 3.031 2.105 1.00 0.33 C ATOM 1625 O ALA B 50 9.614 3.470 1.095 1.00 0.37 O ATOM 1626 CB ALA B 50 9.907 0.584 2.516 1.00 0.37 C ATOM 0 H ALA B 50 11.968 1.108 3.769 1.00 0.30 H new ATOM 0 HA ALA B 50 11.197 1.475 1.069 1.00 0.34 H new ATOM 0 HB1 ALA B 50 9.038 0.580 1.858 1.00 0.37 H new ATOM 0 HB2 ALA B 50 10.411 -0.381 2.458 1.00 0.37 H new ATOM 0 HB3 ALA B 50 9.584 0.763 3.542 1.00 0.37 H new ATOM 1632 N MET B 51 10.178 3.686 3.262 1.00 0.34 N ATOM 1633 CA MET B 51 9.555 4.993 3.414 1.00 0.39 C ATOM 1634 C MET B 51 10.199 5.988 2.461 1.00 0.31 C ATOM 1635 O MET B 51 9.518 6.643 1.672 1.00 0.30 O ATOM 1636 CB MET B 51 9.694 5.498 4.855 1.00 0.52 C ATOM 1637 CG MET B 51 8.512 6.335 5.318 1.00 0.62 C ATOM 1638 SD MET B 51 7.354 5.401 6.344 1.00 0.65 S ATOM 1639 CE MET B 51 7.215 3.871 5.421 1.00 0.41 C ATOM 0 H MET B 51 10.621 3.330 4.109 1.00 0.34 H new ATOM 0 HA MET B 51 8.495 4.896 3.179 1.00 0.39 H new ATOM 0 HB2 MET B 51 9.808 4.644 5.522 1.00 0.52 H new ATOM 0 HB3 MET B 51 10.605 6.091 4.938 1.00 0.52 H new ATOM 0 HG2 MET B 51 8.878 7.194 5.881 1.00 0.62 H new ATOM 0 HG3 MET B 51 7.986 6.726 4.447 1.00 0.62 H new ATOM 0 HE1 MET B 51 6.995 3.052 6.106 1.00 0.41 H new ATOM 0 HE2 MET B 51 6.411 3.959 4.690 1.00 0.41 H new ATOM 0 HE3 MET B 51 8.154 3.671 4.905 1.00 0.41 H new ATOM 1649 N ASP B 52 11.522 6.077 2.535 1.00 0.31 N ATOM 1650 CA ASP B 52 12.286 6.949 1.648 1.00 0.32 C ATOM 1651 C ASP B 52 12.118 6.515 0.196 1.00 0.28 C ATOM 1652 O ASP B 52 11.998 7.348 -0.700 1.00 0.30 O ATOM 1653 CB ASP B 52 13.765 6.930 2.031 1.00 0.42 C ATOM 1654 CG ASP B 52 14.628 7.724 1.069 1.00 1.16 C ATOM 1655 OD1 ASP B 52 14.602 8.970 1.132 1.00 1.99 O ATOM 1656 OD2 ASP B 52 15.347 7.100 0.256 1.00 1.84 O ATOM 0 H ASP B 52 12.090 5.555 3.202 1.00 0.31 H new ATOM 0 HA ASP B 52 11.906 7.965 1.755 1.00 0.32 H new ATOM 0 HB2 ASP B 52 13.881 7.335 3.036 1.00 0.42 H new ATOM 0 HB3 ASP B 52 14.115 5.898 2.061 1.00 0.42 H new ATOM 1661 N CYS B 53 12.095 5.206 -0.015 1.00 0.27 N ATOM 1662 CA CYS B 53 11.895 4.629 -1.338 1.00 0.27 C ATOM 1663 C CYS B 53 10.611 5.147 -1.978 1.00 0.28 C ATOM 1664 O CYS B 53 10.640 5.725 -3.063 1.00 0.36 O ATOM 1665 CB CYS B 53 11.846 3.105 -1.234 1.00 0.36 C ATOM 1666 SG CYS B 53 11.271 2.278 -2.728 1.00 1.05 S ATOM 0 H CYS B 53 12.214 4.514 0.725 1.00 0.27 H new ATOM 0 HA CYS B 53 12.732 4.926 -1.970 1.00 0.27 H new ATOM 0 HB2 CYS B 53 12.842 2.737 -0.990 1.00 0.36 H new ATOM 0 HB3 CYS B 53 11.193 2.830 -0.406 1.00 0.36 H new ATOM 0 HG CYS B 53 12.209 1.501 -3.182 1.00 1.05 H new ATOM 1672 N ILE B 54 9.492 4.947 -1.293 1.00 0.26 N ATOM 1673 CA ILE B 54 8.193 5.372 -1.799 1.00 0.29 C ATOM 1674 C ILE B 54 8.158 6.890 -1.979 1.00 0.30 C ATOM 1675 O ILE B 54 7.593 7.399 -2.951 1.00 0.33 O ATOM 1676 CB ILE B 54 7.057 4.917 -0.853 1.00 0.29 C ATOM 1677 CG1 ILE B 54 7.090 3.393 -0.694 1.00 0.31 C ATOM 1678 CG2 ILE B 54 5.699 5.362 -1.381 1.00 0.33 C ATOM 1679 CD1 ILE B 54 6.158 2.868 0.375 1.00 0.33 C ATOM 0 H ILE B 54 9.458 4.491 -0.381 1.00 0.26 H new ATOM 0 HA ILE B 54 8.038 4.902 -2.770 1.00 0.29 H new ATOM 0 HB ILE B 54 7.211 5.382 0.121 1.00 0.29 H new ATOM 0 HG12 ILE B 54 6.830 2.932 -1.647 1.00 0.31 H new ATOM 0 HG13 ILE B 54 8.108 3.084 -0.458 1.00 0.31 H new ATOM 0 HG21 ILE B 54 4.917 5.030 -0.698 1.00 0.33 H new ATOM 0 HG22 ILE B 54 5.677 6.449 -1.457 1.00 0.33 H new ATOM 0 HG23 ILE B 54 5.531 4.926 -2.366 1.00 0.33 H new ATOM 0 HD11 ILE B 54 6.239 1.782 0.427 1.00 0.33 H new ATOM 0 HD12 ILE B 54 6.430 3.299 1.339 1.00 0.33 H new ATOM 0 HD13 ILE B 54 5.132 3.144 0.131 1.00 0.33 H new ATOM 1686 N SER B 55 8.793 7.605 -1.056 1.00 0.30 N ATOM 1687 CA SER B 55 8.885 9.058 -1.138 1.00 0.36 C ATOM 1688 C SER B 55 9.605 9.480 -2.420 1.00 0.38 C ATOM 1689 O SER B 55 9.114 10.323 -3.170 1.00 0.41 O ATOM 1690 CB SER B 55 9.622 9.613 0.085 1.00 0.40 C ATOM 1691 OG SER B 55 8.986 9.219 1.293 1.00 0.80 O ATOM 0 H SER B 55 9.253 7.200 -0.240 1.00 0.30 H new ATOM 0 HA SER B 55 7.874 9.466 -1.157 1.00 0.36 H new ATOM 0 HB2 SER B 55 10.653 9.260 0.082 1.00 0.40 H new ATOM 0 HB3 SER B 55 9.658 10.701 0.028 1.00 0.40 H new ATOM 0 HG SER B 55 9.189 8.278 1.478 1.00 0.80 H new ATOM 1697 N GLU B 56 10.758 8.867 -2.674 1.00 0.39 N ATOM 1698 CA GLU B 56 11.560 9.167 -3.855 1.00 0.48 C ATOM 1699 C GLU B 56 10.841 8.732 -5.131 1.00 0.42 C ATOM 1700 O GLU B 56 10.742 9.494 -6.091 1.00 0.45 O ATOM 1701 CB GLU B 56 12.914 8.456 -3.750 1.00 0.59 C ATOM 1702 CG GLU B 56 13.843 8.690 -4.933 1.00 0.82 C ATOM 1703 CD GLU B 56 14.287 10.131 -5.057 1.00 1.81 C ATOM 1704 OE1 GLU B 56 15.138 10.565 -4.254 1.00 2.38 O ATOM 1705 OE2 GLU B 56 13.788 10.838 -5.955 1.00 2.66 O ATOM 0 H GLU B 56 11.161 8.151 -2.069 1.00 0.39 H new ATOM 0 HA GLU B 56 11.715 10.245 -3.904 1.00 0.48 H new ATOM 0 HB2 GLU B 56 13.414 8.787 -2.840 1.00 0.59 H new ATOM 0 HB3 GLU B 56 12.741 7.385 -3.647 1.00 0.59 H new ATOM 0 HG2 GLU B 56 14.721 8.052 -4.831 1.00 0.82 H new ATOM 0 HG3 GLU B 56 13.337 8.391 -5.851 1.00 0.82 H new ATOM 1712 N ALA B 57 10.329 7.507 -5.120 1.00 0.38 N ATOM 1713 CA ALA B 57 9.704 6.913 -6.297 1.00 0.39 C ATOM 1714 C ALA B 57 8.490 7.709 -6.768 1.00 0.33 C ATOM 1715 O ALA B 57 8.305 7.916 -7.968 1.00 0.38 O ATOM 1716 CB ALA B 57 9.310 5.473 -6.004 1.00 0.41 C ATOM 0 H ALA B 57 10.335 6.900 -4.300 1.00 0.38 H new ATOM 0 HA ALA B 57 10.436 6.934 -7.104 1.00 0.39 H new ATOM 0 HB1 ALA B 57 8.844 5.036 -6.887 1.00 0.41 H new ATOM 0 HB2 ALA B 57 10.199 4.899 -5.741 1.00 0.41 H new ATOM 0 HB3 ALA B 57 8.605 5.451 -5.173 1.00 0.41 H new ATOM 1722 N PHE B 58 7.667 8.155 -5.829 1.00 0.28 N ATOM 1723 CA PHE B 58 6.443 8.870 -6.180 1.00 0.27 C ATOM 1724 C PHE B 58 6.647 10.381 -6.192 1.00 0.30 C ATOM 1725 O PHE B 58 5.858 11.119 -6.784 1.00 0.38 O ATOM 1726 CB PHE B 58 5.316 8.500 -5.221 1.00 0.27 C ATOM 1727 CG PHE B 58 4.790 7.107 -5.417 1.00 0.25 C ATOM 1728 CD1 PHE B 58 5.466 6.015 -4.902 1.00 1.24 C ATOM 1729 CD2 PHE B 58 3.612 6.897 -6.110 1.00 1.18 C ATOM 1730 CE1 PHE B 58 4.977 4.736 -5.078 1.00 1.21 C ATOM 1731 CE2 PHE B 58 3.116 5.621 -6.288 1.00 1.22 C ATOM 1732 CZ PHE B 58 3.800 4.539 -5.770 1.00 0.29 C ATOM 0 H PHE B 58 7.820 8.037 -4.827 1.00 0.28 H new ATOM 0 HA PHE B 58 6.169 8.566 -7.190 1.00 0.27 H new ATOM 0 HB2 PHE B 58 5.674 8.603 -4.197 1.00 0.27 H new ATOM 0 HB3 PHE B 58 4.497 9.209 -5.345 1.00 0.27 H new ATOM 0 HD1 PHE B 58 6.386 6.165 -4.357 1.00 1.24 H new ATOM 0 HD2 PHE B 58 3.074 7.741 -6.517 1.00 1.18 H new ATOM 0 HE1 PHE B 58 5.515 3.891 -4.675 1.00 1.21 H new ATOM 0 HE2 PHE B 58 2.195 5.469 -6.831 1.00 1.22 H new ATOM 0 HZ PHE B 58 3.414 3.540 -5.906 1.00 0.29 H new ATOM 1742 N GLY B 59 7.700 10.838 -5.530 1.00 0.33 N ATOM 1743 CA GLY B 59 8.043 12.246 -5.560 1.00 0.38 C ATOM 1744 C GLY B 59 7.300 13.064 -4.522 1.00 0.37 C ATOM 1745 O GLY B 59 6.750 14.120 -4.835 1.00 0.42 O ATOM 0 H GLY B 59 8.325 10.257 -4.971 1.00 0.33 H new ATOM 0 HA2 GLY B 59 9.116 12.356 -5.400 1.00 0.38 H new ATOM 0 HA3 GLY B 59 7.826 12.645 -6.551 1.00 0.38 H new ATOM 1749 N PHE B 60 7.281 12.587 -3.285 1.00 0.35 N ATOM 1750 CA PHE B 60 6.641 13.321 -2.201 1.00 0.39 C ATOM 1751 C PHE B 60 7.446 13.165 -0.919 1.00 0.39 C ATOM 1752 O PHE B 60 8.386 12.375 -0.861 1.00 0.42 O ATOM 1753 CB PHE B 60 5.191 12.856 -1.991 1.00 0.40 C ATOM 1754 CG PHE B 60 5.044 11.483 -1.388 1.00 0.30 C ATOM 1755 CD1 PHE B 60 5.026 10.356 -2.189 1.00 1.19 C ATOM 1756 CD2 PHE B 60 4.909 11.325 -0.016 1.00 1.21 C ATOM 1757 CE1 PHE B 60 4.880 9.098 -1.635 1.00 1.23 C ATOM 1758 CE2 PHE B 60 4.762 10.072 0.542 1.00 1.19 C ATOM 1759 CZ PHE B 60 4.747 8.956 -0.268 1.00 0.33 C ATOM 0 H PHE B 60 7.699 11.699 -3.007 1.00 0.35 H new ATOM 0 HA PHE B 60 6.612 14.376 -2.474 1.00 0.39 H new ATOM 0 HB2 PHE B 60 4.684 13.575 -1.348 1.00 0.40 H new ATOM 0 HB3 PHE B 60 4.678 12.871 -2.952 1.00 0.40 H new ATOM 0 HD1 PHE B 60 5.127 10.460 -3.259 1.00 1.19 H new ATOM 0 HD2 PHE B 60 4.919 12.195 0.624 1.00 1.21 H new ATOM 0 HE1 PHE B 60 4.870 8.226 -2.272 1.00 1.23 H new ATOM 0 HE2 PHE B 60 4.659 9.965 1.612 1.00 1.19 H new ATOM 0 HZ PHE B 60 4.632 7.974 0.166 1.00 0.33 H new ATOM 1769 N GLU B 61 7.086 13.935 0.095 1.00 0.47 N ATOM 1770 CA GLU B 61 7.761 13.875 1.382 1.00 0.55 C ATOM 1771 C GLU B 61 6.866 13.214 2.422 1.00 0.50 C ATOM 1772 O GLU B 61 5.641 13.259 2.321 1.00 0.47 O ATOM 1773 CB GLU B 61 8.136 15.283 1.842 1.00 0.70 C ATOM 1774 CG GLU B 61 9.136 15.978 0.935 1.00 0.80 C ATOM 1775 CD GLU B 61 9.464 17.375 1.406 1.00 1.48 C ATOM 1776 OE1 GLU B 61 10.333 17.523 2.292 1.00 2.06 O ATOM 1777 OE2 GLU B 61 8.845 18.337 0.903 1.00 2.33 O ATOM 0 H GLU B 61 6.325 14.613 0.051 1.00 0.47 H new ATOM 0 HA GLU B 61 8.668 13.280 1.271 1.00 0.55 H new ATOM 0 HB2 GLU B 61 7.232 15.889 1.902 1.00 0.70 H new ATOM 0 HB3 GLU B 61 8.550 15.228 2.849 1.00 0.70 H new ATOM 0 HG2 GLU B 61 10.052 15.388 0.889 1.00 0.80 H new ATOM 0 HG3 GLU B 61 8.734 16.023 -0.077 1.00 0.80 H new ATOM 1784 N ARG B 62 7.494 12.616 3.429 1.00 0.53 N ATOM 1785 CA ARG B 62 6.784 11.905 4.490 1.00 0.53 C ATOM 1786 C ARG B 62 5.920 12.861 5.310 1.00 0.52 C ATOM 1787 O ARG B 62 4.982 12.443 5.984 1.00 0.64 O ATOM 1788 CB ARG B 62 7.792 11.192 5.395 1.00 0.62 C ATOM 1789 CG ARG B 62 7.162 10.345 6.490 1.00 1.40 C ATOM 1790 CD ARG B 62 8.224 9.699 7.367 1.00 1.46 C ATOM 1791 NE ARG B 62 7.637 8.903 8.443 1.00 2.25 N ATOM 1792 CZ ARG B 62 8.310 8.004 9.159 1.00 2.60 C ATOM 1793 NH1 ARG B 62 9.596 7.779 8.915 1.00 2.13 N ATOM 1794 NH2 ARG B 62 7.697 7.337 10.128 1.00 3.67 N ATOM 0 H ARG B 62 8.509 12.610 3.534 1.00 0.53 H new ATOM 0 HA ARG B 62 6.124 11.168 4.032 1.00 0.53 H new ATOM 0 HB2 ARG B 62 8.428 10.555 4.780 1.00 0.62 H new ATOM 0 HB3 ARG B 62 8.439 11.938 5.856 1.00 0.62 H new ATOM 0 HG2 ARG B 62 6.509 10.966 7.103 1.00 1.40 H new ATOM 0 HG3 ARG B 62 6.538 9.572 6.042 1.00 1.40 H new ATOM 0 HD2 ARG B 62 8.863 9.064 6.754 1.00 1.46 H new ATOM 0 HD3 ARG B 62 8.861 10.473 7.795 1.00 1.46 H new ATOM 0 HE ARG B 62 6.650 9.045 8.659 1.00 2.25 H new ATOM 0 HH11 ARG B 62 10.073 8.296 8.176 1.00 2.13 H new ATOM 0 HH12 ARG B 62 10.107 7.089 9.466 1.00 2.13 H new ATOM 0 HH21 ARG B 62 6.712 7.513 10.324 1.00 3.67 H new ATOM 0 HH22 ARG B 62 8.211 6.648 10.677 1.00 3.67 H new ATOM 1808 N GLU B 63 6.239 14.143 5.246 1.00 0.57 N ATOM 1809 CA GLU B 63 5.459 15.159 5.936 1.00 0.63 C ATOM 1810 C GLU B 63 4.289 15.610 5.064 1.00 0.62 C ATOM 1811 O GLU B 63 3.376 16.297 5.522 1.00 0.74 O ATOM 1812 CB GLU B 63 6.349 16.354 6.283 1.00 0.73 C ATOM 1813 CG GLU B 63 5.691 17.349 7.222 1.00 1.69 C ATOM 1814 CD GLU B 63 5.296 16.713 8.536 1.00 2.52 C ATOM 1815 OE1 GLU B 63 6.136 16.683 9.457 1.00 3.12 O ATOM 1816 OE2 GLU B 63 4.152 16.224 8.649 1.00 3.19 O ATOM 0 H GLU B 63 7.035 14.506 4.722 1.00 0.57 H new ATOM 0 HA GLU B 63 5.063 14.733 6.858 1.00 0.63 H new ATOM 0 HB2 GLU B 63 7.270 15.990 6.739 1.00 0.73 H new ATOM 0 HB3 GLU B 63 6.630 16.866 5.363 1.00 0.73 H new ATOM 0 HG2 GLU B 63 6.375 18.176 7.411 1.00 1.69 H new ATOM 0 HG3 GLU B 63 4.807 17.770 6.743 1.00 1.69 H new ATOM 1823 N ALA B 64 4.310 15.203 3.804 1.00 0.55 N ATOM 1824 CA ALA B 64 3.291 15.620 2.854 1.00 0.59 C ATOM 1825 C ALA B 64 2.194 14.572 2.724 1.00 0.53 C ATOM 1826 O ALA B 64 1.234 14.762 1.978 1.00 0.56 O ATOM 1827 CB ALA B 64 3.916 15.898 1.497 1.00 0.66 C ATOM 0 H ALA B 64 5.022 14.584 3.416 1.00 0.55 H new ATOM 0 HA ALA B 64 2.838 16.537 3.230 1.00 0.59 H new ATOM 0 HB1 ALA B 64 3.141 16.209 0.796 1.00 0.66 H new ATOM 0 HB2 ALA B 64 4.658 16.691 1.594 1.00 0.66 H new ATOM 0 HB3 ALA B 64 4.398 14.993 1.126 1.00 0.66 H new ATOM 1833 N VAL B 65 2.329 13.472 3.460 1.00 0.50 N ATOM 1834 CA VAL B 65 1.349 12.393 3.396 1.00 0.46 C ATOM 1835 C VAL B 65 -0.036 12.887 3.815 1.00 0.52 C ATOM 1836 O VAL B 65 -1.028 12.601 3.148 1.00 0.53 O ATOM 1837 CB VAL B 65 1.773 11.169 4.251 1.00 0.46 C ATOM 1838 CG1 VAL B 65 2.053 11.557 5.690 1.00 0.51 C ATOM 1839 CG2 VAL B 65 0.715 10.078 4.202 1.00 0.50 C ATOM 0 H VAL B 65 3.103 13.305 4.104 1.00 0.50 H new ATOM 0 HA VAL B 65 1.302 12.065 2.357 1.00 0.46 H new ATOM 0 HB VAL B 65 2.697 10.784 3.820 1.00 0.46 H new ATOM 0 HG11 VAL B 65 2.347 10.672 6.255 1.00 0.51 H new ATOM 0 HG12 VAL B 65 2.859 12.290 5.719 1.00 0.51 H new ATOM 0 HG13 VAL B 65 1.155 11.988 6.132 1.00 0.51 H new ATOM 0 HG21 VAL B 65 1.037 9.232 4.809 1.00 0.50 H new ATOM 0 HG22 VAL B 65 -0.226 10.466 4.591 1.00 0.50 H new ATOM 0 HG23 VAL B 65 0.575 9.753 3.171 1.00 0.50 H new ATOM 1843 N SER B 66 -0.097 13.662 4.895 1.00 0.62 N ATOM 1844 CA SER B 66 -1.362 14.219 5.358 1.00 0.74 C ATOM 1845 C SER B 66 -1.923 15.203 4.333 1.00 0.75 C ATOM 1846 O SER B 66 -3.137 15.316 4.167 1.00 0.83 O ATOM 1847 CB SER B 66 -1.178 14.904 6.711 1.00 0.88 C ATOM 1848 OG SER B 66 -0.732 13.980 7.691 1.00 1.63 O ATOM 0 H SER B 66 0.711 13.917 5.463 1.00 0.62 H new ATOM 0 HA SER B 66 -2.075 13.403 5.476 1.00 0.74 H new ATOM 0 HB2 SER B 66 -0.457 15.716 6.617 1.00 0.88 H new ATOM 0 HB3 SER B 66 -2.121 15.350 7.028 1.00 0.88 H new ATOM 0 HG SER B 66 -0.620 14.441 8.548 1.00 1.63 H new ATOM 1854 N GLY B 67 -1.030 15.896 3.636 1.00 0.71 N ATOM 1855 CA GLY B 67 -1.448 16.818 2.599 1.00 0.74 C ATOM 1856 C GLY B 67 -2.057 16.096 1.416 1.00 0.69 C ATOM 1857 O GLY B 67 -3.094 16.505 0.894 1.00 0.74 O ATOM 0 H GLY B 67 -0.021 15.835 3.772 1.00 0.71 H new ATOM 0 HA2 GLY B 67 -2.174 17.521 3.009 1.00 0.74 H new ATOM 0 HA3 GLY B 67 -0.591 17.403 2.266 1.00 0.74 H new ATOM 1861 N ILE B 68 -1.415 15.012 1.001 1.00 0.61 N ATOM 1862 CA ILE B 68 -1.919 14.196 -0.098 1.00 0.58 C ATOM 1863 C ILE B 68 -3.250 13.549 0.280 1.00 0.62 C ATOM 1864 O ILE B 68 -4.168 13.465 -0.535 1.00 0.70 O ATOM 1865 CB ILE B 68 -0.911 13.098 -0.493 1.00 0.50 C ATOM 1866 CG1 ILE B 68 0.429 13.718 -0.895 1.00 0.49 C ATOM 1867 CG2 ILE B 68 -1.468 12.259 -1.632 1.00 0.49 C ATOM 1868 CD1 ILE B 68 1.503 12.697 -1.196 1.00 0.45 C ATOM 0 H ILE B 68 -0.543 14.676 1.409 1.00 0.61 H new ATOM 0 HA ILE B 68 -2.066 14.857 -0.952 1.00 0.58 H new ATOM 0 HB ILE B 68 -0.746 12.453 0.370 1.00 0.50 H new ATOM 0 HG12 ILE B 68 0.280 14.346 -1.773 1.00 0.49 H new ATOM 0 HG13 ILE B 68 0.774 14.370 -0.092 1.00 0.49 H new ATOM 0 HG21 ILE B 68 -0.747 11.487 -1.902 1.00 0.49 H new ATOM 0 HG22 ILE B 68 -2.400 11.790 -1.317 1.00 0.49 H new ATOM 0 HG23 ILE B 68 -1.657 12.897 -2.495 1.00 0.49 H new ATOM 0 HD11 ILE B 68 2.424 13.209 -1.474 1.00 0.45 H new ATOM 0 HD12 ILE B 68 1.681 12.084 -0.312 1.00 0.45 H new ATOM 0 HD13 ILE B 68 1.179 12.061 -2.020 1.00 0.45 H new ATOM 1875 N LEU B 69 -3.351 13.099 1.523 1.00 0.61 N ATOM 1876 CA LEU B 69 -4.583 12.504 2.020 1.00 0.66 C ATOM 1877 C LEU B 69 -5.693 13.550 2.086 1.00 0.84 C ATOM 1878 O LEU B 69 -6.843 13.265 1.765 1.00 1.13 O ATOM 1879 CB LEU B 69 -4.349 11.865 3.391 1.00 0.61 C ATOM 1880 CG LEU B 69 -3.356 10.698 3.387 1.00 0.46 C ATOM 1881 CD1 LEU B 69 -3.122 10.180 4.795 1.00 0.49 C ATOM 1882 CD2 LEU B 69 -3.855 9.577 2.490 1.00 0.45 C ATOM 0 H LEU B 69 -2.594 13.135 2.206 1.00 0.61 H new ATOM 0 HA LEU B 69 -4.898 11.722 1.329 1.00 0.66 H new ATOM 0 HB2 LEU B 69 -3.988 12.631 4.078 1.00 0.61 H new ATOM 0 HB3 LEU B 69 -5.304 11.512 3.781 1.00 0.61 H new ATOM 0 HG LEU B 69 -2.407 11.064 2.995 1.00 0.46 H new ATOM 0 HD11 LEU B 69 -2.414 9.352 4.765 1.00 0.49 H new ATOM 0 HD12 LEU B 69 -2.718 10.981 5.415 1.00 0.49 H new ATOM 0 HD13 LEU B 69 -4.066 9.835 5.217 1.00 0.49 H new ATOM 0 HD21 LEU B 69 -3.137 8.757 2.499 1.00 0.45 H new ATOM 0 HD22 LEU B 69 -4.818 9.220 2.855 1.00 0.45 H new ATOM 0 HD23 LEU B 69 -3.968 9.949 1.472 1.00 0.45 H new ATOM 1894 N GLY B 70 -5.335 14.766 2.481 1.00 0.79 N ATOM 1895 CA GLY B 70 -6.287 15.860 2.470 1.00 0.93 C ATOM 1896 C GLY B 70 -6.707 16.230 1.060 1.00 0.98 C ATOM 1897 O GLY B 70 -7.833 16.674 0.830 1.00 1.24 O ATOM 0 H GLY B 70 -4.402 15.014 2.809 1.00 0.79 H new ATOM 0 HA2 GLY B 70 -7.167 15.581 3.050 1.00 0.93 H new ATOM 0 HA3 GLY B 70 -5.846 16.730 2.958 1.00 0.93 H new ATOM 1901 N LYS B 71 -5.790 16.045 0.118 1.00 0.86 N ATOM 1902 CA LYS B 71 -6.059 16.292 -1.293 1.00 0.97 C ATOM 1903 C LYS B 71 -7.020 15.245 -1.847 1.00 0.98 C ATOM 1904 O LYS B 71 -7.916 15.557 -2.633 1.00 1.25 O ATOM 1905 CB LYS B 71 -4.746 16.259 -2.085 1.00 1.11 C ATOM 1906 CG LYS B 71 -4.914 16.513 -3.575 1.00 1.68 C ATOM 1907 CD LYS B 71 -3.630 16.227 -4.346 1.00 2.11 C ATOM 1908 CE LYS B 71 -2.470 17.081 -3.860 1.00 2.60 C ATOM 1909 NZ LYS B 71 -1.240 16.855 -4.666 1.00 3.15 N ATOM 0 H LYS B 71 -4.842 15.721 0.310 1.00 0.86 H new ATOM 0 HA LYS B 71 -6.519 17.275 -1.392 1.00 0.97 H new ATOM 0 HB2 LYS B 71 -4.067 17.006 -1.674 1.00 1.11 H new ATOM 0 HB3 LYS B 71 -4.273 15.287 -1.944 1.00 1.11 H new ATOM 0 HG2 LYS B 71 -5.718 15.887 -3.962 1.00 1.68 H new ATOM 0 HG3 LYS B 71 -5.212 17.549 -3.736 1.00 1.68 H new ATOM 0 HD2 LYS B 71 -3.372 15.173 -4.242 1.00 2.11 H new ATOM 0 HD3 LYS B 71 -3.796 16.412 -5.407 1.00 2.11 H new ATOM 0 HE2 LYS B 71 -2.748 18.134 -3.909 1.00 2.60 H new ATOM 0 HE3 LYS B 71 -2.265 16.854 -2.814 1.00 2.60 H new ATOM 0 HZ1 LYS B 71 -0.410 17.187 -4.134 1.00 3.15 H new ATOM 0 HZ2 LYS B 71 -1.139 15.840 -4.868 1.00 3.15 H new ATOM 0 HZ3 LYS B 71 -1.310 17.380 -5.561 1.00 3.15 H new ATOM 1923 N SER B 72 -6.832 14.007 -1.419 1.00 0.91 N ATOM 1924 CA SER B 72 -7.619 12.892 -1.918 1.00 1.08 C ATOM 1925 C SER B 72 -8.901 12.708 -1.107 1.00 1.03 C ATOM 1926 O SER B 72 -9.285 13.584 -0.332 1.00 1.20 O ATOM 1927 CB SER B 72 -6.773 11.618 -1.881 1.00 1.29 C ATOM 1928 OG SER B 72 -6.175 11.440 -0.609 1.00 2.02 O ATOM 0 H SER B 72 -6.135 13.748 -0.721 1.00 0.91 H new ATOM 0 HA SER B 72 -7.912 13.105 -2.946 1.00 1.08 H new ATOM 0 HB2 SER B 72 -7.397 10.756 -2.117 1.00 1.29 H new ATOM 0 HB3 SER B 72 -5.999 11.670 -2.646 1.00 1.29 H new ATOM 0 HG SER B 72 -5.391 12.022 -0.532 1.00 2.02 H new ATOM 1934 N GLU B 73 -9.562 11.574 -1.297 1.00 1.12 N ATOM 1935 CA GLU B 73 -10.763 11.240 -0.535 1.00 1.30 C ATOM 1936 C GLU B 73 -10.378 10.783 0.866 1.00 1.26 C ATOM 1937 O GLU B 73 -11.184 10.819 1.802 1.00 1.86 O ATOM 1938 CB GLU B 73 -11.524 10.110 -1.231 1.00 1.67 C ATOM 1939 CG GLU B 73 -11.744 10.337 -2.716 1.00 1.87 C ATOM 1940 CD GLU B 73 -12.756 11.421 -3.002 1.00 2.11 C ATOM 1941 OE1 GLU B 73 -13.966 11.152 -2.896 1.00 2.64 O ATOM 1942 OE2 GLU B 73 -12.346 12.543 -3.373 1.00 2.46 O ATOM 0 H GLU B 73 -9.286 10.864 -1.976 1.00 1.12 H new ATOM 0 HA GLU B 73 -11.395 12.126 -0.473 1.00 1.30 H new ATOM 0 HB2 GLU B 73 -10.976 9.178 -1.094 1.00 1.67 H new ATOM 0 HB3 GLU B 73 -12.492 9.985 -0.746 1.00 1.67 H new ATOM 0 HG2 GLU B 73 -10.795 10.601 -3.182 1.00 1.87 H new ATOM 0 HG3 GLU B 73 -12.077 9.406 -3.175 1.00 1.87 H new ATOM 1949 N PHE B 74 -9.124 10.381 1.007 1.00 1.03 N ATOM 1950 CA PHE B 74 -8.644 9.735 2.219 1.00 1.02 C ATOM 1951 C PHE B 74 -8.232 10.768 3.260 1.00 1.07 C ATOM 1952 O PHE B 74 -7.261 10.580 3.992 1.00 1.44 O ATOM 1953 CB PHE B 74 -7.471 8.821 1.870 1.00 0.94 C ATOM 1954 CG PHE B 74 -7.700 8.038 0.607 1.00 0.96 C ATOM 1955 CD1 PHE B 74 -8.720 7.105 0.528 1.00 1.61 C ATOM 1956 CD2 PHE B 74 -6.902 8.248 -0.507 1.00 1.18 C ATOM 1957 CE1 PHE B 74 -8.941 6.397 -0.636 1.00 1.70 C ATOM 1958 CE2 PHE B 74 -7.116 7.541 -1.674 1.00 1.25 C ATOM 1959 CZ PHE B 74 -8.139 6.615 -1.738 1.00 1.19 C ATOM 0 H PHE B 74 -8.412 10.493 0.286 1.00 1.03 H new ATOM 0 HA PHE B 74 -9.449 9.140 2.649 1.00 1.02 H new ATOM 0 HB2 PHE B 74 -6.568 9.422 1.761 1.00 0.94 H new ATOM 0 HB3 PHE B 74 -7.297 8.130 2.694 1.00 0.94 H new ATOM 0 HD1 PHE B 74 -9.350 6.929 1.387 1.00 1.61 H new ATOM 0 HD2 PHE B 74 -6.103 8.973 -0.462 1.00 1.18 H new ATOM 0 HE1 PHE B 74 -9.741 5.673 -0.685 1.00 1.70 H new ATOM 0 HE2 PHE B 74 -6.485 7.712 -2.534 1.00 1.25 H new ATOM 0 HZ PHE B 74 -8.311 6.062 -2.650 1.00 1.19 H new ATOM 2015 N HIS B 78 -7.643 5.325 6.820 1.00 0.88 N ATOM 2016 CA HIS B 78 -6.447 4.539 7.058 1.00 0.85 C ATOM 2017 C HIS B 78 -6.471 3.331 6.124 1.00 0.69 C ATOM 2018 O HIS B 78 -7.481 2.634 6.054 1.00 0.68 O ATOM 2019 CB HIS B 78 -6.412 4.110 8.531 1.00 1.02 C ATOM 2020 CG HIS B 78 -5.166 3.393 8.952 1.00 1.16 C ATOM 2021 ND1 HIS B 78 -5.169 2.096 9.404 1.00 1.50 N ATOM 2022 CD2 HIS B 78 -3.881 3.807 9.020 1.00 1.41 C ATOM 2023 CE1 HIS B 78 -3.942 1.741 9.731 1.00 1.95 C ATOM 2024 NE2 HIS B 78 -3.138 2.764 9.507 1.00 1.85 N ATOM 0 HA HIS B 78 -5.548 5.121 6.855 1.00 0.85 H new ATOM 0 HB2 HIS B 78 -6.532 4.996 9.155 1.00 1.02 H new ATOM 0 HB3 HIS B 78 -7.268 3.464 8.726 1.00 1.02 H new ATOM 0 HD1 HIS B 78 -5.993 1.499 9.476 1.00 1.50 H new ATOM 0 HD2 HIS B 78 -3.508 4.782 8.741 1.00 1.41 H new ATOM 0 HE1 HIS B 78 -3.645 0.777 10.117 1.00 1.95 H new ATOM 0 HE2 HIS B 78 -2.131 2.776 9.669 1.00 1.85 H new ATOM 2033 N LEU B 79 -5.370 3.103 5.403 1.00 0.60 N ATOM 2034 CA LEU B 79 -5.328 2.104 4.323 1.00 0.46 C ATOM 2035 C LEU B 79 -5.943 0.766 4.729 1.00 0.44 C ATOM 2036 O LEU B 79 -6.849 0.265 4.067 1.00 0.42 O ATOM 2037 CB LEU B 79 -3.887 1.869 3.861 1.00 0.44 C ATOM 2038 CG LEU B 79 -3.735 0.849 2.726 1.00 0.37 C ATOM 2039 CD1 LEU B 79 -4.416 1.342 1.458 1.00 0.38 C ATOM 2040 CD2 LEU B 79 -2.269 0.554 2.462 1.00 0.41 C ATOM 0 H LEU B 79 -4.490 3.598 5.546 1.00 0.60 H new ATOM 0 HA LEU B 79 -5.924 2.514 3.507 1.00 0.46 H new ATOM 0 HB2 LEU B 79 -3.465 2.820 3.535 1.00 0.44 H new ATOM 0 HB3 LEU B 79 -3.297 1.534 4.714 1.00 0.44 H new ATOM 0 HG LEU B 79 -4.222 -0.075 3.037 1.00 0.37 H new ATOM 0 HD11 LEU B 79 -4.294 0.601 0.668 1.00 0.38 H new ATOM 0 HD12 LEU B 79 -5.478 1.495 1.651 1.00 0.38 H new ATOM 0 HD13 LEU B 79 -3.965 2.284 1.145 1.00 0.38 H new ATOM 0 HD21 LEU B 79 -2.184 -0.172 1.653 1.00 0.41 H new ATOM 0 HD22 LEU B 79 -1.758 1.474 2.179 1.00 0.41 H new ATOM 0 HD23 LEU B 79 -1.811 0.148 3.364 1.00 0.41 H new ATOM 2052 N ALA B 80 -5.453 0.201 5.822 1.00 0.50 N ATOM 2053 CA ALA B 80 -5.886 -1.119 6.263 1.00 0.54 C ATOM 2054 C ALA B 80 -7.379 -1.156 6.571 1.00 0.58 C ATOM 2055 O ALA B 80 -8.048 -2.150 6.302 1.00 0.61 O ATOM 2056 CB ALA B 80 -5.086 -1.544 7.473 1.00 0.63 C ATOM 0 H ALA B 80 -4.753 0.637 6.423 1.00 0.50 H new ATOM 0 HA ALA B 80 -5.708 -1.819 5.447 1.00 0.54 H new ATOM 0 HB1 ALA B 80 -5.414 -2.531 7.798 1.00 0.63 H new ATOM 0 HB2 ALA B 80 -4.028 -1.580 7.215 1.00 0.63 H new ATOM 0 HB3 ALA B 80 -5.238 -0.827 8.280 1.00 0.63 H new ATOM 2062 N ASP B 81 -7.897 -0.063 7.117 1.00 0.64 N ATOM 2063 CA ASP B 81 -9.317 0.038 7.443 1.00 0.70 C ATOM 2064 C ASP B 81 -10.150 -0.013 6.172 1.00 0.60 C ATOM 2065 O ASP B 81 -11.243 -0.587 6.145 1.00 0.67 O ATOM 2066 CB ASP B 81 -9.599 1.338 8.199 1.00 0.78 C ATOM 2067 CG ASP B 81 -8.938 1.375 9.562 1.00 1.52 C ATOM 2068 OD1 ASP B 81 -7.688 1.379 9.627 1.00 2.30 O ATOM 2069 OD2 ASP B 81 -9.662 1.395 10.576 1.00 2.06 O ATOM 0 H ASP B 81 -7.354 0.770 7.345 1.00 0.64 H new ATOM 0 HA ASP B 81 -9.588 -0.804 8.080 1.00 0.70 H new ATOM 0 HB2 ASP B 81 -9.248 2.182 7.606 1.00 0.78 H new ATOM 0 HB3 ASP B 81 -10.676 1.458 8.318 1.00 0.78 H new ATOM 2074 N ILE B 82 -9.614 0.590 5.123 1.00 0.50 N ATOM 2075 CA ILE B 82 -10.230 0.554 3.808 1.00 0.44 C ATOM 2076 C ILE B 82 -10.272 -0.878 3.278 1.00 0.48 C ATOM 2077 O ILE B 82 -11.318 -1.358 2.838 1.00 0.60 O ATOM 2078 CB ILE B 82 -9.459 1.461 2.824 1.00 0.41 C ATOM 2079 CG1 ILE B 82 -9.708 2.933 3.165 1.00 0.51 C ATOM 2080 CG2 ILE B 82 -9.841 1.160 1.383 1.00 0.46 C ATOM 2081 CD1 ILE B 82 -8.934 3.899 2.297 1.00 0.61 C ATOM 0 H ILE B 82 -8.741 1.117 5.160 1.00 0.50 H new ATOM 0 HA ILE B 82 -11.251 0.925 3.898 1.00 0.44 H new ATOM 0 HB ILE B 82 -8.393 1.256 2.926 1.00 0.41 H new ATOM 0 HG12 ILE B 82 -10.773 3.144 3.067 1.00 0.51 H new ATOM 0 HG13 ILE B 82 -9.444 3.104 4.208 1.00 0.51 H new ATOM 0 HG21 ILE B 82 -9.282 1.814 0.714 1.00 0.46 H new ATOM 0 HG22 ILE B 82 -9.606 0.121 1.154 1.00 0.46 H new ATOM 0 HG23 ILE B 82 -10.909 1.329 1.247 1.00 0.46 H new ATOM 0 HD11 ILE B 82 -9.162 4.922 2.598 1.00 0.61 H new ATOM 0 HD12 ILE B 82 -7.866 3.716 2.413 1.00 0.61 H new ATOM 0 HD13 ILE B 82 -9.216 3.757 1.254 1.00 0.61 H new ATOM 2088 N LEU B 83 -9.137 -1.559 3.347 1.00 0.44 N ATOM 2089 CA LEU B 83 -9.038 -2.941 2.884 1.00 0.52 C ATOM 2090 C LEU B 83 -9.902 -3.865 3.736 1.00 0.69 C ATOM 2091 O LEU B 83 -10.503 -4.810 3.229 1.00 0.83 O ATOM 2092 CB LEU B 83 -7.581 -3.411 2.900 1.00 0.47 C ATOM 2093 CG LEU B 83 -6.758 -3.066 1.653 1.00 0.39 C ATOM 2094 CD1 LEU B 83 -6.672 -1.563 1.440 1.00 0.32 C ATOM 2095 CD2 LEU B 83 -5.366 -3.661 1.769 1.00 0.43 C ATOM 0 H LEU B 83 -8.268 -1.178 3.720 1.00 0.44 H new ATOM 0 HA LEU B 83 -9.405 -2.979 1.858 1.00 0.52 H new ATOM 0 HB2 LEU B 83 -7.088 -2.977 3.770 1.00 0.47 H new ATOM 0 HB3 LEU B 83 -7.569 -4.493 3.033 1.00 0.47 H new ATOM 0 HG LEU B 83 -7.262 -3.495 0.787 1.00 0.39 H new ATOM 0 HD11 LEU B 83 -6.082 -1.355 0.548 1.00 0.32 H new ATOM 0 HD12 LEU B 83 -7.675 -1.155 1.314 1.00 0.32 H new ATOM 0 HD13 LEU B 83 -6.198 -1.099 2.305 1.00 0.32 H new ATOM 0 HD21 LEU B 83 -4.788 -3.411 0.879 1.00 0.43 H new ATOM 0 HD22 LEU B 83 -4.869 -3.255 2.650 1.00 0.43 H new ATOM 0 HD23 LEU B 83 -5.440 -4.745 1.861 1.00 0.43 H new ATOM 2107 N ASN B 84 -9.970 -3.574 5.029 1.00 0.74 N ATOM 2108 CA ASN B 84 -10.806 -4.332 5.956 1.00 0.94 C ATOM 2109 C ASN B 84 -12.274 -4.252 5.544 1.00 0.97 C ATOM 2110 O ASN B 84 -13.032 -5.209 5.701 1.00 1.14 O ATOM 2111 CB ASN B 84 -10.640 -3.785 7.379 1.00 1.03 C ATOM 2112 CG ASN B 84 -11.478 -4.531 8.403 1.00 1.27 C ATOM 2113 OD1 ASN B 84 -12.647 -4.205 8.629 1.00 1.83 O ATOM 2114 ND2 ASN B 84 -10.884 -5.524 9.040 1.00 1.79 N ATOM 0 H ASN B 84 -9.451 -2.811 5.464 1.00 0.74 H new ATOM 0 HA ASN B 84 -10.490 -5.375 5.930 1.00 0.94 H new ATOM 0 HB2 ASN B 84 -9.590 -3.844 7.665 1.00 1.03 H new ATOM 0 HB3 ASN B 84 -10.915 -2.730 7.391 1.00 1.03 H new ATOM 0 HD21 ASN B 84 -11.393 -6.053 9.748 1.00 1.79 H new ATOM 0 HD22 ASN B 84 -9.916 -5.762 8.824 1.00 1.79 H new ATOM 2121 N SER B 85 -12.661 -3.105 5.002 1.00 0.87 N ATOM 2122 CA SER B 85 -14.038 -2.874 4.593 1.00 0.93 C ATOM 2123 C SER B 85 -14.303 -3.449 3.201 1.00 0.91 C ATOM 2124 O SER B 85 -15.449 -3.526 2.757 1.00 1.01 O ATOM 2125 CB SER B 85 -14.335 -1.375 4.613 1.00 0.97 C ATOM 2126 OG SER B 85 -13.993 -0.809 5.869 1.00 1.50 O ATOM 0 H SER B 85 -12.036 -2.317 4.835 1.00 0.87 H new ATOM 0 HA SER B 85 -14.698 -3.383 5.296 1.00 0.93 H new ATOM 0 HB2 SER B 85 -13.775 -0.878 3.821 1.00 0.97 H new ATOM 0 HB3 SER B 85 -15.392 -1.207 4.409 1.00 0.97 H new ATOM 0 HG SER B 85 -13.019 -0.728 5.937 1.00 1.50 H new ATOM 2132 N ALA B 86 -13.242 -3.869 2.526 1.00 0.88 N ATOM 2133 CA ALA B 86 -13.355 -4.395 1.172 1.00 0.95 C ATOM 2134 C ALA B 86 -13.503 -5.913 1.188 1.00 1.14 C ATOM 2135 O ALA B 86 -12.789 -6.629 0.486 1.00 1.70 O ATOM 2136 CB ALA B 86 -12.144 -3.980 0.347 1.00 1.09 C ATOM 0 H ALA B 86 -12.291 -3.856 2.895 1.00 0.88 H new ATOM 0 HA ALA B 86 -14.251 -3.977 0.712 1.00 0.95 H new ATOM 0 HB1 ALA B 86 -12.238 -4.378 -0.663 1.00 1.09 H new ATOM 0 HB2 ALA B 86 -12.088 -2.892 0.305 1.00 1.09 H new ATOM 0 HB3 ALA B 86 -11.238 -4.372 0.808 1.00 1.09 H new