USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 977 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 THR OG1 : rot -140:sc= 0.796 USER MOD Set 1.2: A 129 HIS : no HE2:sc= 0.562 K(o=1.4,f=-2.8) USER MOD Set 2.1: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 41 ASN : amide:sc= -4.7 K(o=-5.4,f=-9.7!) USER MOD Set 3.2: A 97 SER OG : rot 89:sc= -0.68! USER MOD Set 4.1: A 22 LYS NZ :NH3+ -167:sc= -0.0252 (180deg=-0.227) USER MOD Set 4.2: A 35 LYS NZ :NH3+ 153:sc= 0 (180deg=0) USER MOD Set 5.1: A 19 ASN : amide:sc= -3.29! C(o=-5.4!,f=-4.5!) USER MOD Set 5.2: A 102 TYR OH : rot 0:sc= -2.08! USER MOD Single : A 4 LYS NZ :NH3+ -170:sc= -0.0176 (180deg=-0.155) USER MOD Single : A 8 ASN : amide:sc= -1.47 K(o=-1.5,f=-5.5!) USER MOD Single : A 9 LYS NZ :NH3+ -152:sc= -1.81! (180deg=-2.95!) USER MOD Single : A 11 LYS NZ :NH3+ -156:sc= 0.00159 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 96:sc= 1.27 USER MOD Single : A 20 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0503) USER MOD Single : A 21 ASN : amide:sc= -4.81! K(o=-4.8!,f=-0.57) USER MOD Single : A 30 SER OG : rot -11:sc= -0.774! USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 34 TYR OH : rot 130:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -2.4! K(o=-2.4!,f=-1.2) USER MOD Single : A 39 SER OG : rot 115:sc= 1.01 USER MOD Single : A 44 LYS NZ :NH3+ -131:sc= 0.143 (180deg=-0.479) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 66:sc= 0.378 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -170:sc= -0.653 USER MOD Single : A 68 THR OG1 : rot 150:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 164:sc= -0.0663 (180deg=-0.337) USER MOD Single : A 71 THR OG1 : rot 79:sc= 0.294 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -9.03! C(o=-9!,f=-8.8!) USER MOD Single : A 80 SER OG : rot -25:sc= 0.681 USER MOD Single : A 81 GLN : amide:sc= -3.77! K(o=-3.8!,f=-0.73) USER MOD Single : A 87 THR OG1 : rot -30:sc= 1.17 USER MOD Single : A 91 GLN : amide:sc= -2.94 K(o=-2.9,f=-4.3) USER MOD Single : A 93 MET CE :methyl -122:sc= -2.9 (180deg=-4.19!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= -0.569 K(o=-0.57,f=0) USER MOD Single : A 123 THR OG1 : rot -170:sc= -0.0117 USER MOD Single : A 127 LYS NZ :NH3+ 161:sc= -0.0601 (180deg=-0.494) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ -168:sc= -0.0196 (180deg=-0.21) USER MOD Single : A 135 LYS NZ :NH3+ -162:sc= -0.08 (180deg=-0.424) USER MOD Single : A 136 SER OG : rot -57:sc= 0.665 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N LYS A 4 -22.921 5.424 0.164 1.00 0.82 N ATOM 60 CA LYS A 4 -21.733 5.328 -0.670 1.00 0.74 C ATOM 61 C LYS A 4 -20.603 4.655 0.098 1.00 0.69 C ATOM 62 O LYS A 4 -19.802 3.917 -0.477 1.00 0.64 O ATOM 63 CB LYS A 4 -21.298 6.718 -1.146 1.00 0.74 C ATOM 64 CG LYS A 4 -20.029 6.709 -1.983 1.00 1.23 C ATOM 65 CD LYS A 4 -20.212 5.922 -3.271 1.00 1.54 C ATOM 66 CE LYS A 4 -18.914 5.837 -4.059 1.00 2.11 C ATOM 67 NZ LYS A 4 -18.404 7.184 -4.438 1.00 2.63 N ATOM 0 HA LYS A 4 -21.971 4.722 -1.544 1.00 0.74 H new ATOM 0 HB2 LYS A 4 -22.105 7.161 -1.730 1.00 0.74 H new ATOM 0 HB3 LYS A 4 -21.145 7.358 -0.277 1.00 0.74 H new ATOM 0 HG2 LYS A 4 -19.742 7.733 -2.220 1.00 1.23 H new ATOM 0 HG3 LYS A 4 -19.214 6.275 -1.404 1.00 1.23 H new ATOM 0 HD2 LYS A 4 -20.564 4.917 -3.038 1.00 1.54 H new ATOM 0 HD3 LYS A 4 -20.980 6.396 -3.882 1.00 1.54 H new ATOM 0 HE2 LYS A 4 -18.162 5.318 -3.464 1.00 2.11 H new ATOM 0 HE3 LYS A 4 -19.074 5.243 -4.959 1.00 2.11 H new ATOM 0 HZ1 LYS A 4 -17.619 7.081 -5.112 1.00 2.63 H new ATOM 0 HZ2 LYS A 4 -19.169 7.733 -4.879 1.00 2.63 H new ATOM 0 HZ3 LYS A 4 -18.068 7.680 -3.588 1.00 2.63 H new ATOM 81 N ALA A 5 -20.544 4.917 1.402 1.00 0.73 N ATOM 82 CA ALA A 5 -19.519 4.328 2.252 1.00 0.73 C ATOM 83 C ALA A 5 -19.594 2.810 2.181 1.00 0.71 C ATOM 84 O ALA A 5 -18.594 2.138 1.927 1.00 0.64 O ATOM 85 CB ALA A 5 -19.673 4.807 3.689 1.00 0.82 C ATOM 0 H ALA A 5 -21.194 5.533 1.890 1.00 0.73 H new ATOM 0 HA ALA A 5 -18.540 4.647 1.893 1.00 0.73 H new ATOM 0 HB1 ALA A 5 -18.898 4.356 4.308 1.00 0.82 H new ATOM 0 HB2 ALA A 5 -19.578 5.892 3.723 1.00 0.82 H new ATOM 0 HB3 ALA A 5 -20.654 4.517 4.066 1.00 0.82 H new ATOM 91 N ASP A 6 -20.789 2.275 2.408 1.00 0.80 N ATOM 92 CA ASP A 6 -20.998 0.837 2.342 1.00 0.81 C ATOM 93 C ASP A 6 -20.770 0.343 0.923 1.00 0.75 C ATOM 94 O ASP A 6 -20.245 -0.753 0.714 1.00 0.74 O ATOM 95 CB ASP A 6 -22.406 0.468 2.813 1.00 0.90 C ATOM 96 CG ASP A 6 -22.662 0.878 4.250 1.00 1.65 C ATOM 97 OD1 ASP A 6 -22.145 0.200 5.162 1.00 1.58 O ATOM 98 OD2 ASP A 6 -23.381 1.877 4.464 1.00 2.57 O ATOM 0 H ASP A 6 -21.623 2.815 2.638 1.00 0.80 H new ATOM 0 HA ASP A 6 -20.281 0.354 3.006 1.00 0.81 H new ATOM 0 HB2 ASP A 6 -23.140 0.947 2.165 1.00 0.90 H new ATOM 0 HB3 ASP A 6 -22.549 -0.608 2.714 1.00 0.90 H new ATOM 103 N GLU A 7 -21.168 1.156 -0.056 1.00 0.74 N ATOM 104 CA GLU A 7 -20.970 0.799 -1.452 1.00 0.71 C ATOM 105 C GLU A 7 -19.491 0.522 -1.685 1.00 0.63 C ATOM 106 O GLU A 7 -19.118 -0.328 -2.497 1.00 0.59 O ATOM 107 CB GLU A 7 -21.449 1.926 -2.372 1.00 0.72 C ATOM 108 CG GLU A 7 -21.308 1.605 -3.853 1.00 1.31 C ATOM 109 CD GLU A 7 -21.772 2.743 -4.742 1.00 1.58 C ATOM 110 OE1 GLU A 7 -22.999 2.901 -4.914 1.00 2.10 O ATOM 111 OE2 GLU A 7 -20.907 3.474 -5.270 1.00 1.91 O ATOM 0 H GLU A 7 -21.624 2.056 0.094 1.00 0.74 H new ATOM 0 HA GLU A 7 -21.553 -0.093 -1.682 1.00 0.71 H new ATOM 0 HB2 GLU A 7 -22.495 2.142 -2.154 1.00 0.72 H new ATOM 0 HB3 GLU A 7 -20.883 2.831 -2.149 1.00 0.72 H new ATOM 0 HG2 GLU A 7 -20.265 1.378 -4.074 1.00 1.31 H new ATOM 0 HG3 GLU A 7 -21.885 0.710 -4.084 1.00 1.31 H new ATOM 118 N ASN A 8 -18.656 1.252 -0.950 1.00 0.61 N ATOM 119 CA ASN A 8 -17.215 1.095 -1.045 1.00 0.54 C ATOM 120 C ASN A 8 -16.779 -0.214 -0.399 1.00 0.48 C ATOM 121 O ASN A 8 -15.876 -0.891 -0.889 1.00 0.39 O ATOM 122 CB ASN A 8 -16.500 2.268 -0.371 1.00 0.62 C ATOM 123 CG ASN A 8 -16.948 3.610 -0.911 1.00 0.62 C ATOM 124 OD1 ASN A 8 -17.344 3.726 -2.071 1.00 1.40 O ATOM 125 ND2 ASN A 8 -16.887 4.634 -0.069 1.00 0.55 N ATOM 0 H ASN A 8 -18.958 1.960 -0.281 1.00 0.61 H new ATOM 0 HA ASN A 8 -16.944 1.077 -2.101 1.00 0.54 H new ATOM 0 HB2 ASN A 8 -16.684 2.233 0.703 1.00 0.62 H new ATOM 0 HB3 ASN A 8 -15.424 2.164 -0.514 1.00 0.62 H new ATOM 0 HD21 ASN A 8 -17.175 5.563 -0.375 1.00 0.55 H new ATOM 0 HD22 ASN A 8 -16.552 4.492 0.884 1.00 0.55 H new ATOM 132 N LYS A 9 -17.426 -0.560 0.711 1.00 0.57 N ATOM 133 CA LYS A 9 -17.109 -1.787 1.434 1.00 0.57 C ATOM 134 C LYS A 9 -17.252 -3.012 0.533 1.00 0.48 C ATOM 135 O LYS A 9 -16.486 -3.968 0.649 1.00 0.44 O ATOM 136 CB LYS A 9 -18.021 -1.936 2.656 1.00 0.72 C ATOM 137 CG LYS A 9 -17.637 -3.095 3.564 1.00 0.86 C ATOM 138 CD LYS A 9 -18.581 -3.217 4.750 1.00 1.55 C ATOM 139 CE LYS A 9 -19.826 -4.021 4.402 1.00 1.84 C ATOM 140 NZ LYS A 9 -20.628 -3.376 3.326 1.00 2.67 N ATOM 0 H LYS A 9 -18.174 -0.007 1.129 1.00 0.57 H new ATOM 0 HA LYS A 9 -16.072 -1.720 1.763 1.00 0.57 H new ATOM 0 HB2 LYS A 9 -17.997 -1.011 3.232 1.00 0.72 H new ATOM 0 HB3 LYS A 9 -19.048 -2.075 2.318 1.00 0.72 H new ATOM 0 HG2 LYS A 9 -17.648 -4.024 2.993 1.00 0.86 H new ATOM 0 HG3 LYS A 9 -16.618 -2.954 3.923 1.00 0.86 H new ATOM 0 HD2 LYS A 9 -18.061 -3.694 5.581 1.00 1.55 H new ATOM 0 HD3 LYS A 9 -18.873 -2.222 5.086 1.00 1.55 H new ATOM 0 HE2 LYS A 9 -19.533 -5.022 4.085 1.00 1.84 H new ATOM 0 HE3 LYS A 9 -20.443 -4.137 5.293 1.00 1.84 H new ATOM 0 HZ1 LYS A 9 -21.628 -3.639 3.433 1.00 2.67 H new ATOM 0 HZ2 LYS A 9 -20.533 -2.343 3.394 1.00 2.67 H new ATOM 0 HZ3 LYS A 9 -20.284 -3.695 2.398 1.00 2.67 H new ATOM 154 N VAL A 10 -18.233 -2.978 -0.365 1.00 0.48 N ATOM 155 CA VAL A 10 -18.475 -4.097 -1.273 1.00 0.44 C ATOM 156 C VAL A 10 -17.456 -4.142 -2.407 1.00 0.39 C ATOM 157 O VAL A 10 -16.829 -5.173 -2.641 1.00 0.37 O ATOM 158 CB VAL A 10 -19.882 -4.031 -1.890 1.00 0.51 C ATOM 159 CG1 VAL A 10 -20.219 -5.336 -2.596 1.00 1.27 C ATOM 160 CG2 VAL A 10 -20.922 -3.704 -0.830 1.00 1.15 C ATOM 0 H VAL A 10 -18.871 -2.191 -0.484 1.00 0.48 H new ATOM 0 HA VAL A 10 -18.381 -4.998 -0.668 1.00 0.44 H new ATOM 0 HB VAL A 10 -19.893 -3.231 -2.630 1.00 0.51 H new ATOM 0 HG11 VAL A 10 -21.218 -5.270 -3.026 1.00 1.27 H new ATOM 0 HG12 VAL A 10 -19.494 -5.518 -3.389 1.00 1.27 H new ATOM 0 HG13 VAL A 10 -20.186 -6.156 -1.879 1.00 1.27 H new ATOM 0 HG21 VAL A 10 -21.909 -3.663 -1.290 1.00 1.15 H new ATOM 0 HG22 VAL A 10 -20.912 -4.476 -0.060 1.00 1.15 H new ATOM 0 HG23 VAL A 10 -20.691 -2.739 -0.379 1.00 1.15 H new ATOM 170 N LYS A 11 -17.295 -3.023 -3.110 1.00 0.38 N ATOM 171 CA LYS A 11 -16.356 -2.957 -4.228 1.00 0.37 C ATOM 172 C LYS A 11 -14.936 -3.290 -3.780 1.00 0.31 C ATOM 173 O LYS A 11 -14.158 -3.871 -4.538 1.00 0.30 O ATOM 174 CB LYS A 11 -16.393 -1.573 -4.881 1.00 0.40 C ATOM 175 CG LYS A 11 -16.047 -0.438 -3.931 1.00 0.39 C ATOM 176 CD LYS A 11 -16.116 0.917 -4.623 1.00 0.46 C ATOM 177 CE LYS A 11 -17.529 1.245 -5.080 1.00 1.37 C ATOM 178 NZ LYS A 11 -17.628 2.621 -5.638 1.00 1.69 N ATOM 0 H LYS A 11 -17.799 -2.155 -2.927 1.00 0.38 H new ATOM 0 HA LYS A 11 -16.663 -3.702 -4.962 1.00 0.37 H new ATOM 0 HB2 LYS A 11 -15.696 -1.558 -5.719 1.00 0.40 H new ATOM 0 HB3 LYS A 11 -17.388 -1.401 -5.291 1.00 0.40 H new ATOM 0 HG2 LYS A 11 -16.734 -0.450 -3.085 1.00 0.39 H new ATOM 0 HG3 LYS A 11 -15.045 -0.591 -3.530 1.00 0.39 H new ATOM 0 HD2 LYS A 11 -15.765 1.692 -3.941 1.00 0.46 H new ATOM 0 HD3 LYS A 11 -15.446 0.921 -5.482 1.00 0.46 H new ATOM 0 HE2 LYS A 11 -17.843 0.524 -5.835 1.00 1.37 H new ATOM 0 HE3 LYS A 11 -18.215 1.144 -4.239 1.00 1.37 H new ATOM 0 HZ1 LYS A 11 -18.609 2.958 -5.560 1.00 1.69 H new ATOM 0 HZ2 LYS A 11 -17.000 3.257 -5.106 1.00 1.69 H new ATOM 0 HZ3 LYS A 11 -17.344 2.611 -6.638 1.00 1.69 H new ATOM 192 N GLY A 12 -14.603 -2.919 -2.548 1.00 0.31 N ATOM 193 CA GLY A 12 -13.276 -3.188 -2.026 1.00 0.29 C ATOM 194 C GLY A 12 -13.098 -4.638 -1.626 1.00 0.27 C ATOM 195 O GLY A 12 -12.160 -5.297 -2.071 1.00 0.28 O ATOM 0 H GLY A 12 -15.228 -2.437 -1.902 1.00 0.31 H new ATOM 0 HA2 GLY A 12 -12.532 -2.927 -2.779 1.00 0.29 H new ATOM 0 HA3 GLY A 12 -13.092 -2.550 -1.162 1.00 0.29 H new ATOM 199 N GLU A 13 -14.005 -5.139 -0.788 1.00 0.26 N ATOM 200 CA GLU A 13 -13.942 -6.524 -0.333 1.00 0.26 C ATOM 201 C GLU A 13 -14.052 -7.488 -1.511 1.00 0.23 C ATOM 202 O GLU A 13 -13.495 -8.583 -1.483 1.00 0.23 O ATOM 203 CB GLU A 13 -15.053 -6.808 0.680 1.00 0.30 C ATOM 204 CG GLU A 13 -14.832 -6.142 2.030 1.00 1.16 C ATOM 205 CD GLU A 13 -13.625 -6.695 2.762 1.00 1.67 C ATOM 206 OE1 GLU A 13 -12.504 -6.200 2.519 1.00 1.95 O ATOM 207 OE2 GLU A 13 -13.800 -7.623 3.580 1.00 2.39 O ATOM 0 H GLU A 13 -14.790 -4.607 -0.412 1.00 0.26 H new ATOM 0 HA GLU A 13 -12.977 -6.675 0.151 1.00 0.26 H new ATOM 0 HB2 GLU A 13 -16.004 -6.469 0.268 1.00 0.30 H new ATOM 0 HB3 GLU A 13 -15.134 -7.885 0.825 1.00 0.30 H new ATOM 0 HG2 GLU A 13 -14.704 -5.069 1.885 1.00 1.16 H new ATOM 0 HG3 GLU A 13 -15.720 -6.277 2.647 1.00 1.16 H new ATOM 214 N ALA A 14 -14.775 -7.074 -2.545 1.00 0.22 N ATOM 215 CA ALA A 14 -14.945 -7.906 -3.731 1.00 0.21 C ATOM 216 C ALA A 14 -13.694 -7.861 -4.596 1.00 0.19 C ATOM 217 O ALA A 14 -13.352 -8.836 -5.265 1.00 0.23 O ATOM 218 CB ALA A 14 -16.160 -7.459 -4.527 1.00 0.23 C ATOM 0 H ALA A 14 -15.251 -6.173 -2.587 1.00 0.22 H new ATOM 0 HA ALA A 14 -15.105 -8.935 -3.410 1.00 0.21 H new ATOM 0 HB1 ALA A 14 -16.271 -8.091 -5.408 1.00 0.23 H new ATOM 0 HB2 ALA A 14 -17.052 -7.542 -3.906 1.00 0.23 H new ATOM 0 HB3 ALA A 14 -16.030 -6.423 -4.838 1.00 0.23 H new ATOM 224 N PHE A 15 -13.016 -6.719 -4.578 1.00 0.19 N ATOM 225 CA PHE A 15 -11.795 -6.546 -5.349 1.00 0.17 C ATOM 226 C PHE A 15 -10.707 -7.492 -4.853 1.00 0.15 C ATOM 227 O PHE A 15 -10.140 -8.259 -5.629 1.00 0.15 O ATOM 228 CB PHE A 15 -11.319 -5.091 -5.266 1.00 0.20 C ATOM 229 CG PHE A 15 -9.823 -4.934 -5.303 1.00 0.19 C ATOM 230 CD1 PHE A 15 -9.104 -5.250 -6.445 1.00 0.20 C ATOM 231 CD2 PHE A 15 -9.139 -4.466 -4.193 1.00 0.22 C ATOM 232 CE1 PHE A 15 -7.730 -5.104 -6.477 1.00 0.22 C ATOM 233 CE2 PHE A 15 -7.765 -4.316 -4.219 1.00 0.23 C ATOM 234 CZ PHE A 15 -7.061 -4.639 -5.362 1.00 0.21 C ATOM 0 H PHE A 15 -13.293 -5.900 -4.037 1.00 0.19 H new ATOM 0 HA PHE A 15 -12.006 -6.786 -6.391 1.00 0.17 H new ATOM 0 HB2 PHE A 15 -11.754 -4.529 -6.093 1.00 0.20 H new ATOM 0 HB3 PHE A 15 -11.698 -4.647 -4.345 1.00 0.20 H new ATOM 0 HD1 PHE A 15 -9.623 -5.614 -7.319 1.00 0.20 H new ATOM 0 HD2 PHE A 15 -9.686 -4.215 -3.296 1.00 0.22 H new ATOM 0 HE1 PHE A 15 -7.180 -5.353 -7.373 1.00 0.22 H new ATOM 0 HE2 PHE A 15 -7.244 -3.947 -3.348 1.00 0.23 H new ATOM 0 HZ PHE A 15 -5.987 -4.528 -5.384 1.00 0.21 H new ATOM 244 N LEU A 16 -10.420 -7.431 -3.555 1.00 0.16 N ATOM 245 CA LEU A 16 -9.393 -8.284 -2.969 1.00 0.18 C ATOM 246 C LEU A 16 -9.794 -9.751 -3.035 1.00 0.18 C ATOM 247 O LEU A 16 -8.940 -10.629 -3.172 1.00 0.19 O ATOM 248 CB LEU A 16 -9.092 -7.874 -1.533 1.00 0.24 C ATOM 249 CG LEU A 16 -10.296 -7.397 -0.722 1.00 0.40 C ATOM 250 CD1 LEU A 16 -10.986 -8.573 -0.048 1.00 0.53 C ATOM 251 CD2 LEU A 16 -9.869 -6.364 0.309 1.00 0.55 C ATOM 0 H LEU A 16 -10.881 -6.805 -2.895 1.00 0.16 H new ATOM 0 HA LEU A 16 -8.484 -8.155 -3.556 1.00 0.18 H new ATOM 0 HB2 LEU A 16 -8.641 -8.722 -1.018 1.00 0.24 H new ATOM 0 HB3 LEU A 16 -8.347 -7.078 -1.549 1.00 0.24 H new ATOM 0 HG LEU A 16 -11.006 -6.928 -1.403 1.00 0.40 H new ATOM 0 HD11 LEU A 16 -11.841 -8.214 0.525 1.00 0.53 H new ATOM 0 HD12 LEU A 16 -11.328 -9.278 -0.806 1.00 0.53 H new ATOM 0 HD13 LEU A 16 -10.285 -9.072 0.621 1.00 0.53 H new ATOM 0 HD21 LEU A 16 -10.739 -6.036 0.877 1.00 0.55 H new ATOM 0 HD22 LEU A 16 -9.139 -6.807 0.987 1.00 0.55 H new ATOM 0 HD23 LEU A 16 -9.422 -5.508 -0.197 1.00 0.55 H new ATOM 263 N THR A 17 -11.095 -10.016 -2.939 1.00 0.19 N ATOM 264 CA THR A 17 -11.593 -11.382 -3.010 1.00 0.20 C ATOM 265 C THR A 17 -11.150 -12.020 -4.320 1.00 0.21 C ATOM 266 O THR A 17 -10.637 -13.134 -4.338 1.00 0.22 O ATOM 267 CB THR A 17 -13.132 -11.435 -2.898 1.00 0.22 C ATOM 268 OG1 THR A 17 -13.532 -11.179 -1.547 1.00 0.24 O ATOM 269 CG2 THR A 17 -13.668 -12.791 -3.339 1.00 0.27 C ATOM 0 H THR A 17 -11.817 -9.306 -2.813 1.00 0.19 H new ATOM 0 HA THR A 17 -11.178 -11.935 -2.167 1.00 0.20 H new ATOM 0 HB THR A 17 -13.545 -10.670 -3.555 1.00 0.22 H new ATOM 0 HG1 THR A 17 -13.757 -10.230 -1.447 1.00 0.24 H new ATOM 0 HG21 THR A 17 -14.754 -12.799 -3.250 1.00 0.27 H new ATOM 0 HG22 THR A 17 -13.388 -12.973 -4.377 1.00 0.27 H new ATOM 0 HG23 THR A 17 -13.246 -13.572 -2.707 1.00 0.27 H new ATOM 277 N GLU A 18 -11.359 -11.302 -5.414 1.00 0.21 N ATOM 278 CA GLU A 18 -10.959 -11.779 -6.731 1.00 0.22 C ATOM 279 C GLU A 18 -9.442 -11.680 -6.886 1.00 0.21 C ATOM 280 O GLU A 18 -8.818 -12.482 -7.580 1.00 0.24 O ATOM 281 CB GLU A 18 -11.656 -10.972 -7.828 1.00 0.23 C ATOM 282 CG GLU A 18 -11.322 -11.438 -9.236 1.00 1.25 C ATOM 283 CD GLU A 18 -12.036 -10.629 -10.302 1.00 1.71 C ATOM 284 OE1 GLU A 18 -13.168 -11.005 -10.671 1.00 2.47 O ATOM 285 OE2 GLU A 18 -11.464 -9.622 -10.766 1.00 2.02 O ATOM 0 H GLU A 18 -11.804 -10.384 -5.416 1.00 0.21 H new ATOM 0 HA GLU A 18 -11.257 -12.823 -6.828 1.00 0.22 H new ATOM 0 HB2 GLU A 18 -12.734 -11.032 -7.681 1.00 0.23 H new ATOM 0 HB3 GLU A 18 -11.379 -9.923 -7.727 1.00 0.23 H new ATOM 0 HG2 GLU A 18 -10.246 -11.368 -9.392 1.00 1.25 H new ATOM 0 HG3 GLU A 18 -11.592 -12.489 -9.341 1.00 1.25 H new ATOM 292 N ASN A 19 -8.867 -10.674 -6.229 1.00 0.19 N ATOM 293 CA ASN A 19 -7.428 -10.426 -6.275 1.00 0.19 C ATOM 294 C ASN A 19 -6.619 -11.639 -5.812 1.00 0.21 C ATOM 295 O ASN A 19 -5.478 -11.825 -6.232 1.00 0.22 O ATOM 296 CB ASN A 19 -7.081 -9.217 -5.401 1.00 0.17 C ATOM 297 CG ASN A 19 -5.694 -9.325 -4.809 1.00 0.16 C ATOM 298 OD1 ASN A 19 -4.736 -8.754 -5.328 1.00 0.22 O ATOM 299 ND2 ASN A 19 -5.582 -10.068 -3.714 1.00 0.18 N ATOM 0 H ASN A 19 -9.384 -10.010 -5.652 1.00 0.19 H new ATOM 0 HA ASN A 19 -7.164 -10.227 -7.314 1.00 0.19 H new ATOM 0 HB2 ASN A 19 -7.151 -8.307 -5.997 1.00 0.17 H new ATOM 0 HB3 ASN A 19 -7.812 -9.129 -4.597 1.00 0.17 H new ATOM 0 HD21 ASN A 19 -4.672 -10.184 -3.267 1.00 0.18 H new ATOM 0 HD22 ASN A 19 -6.406 -10.523 -3.320 1.00 0.18 H new ATOM 306 N LYS A 20 -7.208 -12.448 -4.936 1.00 0.23 N ATOM 307 CA LYS A 20 -6.544 -13.636 -4.398 1.00 0.26 C ATOM 308 C LYS A 20 -5.899 -14.489 -5.495 1.00 0.27 C ATOM 309 O LYS A 20 -5.029 -15.315 -5.215 1.00 0.29 O ATOM 310 CB LYS A 20 -7.534 -14.476 -3.589 1.00 0.29 C ATOM 311 CG LYS A 20 -8.526 -15.256 -4.439 1.00 1.04 C ATOM 312 CD LYS A 20 -9.682 -15.789 -3.606 1.00 1.41 C ATOM 313 CE LYS A 20 -9.198 -16.650 -2.450 1.00 1.75 C ATOM 314 NZ LYS A 20 -8.452 -17.848 -2.924 1.00 2.45 N ATOM 0 H LYS A 20 -8.153 -12.302 -4.580 1.00 0.23 H new ATOM 0 HA LYS A 20 -5.743 -13.290 -3.745 1.00 0.26 H new ATOM 0 HB2 LYS A 20 -6.977 -15.176 -2.966 1.00 0.29 H new ATOM 0 HB3 LYS A 20 -8.086 -13.820 -2.916 1.00 0.29 H new ATOM 0 HG2 LYS A 20 -8.913 -14.613 -5.229 1.00 1.04 H new ATOM 0 HG3 LYS A 20 -8.015 -16.086 -4.926 1.00 1.04 H new ATOM 0 HD2 LYS A 20 -10.265 -14.954 -3.217 1.00 1.41 H new ATOM 0 HD3 LYS A 20 -10.347 -16.374 -4.241 1.00 1.41 H new ATOM 0 HE2 LYS A 20 -8.556 -16.056 -1.799 1.00 1.75 H new ATOM 0 HE3 LYS A 20 -10.052 -16.967 -1.851 1.00 1.75 H new ATOM 0 HZ1 LYS A 20 -8.228 -18.460 -2.114 1.00 2.45 H new ATOM 0 HZ2 LYS A 20 -9.037 -18.374 -3.604 1.00 2.45 H new ATOM 0 HZ3 LYS A 20 -7.570 -17.547 -3.386 1.00 2.45 H new ATOM 328 N ASN A 21 -6.325 -14.289 -6.738 1.00 0.27 N ATOM 329 CA ASN A 21 -5.802 -15.064 -7.862 1.00 0.30 C ATOM 330 C ASN A 21 -4.335 -14.742 -8.142 1.00 0.28 C ATOM 331 O ASN A 21 -3.573 -15.613 -8.564 1.00 0.31 O ATOM 332 CB ASN A 21 -6.638 -14.802 -9.115 1.00 0.33 C ATOM 333 CG ASN A 21 -8.047 -15.340 -8.979 1.00 0.35 C ATOM 334 OD1 ASN A 21 -8.642 -15.812 -9.947 1.00 0.40 O ATOM 335 ND2 ASN A 21 -8.592 -15.261 -7.771 1.00 0.34 N ATOM 0 H ASN A 21 -7.030 -13.598 -6.994 1.00 0.27 H new ATOM 0 HA ASN A 21 -5.866 -16.118 -7.592 1.00 0.30 H new ATOM 0 HB2 ASN A 21 -6.676 -13.730 -9.308 1.00 0.33 H new ATOM 0 HB3 ASN A 21 -6.155 -15.264 -9.976 1.00 0.33 H new ATOM 0 HD21 ASN A 21 -9.542 -15.600 -7.617 1.00 0.34 H new ATOM 0 HD22 ASN A 21 -8.061 -14.862 -6.997 1.00 0.34 H new ATOM 342 N LYS A 22 -3.942 -13.493 -7.909 1.00 0.25 N ATOM 343 CA LYS A 22 -2.561 -13.066 -8.133 1.00 0.24 C ATOM 344 C LYS A 22 -1.579 -13.967 -7.381 1.00 0.24 C ATOM 345 O LYS A 22 -1.639 -14.068 -6.159 1.00 0.23 O ATOM 346 CB LYS A 22 -2.381 -11.616 -7.684 1.00 0.26 C ATOM 347 CG LYS A 22 -3.212 -10.627 -8.486 1.00 0.41 C ATOM 348 CD LYS A 22 -3.091 -9.218 -7.929 1.00 1.16 C ATOM 349 CE LYS A 22 -3.921 -8.229 -8.729 1.00 1.03 C ATOM 350 NZ LYS A 22 -3.478 -8.151 -10.149 1.00 1.40 N ATOM 0 H LYS A 22 -4.559 -12.757 -7.565 1.00 0.25 H new ATOM 0 HA LYS A 22 -2.351 -13.143 -9.200 1.00 0.24 H new ATOM 0 HB2 LYS A 22 -2.649 -11.534 -6.631 1.00 0.26 H new ATOM 0 HB3 LYS A 22 -1.328 -11.346 -7.767 1.00 0.26 H new ATOM 0 HG2 LYS A 22 -2.888 -10.637 -9.527 1.00 0.41 H new ATOM 0 HG3 LYS A 22 -4.257 -10.935 -8.475 1.00 0.41 H new ATOM 0 HD2 LYS A 22 -3.415 -9.208 -6.888 1.00 1.16 H new ATOM 0 HD3 LYS A 22 -2.046 -8.910 -7.940 1.00 1.16 H new ATOM 0 HE2 LYS A 22 -4.970 -8.522 -8.692 1.00 1.03 H new ATOM 0 HE3 LYS A 22 -3.850 -7.242 -8.272 1.00 1.03 H new ATOM 0 HZ1 LYS A 22 -3.911 -7.321 -10.603 1.00 1.40 H new ATOM 0 HZ2 LYS A 22 -2.442 -8.064 -10.185 1.00 1.40 H new ATOM 0 HZ3 LYS A 22 -3.771 -9.013 -10.652 1.00 1.40 H new ATOM 364 N PRO A 23 -0.667 -14.647 -8.102 1.00 0.29 N ATOM 365 CA PRO A 23 0.322 -15.532 -7.478 1.00 0.33 C ATOM 366 C PRO A 23 1.175 -14.809 -6.439 1.00 0.33 C ATOM 367 O PRO A 23 1.489 -13.630 -6.595 1.00 0.34 O ATOM 368 CB PRO A 23 1.194 -15.990 -8.652 1.00 0.42 C ATOM 369 CG PRO A 23 0.338 -15.808 -9.857 1.00 0.65 C ATOM 370 CD PRO A 23 -0.527 -14.616 -9.570 1.00 0.35 C ATOM 0 HA PRO A 23 -0.155 -16.351 -6.940 1.00 0.33 H new ATOM 0 HB2 PRO A 23 2.106 -15.397 -8.722 1.00 0.42 H new ATOM 0 HB3 PRO A 23 1.498 -17.030 -8.536 1.00 0.42 H new ATOM 0 HG2 PRO A 23 0.946 -15.644 -10.747 1.00 0.65 H new ATOM 0 HG3 PRO A 23 -0.268 -16.695 -10.043 1.00 0.65 H new ATOM 0 HD2 PRO A 23 -0.063 -13.690 -9.911 1.00 0.35 H new ATOM 0 HD3 PRO A 23 -1.494 -14.690 -10.068 1.00 0.35 H new ATOM 378 N GLY A 24 1.548 -15.525 -5.383 1.00 0.34 N ATOM 379 CA GLY A 24 2.376 -14.939 -4.344 1.00 0.37 C ATOM 380 C GLY A 24 1.588 -14.235 -3.252 1.00 0.33 C ATOM 381 O GLY A 24 2.180 -13.646 -2.347 1.00 0.36 O ATOM 0 H GLY A 24 1.292 -16.500 -5.228 1.00 0.34 H new ATOM 0 HA2 GLY A 24 2.984 -15.723 -3.892 1.00 0.37 H new ATOM 0 HA3 GLY A 24 3.063 -14.226 -4.800 1.00 0.37 H new ATOM 385 N VAL A 25 0.257 -14.283 -3.324 1.00 0.29 N ATOM 386 CA VAL A 25 -0.573 -13.639 -2.306 1.00 0.29 C ATOM 387 C VAL A 25 -0.265 -14.205 -0.925 1.00 0.26 C ATOM 388 O VAL A 25 -0.593 -15.355 -0.624 1.00 0.31 O ATOM 389 CB VAL A 25 -2.082 -13.796 -2.598 1.00 0.35 C ATOM 390 CG1 VAL A 25 -2.909 -13.518 -1.349 1.00 0.91 C ATOM 391 CG2 VAL A 25 -2.505 -12.868 -3.724 1.00 0.81 C ATOM 0 H VAL A 25 -0.263 -14.754 -4.065 1.00 0.29 H new ATOM 0 HA VAL A 25 -0.332 -12.576 -2.331 1.00 0.29 H new ATOM 0 HB VAL A 25 -2.261 -14.826 -2.906 1.00 0.35 H new ATOM 0 HG11 VAL A 25 -3.968 -13.635 -1.580 1.00 0.91 H new ATOM 0 HG12 VAL A 25 -2.629 -14.220 -0.564 1.00 0.91 H new ATOM 0 HG13 VAL A 25 -2.722 -12.500 -1.008 1.00 0.91 H new ATOM 0 HG21 VAL A 25 -3.571 -12.992 -3.916 1.00 0.81 H new ATOM 0 HG22 VAL A 25 -2.305 -11.835 -3.439 1.00 0.81 H new ATOM 0 HG23 VAL A 25 -1.943 -13.110 -4.626 1.00 0.81 H new ATOM 401 N VAL A 26 0.371 -13.390 -0.093 1.00 0.24 N ATOM 402 CA VAL A 26 0.730 -13.800 1.257 1.00 0.27 C ATOM 403 C VAL A 26 0.292 -12.758 2.282 1.00 0.25 C ATOM 404 O VAL A 26 0.581 -11.570 2.139 1.00 0.25 O ATOM 405 CB VAL A 26 2.250 -14.036 1.381 1.00 0.31 C ATOM 406 CG1 VAL A 26 3.020 -12.757 1.098 1.00 0.77 C ATOM 407 CG2 VAL A 26 2.598 -14.584 2.758 1.00 1.03 C ATOM 0 H VAL A 26 0.649 -12.438 -0.331 1.00 0.24 H new ATOM 0 HA VAL A 26 0.209 -14.736 1.459 1.00 0.27 H new ATOM 0 HB VAL A 26 2.541 -14.777 0.636 1.00 0.31 H new ATOM 0 HG11 VAL A 26 4.089 -12.948 1.191 1.00 0.77 H new ATOM 0 HG12 VAL A 26 2.799 -12.416 0.087 1.00 0.77 H new ATOM 0 HG13 VAL A 26 2.725 -11.989 1.813 1.00 0.77 H new ATOM 0 HG21 VAL A 26 3.674 -14.743 2.825 1.00 1.03 H new ATOM 0 HG22 VAL A 26 2.289 -13.871 3.522 1.00 1.03 H new ATOM 0 HG23 VAL A 26 2.081 -15.531 2.914 1.00 1.03 H new ATOM 417 N VAL A 27 -0.419 -13.209 3.309 1.00 0.29 N ATOM 418 CA VAL A 27 -0.891 -12.315 4.357 1.00 0.29 C ATOM 419 C VAL A 27 0.204 -12.064 5.392 1.00 0.31 C ATOM 420 O VAL A 27 0.912 -12.986 5.797 1.00 0.35 O ATOM 421 CB VAL A 27 -2.142 -12.883 5.060 1.00 0.35 C ATOM 422 CG1 VAL A 27 -1.836 -14.225 5.708 1.00 0.71 C ATOM 423 CG2 VAL A 27 -2.678 -11.895 6.087 1.00 0.91 C ATOM 0 H VAL A 27 -0.680 -14.187 3.437 1.00 0.29 H new ATOM 0 HA VAL A 27 -1.157 -11.372 3.880 1.00 0.29 H new ATOM 0 HB VAL A 27 -2.913 -13.041 4.306 1.00 0.35 H new ATOM 0 HG11 VAL A 27 -2.733 -14.606 6.197 1.00 0.71 H new ATOM 0 HG12 VAL A 27 -1.511 -14.932 4.945 1.00 0.71 H new ATOM 0 HG13 VAL A 27 -1.045 -14.100 6.447 1.00 0.71 H new ATOM 0 HG21 VAL A 27 -3.560 -12.315 6.571 1.00 0.91 H new ATOM 0 HG22 VAL A 27 -1.912 -11.698 6.837 1.00 0.91 H new ATOM 0 HG23 VAL A 27 -2.947 -10.963 5.590 1.00 0.91 H new ATOM 433 N LEU A 28 0.338 -10.809 5.809 1.00 0.32 N ATOM 434 CA LEU A 28 1.345 -10.432 6.795 1.00 0.36 C ATOM 435 C LEU A 28 0.745 -10.410 8.198 1.00 0.40 C ATOM 436 O LEU A 28 -0.474 -10.476 8.349 1.00 0.38 O ATOM 437 CB LEU A 28 1.928 -9.054 6.455 1.00 0.35 C ATOM 438 CG LEU A 28 2.728 -8.977 5.153 1.00 0.33 C ATOM 439 CD1 LEU A 28 3.334 -7.592 4.988 1.00 0.37 C ATOM 440 CD2 LEU A 28 3.818 -10.041 5.127 1.00 0.38 C ATOM 0 H LEU A 28 -0.239 -10.035 5.479 1.00 0.32 H new ATOM 0 HA LEU A 28 2.143 -11.174 6.770 1.00 0.36 H new ATOM 0 HB2 LEU A 28 1.109 -8.337 6.400 1.00 0.35 H new ATOM 0 HB3 LEU A 28 2.573 -8.740 7.276 1.00 0.35 H new ATOM 0 HG LEU A 28 2.050 -9.163 4.320 1.00 0.33 H new ATOM 0 HD11 LEU A 28 3.900 -7.551 4.058 1.00 0.37 H new ATOM 0 HD12 LEU A 28 2.538 -6.848 4.961 1.00 0.37 H new ATOM 0 HD13 LEU A 28 3.998 -7.383 5.827 1.00 0.37 H new ATOM 0 HD21 LEU A 28 4.375 -9.969 4.193 1.00 0.38 H new ATOM 0 HD22 LEU A 28 4.496 -9.888 5.966 1.00 0.38 H new ATOM 0 HD23 LEU A 28 3.364 -11.029 5.203 1.00 0.38 H new ATOM 452 N PRO A 29 1.586 -10.347 9.251 1.00 0.46 N ATOM 453 CA PRO A 29 1.097 -10.293 10.628 1.00 0.51 C ATOM 454 C PRO A 29 0.095 -9.160 10.822 1.00 0.47 C ATOM 455 O PRO A 29 -0.823 -9.260 11.638 1.00 0.49 O ATOM 456 CB PRO A 29 2.363 -10.040 11.451 1.00 0.59 C ATOM 457 CG PRO A 29 3.471 -10.580 10.615 1.00 0.59 C ATOM 458 CD PRO A 29 3.062 -10.352 9.187 1.00 0.50 C ATOM 0 HA PRO A 29 0.571 -11.203 10.917 1.00 0.51 H new ATOM 0 HB2 PRO A 29 2.500 -8.977 11.651 1.00 0.59 H new ATOM 0 HB3 PRO A 29 2.314 -10.543 12.417 1.00 0.59 H new ATOM 0 HG2 PRO A 29 4.410 -10.073 10.837 1.00 0.59 H new ATOM 0 HG3 PRO A 29 3.627 -11.641 10.812 1.00 0.59 H new ATOM 0 HD2 PRO A 29 3.451 -9.409 8.803 1.00 0.50 H new ATOM 0 HD3 PRO A 29 3.433 -11.140 8.532 1.00 0.50 H new ATOM 466 N SER A 30 0.273 -8.084 10.057 1.00 0.43 N ATOM 467 CA SER A 30 -0.618 -6.933 10.138 1.00 0.41 C ATOM 468 C SER A 30 -1.845 -7.128 9.248 1.00 0.36 C ATOM 469 O SER A 30 -2.804 -6.362 9.332 1.00 0.36 O ATOM 470 CB SER A 30 0.120 -5.650 9.756 1.00 0.43 C ATOM 471 OG SER A 30 -0.779 -4.559 9.644 1.00 1.14 O ATOM 0 H SER A 30 1.026 -7.987 9.376 1.00 0.43 H new ATOM 0 HA SER A 30 -0.956 -6.843 11.170 1.00 0.41 H new ATOM 0 HB2 SER A 30 0.878 -5.425 10.506 1.00 0.43 H new ATOM 0 HB3 SER A 30 0.641 -5.794 8.810 1.00 0.43 H new ATOM 0 HG SER A 30 -1.701 -4.892 9.653 1.00 1.14 H new ATOM 477 N GLY A 31 -1.811 -8.153 8.396 1.00 0.34 N ATOM 478 CA GLY A 31 -2.949 -8.433 7.535 1.00 0.31 C ATOM 479 C GLY A 31 -2.776 -7.989 6.091 1.00 0.27 C ATOM 480 O GLY A 31 -3.753 -7.936 5.344 1.00 0.30 O ATOM 0 H GLY A 31 -1.022 -8.790 8.288 1.00 0.34 H new ATOM 0 HA2 GLY A 31 -3.144 -9.505 7.551 1.00 0.31 H new ATOM 0 HA3 GLY A 31 -3.830 -7.943 7.949 1.00 0.31 H new ATOM 484 N LEU A 32 -1.552 -7.667 5.685 1.00 0.25 N ATOM 485 CA LEU A 32 -1.313 -7.212 4.316 1.00 0.25 C ATOM 486 C LEU A 32 -1.106 -8.360 3.336 1.00 0.22 C ATOM 487 O LEU A 32 -0.399 -9.326 3.621 1.00 0.23 O ATOM 488 CB LEU A 32 -0.113 -6.274 4.253 1.00 0.35 C ATOM 489 CG LEU A 32 -0.308 -4.949 4.978 1.00 0.44 C ATOM 490 CD1 LEU A 32 0.047 -5.100 6.444 1.00 1.19 C ATOM 491 CD2 LEU A 32 0.523 -3.857 4.326 1.00 1.35 C ATOM 0 H LEU A 32 -0.720 -7.711 6.273 1.00 0.25 H new ATOM 0 HA LEU A 32 -2.215 -6.678 4.017 1.00 0.25 H new ATOM 0 HB2 LEU A 32 0.752 -6.782 4.678 1.00 0.35 H new ATOM 0 HB3 LEU A 32 0.119 -6.071 3.207 1.00 0.35 H new ATOM 0 HG LEU A 32 -1.356 -4.660 4.907 1.00 0.44 H new ATOM 0 HD11 LEU A 32 -0.096 -4.147 6.953 1.00 1.19 H new ATOM 0 HD12 LEU A 32 -0.596 -5.854 6.898 1.00 1.19 H new ATOM 0 HD13 LEU A 32 1.089 -5.408 6.536 1.00 1.19 H new ATOM 0 HD21 LEU A 32 0.371 -2.918 4.858 1.00 1.35 H new ATOM 0 HD22 LEU A 32 1.578 -4.130 4.366 1.00 1.35 H new ATOM 0 HD23 LEU A 32 0.218 -3.739 3.286 1.00 1.35 H new ATOM 503 N GLN A 33 -1.730 -8.227 2.173 1.00 0.23 N ATOM 504 CA GLN A 33 -1.606 -9.203 1.100 1.00 0.22 C ATOM 505 C GLN A 33 -1.002 -8.511 -0.115 1.00 0.21 C ATOM 506 O GLN A 33 -1.345 -7.367 -0.413 1.00 0.21 O ATOM 507 CB GLN A 33 -2.968 -9.800 0.751 1.00 0.26 C ATOM 508 CG GLN A 33 -3.623 -10.540 1.904 1.00 0.33 C ATOM 509 CD GLN A 33 -4.993 -11.081 1.544 1.00 0.98 C ATOM 510 OE1 GLN A 33 -5.700 -10.513 0.712 1.00 1.75 O ATOM 511 NE2 GLN A 33 -5.374 -12.188 2.171 1.00 1.69 N ATOM 0 H GLN A 33 -2.337 -7.439 1.947 1.00 0.23 H new ATOM 0 HA GLN A 33 -0.960 -10.020 1.422 1.00 0.22 H new ATOM 0 HB2 GLN A 33 -3.631 -9.001 0.420 1.00 0.26 H new ATOM 0 HB3 GLN A 33 -2.850 -10.485 -0.089 1.00 0.26 H new ATOM 0 HG2 GLN A 33 -2.981 -11.364 2.214 1.00 0.33 H new ATOM 0 HG3 GLN A 33 -3.714 -9.868 2.758 1.00 0.33 H new ATOM 0 HE21 GLN A 33 -4.756 -12.626 2.854 1.00 1.69 H new ATOM 0 HE22 GLN A 33 -6.285 -12.600 1.970 1.00 1.69 H new ATOM 520 N TYR A 34 -0.103 -9.190 -0.816 1.00 0.20 N ATOM 521 CA TYR A 34 0.548 -8.583 -1.974 1.00 0.19 C ATOM 522 C TYR A 34 1.047 -9.613 -2.977 1.00 0.18 C ATOM 523 O TYR A 34 0.955 -10.820 -2.756 1.00 0.19 O ATOM 524 CB TYR A 34 1.715 -7.712 -1.515 1.00 0.19 C ATOM 525 CG TYR A 34 2.713 -8.442 -0.643 1.00 0.19 C ATOM 526 CD1 TYR A 34 3.759 -9.166 -1.201 1.00 0.25 C ATOM 527 CD2 TYR A 34 2.607 -8.407 0.742 1.00 0.31 C ATOM 528 CE1 TYR A 34 4.668 -9.831 -0.406 1.00 0.30 C ATOM 529 CE2 TYR A 34 3.512 -9.070 1.541 1.00 0.32 C ATOM 530 CZ TYR A 34 4.541 -9.780 0.965 1.00 0.26 C ATOM 531 OH TYR A 34 5.447 -10.443 1.762 1.00 0.31 O ATOM 0 H TYR A 34 0.190 -10.145 -0.610 1.00 0.20 H new ATOM 0 HA TYR A 34 -0.204 -7.976 -2.479 1.00 0.19 H new ATOM 0 HB2 TYR A 34 2.231 -7.320 -2.392 1.00 0.19 H new ATOM 0 HB3 TYR A 34 1.324 -6.856 -0.965 1.00 0.19 H new ATOM 0 HD1 TYR A 34 3.862 -9.209 -2.275 1.00 0.25 H new ATOM 0 HD2 TYR A 34 1.802 -7.851 1.199 1.00 0.31 H new ATOM 0 HE1 TYR A 34 5.476 -10.389 -0.856 1.00 0.30 H new ATOM 0 HE2 TYR A 34 3.415 -9.033 2.616 1.00 0.32 H new ATOM 0 HH TYR A 34 5.784 -9.833 2.451 1.00 0.31 H new ATOM 541 N LYS A 35 1.581 -9.105 -4.086 1.00 0.18 N ATOM 542 CA LYS A 35 2.126 -9.952 -5.142 1.00 0.20 C ATOM 543 C LYS A 35 3.603 -9.619 -5.355 1.00 0.18 C ATOM 544 O LYS A 35 3.952 -8.500 -5.733 1.00 0.19 O ATOM 545 CB LYS A 35 1.346 -9.744 -6.444 1.00 0.27 C ATOM 546 CG LYS A 35 1.746 -10.696 -7.563 1.00 0.35 C ATOM 547 CD LYS A 35 1.629 -10.034 -8.928 1.00 0.99 C ATOM 548 CE LYS A 35 0.185 -9.701 -9.270 1.00 1.58 C ATOM 549 NZ LYS A 35 0.068 -9.042 -10.600 1.00 2.15 N ATOM 0 H LYS A 35 1.647 -8.105 -4.276 1.00 0.18 H new ATOM 0 HA LYS A 35 2.033 -10.997 -4.845 1.00 0.20 H new ATOM 0 HB2 LYS A 35 0.282 -9.864 -6.241 1.00 0.27 H new ATOM 0 HB3 LYS A 35 1.492 -8.719 -6.783 1.00 0.27 H new ATOM 0 HG2 LYS A 35 2.771 -11.032 -7.407 1.00 0.35 H new ATOM 0 HG3 LYS A 35 1.112 -11.582 -7.532 1.00 0.35 H new ATOM 0 HD2 LYS A 35 2.226 -9.122 -8.943 1.00 0.99 H new ATOM 0 HD3 LYS A 35 2.040 -10.696 -9.690 1.00 0.99 H new ATOM 0 HE2 LYS A 35 -0.410 -10.614 -9.264 1.00 1.58 H new ATOM 0 HE3 LYS A 35 -0.228 -9.046 -8.503 1.00 1.58 H new ATOM 0 HZ1 LYS A 35 -0.871 -9.236 -11.002 1.00 2.15 H new ATOM 0 HZ2 LYS A 35 0.193 -8.015 -10.491 1.00 2.15 H new ATOM 0 HZ3 LYS A 35 0.801 -9.414 -11.237 1.00 2.15 H new ATOM 563 N VAL A 36 4.460 -10.606 -5.106 1.00 0.19 N ATOM 564 CA VAL A 36 5.907 -10.434 -5.220 1.00 0.19 C ATOM 565 C VAL A 36 6.397 -10.383 -6.665 1.00 0.22 C ATOM 566 O VAL A 36 6.128 -11.281 -7.463 1.00 0.28 O ATOM 567 CB VAL A 36 6.653 -11.568 -4.491 1.00 0.25 C ATOM 568 CG1 VAL A 36 8.158 -11.357 -4.562 1.00 0.26 C ATOM 569 CG2 VAL A 36 6.188 -11.669 -3.046 1.00 0.30 C ATOM 0 H VAL A 36 4.174 -11.543 -4.821 1.00 0.19 H new ATOM 0 HA VAL A 36 6.124 -9.472 -4.756 1.00 0.19 H new ATOM 0 HB VAL A 36 6.421 -12.508 -4.991 1.00 0.25 H new ATOM 0 HG11 VAL A 36 8.664 -12.169 -4.041 1.00 0.26 H new ATOM 0 HG12 VAL A 36 8.474 -11.342 -5.605 1.00 0.26 H new ATOM 0 HG13 VAL A 36 8.415 -10.408 -4.091 1.00 0.26 H new ATOM 0 HG21 VAL A 36 6.725 -12.475 -2.546 1.00 0.30 H new ATOM 0 HG22 VAL A 36 6.387 -10.728 -2.533 1.00 0.30 H new ATOM 0 HG23 VAL A 36 5.118 -11.877 -3.022 1.00 0.30 H new ATOM 579 N ILE A 37 7.122 -9.313 -6.982 1.00 0.22 N ATOM 580 CA ILE A 37 7.700 -9.130 -8.308 1.00 0.26 C ATOM 581 C ILE A 37 9.214 -9.345 -8.251 1.00 0.25 C ATOM 582 O ILE A 37 9.738 -10.301 -8.822 1.00 0.30 O ATOM 583 CB ILE A 37 7.409 -7.723 -8.867 1.00 0.29 C ATOM 584 CG1 ILE A 37 5.905 -7.431 -8.813 1.00 0.31 C ATOM 585 CG2 ILE A 37 7.930 -7.603 -10.292 1.00 0.37 C ATOM 586 CD1 ILE A 37 5.542 -6.018 -9.223 1.00 0.65 C ATOM 0 H ILE A 37 7.324 -8.554 -6.331 1.00 0.22 H new ATOM 0 HA ILE A 37 7.241 -9.864 -8.971 1.00 0.26 H new ATOM 0 HB ILE A 37 7.924 -6.986 -8.250 1.00 0.29 H new ATOM 0 HG12 ILE A 37 5.384 -8.133 -9.464 1.00 0.31 H new ATOM 0 HG13 ILE A 37 5.546 -7.609 -7.799 1.00 0.31 H new ATOM 0 HG21 ILE A 37 7.718 -6.605 -10.674 1.00 0.37 H new ATOM 0 HG22 ILE A 37 9.006 -7.774 -10.301 1.00 0.37 H new ATOM 0 HG23 ILE A 37 7.439 -8.345 -10.922 1.00 0.37 H new ATOM 0 HD11 ILE A 37 4.462 -5.887 -9.159 1.00 0.65 H new ATOM 0 HD12 ILE A 37 6.033 -5.308 -8.557 1.00 0.65 H new ATOM 0 HD13 ILE A 37 5.869 -5.841 -10.248 1.00 0.65 H new ATOM 598 N ASN A 38 9.907 -8.443 -7.556 1.00 0.21 N ATOM 599 CA ASN A 38 11.354 -8.531 -7.395 1.00 0.22 C ATOM 600 C ASN A 38 11.728 -8.269 -5.938 1.00 0.29 C ATOM 601 O ASN A 38 12.033 -7.142 -5.563 1.00 0.44 O ATOM 602 CB ASN A 38 12.046 -7.527 -8.331 1.00 0.31 C ATOM 603 CG ASN A 38 13.442 -7.130 -7.877 1.00 0.40 C ATOM 604 OD1 ASN A 38 13.889 -6.012 -8.133 1.00 1.03 O ATOM 605 ND2 ASN A 38 14.140 -8.036 -7.203 1.00 0.56 N ATOM 0 H ASN A 38 9.484 -7.638 -7.093 1.00 0.21 H new ATOM 0 HA ASN A 38 11.690 -9.533 -7.661 1.00 0.22 H new ATOM 0 HB2 ASN A 38 12.107 -7.958 -9.330 1.00 0.31 H new ATOM 0 HB3 ASN A 38 11.430 -6.631 -8.408 1.00 0.31 H new ATOM 0 HD21 ASN A 38 15.081 -7.816 -6.878 1.00 0.56 H new ATOM 0 HD22 ASN A 38 13.735 -8.952 -7.010 1.00 0.56 H new ATOM 612 N SER A 39 11.680 -9.313 -5.114 1.00 0.28 N ATOM 613 CA SER A 39 11.999 -9.180 -3.692 1.00 0.37 C ATOM 614 C SER A 39 13.356 -9.788 -3.341 1.00 0.29 C ATOM 615 O SER A 39 13.766 -10.799 -3.911 1.00 0.33 O ATOM 616 CB SER A 39 10.911 -9.842 -2.848 1.00 0.58 C ATOM 617 OG SER A 39 11.193 -9.721 -1.465 1.00 1.50 O ATOM 0 H SER A 39 11.425 -10.257 -5.403 1.00 0.28 H new ATOM 0 HA SER A 39 12.047 -8.113 -3.473 1.00 0.37 H new ATOM 0 HB2 SER A 39 9.947 -9.383 -3.067 1.00 0.58 H new ATOM 0 HB3 SER A 39 10.830 -10.896 -3.115 1.00 0.58 H new ATOM 0 HG SER A 39 10.505 -9.168 -1.038 1.00 1.50 H new ATOM 623 N GLY A 40 14.043 -9.156 -2.390 1.00 0.34 N ATOM 624 CA GLY A 40 15.333 -9.649 -1.938 1.00 0.36 C ATOM 625 C GLY A 40 16.487 -9.283 -2.853 1.00 0.50 C ATOM 626 O GLY A 40 16.603 -9.818 -3.955 1.00 1.09 O ATOM 0 H GLY A 40 13.726 -8.307 -1.923 1.00 0.34 H new ATOM 0 HA2 GLY A 40 15.533 -9.254 -0.942 1.00 0.36 H new ATOM 0 HA3 GLY A 40 15.285 -10.734 -1.847 1.00 0.36 H new ATOM 630 N ASN A 41 17.346 -8.374 -2.386 1.00 0.42 N ATOM 631 CA ASN A 41 18.513 -7.952 -3.156 1.00 0.47 C ATOM 632 C ASN A 41 19.368 -6.944 -2.380 1.00 0.37 C ATOM 633 O ASN A 41 20.530 -7.218 -2.076 1.00 0.36 O ATOM 634 CB ASN A 41 18.092 -7.369 -4.511 1.00 0.60 C ATOM 635 CG ASN A 41 17.131 -6.205 -4.383 1.00 0.82 C ATOM 636 OD1 ASN A 41 17.542 -5.047 -4.398 1.00 1.70 O ATOM 637 ND2 ASN A 41 15.845 -6.509 -4.257 1.00 0.66 N ATOM 0 H ASN A 41 17.253 -7.918 -1.479 1.00 0.42 H new ATOM 0 HA ASN A 41 19.123 -8.838 -3.334 1.00 0.47 H new ATOM 0 HB2 ASN A 41 18.980 -7.042 -5.051 1.00 0.60 H new ATOM 0 HB3 ASN A 41 17.627 -8.153 -5.109 1.00 0.60 H new ATOM 0 HD21 ASN A 41 15.152 -5.766 -4.168 1.00 0.66 H new ATOM 0 HD22 ASN A 41 15.550 -7.485 -4.250 1.00 0.66 H new ATOM 644 N GLY A 42 18.797 -5.784 -2.061 1.00 0.35 N ATOM 645 CA GLY A 42 19.543 -4.764 -1.335 1.00 0.33 C ATOM 646 C GLY A 42 19.422 -4.876 0.177 1.00 0.33 C ATOM 647 O GLY A 42 18.596 -5.624 0.697 1.00 0.34 O ATOM 0 H GLY A 42 17.836 -5.531 -2.290 1.00 0.35 H new ATOM 0 HA2 GLY A 42 20.595 -4.830 -1.612 1.00 0.33 H new ATOM 0 HA3 GLY A 42 19.193 -3.780 -1.646 1.00 0.33 H new ATOM 651 N VAL A 43 20.264 -4.113 0.870 1.00 0.32 N ATOM 652 CA VAL A 43 20.289 -4.071 2.331 1.00 0.32 C ATOM 653 C VAL A 43 19.356 -2.977 2.836 1.00 0.29 C ATOM 654 O VAL A 43 18.792 -2.234 2.036 1.00 0.28 O ATOM 655 CB VAL A 43 21.719 -3.826 2.859 1.00 0.36 C ATOM 656 CG1 VAL A 43 22.174 -2.408 2.556 1.00 1.36 C ATOM 657 CG2 VAL A 43 21.825 -4.125 4.349 1.00 1.42 C ATOM 0 H VAL A 43 20.953 -3.502 0.431 1.00 0.32 H new ATOM 0 HA VAL A 43 19.950 -5.038 2.703 1.00 0.32 H new ATOM 0 HB VAL A 43 22.384 -4.515 2.338 1.00 0.36 H new ATOM 0 HG11 VAL A 43 23.184 -2.261 2.938 1.00 1.36 H new ATOM 0 HG12 VAL A 43 22.166 -2.246 1.478 1.00 1.36 H new ATOM 0 HG13 VAL A 43 21.498 -1.699 3.034 1.00 1.36 H new ATOM 0 HG21 VAL A 43 22.845 -3.941 4.685 1.00 1.42 H new ATOM 0 HG22 VAL A 43 21.140 -3.480 4.899 1.00 1.42 H new ATOM 0 HG23 VAL A 43 21.566 -5.168 4.530 1.00 1.42 H new ATOM 667 N LYS A 44 19.228 -2.865 4.160 1.00 0.29 N ATOM 668 CA LYS A 44 18.351 -1.861 4.778 1.00 0.28 C ATOM 669 C LYS A 44 18.074 -2.143 6.258 1.00 0.29 C ATOM 670 O LYS A 44 18.165 -3.279 6.727 1.00 0.32 O ATOM 671 CB LYS A 44 16.995 -1.821 4.064 1.00 0.29 C ATOM 672 CG LYS A 44 16.199 -3.109 4.194 1.00 0.39 C ATOM 673 CD LYS A 44 14.738 -2.898 3.834 1.00 1.17 C ATOM 674 CE LYS A 44 14.029 -2.026 4.858 1.00 1.63 C ATOM 675 NZ LYS A 44 12.596 -1.818 4.513 1.00 2.18 N ATOM 0 H LYS A 44 19.721 -3.457 4.828 1.00 0.29 H new ATOM 0 HA LYS A 44 18.880 -0.912 4.688 1.00 0.28 H new ATOM 0 HB2 LYS A 44 16.406 -0.998 4.468 1.00 0.29 H new ATOM 0 HB3 LYS A 44 17.157 -1.609 3.007 1.00 0.29 H new ATOM 0 HG2 LYS A 44 16.629 -3.871 3.544 1.00 0.39 H new ATOM 0 HG3 LYS A 44 16.273 -3.483 5.215 1.00 0.39 H new ATOM 0 HD2 LYS A 44 14.669 -2.434 2.850 1.00 1.17 H new ATOM 0 HD3 LYS A 44 14.236 -3.863 3.768 1.00 1.17 H new ATOM 0 HE2 LYS A 44 14.102 -2.489 5.842 1.00 1.63 H new ATOM 0 HE3 LYS A 44 14.531 -1.060 4.922 1.00 1.63 H new ATOM 0 HZ1 LYS A 44 12.369 -0.805 4.571 1.00 2.18 H new ATOM 0 HZ2 LYS A 44 12.419 -2.158 3.546 1.00 2.18 H new ATOM 0 HZ3 LYS A 44 11.998 -2.346 5.181 1.00 2.18 H new ATOM 689 N PRO A 45 17.725 -1.068 6.999 1.00 0.29 N ATOM 690 CA PRO A 45 17.401 -1.097 8.424 1.00 0.30 C ATOM 691 C PRO A 45 15.942 -1.448 8.699 1.00 0.30 C ATOM 692 O PRO A 45 15.128 -1.555 7.782 1.00 0.29 O ATOM 693 CB PRO A 45 17.696 0.333 8.909 1.00 0.27 C ATOM 694 CG PRO A 45 18.076 1.122 7.695 1.00 0.30 C ATOM 695 CD PRO A 45 17.664 0.311 6.499 1.00 0.30 C ATOM 0 HA PRO A 45 17.981 -1.865 8.936 1.00 0.30 H new ATOM 0 HB2 PRO A 45 16.822 0.766 9.395 1.00 0.27 H new ATOM 0 HB3 PRO A 45 18.503 0.336 9.642 1.00 0.27 H new ATOM 0 HG2 PRO A 45 17.578 2.092 7.694 1.00 0.30 H new ATOM 0 HG3 PRO A 45 19.149 1.314 7.680 1.00 0.30 H new ATOM 0 HD2 PRO A 45 16.662 0.573 6.159 1.00 0.30 H new ATOM 0 HD3 PRO A 45 18.337 0.465 5.656 1.00 0.30 H new ATOM 703 N GLY A 46 15.629 -1.620 9.978 1.00 0.32 N ATOM 704 CA GLY A 46 14.280 -1.956 10.401 1.00 0.35 C ATOM 705 C GLY A 46 13.323 -0.807 10.159 1.00 0.33 C ATOM 706 O GLY A 46 13.690 0.157 9.498 1.00 0.28 O ATOM 0 H GLY A 46 16.298 -1.531 10.743 1.00 0.32 H new ATOM 0 HA2 GLY A 46 13.936 -2.838 9.860 1.00 0.35 H new ATOM 0 HA3 GLY A 46 14.282 -2.213 11.460 1.00 0.35 H new ATOM 710 N LYS A 47 12.089 -0.930 10.651 1.00 0.37 N ATOM 711 CA LYS A 47 11.050 0.093 10.452 1.00 0.37 C ATOM 712 C LYS A 47 11.572 1.532 10.599 1.00 0.34 C ATOM 713 O LYS A 47 10.883 2.478 10.219 1.00 0.35 O ATOM 714 CB LYS A 47 9.906 -0.127 11.445 1.00 0.44 C ATOM 715 CG LYS A 47 9.172 -1.444 11.256 1.00 0.99 C ATOM 716 CD LYS A 47 8.059 -1.609 12.279 1.00 0.94 C ATOM 717 CE LYS A 47 7.333 -2.934 12.106 1.00 1.85 C ATOM 718 NZ LYS A 47 6.242 -3.105 13.106 1.00 2.35 N ATOM 0 H LYS A 47 11.779 -1.735 11.196 1.00 0.37 H new ATOM 0 HA LYS A 47 10.702 -0.020 9.425 1.00 0.37 H new ATOM 0 HB2 LYS A 47 10.305 -0.087 12.459 1.00 0.44 H new ATOM 0 HB3 LYS A 47 9.193 0.692 11.350 1.00 0.44 H new ATOM 0 HG2 LYS A 47 8.754 -1.488 10.250 1.00 0.99 H new ATOM 0 HG3 LYS A 47 9.876 -2.271 11.345 1.00 0.99 H new ATOM 0 HD2 LYS A 47 8.476 -1.550 13.284 1.00 0.94 H new ATOM 0 HD3 LYS A 47 7.348 -0.788 12.180 1.00 0.94 H new ATOM 0 HE2 LYS A 47 6.916 -2.991 11.101 1.00 1.85 H new ATOM 0 HE3 LYS A 47 8.045 -3.753 12.202 1.00 1.85 H new ATOM 0 HZ1 LYS A 47 5.772 -4.020 12.954 1.00 2.35 H new ATOM 0 HZ2 LYS A 47 6.643 -3.077 14.065 1.00 2.35 H new ATOM 0 HZ3 LYS A 47 5.548 -2.338 12.998 1.00 2.35 H new ATOM 732 N SER A 48 12.772 1.704 11.142 1.00 0.31 N ATOM 733 CA SER A 48 13.351 3.037 11.295 1.00 0.31 C ATOM 734 C SER A 48 14.078 3.450 10.013 1.00 0.27 C ATOM 735 O SER A 48 14.753 4.479 9.968 1.00 0.29 O ATOM 736 CB SER A 48 14.317 3.070 12.480 1.00 0.32 C ATOM 737 OG SER A 48 15.391 2.165 12.290 1.00 1.45 O ATOM 0 H SER A 48 13.361 0.944 11.482 1.00 0.31 H new ATOM 0 HA SER A 48 12.543 3.743 11.485 1.00 0.31 H new ATOM 0 HB2 SER A 48 14.707 4.080 12.607 1.00 0.32 H new ATOM 0 HB3 SER A 48 13.782 2.817 13.396 1.00 0.32 H new ATOM 0 HG SER A 48 15.995 2.207 13.061 1.00 1.45 H new ATOM 743 N ASP A 49 13.927 2.627 8.980 1.00 0.25 N ATOM 744 CA ASP A 49 14.561 2.860 7.684 1.00 0.24 C ATOM 745 C ASP A 49 13.840 3.943 6.885 1.00 0.23 C ATOM 746 O ASP A 49 12.612 4.005 6.875 1.00 0.29 O ATOM 747 CB ASP A 49 14.571 1.563 6.877 1.00 0.26 C ATOM 748 CG ASP A 49 13.180 1.123 6.461 1.00 0.74 C ATOM 749 OD1 ASP A 49 12.654 1.674 5.471 1.00 0.53 O ATOM 750 OD2 ASP A 49 12.618 0.226 7.122 1.00 1.73 O ATOM 0 H ASP A 49 13.362 1.779 9.016 1.00 0.25 H new ATOM 0 HA ASP A 49 15.580 3.199 7.871 1.00 0.24 H new ATOM 0 HB2 ASP A 49 15.186 1.698 5.988 1.00 0.26 H new ATOM 0 HB3 ASP A 49 15.035 0.775 7.469 1.00 0.26 H new ATOM 755 N THR A 50 14.613 4.778 6.199 1.00 0.26 N ATOM 756 CA THR A 50 14.059 5.845 5.377 1.00 0.28 C ATOM 757 C THR A 50 14.368 5.544 3.917 1.00 0.33 C ATOM 758 O THR A 50 15.535 5.451 3.537 1.00 0.44 O ATOM 759 CB THR A 50 14.658 7.214 5.753 1.00 0.36 C ATOM 760 OG1 THR A 50 14.448 7.475 7.145 1.00 0.39 O ATOM 761 CG2 THR A 50 14.033 8.328 4.926 1.00 0.42 C ATOM 0 H THR A 50 15.632 4.735 6.197 1.00 0.26 H new ATOM 0 HA THR A 50 12.983 5.891 5.544 1.00 0.28 H new ATOM 0 HB THR A 50 15.727 7.185 5.544 1.00 0.36 H new ATOM 0 HG1 THR A 50 14.833 8.346 7.376 1.00 0.39 H new ATOM 0 HG21 THR A 50 14.473 9.284 5.211 1.00 0.42 H new ATOM 0 HG22 THR A 50 14.219 8.144 3.868 1.00 0.42 H new ATOM 0 HG23 THR A 50 12.958 8.356 5.106 1.00 0.42 H new ATOM 769 N VAL A 51 13.335 5.391 3.100 1.00 0.29 N ATOM 770 CA VAL A 51 13.544 5.058 1.698 1.00 0.37 C ATOM 771 C VAL A 51 12.890 6.048 0.747 1.00 0.30 C ATOM 772 O VAL A 51 11.916 6.719 1.088 1.00 0.29 O ATOM 773 CB VAL A 51 13.001 3.651 1.385 1.00 0.51 C ATOM 774 CG1 VAL A 51 13.613 2.621 2.319 1.00 0.65 C ATOM 775 CG2 VAL A 51 11.482 3.624 1.477 1.00 0.53 C ATOM 0 H VAL A 51 12.359 5.490 3.378 1.00 0.29 H new ATOM 0 HA VAL A 51 14.622 5.097 1.542 1.00 0.37 H new ATOM 0 HB VAL A 51 13.283 3.398 0.363 1.00 0.51 H new ATOM 0 HG11 VAL A 51 13.217 1.634 2.082 1.00 0.65 H new ATOM 0 HG12 VAL A 51 14.696 2.616 2.196 1.00 0.65 H new ATOM 0 HG13 VAL A 51 13.366 2.873 3.350 1.00 0.65 H new ATOM 0 HG21 VAL A 51 11.122 2.620 1.252 1.00 0.53 H new ATOM 0 HG22 VAL A 51 11.173 3.903 2.485 1.00 0.53 H new ATOM 0 HG23 VAL A 51 11.061 4.330 0.760 1.00 0.53 H new ATOM 785 N THR A 52 13.450 6.126 -0.456 1.00 0.27 N ATOM 786 CA THR A 52 12.930 6.990 -1.501 1.00 0.23 C ATOM 787 C THR A 52 12.420 6.122 -2.640 1.00 0.19 C ATOM 788 O THR A 52 13.179 5.348 -3.224 1.00 0.17 O ATOM 789 CB THR A 52 14.011 7.947 -2.035 1.00 0.26 C ATOM 790 OG1 THR A 52 14.518 8.758 -0.967 1.00 0.32 O ATOM 791 CG2 THR A 52 13.454 8.839 -3.133 1.00 0.26 C ATOM 0 H THR A 52 14.275 5.592 -0.730 1.00 0.27 H new ATOM 0 HA THR A 52 12.125 7.594 -1.083 1.00 0.23 H new ATOM 0 HB THR A 52 14.819 7.347 -2.453 1.00 0.26 H new ATOM 0 HG1 THR A 52 15.206 9.363 -1.314 1.00 0.32 H new ATOM 0 HG21 THR A 52 14.238 9.505 -3.493 1.00 0.26 H new ATOM 0 HG22 THR A 52 13.096 8.222 -3.957 1.00 0.26 H new ATOM 0 HG23 THR A 52 12.628 9.430 -2.737 1.00 0.26 H new ATOM 799 N VAL A 53 11.141 6.251 -2.959 1.00 0.19 N ATOM 800 CA VAL A 53 10.549 5.441 -4.012 1.00 0.18 C ATOM 801 C VAL A 53 9.526 6.222 -4.825 1.00 0.19 C ATOM 802 O VAL A 53 9.277 7.399 -4.576 1.00 0.23 O ATOM 803 CB VAL A 53 9.855 4.195 -3.420 1.00 0.20 C ATOM 804 CG1 VAL A 53 10.765 3.490 -2.430 1.00 0.22 C ATOM 805 CG2 VAL A 53 8.537 4.574 -2.758 1.00 0.24 C ATOM 0 H VAL A 53 10.498 6.903 -2.508 1.00 0.19 H new ATOM 0 HA VAL A 53 11.366 5.140 -4.668 1.00 0.18 H new ATOM 0 HB VAL A 53 9.642 3.507 -4.238 1.00 0.20 H new ATOM 0 HG11 VAL A 53 10.255 2.615 -2.026 1.00 0.22 H new ATOM 0 HG12 VAL A 53 11.678 3.176 -2.935 1.00 0.22 H new ATOM 0 HG13 VAL A 53 11.016 4.172 -1.617 1.00 0.22 H new ATOM 0 HG21 VAL A 53 8.066 3.681 -2.348 1.00 0.24 H new ATOM 0 HG22 VAL A 53 8.725 5.286 -1.955 1.00 0.24 H new ATOM 0 HG23 VAL A 53 7.876 5.027 -3.497 1.00 0.24 H new ATOM 815 N GLU A 54 8.943 5.540 -5.799 1.00 0.18 N ATOM 816 CA GLU A 54 7.924 6.125 -6.659 1.00 0.20 C ATOM 817 C GLU A 54 6.713 5.205 -6.708 1.00 0.20 C ATOM 818 O GLU A 54 6.860 3.997 -6.899 1.00 0.21 O ATOM 819 CB GLU A 54 8.478 6.337 -8.069 1.00 0.24 C ATOM 820 CG GLU A 54 9.338 7.583 -8.207 1.00 1.02 C ATOM 821 CD GLU A 54 10.046 7.658 -9.546 1.00 1.76 C ATOM 822 OE1 GLU A 54 9.453 8.202 -10.502 1.00 2.40 O ATOM 823 OE2 GLU A 54 11.194 7.175 -9.639 1.00 2.09 O ATOM 0 H GLU A 54 9.162 4.568 -6.016 1.00 0.18 H new ATOM 0 HA GLU A 54 7.627 7.092 -6.254 1.00 0.20 H new ATOM 0 HB2 GLU A 54 9.068 5.466 -8.353 1.00 0.24 H new ATOM 0 HB3 GLU A 54 7.646 6.401 -8.771 1.00 0.24 H new ATOM 0 HG2 GLU A 54 8.713 8.467 -8.081 1.00 1.02 H new ATOM 0 HG3 GLU A 54 10.078 7.599 -7.407 1.00 1.02 H new ATOM 830 N TYR A 55 5.516 5.761 -6.538 1.00 0.19 N ATOM 831 CA TYR A 55 4.316 4.937 -6.557 1.00 0.20 C ATOM 832 C TYR A 55 3.128 5.669 -7.148 1.00 0.19 C ATOM 833 O TYR A 55 3.102 6.898 -7.234 1.00 0.21 O ATOM 834 CB TYR A 55 3.967 4.450 -5.144 1.00 0.21 C ATOM 835 CG TYR A 55 3.213 5.460 -4.299 1.00 0.19 C ATOM 836 CD1 TYR A 55 3.851 6.583 -3.792 1.00 0.22 C ATOM 837 CD2 TYR A 55 1.860 5.284 -4.005 1.00 0.20 C ATOM 838 CE1 TYR A 55 3.171 7.504 -3.016 1.00 0.24 C ATOM 839 CE2 TYR A 55 1.172 6.202 -3.231 1.00 0.21 C ATOM 840 CZ TYR A 55 1.832 7.309 -2.740 1.00 0.22 C ATOM 841 OH TYR A 55 1.155 8.225 -1.967 1.00 0.26 O ATOM 0 H TYR A 55 5.354 6.757 -6.389 1.00 0.19 H new ATOM 0 HA TYR A 55 4.535 4.080 -7.194 1.00 0.20 H new ATOM 0 HB2 TYR A 55 3.368 3.543 -5.224 1.00 0.21 H new ATOM 0 HB3 TYR A 55 4.889 4.180 -4.629 1.00 0.21 H new ATOM 0 HD1 TYR A 55 4.898 6.741 -4.007 1.00 0.22 H new ATOM 0 HD2 TYR A 55 1.342 4.417 -4.388 1.00 0.20 H new ATOM 0 HE1 TYR A 55 3.685 8.371 -2.628 1.00 0.24 H new ATOM 0 HE2 TYR A 55 0.125 6.052 -3.013 1.00 0.21 H new ATOM 0 HH TYR A 55 0.222 7.943 -1.867 1.00 0.26 H new ATOM 851 N THR A 56 2.150 4.881 -7.554 1.00 0.18 N ATOM 852 CA THR A 56 0.916 5.395 -8.116 1.00 0.17 C ATOM 853 C THR A 56 -0.248 4.765 -7.374 1.00 0.14 C ATOM 854 O THR A 56 -0.478 3.560 -7.479 1.00 0.15 O ATOM 855 CB THR A 56 0.798 5.083 -9.621 1.00 0.21 C ATOM 856 OG1 THR A 56 1.934 5.604 -10.321 1.00 0.26 O ATOM 857 CG2 THR A 56 -0.477 5.679 -10.202 1.00 0.21 C ATOM 0 H THR A 56 2.190 3.863 -7.503 1.00 0.18 H new ATOM 0 HA THR A 56 0.908 6.479 -8.005 1.00 0.17 H new ATOM 0 HB THR A 56 0.762 4.000 -9.741 1.00 0.21 H new ATOM 0 HG1 THR A 56 2.742 5.131 -10.032 1.00 0.26 H new ATOM 0 HG21 THR A 56 -0.537 5.445 -11.265 1.00 0.21 H new ATOM 0 HG22 THR A 56 -1.342 5.259 -9.689 1.00 0.21 H new ATOM 0 HG23 THR A 56 -0.467 6.761 -10.069 1.00 0.21 H new ATOM 865 N GLY A 57 -0.982 5.574 -6.629 1.00 0.12 N ATOM 866 CA GLY A 57 -2.088 5.046 -5.862 1.00 0.11 C ATOM 867 C GLY A 57 -3.430 5.471 -6.395 1.00 0.10 C ATOM 868 O GLY A 57 -3.580 6.567 -6.933 1.00 0.10 O ATOM 0 H GLY A 57 -0.834 6.579 -6.542 1.00 0.12 H new ATOM 0 HA2 GLY A 57 -2.033 3.957 -5.858 1.00 0.11 H new ATOM 0 HA3 GLY A 57 -1.994 5.374 -4.827 1.00 0.11 H new ATOM 872 N ARG A 58 -4.407 4.592 -6.250 1.00 0.12 N ATOM 873 CA ARG A 58 -5.755 4.877 -6.702 1.00 0.13 C ATOM 874 C ARG A 58 -6.766 4.187 -5.800 1.00 0.15 C ATOM 875 O ARG A 58 -6.502 3.113 -5.261 1.00 0.19 O ATOM 876 CB ARG A 58 -5.934 4.427 -8.155 1.00 0.18 C ATOM 877 CG ARG A 58 -5.711 2.940 -8.378 1.00 0.90 C ATOM 878 CD ARG A 58 -7.009 2.158 -8.254 1.00 0.40 C ATOM 879 NE ARG A 58 -6.848 0.762 -8.657 1.00 1.00 N ATOM 880 CZ ARG A 58 -7.825 0.030 -9.187 1.00 0.99 C ATOM 881 NH1 ARG A 58 -9.024 0.562 -9.385 1.00 0.89 N ATOM 882 NH2 ARG A 58 -7.600 -1.232 -9.526 1.00 1.93 N ATOM 0 H ARG A 58 -4.290 3.674 -5.822 1.00 0.12 H new ATOM 0 HA ARG A 58 -5.923 5.953 -6.652 1.00 0.13 H new ATOM 0 HB2 ARG A 58 -6.941 4.685 -8.482 1.00 0.18 H new ATOM 0 HB3 ARG A 58 -5.241 4.985 -8.785 1.00 0.18 H new ATOM 0 HG2 ARG A 58 -5.281 2.780 -9.367 1.00 0.90 H new ATOM 0 HG3 ARG A 58 -4.989 2.566 -7.652 1.00 0.90 H new ATOM 0 HD2 ARG A 58 -7.360 2.199 -7.223 1.00 0.40 H new ATOM 0 HD3 ARG A 58 -7.775 2.627 -8.871 1.00 0.40 H new ATOM 0 HE ARG A 58 -5.936 0.325 -8.525 1.00 1.00 H new ATOM 0 HH11 ARG A 58 -9.199 1.534 -9.131 1.00 0.89 H new ATOM 0 HH12 ARG A 58 -9.771 -0.001 -9.791 1.00 0.89 H new ATOM 0 HH21 ARG A 58 -6.678 -1.642 -9.381 1.00 1.93 H new ATOM 0 HH22 ARG A 58 -8.349 -1.792 -9.932 1.00 1.93 H new ATOM 896 N LEU A 59 -7.922 4.812 -5.640 1.00 0.16 N ATOM 897 CA LEU A 59 -8.976 4.252 -4.809 1.00 0.19 C ATOM 898 C LEU A 59 -9.691 3.139 -5.553 1.00 0.20 C ATOM 899 O LEU A 59 -9.584 3.035 -6.774 1.00 0.22 O ATOM 900 CB LEU A 59 -9.981 5.341 -4.420 1.00 0.22 C ATOM 901 CG LEU A 59 -9.383 6.567 -3.726 1.00 0.78 C ATOM 902 CD1 LEU A 59 -10.367 7.728 -3.750 1.00 1.21 C ATOM 903 CD2 LEU A 59 -8.996 6.232 -2.295 1.00 1.07 C ATOM 0 H LEU A 59 -8.154 5.706 -6.074 1.00 0.16 H new ATOM 0 HA LEU A 59 -8.525 3.846 -3.904 1.00 0.19 H new ATOM 0 HB2 LEU A 59 -10.500 5.671 -5.320 1.00 0.22 H new ATOM 0 HB3 LEU A 59 -10.731 4.902 -3.762 1.00 0.22 H new ATOM 0 HG LEU A 59 -8.485 6.864 -4.268 1.00 0.78 H new ATOM 0 HD11 LEU A 59 -9.924 8.591 -3.252 1.00 1.21 H new ATOM 0 HD12 LEU A 59 -10.601 7.986 -4.783 1.00 1.21 H new ATOM 0 HD13 LEU A 59 -11.282 7.440 -3.232 1.00 1.21 H new ATOM 0 HD21 LEU A 59 -8.572 7.115 -1.816 1.00 1.07 H new ATOM 0 HD22 LEU A 59 -9.880 5.910 -1.745 1.00 1.07 H new ATOM 0 HD23 LEU A 59 -8.257 5.430 -2.296 1.00 1.07 H new ATOM 915 N ILE A 60 -10.415 2.299 -4.818 1.00 0.25 N ATOM 916 CA ILE A 60 -11.161 1.215 -5.437 1.00 0.28 C ATOM 917 C ILE A 60 -12.161 1.791 -6.434 1.00 0.29 C ATOM 918 O ILE A 60 -12.759 1.069 -7.231 1.00 0.32 O ATOM 919 CB ILE A 60 -11.900 0.357 -4.383 1.00 0.34 C ATOM 920 CG1 ILE A 60 -12.657 -0.801 -5.045 1.00 0.64 C ATOM 921 CG2 ILE A 60 -12.849 1.222 -3.566 1.00 0.61 C ATOM 922 CD1 ILE A 60 -11.777 -1.724 -5.861 1.00 0.52 C ATOM 0 H ILE A 60 -10.499 2.349 -3.803 1.00 0.25 H new ATOM 0 HA ILE A 60 -10.453 0.567 -5.954 1.00 0.28 H new ATOM 0 HB ILE A 60 -11.155 -0.071 -3.712 1.00 0.34 H new ATOM 0 HG12 ILE A 60 -13.158 -1.383 -4.272 1.00 0.64 H new ATOM 0 HG13 ILE A 60 -13.434 -0.392 -5.690 1.00 0.64 H new ATOM 0 HG21 ILE A 60 -13.361 0.604 -2.829 1.00 0.61 H new ATOM 0 HG22 ILE A 60 -12.283 2.001 -3.056 1.00 0.61 H new ATOM 0 HG23 ILE A 60 -13.583 1.681 -4.228 1.00 0.61 H new ATOM 0 HD11 ILE A 60 -12.386 -2.516 -6.296 1.00 0.52 H new ATOM 0 HD12 ILE A 60 -11.295 -1.157 -6.658 1.00 0.52 H new ATOM 0 HD13 ILE A 60 -11.015 -2.164 -5.217 1.00 0.52 H new ATOM 934 N ASP A 61 -12.319 3.111 -6.383 1.00 0.30 N ATOM 935 CA ASP A 61 -13.234 3.808 -7.279 1.00 0.36 C ATOM 936 C ASP A 61 -12.733 3.744 -8.719 1.00 0.36 C ATOM 937 O ASP A 61 -13.466 4.064 -9.655 1.00 0.42 O ATOM 938 CB ASP A 61 -13.397 5.267 -6.849 1.00 0.40 C ATOM 939 CG ASP A 61 -14.008 5.395 -5.467 1.00 1.07 C ATOM 940 OD1 ASP A 61 -13.244 5.403 -4.478 1.00 2.01 O ATOM 941 OD2 ASP A 61 -15.250 5.487 -5.373 1.00 0.95 O ATOM 0 H ASP A 61 -11.824 3.719 -5.730 1.00 0.30 H new ATOM 0 HA ASP A 61 -14.203 3.313 -7.224 1.00 0.36 H new ATOM 0 HB2 ASP A 61 -12.424 5.758 -6.860 1.00 0.40 H new ATOM 0 HB3 ASP A 61 -14.025 5.788 -7.571 1.00 0.40 H new ATOM 946 N GLY A 62 -11.479 3.326 -8.888 1.00 0.31 N ATOM 947 CA GLY A 62 -10.908 3.221 -10.219 1.00 0.37 C ATOM 948 C GLY A 62 -10.210 4.490 -10.673 1.00 0.38 C ATOM 949 O GLY A 62 -9.663 4.537 -11.775 1.00 0.45 O ATOM 0 H GLY A 62 -10.852 3.060 -8.129 1.00 0.31 H new ATOM 0 HA2 GLY A 62 -10.196 2.396 -10.238 1.00 0.37 H new ATOM 0 HA3 GLY A 62 -11.699 2.976 -10.928 1.00 0.37 H new ATOM 953 N THR A 63 -10.221 5.522 -9.832 1.00 0.33 N ATOM 954 CA THR A 63 -9.604 6.791 -10.181 1.00 0.37 C ATOM 955 C THR A 63 -8.431 7.111 -9.264 1.00 0.31 C ATOM 956 O THR A 63 -8.526 6.970 -8.045 1.00 0.30 O ATOM 957 CB THR A 63 -10.623 7.942 -10.103 1.00 0.44 C ATOM 958 OG1 THR A 63 -11.184 8.012 -8.786 1.00 1.40 O ATOM 959 CG2 THR A 63 -11.735 7.750 -11.123 1.00 1.28 C ATOM 0 H THR A 63 -10.650 5.501 -8.907 1.00 0.33 H new ATOM 0 HA THR A 63 -9.242 6.694 -11.204 1.00 0.37 H new ATOM 0 HB THR A 63 -10.103 8.874 -10.326 1.00 0.44 H new ATOM 0 HG1 THR A 63 -11.830 8.748 -8.744 1.00 1.40 H new ATOM 0 HG21 THR A 63 -12.443 8.575 -11.049 1.00 1.28 H new ATOM 0 HG22 THR A 63 -11.309 7.726 -12.126 1.00 1.28 H new ATOM 0 HG23 THR A 63 -12.251 6.810 -10.926 1.00 1.28 H new ATOM 967 N VAL A 64 -7.327 7.543 -9.862 1.00 0.28 N ATOM 968 CA VAL A 64 -6.139 7.895 -9.110 1.00 0.22 C ATOM 969 C VAL A 64 -6.435 9.064 -8.186 1.00 0.20 C ATOM 970 O VAL A 64 -7.026 10.063 -8.597 1.00 0.23 O ATOM 971 CB VAL A 64 -4.973 8.262 -10.052 1.00 0.22 C ATOM 972 CG1 VAL A 64 -5.377 9.379 -11.003 1.00 0.25 C ATOM 973 CG2 VAL A 64 -3.736 8.654 -9.256 1.00 0.18 C ATOM 0 H VAL A 64 -7.235 7.657 -10.871 1.00 0.28 H new ATOM 0 HA VAL A 64 -5.845 7.028 -8.519 1.00 0.22 H new ATOM 0 HB VAL A 64 -4.729 7.381 -10.646 1.00 0.22 H new ATOM 0 HG11 VAL A 64 -4.539 9.621 -11.657 1.00 0.25 H new ATOM 0 HG12 VAL A 64 -6.226 9.055 -11.605 1.00 0.25 H new ATOM 0 HG13 VAL A 64 -5.656 10.263 -10.429 1.00 0.25 H new ATOM 0 HG21 VAL A 64 -2.928 8.908 -9.942 1.00 0.18 H new ATOM 0 HG22 VAL A 64 -3.965 9.516 -8.629 1.00 0.18 H new ATOM 0 HG23 VAL A 64 -3.429 7.819 -8.627 1.00 0.18 H new ATOM 983 N PHE A 65 -6.027 8.934 -6.935 1.00 0.18 N ATOM 984 CA PHE A 65 -6.253 9.985 -5.955 1.00 0.20 C ATOM 985 C PHE A 65 -5.012 10.862 -5.797 1.00 0.20 C ATOM 986 O PHE A 65 -5.107 12.010 -5.362 1.00 0.24 O ATOM 987 CB PHE A 65 -6.688 9.383 -4.602 1.00 0.21 C ATOM 988 CG PHE A 65 -5.710 8.432 -3.942 1.00 0.17 C ATOM 989 CD1 PHE A 65 -4.491 8.107 -4.518 1.00 0.15 C ATOM 990 CD2 PHE A 65 -6.020 7.881 -2.715 1.00 0.18 C ATOM 991 CE1 PHE A 65 -3.609 7.260 -3.884 1.00 0.15 C ATOM 992 CE2 PHE A 65 -5.144 7.026 -2.082 1.00 0.18 C ATOM 993 CZ PHE A 65 -3.934 6.714 -2.668 1.00 0.17 C ATOM 0 H PHE A 65 -5.539 8.114 -6.574 1.00 0.18 H new ATOM 0 HA PHE A 65 -7.062 10.620 -6.316 1.00 0.20 H new ATOM 0 HB2 PHE A 65 -6.886 10.203 -3.911 1.00 0.21 H new ATOM 0 HB3 PHE A 65 -7.630 8.856 -4.750 1.00 0.21 H new ATOM 0 HD1 PHE A 65 -4.229 8.525 -5.479 1.00 0.15 H new ATOM 0 HD2 PHE A 65 -6.962 8.123 -2.245 1.00 0.18 H new ATOM 0 HE1 PHE A 65 -2.661 7.025 -4.345 1.00 0.15 H new ATOM 0 HE2 PHE A 65 -5.405 6.599 -1.125 1.00 0.18 H new ATOM 0 HZ PHE A 65 -3.247 6.044 -2.172 1.00 0.17 H new ATOM 1003 N ASP A 66 -3.853 10.316 -6.160 1.00 0.18 N ATOM 1004 CA ASP A 66 -2.600 11.047 -6.071 1.00 0.19 C ATOM 1005 C ASP A 66 -1.447 10.227 -6.642 1.00 0.17 C ATOM 1006 O ASP A 66 -1.266 9.061 -6.290 1.00 0.18 O ATOM 1007 CB ASP A 66 -2.302 11.437 -4.622 1.00 0.25 C ATOM 1008 CG ASP A 66 -0.997 12.198 -4.483 1.00 0.27 C ATOM 1009 OD1 ASP A 66 -0.997 13.424 -4.722 1.00 0.30 O ATOM 1010 OD2 ASP A 66 0.023 11.568 -4.134 1.00 0.30 O ATOM 0 H ASP A 66 -3.760 9.366 -6.519 1.00 0.18 H new ATOM 0 HA ASP A 66 -2.702 11.956 -6.663 1.00 0.19 H new ATOM 0 HB2 ASP A 66 -3.118 12.049 -4.238 1.00 0.25 H new ATOM 0 HB3 ASP A 66 -2.262 10.537 -4.008 1.00 0.25 H new ATOM 1015 N SER A 67 -0.673 10.844 -7.523 1.00 0.17 N ATOM 1016 CA SER A 67 0.473 10.185 -8.139 1.00 0.19 C ATOM 1017 C SER A 67 1.741 11.012 -7.934 1.00 0.18 C ATOM 1018 O SER A 67 1.786 12.187 -8.299 1.00 0.22 O ATOM 1019 CB SER A 67 0.220 9.977 -9.633 1.00 0.25 C ATOM 1020 OG SER A 67 -0.181 11.185 -10.255 1.00 1.30 O ATOM 0 H SER A 67 -0.818 11.806 -7.830 1.00 0.17 H new ATOM 0 HA SER A 67 0.610 9.214 -7.663 1.00 0.19 H new ATOM 0 HB2 SER A 67 1.126 9.602 -10.110 1.00 0.25 H new ATOM 0 HB3 SER A 67 -0.551 9.219 -9.772 1.00 0.25 H new ATOM 0 HG SER A 67 -0.487 10.997 -11.167 1.00 1.30 H new ATOM 1026 N THR A 68 2.771 10.398 -7.350 1.00 0.19 N ATOM 1027 CA THR A 68 4.026 11.101 -7.102 1.00 0.21 C ATOM 1028 C THR A 68 4.910 11.098 -8.345 1.00 0.28 C ATOM 1029 O THR A 68 5.748 11.980 -8.525 1.00 0.34 O ATOM 1030 CB THR A 68 4.799 10.481 -5.919 1.00 0.20 C ATOM 1031 OG1 THR A 68 5.189 9.140 -6.235 1.00 0.27 O ATOM 1032 CG2 THR A 68 3.941 10.482 -4.663 1.00 0.28 C ATOM 0 H THR A 68 2.760 9.425 -7.043 1.00 0.19 H new ATOM 0 HA THR A 68 3.770 12.130 -6.848 1.00 0.21 H new ATOM 0 HB THR A 68 5.690 11.082 -5.737 1.00 0.20 H new ATOM 0 HG1 THR A 68 6.023 8.923 -5.768 1.00 0.27 H new ATOM 0 HG21 THR A 68 4.502 10.041 -3.839 1.00 0.28 H new ATOM 0 HG22 THR A 68 3.668 11.506 -4.409 1.00 0.28 H new ATOM 0 HG23 THR A 68 3.037 9.899 -4.839 1.00 0.28 H new ATOM 1040 N GLU A 69 4.712 10.103 -9.204 1.00 0.42 N ATOM 1041 CA GLU A 69 5.488 9.987 -10.433 1.00 0.56 C ATOM 1042 C GLU A 69 5.026 11.007 -11.469 1.00 0.66 C ATOM 1043 O GLU A 69 5.839 11.589 -12.187 1.00 0.75 O ATOM 1044 CB GLU A 69 5.366 8.575 -11.006 1.00 0.75 C ATOM 1045 CG GLU A 69 5.781 7.488 -10.030 1.00 1.17 C ATOM 1046 CD GLU A 69 5.758 6.105 -10.652 1.00 1.66 C ATOM 1047 OE1 GLU A 69 4.685 5.466 -10.639 1.00 2.05 O ATOM 1048 OE2 GLU A 69 6.813 5.660 -11.151 1.00 2.11 O ATOM 0 H GLU A 69 4.020 9.365 -9.071 1.00 0.42 H new ATOM 0 HA GLU A 69 6.532 10.187 -10.192 1.00 0.56 H new ATOM 0 HB2 GLU A 69 4.334 8.403 -11.312 1.00 0.75 H new ATOM 0 HB3 GLU A 69 5.981 8.501 -11.903 1.00 0.75 H new ATOM 0 HG2 GLU A 69 6.785 7.700 -9.661 1.00 1.17 H new ATOM 0 HG3 GLU A 69 5.115 7.506 -9.168 1.00 1.17 H new ATOM 1055 N LYS A 70 3.715 11.215 -11.543 1.00 0.69 N ATOM 1056 CA LYS A 70 3.144 12.164 -12.494 1.00 0.84 C ATOM 1057 C LYS A 70 3.615 13.580 -12.188 1.00 0.85 C ATOM 1058 O LYS A 70 3.994 14.326 -13.092 1.00 1.01 O ATOM 1059 CB LYS A 70 1.615 12.093 -12.463 1.00 0.91 C ATOM 1060 CG LYS A 70 0.936 12.854 -13.593 1.00 1.63 C ATOM 1061 CD LYS A 70 0.735 14.322 -13.244 1.00 1.87 C ATOM 1062 CE LYS A 70 -0.052 15.050 -14.323 1.00 2.76 C ATOM 1063 NZ LYS A 70 -1.422 14.490 -14.485 1.00 3.41 N ATOM 0 H LYS A 70 3.028 10.740 -10.957 1.00 0.69 H new ATOM 0 HA LYS A 70 3.486 11.897 -13.494 1.00 0.84 H new ATOM 0 HB2 LYS A 70 1.309 11.048 -12.508 1.00 0.91 H new ATOM 0 HB3 LYS A 70 1.263 12.488 -11.510 1.00 0.91 H new ATOM 0 HG2 LYS A 70 1.538 12.775 -14.498 1.00 1.63 H new ATOM 0 HG3 LYS A 70 -0.029 12.397 -13.811 1.00 1.63 H new ATOM 0 HD2 LYS A 70 0.209 14.402 -12.293 1.00 1.87 H new ATOM 0 HD3 LYS A 70 1.705 14.802 -13.114 1.00 1.87 H new ATOM 0 HE2 LYS A 70 -0.120 16.108 -14.071 1.00 2.76 H new ATOM 0 HE3 LYS A 70 0.482 14.982 -15.271 1.00 2.76 H new ATOM 0 HZ1 LYS A 70 -2.011 15.162 -15.017 1.00 3.41 H new ATOM 0 HZ2 LYS A 70 -1.370 13.590 -15.003 1.00 3.41 H new ATOM 0 HZ3 LYS A 70 -1.843 14.327 -13.548 1.00 3.41 H new ATOM 1077 N THR A 71 3.587 13.946 -10.910 1.00 0.73 N ATOM 1078 CA THR A 71 4.017 15.273 -10.487 1.00 0.82 C ATOM 1079 C THR A 71 5.462 15.525 -10.902 1.00 0.82 C ATOM 1080 O THR A 71 5.898 16.672 -11.013 1.00 0.97 O ATOM 1081 CB THR A 71 3.890 15.441 -8.958 1.00 0.76 C ATOM 1082 OG1 THR A 71 2.548 15.156 -8.546 1.00 1.25 O ATOM 1083 CG2 THR A 71 4.263 16.854 -8.532 1.00 1.47 C ATOM 0 H THR A 71 3.271 13.342 -10.151 1.00 0.73 H new ATOM 0 HA THR A 71 3.366 15.998 -10.975 1.00 0.82 H new ATOM 0 HB THR A 71 4.577 14.742 -8.481 1.00 0.76 H new ATOM 0 HG1 THR A 71 2.418 14.186 -8.503 1.00 1.25 H new ATOM 0 HG21 THR A 71 4.165 16.946 -7.450 1.00 1.47 H new ATOM 0 HG22 THR A 71 5.293 17.061 -8.822 1.00 1.47 H new ATOM 0 HG23 THR A 71 3.598 17.568 -9.018 1.00 1.47 H new ATOM 1091 N GLY A 72 6.197 14.442 -11.140 1.00 0.69 N ATOM 1092 CA GLY A 72 7.583 14.560 -11.541 1.00 0.70 C ATOM 1093 C GLY A 72 8.525 14.566 -10.357 1.00 0.60 C ATOM 1094 O GLY A 72 9.725 14.795 -10.511 1.00 0.60 O ATOM 0 H GLY A 72 5.854 13.485 -11.061 1.00 0.69 H new ATOM 0 HA2 GLY A 72 7.839 13.732 -12.202 1.00 0.70 H new ATOM 0 HA3 GLY A 72 7.716 15.478 -12.113 1.00 0.70 H new ATOM 1098 N LYS A 73 7.981 14.311 -9.171 1.00 0.54 N ATOM 1099 CA LYS A 73 8.781 14.293 -7.955 1.00 0.49 C ATOM 1100 C LYS A 73 8.598 12.976 -7.200 1.00 0.40 C ATOM 1101 O LYS A 73 7.497 12.667 -6.747 1.00 0.43 O ATOM 1102 CB LYS A 73 8.389 15.465 -7.056 1.00 0.60 C ATOM 1103 CG LYS A 73 8.727 16.823 -7.650 1.00 1.47 C ATOM 1104 CD LYS A 73 8.318 17.957 -6.724 1.00 1.89 C ATOM 1105 CE LYS A 73 8.723 19.308 -7.291 1.00 2.37 C ATOM 1106 NZ LYS A 73 8.312 20.431 -6.403 1.00 3.05 N ATOM 0 H LYS A 73 6.990 14.114 -9.028 1.00 0.54 H new ATOM 0 HA LYS A 73 9.830 14.386 -8.235 1.00 0.49 H new ATOM 0 HB2 LYS A 73 7.318 15.420 -6.859 1.00 0.60 H new ATOM 0 HB3 LYS A 73 8.894 15.361 -6.096 1.00 0.60 H new ATOM 0 HG2 LYS A 73 9.798 16.879 -7.844 1.00 1.47 H new ATOM 0 HG3 LYS A 73 8.223 16.937 -8.610 1.00 1.47 H new ATOM 0 HD2 LYS A 73 7.239 17.933 -6.571 1.00 1.89 H new ATOM 0 HD3 LYS A 73 8.781 17.817 -5.747 1.00 1.89 H new ATOM 0 HE2 LYS A 73 9.804 19.333 -7.431 1.00 2.37 H new ATOM 0 HE3 LYS A 73 8.271 19.439 -8.274 1.00 2.37 H new ATOM 0 HZ1 LYS A 73 8.607 21.334 -6.826 1.00 3.05 H new ATOM 0 HZ2 LYS A 73 7.278 20.423 -6.289 1.00 3.05 H new ATOM 0 HZ3 LYS A 73 8.763 20.321 -5.473 1.00 3.05 H new ATOM 1120 N PRO A 74 9.678 12.184 -7.048 1.00 0.33 N ATOM 1121 CA PRO A 74 9.617 10.903 -6.336 1.00 0.29 C ATOM 1122 C PRO A 74 9.071 11.058 -4.924 1.00 0.24 C ATOM 1123 O PRO A 74 9.134 12.141 -4.340 1.00 0.27 O ATOM 1124 CB PRO A 74 11.076 10.445 -6.291 1.00 0.33 C ATOM 1125 CG PRO A 74 11.730 11.139 -7.435 1.00 0.51 C ATOM 1126 CD PRO A 74 11.035 12.465 -7.557 1.00 0.38 C ATOM 0 HA PRO A 74 8.951 10.196 -6.830 1.00 0.29 H new ATOM 0 HB2 PRO A 74 11.546 10.714 -5.345 1.00 0.33 H new ATOM 0 HB3 PRO A 74 11.154 9.362 -6.389 1.00 0.33 H new ATOM 0 HG2 PRO A 74 12.797 11.271 -7.255 1.00 0.51 H new ATOM 0 HG3 PRO A 74 11.631 10.559 -8.353 1.00 0.51 H new ATOM 0 HD2 PRO A 74 11.533 13.236 -6.970 1.00 0.38 H new ATOM 0 HD3 PRO A 74 11.013 12.815 -8.589 1.00 0.38 H new ATOM 1134 N ALA A 75 8.542 9.971 -4.374 1.00 0.21 N ATOM 1135 CA ALA A 75 7.992 9.995 -3.028 1.00 0.19 C ATOM 1136 C ALA A 75 9.034 9.537 -2.014 1.00 0.18 C ATOM 1137 O ALA A 75 9.578 8.441 -2.126 1.00 0.19 O ATOM 1138 CB ALA A 75 6.752 9.122 -2.945 1.00 0.23 C ATOM 0 H ALA A 75 8.483 9.065 -4.840 1.00 0.21 H new ATOM 0 HA ALA A 75 7.710 11.021 -2.791 1.00 0.19 H new ATOM 0 HB1 ALA A 75 6.353 9.152 -1.931 1.00 0.23 H new ATOM 0 HB2 ALA A 75 5.999 9.492 -3.642 1.00 0.23 H new ATOM 0 HB3 ALA A 75 7.012 8.095 -3.203 1.00 0.23 H new ATOM 1144 N THR A 76 9.304 10.377 -1.021 1.00 0.18 N ATOM 1145 CA THR A 76 10.286 10.052 0.007 1.00 0.18 C ATOM 1146 C THR A 76 9.684 10.175 1.403 1.00 0.21 C ATOM 1147 O THR A 76 9.249 11.253 1.809 1.00 0.26 O ATOM 1148 CB THR A 76 11.529 10.958 -0.092 1.00 0.21 C ATOM 1149 OG1 THR A 76 12.377 10.752 1.044 1.00 1.15 O ATOM 1150 CG2 THR A 76 11.130 12.424 -0.176 1.00 1.26 C ATOM 0 H THR A 76 8.857 11.287 -0.906 1.00 0.18 H new ATOM 0 HA THR A 76 10.589 9.019 -0.162 1.00 0.18 H new ATOM 0 HB THR A 76 12.069 10.695 -1.001 1.00 0.21 H new ATOM 0 HG1 THR A 76 13.165 11.330 0.973 1.00 1.15 H new ATOM 0 HG21 THR A 76 12.026 13.041 -0.245 1.00 1.26 H new ATOM 0 HG22 THR A 76 10.511 12.583 -1.059 1.00 1.26 H new ATOM 0 HG23 THR A 76 10.567 12.700 0.716 1.00 1.26 H new ATOM 1158 N PHE A 77 9.656 9.064 2.132 1.00 0.20 N ATOM 1159 CA PHE A 77 9.094 9.056 3.480 1.00 0.26 C ATOM 1160 C PHE A 77 9.619 7.883 4.309 1.00 0.26 C ATOM 1161 O PHE A 77 10.168 6.921 3.773 1.00 0.29 O ATOM 1162 CB PHE A 77 7.570 8.976 3.402 1.00 0.28 C ATOM 1163 CG PHE A 77 7.081 7.771 2.649 1.00 0.26 C ATOM 1164 CD1 PHE A 77 7.007 7.787 1.264 1.00 0.25 C ATOM 1165 CD2 PHE A 77 6.705 6.617 3.322 1.00 0.32 C ATOM 1166 CE1 PHE A 77 6.570 6.677 0.566 1.00 0.29 C ATOM 1167 CE2 PHE A 77 6.265 5.507 2.629 1.00 0.36 C ATOM 1168 CZ PHE A 77 6.199 5.537 1.249 1.00 0.34 C ATOM 0 H PHE A 77 10.013 8.162 1.816 1.00 0.20 H new ATOM 0 HA PHE A 77 9.400 9.980 3.970 1.00 0.26 H new ATOM 0 HB2 PHE A 77 7.161 8.956 4.412 1.00 0.28 H new ATOM 0 HB3 PHE A 77 7.189 9.877 2.921 1.00 0.28 H new ATOM 0 HD1 PHE A 77 7.294 8.677 0.725 1.00 0.25 H new ATOM 0 HD2 PHE A 77 6.757 6.587 4.400 1.00 0.32 H new ATOM 0 HE1 PHE A 77 6.519 6.702 -0.513 1.00 0.29 H new ATOM 0 HE2 PHE A 77 5.973 4.616 3.165 1.00 0.36 H new ATOM 0 HZ PHE A 77 5.857 4.669 0.705 1.00 0.34 H new ATOM 1178 N GLN A 78 9.439 7.984 5.624 1.00 0.30 N ATOM 1179 CA GLN A 78 9.855 6.938 6.552 1.00 0.36 C ATOM 1180 C GLN A 78 8.771 5.860 6.607 1.00 0.31 C ATOM 1181 O GLN A 78 7.580 6.170 6.648 1.00 0.35 O ATOM 1182 CB GLN A 78 10.119 7.558 7.934 1.00 0.52 C ATOM 1183 CG GLN A 78 9.596 6.767 9.129 1.00 1.03 C ATOM 1184 CD GLN A 78 10.553 5.683 9.589 1.00 1.02 C ATOM 1185 OE1 GLN A 78 10.697 5.436 10.786 1.00 1.58 O ATOM 1186 NE2 GLN A 78 11.203 5.022 8.643 1.00 1.00 N ATOM 0 H GLN A 78 9.003 8.789 6.073 1.00 0.30 H new ATOM 0 HA GLN A 78 10.780 6.470 6.216 1.00 0.36 H new ATOM 0 HB2 GLN A 78 11.195 7.690 8.052 1.00 0.52 H new ATOM 0 HB3 GLN A 78 9.672 8.552 7.957 1.00 0.52 H new ATOM 0 HG2 GLN A 78 9.407 7.452 9.956 1.00 1.03 H new ATOM 0 HG3 GLN A 78 8.641 6.313 8.867 1.00 1.03 H new ATOM 0 HE21 GLN A 78 11.055 5.258 7.662 1.00 1.00 H new ATOM 0 HE22 GLN A 78 11.852 4.277 8.896 1.00 1.00 H new ATOM 1195 N VAL A 79 9.190 4.601 6.611 1.00 0.30 N ATOM 1196 CA VAL A 79 8.255 3.476 6.609 1.00 0.31 C ATOM 1197 C VAL A 79 7.477 3.325 7.916 1.00 0.32 C ATOM 1198 O VAL A 79 6.430 2.679 7.938 1.00 0.42 O ATOM 1199 CB VAL A 79 8.983 2.153 6.309 1.00 0.36 C ATOM 1200 CG1 VAL A 79 9.718 2.240 4.981 1.00 1.07 C ATOM 1201 CG2 VAL A 79 9.945 1.802 7.435 1.00 0.90 C ATOM 0 H VAL A 79 10.173 4.330 6.616 1.00 0.30 H new ATOM 0 HA VAL A 79 7.537 3.701 5.821 1.00 0.31 H new ATOM 0 HB VAL A 79 8.239 1.359 6.238 1.00 0.36 H new ATOM 0 HG11 VAL A 79 10.227 1.296 4.784 1.00 1.07 H new ATOM 0 HG12 VAL A 79 9.004 2.440 4.182 1.00 1.07 H new ATOM 0 HG13 VAL A 79 10.451 3.046 5.023 1.00 1.07 H new ATOM 0 HG21 VAL A 79 10.449 0.864 7.204 1.00 0.90 H new ATOM 0 HG22 VAL A 79 10.685 2.595 7.542 1.00 0.90 H new ATOM 0 HG23 VAL A 79 9.390 1.695 8.367 1.00 0.90 H new ATOM 1211 N SER A 80 7.979 3.903 9.001 1.00 0.30 N ATOM 1212 CA SER A 80 7.303 3.797 10.295 1.00 0.36 C ATOM 1213 C SER A 80 6.402 5.000 10.569 1.00 0.34 C ATOM 1214 O SER A 80 5.721 5.050 11.593 1.00 0.42 O ATOM 1215 CB SER A 80 8.325 3.654 11.423 1.00 0.46 C ATOM 1216 OG SER A 80 7.683 3.466 12.672 1.00 1.14 O ATOM 0 H SER A 80 8.843 4.445 9.015 1.00 0.30 H new ATOM 0 HA SER A 80 6.675 2.907 10.256 1.00 0.36 H new ATOM 0 HB2 SER A 80 8.982 2.809 11.218 1.00 0.46 H new ATOM 0 HB3 SER A 80 8.953 4.544 11.464 1.00 0.46 H new ATOM 0 HG SER A 80 6.783 3.852 12.639 1.00 1.14 H new ATOM 1222 N GLN A 81 6.397 5.966 9.656 1.00 0.31 N ATOM 1223 CA GLN A 81 5.579 7.165 9.827 1.00 0.36 C ATOM 1224 C GLN A 81 4.242 7.052 9.095 1.00 0.32 C ATOM 1225 O GLN A 81 3.472 8.011 9.049 1.00 0.37 O ATOM 1226 CB GLN A 81 6.338 8.403 9.346 1.00 0.46 C ATOM 1227 CG GLN A 81 7.146 9.080 10.441 1.00 1.09 C ATOM 1228 CD GLN A 81 7.888 10.307 9.949 1.00 1.48 C ATOM 1229 OE1 GLN A 81 7.353 11.415 9.956 1.00 2.08 O ATOM 1230 NE2 GLN A 81 9.131 10.117 9.526 1.00 1.80 N ATOM 0 H GLN A 81 6.945 5.945 8.796 1.00 0.31 H new ATOM 0 HA GLN A 81 5.367 7.264 10.892 1.00 0.36 H new ATOM 0 HB2 GLN A 81 7.008 8.117 8.535 1.00 0.46 H new ATOM 0 HB3 GLN A 81 5.627 9.119 8.934 1.00 0.46 H new ATOM 0 HG2 GLN A 81 6.479 9.366 11.254 1.00 1.09 H new ATOM 0 HG3 GLN A 81 7.862 8.368 10.851 1.00 1.09 H new ATOM 0 HE21 GLN A 81 9.536 9.181 9.537 1.00 1.80 H new ATOM 0 HE22 GLN A 81 9.682 10.907 9.190 1.00 1.80 H new ATOM 1239 N VAL A 82 3.968 5.881 8.526 1.00 0.26 N ATOM 1240 CA VAL A 82 2.719 5.662 7.801 1.00 0.26 C ATOM 1241 C VAL A 82 1.763 4.760 8.583 1.00 0.24 C ATOM 1242 O VAL A 82 2.049 4.380 9.719 1.00 0.24 O ATOM 1243 CB VAL A 82 2.976 5.054 6.409 1.00 0.30 C ATOM 1244 CG1 VAL A 82 3.447 6.127 5.440 1.00 0.45 C ATOM 1245 CG2 VAL A 82 3.995 3.928 6.498 1.00 0.25 C ATOM 0 H VAL A 82 4.590 5.073 8.552 1.00 0.26 H new ATOM 0 HA VAL A 82 2.254 6.640 7.679 1.00 0.26 H new ATOM 0 HB VAL A 82 2.040 4.639 6.035 1.00 0.30 H new ATOM 0 HG11 VAL A 82 3.624 5.681 4.461 1.00 0.45 H new ATOM 0 HG12 VAL A 82 2.683 6.900 5.354 1.00 0.45 H new ATOM 0 HG13 VAL A 82 4.372 6.570 5.809 1.00 0.45 H new ATOM 0 HG21 VAL A 82 4.164 3.511 5.505 1.00 0.25 H new ATOM 0 HG22 VAL A 82 4.934 4.317 6.892 1.00 0.25 H new ATOM 0 HG23 VAL A 82 3.619 3.148 7.160 1.00 0.25 H new ATOM 1255 N ILE A 83 0.627 4.423 7.970 1.00 0.25 N ATOM 1256 CA ILE A 83 -0.376 3.575 8.614 1.00 0.26 C ATOM 1257 C ILE A 83 0.215 2.236 9.056 1.00 0.26 C ATOM 1258 O ILE A 83 1.124 1.711 8.413 1.00 0.23 O ATOM 1259 CB ILE A 83 -1.595 3.319 7.701 1.00 0.30 C ATOM 1260 CG1 ILE A 83 -1.173 2.657 6.378 1.00 0.29 C ATOM 1261 CG2 ILE A 83 -2.347 4.620 7.448 1.00 0.32 C ATOM 1262 CD1 ILE A 83 -0.597 3.612 5.349 1.00 0.75 C ATOM 0 H ILE A 83 0.379 4.725 7.028 1.00 0.25 H new ATOM 0 HA ILE A 83 -0.712 4.123 9.495 1.00 0.26 H new ATOM 0 HB ILE A 83 -2.265 2.627 8.212 1.00 0.30 H new ATOM 0 HG12 ILE A 83 -0.433 1.886 6.593 1.00 0.29 H new ATOM 0 HG13 ILE A 83 -2.039 2.156 5.945 1.00 0.29 H new ATOM 0 HG21 ILE A 83 -3.204 4.425 6.803 1.00 0.32 H new ATOM 0 HG22 ILE A 83 -2.693 5.031 8.397 1.00 0.32 H new ATOM 0 HG23 ILE A 83 -1.683 5.336 6.963 1.00 0.32 H new ATOM 0 HD11 ILE A 83 -0.328 3.058 4.450 1.00 0.75 H new ATOM 0 HD12 ILE A 83 -1.340 4.370 5.100 1.00 0.75 H new ATOM 0 HD13 ILE A 83 0.291 4.095 5.757 1.00 0.75 H new ATOM 1274 N PRO A 84 -0.301 1.668 10.169 1.00 0.32 N ATOM 1275 CA PRO A 84 0.180 0.396 10.718 1.00 0.34 C ATOM 1276 C PRO A 84 0.447 -0.660 9.652 1.00 0.31 C ATOM 1277 O PRO A 84 1.542 -1.221 9.585 1.00 0.32 O ATOM 1278 CB PRO A 84 -0.968 -0.042 11.622 1.00 0.43 C ATOM 1279 CG PRO A 84 -1.573 1.232 12.099 1.00 0.65 C ATOM 1280 CD PRO A 84 -1.407 2.225 10.978 1.00 0.41 C ATOM 0 HA PRO A 84 1.137 0.515 11.226 1.00 0.34 H new ATOM 0 HB2 PRO A 84 -1.693 -0.647 11.078 1.00 0.43 H new ATOM 0 HB3 PRO A 84 -0.609 -0.647 12.454 1.00 0.43 H new ATOM 0 HG2 PRO A 84 -2.626 1.095 12.344 1.00 0.65 H new ATOM 0 HG3 PRO A 84 -1.078 1.582 13.005 1.00 0.65 H new ATOM 0 HD2 PRO A 84 -2.321 2.322 10.392 1.00 0.41 H new ATOM 0 HD3 PRO A 84 -1.164 3.218 11.357 1.00 0.41 H new ATOM 1288 N GLY A 85 -0.555 -0.929 8.823 1.00 0.31 N ATOM 1289 CA GLY A 85 -0.401 -1.926 7.780 1.00 0.31 C ATOM 1290 C GLY A 85 0.836 -1.697 6.928 1.00 0.27 C ATOM 1291 O GLY A 85 1.638 -2.610 6.721 1.00 0.28 O ATOM 0 H GLY A 85 -1.469 -0.476 8.854 1.00 0.31 H new ATOM 0 HA2 GLY A 85 -0.346 -2.915 8.234 1.00 0.31 H new ATOM 0 HA3 GLY A 85 -1.284 -1.917 7.141 1.00 0.31 H new ATOM 1295 N TRP A 86 1.007 -0.466 6.460 1.00 0.25 N ATOM 1296 CA TRP A 86 2.147 -0.116 5.617 1.00 0.25 C ATOM 1297 C TRP A 86 3.474 -0.338 6.341 1.00 0.24 C ATOM 1298 O TRP A 86 4.394 -0.936 5.787 1.00 0.30 O ATOM 1299 CB TRP A 86 2.042 1.339 5.158 1.00 0.25 C ATOM 1300 CG TRP A 86 1.597 1.495 3.732 1.00 0.21 C ATOM 1301 CD1 TRP A 86 0.734 0.692 3.040 1.00 0.26 C ATOM 1302 CD2 TRP A 86 1.993 2.531 2.827 1.00 0.34 C ATOM 1303 NE1 TRP A 86 0.581 1.162 1.756 1.00 0.19 N ATOM 1304 CE2 TRP A 86 1.340 2.291 1.603 1.00 0.28 C ATOM 1305 CE3 TRP A 86 2.839 3.639 2.933 1.00 0.60 C ATOM 1306 CZ2 TRP A 86 1.509 3.117 0.495 1.00 0.44 C ATOM 1307 CZ3 TRP A 86 3.004 4.458 1.833 1.00 0.78 C ATOM 1308 CH2 TRP A 86 2.341 4.195 0.628 1.00 0.70 C ATOM 0 H TRP A 86 0.371 0.308 6.650 1.00 0.25 H new ATOM 0 HA TRP A 86 2.125 -0.772 4.747 1.00 0.25 H new ATOM 0 HB2 TRP A 86 1.342 1.865 5.807 1.00 0.25 H new ATOM 0 HB3 TRP A 86 3.013 1.820 5.280 1.00 0.25 H new ATOM 0 HD1 TRP A 86 0.244 -0.183 3.442 1.00 0.26 H new ATOM 0 HE1 TRP A 86 -0.003 0.738 1.035 1.00 0.19 H new ATOM 0 HE3 TRP A 86 3.354 3.851 3.858 1.00 0.60 H new ATOM 0 HZ2 TRP A 86 1.001 2.914 -0.436 1.00 0.44 H new ATOM 0 HZ3 TRP A 86 3.656 5.316 1.904 1.00 0.78 H new ATOM 0 HH2 TRP A 86 2.489 4.856 -0.213 1.00 0.70 H new ATOM 1319 N THR A 87 3.568 0.147 7.575 1.00 0.23 N ATOM 1320 CA THR A 87 4.793 0.006 8.360 1.00 0.26 C ATOM 1321 C THR A 87 5.245 -1.449 8.439 1.00 0.25 C ATOM 1322 O THR A 87 6.443 -1.736 8.473 1.00 0.26 O ATOM 1323 CB THR A 87 4.614 0.545 9.794 1.00 0.33 C ATOM 1324 OG1 THR A 87 3.738 -0.312 10.535 1.00 1.40 O ATOM 1325 CG2 THR A 87 4.049 1.958 9.782 1.00 1.25 C ATOM 0 H THR A 87 2.814 0.640 8.053 1.00 0.23 H new ATOM 0 HA THR A 87 5.554 0.593 7.846 1.00 0.26 H new ATOM 0 HB THR A 87 5.595 0.567 10.269 1.00 0.33 H new ATOM 0 HG1 THR A 87 3.095 -0.729 9.925 1.00 1.40 H new ATOM 0 HG21 THR A 87 3.933 2.312 10.806 1.00 1.25 H new ATOM 0 HG22 THR A 87 4.730 2.618 9.245 1.00 1.25 H new ATOM 0 HG23 THR A 87 3.078 1.957 9.287 1.00 1.25 H new ATOM 1333 N GLU A 88 4.283 -2.365 8.466 1.00 0.25 N ATOM 1334 CA GLU A 88 4.584 -3.790 8.556 1.00 0.28 C ATOM 1335 C GLU A 88 5.198 -4.332 7.266 1.00 0.28 C ATOM 1336 O GLU A 88 6.247 -4.976 7.295 1.00 0.34 O ATOM 1337 CB GLU A 88 3.315 -4.575 8.891 1.00 0.33 C ATOM 1338 CG GLU A 88 3.556 -6.062 9.091 1.00 0.69 C ATOM 1339 CD GLU A 88 4.478 -6.349 10.260 1.00 0.86 C ATOM 1340 OE1 GLU A 88 5.710 -6.350 10.059 1.00 1.15 O ATOM 1341 OE2 GLU A 88 3.967 -6.573 11.378 1.00 1.43 O ATOM 0 H GLU A 88 3.287 -2.146 8.427 1.00 0.25 H new ATOM 0 HA GLU A 88 5.319 -3.916 9.351 1.00 0.28 H new ATOM 0 HB2 GLU A 88 2.871 -4.162 9.797 1.00 0.33 H new ATOM 0 HB3 GLU A 88 2.590 -4.437 8.089 1.00 0.33 H new ATOM 0 HG2 GLU A 88 2.602 -6.563 9.254 1.00 0.69 H new ATOM 0 HG3 GLU A 88 3.986 -6.483 8.182 1.00 0.69 H new ATOM 1348 N ALA A 89 4.547 -4.070 6.136 1.00 0.26 N ATOM 1349 CA ALA A 89 5.028 -4.562 4.843 1.00 0.29 C ATOM 1350 C ALA A 89 6.334 -3.898 4.415 1.00 0.29 C ATOM 1351 O ALA A 89 7.277 -4.576 4.008 1.00 0.33 O ATOM 1352 CB ALA A 89 3.968 -4.357 3.773 1.00 0.29 C ATOM 0 H ALA A 89 3.688 -3.522 6.086 1.00 0.26 H new ATOM 0 HA ALA A 89 5.228 -5.627 4.962 1.00 0.29 H new ATOM 0 HB1 ALA A 89 4.339 -4.727 2.817 1.00 0.29 H new ATOM 0 HB2 ALA A 89 3.064 -4.902 4.047 1.00 0.29 H new ATOM 0 HB3 ALA A 89 3.739 -3.295 3.686 1.00 0.29 H new ATOM 1358 N LEU A 90 6.378 -2.573 4.496 1.00 0.28 N ATOM 1359 CA LEU A 90 7.563 -1.815 4.101 1.00 0.31 C ATOM 1360 C LEU A 90 8.817 -2.287 4.837 1.00 0.35 C ATOM 1361 O LEU A 90 9.921 -2.216 4.299 1.00 0.39 O ATOM 1362 CB LEU A 90 7.343 -0.320 4.357 1.00 0.33 C ATOM 1363 CG LEU A 90 6.663 0.454 3.221 1.00 0.33 C ATOM 1364 CD1 LEU A 90 7.537 0.462 1.977 1.00 0.39 C ATOM 1365 CD2 LEU A 90 5.294 -0.133 2.907 1.00 0.32 C ATOM 0 H LEU A 90 5.605 -1.999 4.832 1.00 0.28 H new ATOM 0 HA LEU A 90 7.719 -1.986 3.036 1.00 0.31 H new ATOM 0 HB2 LEU A 90 6.741 -0.209 5.259 1.00 0.33 H new ATOM 0 HB3 LEU A 90 8.309 0.142 4.559 1.00 0.33 H new ATOM 0 HG LEU A 90 6.525 1.484 3.551 1.00 0.33 H new ATOM 0 HD11 LEU A 90 7.036 1.016 1.184 1.00 0.39 H new ATOM 0 HD12 LEU A 90 8.491 0.938 2.205 1.00 0.39 H new ATOM 0 HD13 LEU A 90 7.712 -0.563 1.649 1.00 0.39 H new ATOM 0 HD21 LEU A 90 4.832 0.433 2.098 1.00 0.32 H new ATOM 0 HD22 LEU A 90 5.405 -1.174 2.604 1.00 0.32 H new ATOM 0 HD23 LEU A 90 4.663 -0.079 3.794 1.00 0.32 H new ATOM 1377 N GLN A 91 8.642 -2.764 6.065 1.00 0.37 N ATOM 1378 CA GLN A 91 9.768 -3.234 6.871 1.00 0.43 C ATOM 1379 C GLN A 91 10.417 -4.475 6.260 1.00 0.39 C ATOM 1380 O GLN A 91 11.576 -4.783 6.545 1.00 0.43 O ATOM 1381 CB GLN A 91 9.304 -3.548 8.296 1.00 0.52 C ATOM 1382 CG GLN A 91 10.425 -4.008 9.217 1.00 1.07 C ATOM 1383 CD GLN A 91 9.912 -4.606 10.513 1.00 1.32 C ATOM 1384 OE1 GLN A 91 8.828 -5.188 10.555 1.00 1.87 O ATOM 1385 NE2 GLN A 91 10.692 -4.466 11.578 1.00 1.80 N ATOM 0 H GLN A 91 7.734 -2.836 6.525 1.00 0.37 H new ATOM 0 HA GLN A 91 10.511 -2.437 6.894 1.00 0.43 H new ATOM 0 HB2 GLN A 91 8.838 -2.659 8.721 1.00 0.52 H new ATOM 0 HB3 GLN A 91 8.537 -4.322 8.257 1.00 0.52 H new ATOM 0 HG2 GLN A 91 11.036 -4.747 8.698 1.00 1.07 H new ATOM 0 HG3 GLN A 91 11.073 -3.162 9.444 1.00 1.07 H new ATOM 0 HE21 GLN A 91 11.583 -3.976 11.497 1.00 1.80 H new ATOM 0 HE22 GLN A 91 10.401 -4.849 12.477 1.00 1.80 H new ATOM 1394 N LEU A 92 9.671 -5.178 5.417 1.00 0.37 N ATOM 1395 CA LEU A 92 10.172 -6.398 4.790 1.00 0.36 C ATOM 1396 C LEU A 92 10.734 -6.145 3.391 1.00 0.32 C ATOM 1397 O LEU A 92 11.541 -6.932 2.899 1.00 0.39 O ATOM 1398 CB LEU A 92 9.059 -7.447 4.720 1.00 0.38 C ATOM 1399 CG LEU A 92 8.800 -8.216 6.022 1.00 0.59 C ATOM 1400 CD1 LEU A 92 8.356 -7.274 7.130 1.00 1.17 C ATOM 1401 CD2 LEU A 92 7.759 -9.301 5.796 1.00 1.31 C ATOM 0 H LEU A 92 8.719 -4.926 5.151 1.00 0.37 H new ATOM 0 HA LEU A 92 10.990 -6.766 5.409 1.00 0.36 H new ATOM 0 HB2 LEU A 92 8.135 -6.953 4.419 1.00 0.38 H new ATOM 0 HB3 LEU A 92 9.307 -8.164 3.937 1.00 0.38 H new ATOM 0 HG LEU A 92 9.733 -8.686 6.332 1.00 0.59 H new ATOM 0 HD11 LEU A 92 8.179 -7.843 8.042 1.00 1.17 H new ATOM 0 HD12 LEU A 92 9.134 -6.532 7.311 1.00 1.17 H new ATOM 0 HD13 LEU A 92 7.436 -6.770 6.832 1.00 1.17 H new ATOM 0 HD21 LEU A 92 7.585 -9.838 6.728 1.00 1.31 H new ATOM 0 HD22 LEU A 92 6.827 -8.847 5.460 1.00 1.31 H new ATOM 0 HD23 LEU A 92 8.117 -9.997 5.037 1.00 1.31 H new ATOM 1413 N MET A 93 10.314 -5.053 2.753 1.00 0.31 N ATOM 1414 CA MET A 93 10.784 -4.729 1.405 1.00 0.33 C ATOM 1415 C MET A 93 12.248 -4.277 1.415 1.00 0.23 C ATOM 1416 O MET A 93 12.553 -3.182 1.883 1.00 0.23 O ATOM 1417 CB MET A 93 9.915 -3.630 0.786 1.00 0.45 C ATOM 1418 CG MET A 93 9.798 -3.734 -0.727 1.00 1.05 C ATOM 1419 SD MET A 93 8.954 -2.317 -1.460 1.00 1.05 S ATOM 1420 CE MET A 93 7.375 -2.380 -0.614 1.00 1.66 C ATOM 0 H MET A 93 9.654 -4.381 3.144 1.00 0.31 H new ATOM 0 HA MET A 93 10.707 -5.636 0.805 1.00 0.33 H new ATOM 0 HB2 MET A 93 8.918 -3.675 1.224 1.00 0.45 H new ATOM 0 HB3 MET A 93 10.333 -2.657 1.045 1.00 0.45 H new ATOM 0 HG2 MET A 93 10.795 -3.821 -1.159 1.00 1.05 H new ATOM 0 HG3 MET A 93 9.258 -4.646 -0.984 1.00 1.05 H new ATOM 0 HE1 MET A 93 6.573 -2.467 -1.347 1.00 1.66 H new ATOM 0 HE2 MET A 93 7.353 -3.243 0.052 1.00 1.66 H new ATOM 0 HE3 MET A 93 7.237 -1.469 -0.032 1.00 1.66 H new ATOM 1430 N PRO A 94 13.173 -5.113 0.898 1.00 0.25 N ATOM 1431 CA PRO A 94 14.601 -4.781 0.844 1.00 0.23 C ATOM 1432 C PRO A 94 14.910 -3.776 -0.262 1.00 0.21 C ATOM 1433 O PRO A 94 14.286 -3.802 -1.323 1.00 0.21 O ATOM 1434 CB PRO A 94 15.283 -6.129 0.543 1.00 0.31 C ATOM 1435 CG PRO A 94 14.204 -7.159 0.633 1.00 0.44 C ATOM 1436 CD PRO A 94 12.920 -6.445 0.336 1.00 0.37 C ATOM 0 HA PRO A 94 14.945 -4.317 1.769 1.00 0.23 H new ATOM 0 HB2 PRO A 94 15.738 -6.125 -0.447 1.00 0.31 H new ATOM 0 HB3 PRO A 94 16.079 -6.333 1.259 1.00 0.31 H new ATOM 0 HG2 PRO A 94 14.375 -7.966 -0.080 1.00 0.44 H new ATOM 0 HG3 PRO A 94 14.178 -7.610 1.625 1.00 0.44 H new ATOM 0 HD2 PRO A 94 12.714 -6.404 -0.734 1.00 0.37 H new ATOM 0 HD3 PRO A 94 12.065 -6.931 0.807 1.00 0.37 H new ATOM 1444 N ALA A 95 15.871 -2.889 -0.007 1.00 0.24 N ATOM 1445 CA ALA A 95 16.260 -1.875 -0.984 1.00 0.27 C ATOM 1446 C ALA A 95 16.484 -2.487 -2.364 1.00 0.27 C ATOM 1447 O ALA A 95 17.231 -3.450 -2.505 1.00 0.31 O ATOM 1448 CB ALA A 95 17.521 -1.164 -0.518 1.00 0.36 C ATOM 0 H ALA A 95 16.394 -2.853 0.868 1.00 0.24 H new ATOM 0 HA ALA A 95 15.446 -1.155 -1.065 1.00 0.27 H new ATOM 0 HB1 ALA A 95 17.805 -0.409 -1.251 1.00 0.36 H new ATOM 0 HB2 ALA A 95 17.334 -0.684 0.443 1.00 0.36 H new ATOM 0 HB3 ALA A 95 18.329 -1.888 -0.411 1.00 0.36 H new ATOM 1454 N GLY A 96 15.829 -1.926 -3.380 1.00 0.27 N ATOM 1455 CA GLY A 96 15.991 -2.428 -4.736 1.00 0.28 C ATOM 1456 C GLY A 96 14.930 -3.441 -5.137 1.00 0.28 C ATOM 1457 O GLY A 96 14.973 -3.985 -6.241 1.00 0.34 O ATOM 0 H GLY A 96 15.191 -1.135 -3.289 1.00 0.27 H new ATOM 0 HA2 GLY A 96 15.963 -1.589 -5.432 1.00 0.28 H new ATOM 0 HA3 GLY A 96 16.975 -2.887 -4.830 1.00 0.28 H new ATOM 1461 N SER A 97 13.978 -3.698 -4.245 1.00 0.24 N ATOM 1462 CA SER A 97 12.911 -4.661 -4.520 1.00 0.24 C ATOM 1463 C SER A 97 11.705 -3.992 -5.178 1.00 0.19 C ATOM 1464 O SER A 97 11.742 -2.807 -5.508 1.00 0.21 O ATOM 1465 CB SER A 97 12.486 -5.351 -3.224 1.00 0.28 C ATOM 1466 OG SER A 97 13.562 -6.082 -2.665 1.00 1.41 O ATOM 0 H SER A 97 13.921 -3.256 -3.328 1.00 0.24 H new ATOM 0 HA SER A 97 13.300 -5.403 -5.217 1.00 0.24 H new ATOM 0 HB2 SER A 97 12.136 -4.607 -2.509 1.00 0.28 H new ATOM 0 HB3 SER A 97 11.649 -6.021 -3.421 1.00 0.28 H new ATOM 0 HG SER A 97 14.080 -5.499 -2.072 1.00 1.41 H new ATOM 1472 N THR A 98 10.636 -4.766 -5.366 1.00 0.17 N ATOM 1473 CA THR A 98 9.417 -4.265 -5.992 1.00 0.14 C ATOM 1474 C THR A 98 8.199 -5.039 -5.500 1.00 0.13 C ATOM 1475 O THR A 98 8.051 -6.226 -5.792 1.00 0.23 O ATOM 1476 CB THR A 98 9.488 -4.384 -7.526 1.00 0.16 C ATOM 1477 OG1 THR A 98 10.773 -3.959 -7.994 1.00 0.20 O ATOM 1478 CG2 THR A 98 8.401 -3.546 -8.185 1.00 0.18 C ATOM 0 H THR A 98 10.592 -5.747 -5.091 1.00 0.17 H new ATOM 0 HA THR A 98 9.323 -3.215 -5.716 1.00 0.14 H new ATOM 0 HB THR A 98 9.333 -5.429 -7.793 1.00 0.16 H new ATOM 0 HG1 THR A 98 10.666 -3.442 -8.819 1.00 0.20 H new ATOM 0 HG21 THR A 98 8.471 -3.646 -9.268 1.00 0.18 H new ATOM 0 HG22 THR A 98 7.423 -3.892 -7.851 1.00 0.18 H new ATOM 0 HG23 THR A 98 8.530 -2.500 -7.908 1.00 0.18 H new ATOM 1486 N TRP A 99 7.329 -4.364 -4.758 1.00 0.16 N ATOM 1487 CA TRP A 99 6.129 -4.998 -4.223 1.00 0.15 C ATOM 1488 C TRP A 99 4.886 -4.153 -4.470 1.00 0.16 C ATOM 1489 O TRP A 99 4.955 -2.926 -4.534 1.00 0.18 O ATOM 1490 CB TRP A 99 6.265 -5.221 -2.712 1.00 0.19 C ATOM 1491 CG TRP A 99 7.009 -6.464 -2.320 1.00 0.17 C ATOM 1492 CD1 TRP A 99 7.389 -7.498 -3.127 1.00 0.25 C ATOM 1493 CD2 TRP A 99 7.450 -6.802 -1.001 1.00 0.26 C ATOM 1494 NE1 TRP A 99 8.044 -8.455 -2.388 1.00 0.29 N ATOM 1495 CE2 TRP A 99 8.095 -8.049 -1.081 1.00 0.28 C ATOM 1496 CE3 TRP A 99 7.363 -6.167 0.240 1.00 0.42 C ATOM 1497 CZ2 TRP A 99 8.649 -8.674 0.034 1.00 0.38 C ATOM 1498 CZ3 TRP A 99 7.914 -6.787 1.346 1.00 0.53 C ATOM 1499 CH2 TRP A 99 8.550 -8.029 1.236 1.00 0.49 C ATOM 0 H TRP A 99 7.431 -3.379 -4.513 1.00 0.16 H new ATOM 0 HA TRP A 99 6.021 -5.952 -4.739 1.00 0.15 H new ATOM 0 HB2 TRP A 99 6.772 -4.360 -2.277 1.00 0.19 H new ATOM 0 HB3 TRP A 99 5.268 -5.259 -2.274 1.00 0.19 H new ATOM 0 HD1 TRP A 99 7.203 -7.556 -4.189 1.00 0.25 H new ATOM 0 HE1 TRP A 99 8.429 -9.326 -2.754 1.00 0.29 H new ATOM 0 HE3 TRP A 99 6.874 -5.209 0.334 1.00 0.42 H new ATOM 0 HZ2 TRP A 99 9.139 -9.633 -0.048 1.00 0.38 H new ATOM 0 HZ3 TRP A 99 7.853 -6.305 2.311 1.00 0.53 H new ATOM 0 HH2 TRP A 99 8.971 -8.487 2.118 1.00 0.49 H new ATOM 1510 N GLU A 100 3.752 -4.828 -4.614 1.00 0.17 N ATOM 1511 CA GLU A 100 2.473 -4.158 -4.798 1.00 0.20 C ATOM 1512 C GLU A 100 1.521 -4.632 -3.706 1.00 0.19 C ATOM 1513 O GLU A 100 1.065 -5.775 -3.716 1.00 0.19 O ATOM 1514 CB GLU A 100 1.898 -4.437 -6.194 1.00 0.27 C ATOM 1515 CG GLU A 100 1.669 -5.911 -6.490 1.00 0.95 C ATOM 1516 CD GLU A 100 1.223 -6.155 -7.920 1.00 0.95 C ATOM 1517 OE1 GLU A 100 2.100 -6.321 -8.795 1.00 1.37 O ATOM 1518 OE2 GLU A 100 -0.001 -6.180 -8.164 1.00 1.20 O ATOM 0 H GLU A 100 3.694 -5.846 -4.607 1.00 0.17 H new ATOM 0 HA GLU A 100 2.609 -3.079 -4.723 1.00 0.20 H new ATOM 0 HB2 GLU A 100 0.952 -3.906 -6.298 1.00 0.27 H new ATOM 0 HB3 GLU A 100 2.577 -4.029 -6.943 1.00 0.27 H new ATOM 0 HG2 GLU A 100 2.589 -6.463 -6.301 1.00 0.95 H new ATOM 0 HG3 GLU A 100 0.916 -6.303 -5.806 1.00 0.95 H new ATOM 1525 N ILE A 101 1.226 -3.752 -2.758 1.00 0.18 N ATOM 1526 CA ILE A 101 0.366 -4.109 -1.640 1.00 0.18 C ATOM 1527 C ILE A 101 -1.013 -3.469 -1.723 1.00 0.18 C ATOM 1528 O ILE A 101 -1.158 -2.306 -2.096 1.00 0.19 O ATOM 1529 CB ILE A 101 1.011 -3.715 -0.296 1.00 0.20 C ATOM 1530 CG1 ILE A 101 1.425 -2.241 -0.317 1.00 0.18 C ATOM 1531 CG2 ILE A 101 2.208 -4.607 0.002 1.00 0.25 C ATOM 1532 CD1 ILE A 101 1.979 -1.747 1.003 1.00 0.22 C ATOM 0 H ILE A 101 1.568 -2.791 -2.741 1.00 0.18 H new ATOM 0 HA ILE A 101 0.244 -5.191 -1.697 1.00 0.18 H new ATOM 0 HB ILE A 101 0.277 -3.854 0.497 1.00 0.20 H new ATOM 0 HG12 ILE A 101 2.175 -2.094 -1.094 1.00 0.18 H new ATOM 0 HG13 ILE A 101 0.562 -1.634 -0.589 1.00 0.18 H new ATOM 0 HG21 ILE A 101 2.651 -4.315 0.954 1.00 0.25 H new ATOM 0 HG22 ILE A 101 1.883 -5.646 0.056 1.00 0.25 H new ATOM 0 HG23 ILE A 101 2.948 -4.500 -0.791 1.00 0.25 H new ATOM 0 HD11 ILE A 101 2.251 -0.695 0.913 1.00 0.22 H new ATOM 0 HD12 ILE A 101 1.223 -1.861 1.780 1.00 0.22 H new ATOM 0 HD13 ILE A 101 2.862 -2.329 1.267 1.00 0.22 H new ATOM 1544 N TYR A 102 -2.018 -4.257 -1.365 1.00 0.21 N ATOM 1545 CA TYR A 102 -3.400 -3.805 -1.345 1.00 0.22 C ATOM 1546 C TYR A 102 -3.931 -3.953 0.078 1.00 0.22 C ATOM 1547 O TYR A 102 -4.239 -5.060 0.522 1.00 0.21 O ATOM 1548 CB TYR A 102 -4.240 -4.612 -2.342 1.00 0.21 C ATOM 1549 CG TYR A 102 -3.679 -5.989 -2.644 1.00 0.22 C ATOM 1550 CD1 TYR A 102 -2.716 -6.177 -3.632 1.00 0.22 C ATOM 1551 CD2 TYR A 102 -4.117 -7.102 -1.940 1.00 0.24 C ATOM 1552 CE1 TYR A 102 -2.210 -7.432 -3.905 1.00 0.25 C ATOM 1553 CE2 TYR A 102 -3.616 -8.359 -2.208 1.00 0.27 C ATOM 1554 CZ TYR A 102 -2.663 -8.519 -3.191 1.00 0.27 C ATOM 1555 OH TYR A 102 -2.162 -9.771 -3.462 1.00 0.31 O ATOM 0 H TYR A 102 -1.896 -5.229 -1.080 1.00 0.21 H new ATOM 0 HA TYR A 102 -3.461 -2.759 -1.646 1.00 0.22 H new ATOM 0 HB2 TYR A 102 -5.250 -4.720 -1.947 1.00 0.21 H new ATOM 0 HB3 TYR A 102 -4.320 -4.051 -3.273 1.00 0.21 H new ATOM 0 HD1 TYR A 102 -2.359 -5.327 -4.194 1.00 0.22 H new ATOM 0 HD2 TYR A 102 -4.863 -6.982 -1.169 1.00 0.24 H new ATOM 0 HE1 TYR A 102 -1.463 -7.561 -4.674 1.00 0.25 H new ATOM 0 HE2 TYR A 102 -3.969 -9.214 -1.650 1.00 0.27 H new ATOM 0 HH TYR A 102 -1.501 -9.710 -4.183 1.00 0.31 H new ATOM 1565 N VAL A 103 -4.037 -2.833 0.788 1.00 0.26 N ATOM 1566 CA VAL A 103 -4.465 -2.853 2.183 1.00 0.29 C ATOM 1567 C VAL A 103 -5.864 -2.281 2.406 1.00 0.29 C ATOM 1568 O VAL A 103 -6.043 -1.063 2.408 1.00 0.38 O ATOM 1569 CB VAL A 103 -3.487 -2.051 3.064 1.00 0.39 C ATOM 1570 CG1 VAL A 103 -3.672 -2.405 4.530 1.00 0.52 C ATOM 1571 CG2 VAL A 103 -2.050 -2.289 2.625 1.00 0.33 C ATOM 0 H VAL A 103 -3.833 -1.903 0.422 1.00 0.26 H new ATOM 0 HA VAL A 103 -4.479 -3.907 2.460 1.00 0.29 H new ATOM 0 HB VAL A 103 -3.707 -0.990 2.942 1.00 0.39 H new ATOM 0 HG11 VAL A 103 -2.972 -1.828 5.135 1.00 0.52 H new ATOM 0 HG12 VAL A 103 -4.692 -2.172 4.835 1.00 0.52 H new ATOM 0 HG13 VAL A 103 -3.484 -3.469 4.674 1.00 0.52 H new ATOM 0 HG21 VAL A 103 -1.376 -1.714 3.260 1.00 0.33 H new ATOM 0 HG22 VAL A 103 -1.814 -3.350 2.712 1.00 0.33 H new ATOM 0 HG23 VAL A 103 -1.929 -1.974 1.588 1.00 0.33 H new ATOM 1581 N PRO A 104 -6.879 -3.147 2.594 1.00 0.28 N ATOM 1582 CA PRO A 104 -8.236 -2.693 2.885 1.00 0.34 C ATOM 1583 C PRO A 104 -8.248 -1.870 4.173 1.00 0.34 C ATOM 1584 O PRO A 104 -7.412 -2.084 5.050 1.00 0.31 O ATOM 1585 CB PRO A 104 -9.045 -3.988 3.047 1.00 0.39 C ATOM 1586 CG PRO A 104 -8.039 -5.075 3.214 1.00 0.48 C ATOM 1587 CD PRO A 104 -6.794 -4.616 2.512 1.00 0.33 C ATOM 0 HA PRO A 104 -8.647 -2.052 2.105 1.00 0.34 H new ATOM 0 HB2 PRO A 104 -9.706 -3.931 3.912 1.00 0.39 H new ATOM 0 HB3 PRO A 104 -9.674 -4.168 2.175 1.00 0.39 H new ATOM 0 HG2 PRO A 104 -7.842 -5.262 4.270 1.00 0.48 H new ATOM 0 HG3 PRO A 104 -8.403 -6.009 2.787 1.00 0.48 H new ATOM 0 HD2 PRO A 104 -5.895 -4.994 2.999 1.00 0.33 H new ATOM 0 HD3 PRO A 104 -6.765 -4.960 1.478 1.00 0.33 H new ATOM 1595 N SER A 105 -9.178 -0.927 4.280 1.00 0.45 N ATOM 1596 CA SER A 105 -9.260 -0.057 5.456 1.00 0.51 C ATOM 1597 C SER A 105 -9.181 -0.838 6.769 1.00 0.44 C ATOM 1598 O SER A 105 -8.649 -0.340 7.759 1.00 0.48 O ATOM 1599 CB SER A 105 -10.563 0.742 5.427 1.00 0.66 C ATOM 1600 OG SER A 105 -10.363 2.060 5.909 1.00 1.81 O ATOM 0 H SER A 105 -9.886 -0.743 3.570 1.00 0.45 H new ATOM 0 HA SER A 105 -8.402 0.613 5.414 1.00 0.51 H new ATOM 0 HB2 SER A 105 -10.948 0.778 4.408 1.00 0.66 H new ATOM 0 HB3 SER A 105 -11.315 0.239 6.035 1.00 0.66 H new ATOM 0 HG SER A 105 -11.210 2.551 5.879 1.00 1.81 H new ATOM 1606 N GLY A 106 -9.687 -2.065 6.770 1.00 0.38 N ATOM 1607 CA GLY A 106 -9.685 -2.873 7.981 1.00 0.36 C ATOM 1608 C GLY A 106 -8.304 -3.086 8.583 1.00 0.36 C ATOM 1609 O GLY A 106 -8.189 -3.533 9.724 1.00 0.40 O ATOM 0 H GLY A 106 -10.100 -2.518 5.955 1.00 0.38 H new ATOM 0 HA2 GLY A 106 -10.324 -2.396 8.724 1.00 0.36 H new ATOM 0 HA3 GLY A 106 -10.126 -3.844 7.758 1.00 0.36 H new ATOM 1613 N LEU A 107 -7.258 -2.772 7.828 1.00 0.37 N ATOM 1614 CA LEU A 107 -5.890 -2.947 8.310 1.00 0.42 C ATOM 1615 C LEU A 107 -5.169 -1.612 8.462 1.00 0.45 C ATOM 1616 O LEU A 107 -4.043 -1.561 8.958 1.00 0.57 O ATOM 1617 CB LEU A 107 -5.106 -3.866 7.371 1.00 0.61 C ATOM 1618 CG LEU A 107 -5.547 -5.337 7.359 1.00 1.21 C ATOM 1619 CD1 LEU A 107 -5.712 -5.871 8.775 1.00 2.35 C ATOM 1620 CD2 LEU A 107 -6.838 -5.502 6.575 1.00 1.60 C ATOM 0 H LEU A 107 -7.329 -2.396 6.882 1.00 0.37 H new ATOM 0 HA LEU A 107 -5.947 -3.408 9.296 1.00 0.42 H new ATOM 0 HB2 LEU A 107 -5.186 -3.473 6.357 1.00 0.61 H new ATOM 0 HB3 LEU A 107 -4.052 -3.824 7.647 1.00 0.61 H new ATOM 0 HG LEU A 107 -4.766 -5.917 6.868 1.00 1.21 H new ATOM 0 HD11 LEU A 107 -6.025 -6.914 8.736 1.00 2.35 H new ATOM 0 HD12 LEU A 107 -4.762 -5.796 9.305 1.00 2.35 H new ATOM 0 HD13 LEU A 107 -6.467 -5.285 9.299 1.00 2.35 H new ATOM 0 HD21 LEU A 107 -7.134 -6.551 6.578 1.00 1.60 H new ATOM 0 HD22 LEU A 107 -7.623 -4.902 7.036 1.00 1.60 H new ATOM 0 HD23 LEU A 107 -6.685 -5.171 5.548 1.00 1.60 H new ATOM 1632 N ALA A 108 -5.820 -0.536 8.040 1.00 0.45 N ATOM 1633 CA ALA A 108 -5.236 0.796 8.140 1.00 0.60 C ATOM 1634 C ALA A 108 -5.957 1.614 9.209 1.00 0.67 C ATOM 1635 O ALA A 108 -5.746 1.401 10.403 1.00 1.03 O ATOM 1636 CB ALA A 108 -5.277 1.498 6.789 1.00 0.66 C ATOM 0 H ALA A 108 -6.752 -0.559 7.626 1.00 0.45 H new ATOM 0 HA ALA A 108 -4.192 0.700 8.437 1.00 0.60 H new ATOM 0 HB1 ALA A 108 -4.837 2.491 6.881 1.00 0.66 H new ATOM 0 HB2 ALA A 108 -4.712 0.917 6.060 1.00 0.66 H new ATOM 0 HB3 ALA A 108 -6.311 1.589 6.457 1.00 0.66 H new ATOM 1749 N PRO A 117 -5.820 8.289 5.168 1.00 0.62 N ATOM 1750 CA PRO A 117 -5.374 8.367 3.772 1.00 0.60 C ATOM 1751 C PRO A 117 -6.214 7.481 2.863 1.00 0.53 C ATOM 1752 O PRO A 117 -6.481 7.828 1.713 1.00 0.59 O ATOM 1753 CB PRO A 117 -3.931 7.856 3.821 1.00 0.57 C ATOM 1754 CG PRO A 117 -3.496 8.051 5.231 1.00 0.70 C ATOM 1755 CD PRO A 117 -4.728 7.895 6.076 1.00 0.59 C ATOM 0 HA PRO A 117 -5.464 9.376 3.370 1.00 0.60 H new ATOM 0 HB2 PRO A 117 -3.875 6.806 3.533 1.00 0.57 H new ATOM 0 HB3 PRO A 117 -3.293 8.410 3.132 1.00 0.57 H new ATOM 0 HG2 PRO A 117 -2.738 7.319 5.509 1.00 0.70 H new ATOM 0 HG3 PRO A 117 -3.052 9.037 5.368 1.00 0.70 H new ATOM 0 HD2 PRO A 117 -4.847 6.870 6.426 1.00 0.59 H new ATOM 0 HD3 PRO A 117 -4.692 8.532 6.960 1.00 0.59 H new ATOM 1763 N ILE A 118 -6.622 6.333 3.392 1.00 0.44 N ATOM 1764 CA ILE A 118 -7.447 5.396 2.645 1.00 0.40 C ATOM 1765 C ILE A 118 -8.925 5.681 2.899 1.00 0.43 C ATOM 1766 O ILE A 118 -9.386 5.633 4.040 1.00 0.50 O ATOM 1767 CB ILE A 118 -7.115 3.929 3.006 1.00 0.33 C ATOM 1768 CG1 ILE A 118 -5.644 3.624 2.707 1.00 0.28 C ATOM 1769 CG2 ILE A 118 -8.017 2.976 2.243 1.00 0.35 C ATOM 1770 CD1 ILE A 118 -4.707 4.000 3.832 1.00 1.25 C ATOM 0 H ILE A 118 -6.393 6.030 4.339 1.00 0.44 H new ATOM 0 HA ILE A 118 -7.231 5.532 1.585 1.00 0.40 H new ATOM 0 HB ILE A 118 -7.289 3.790 4.073 1.00 0.33 H new ATOM 0 HG12 ILE A 118 -5.538 2.560 2.497 1.00 0.28 H new ATOM 0 HG13 ILE A 118 -5.347 4.158 1.804 1.00 0.28 H new ATOM 0 HG21 ILE A 118 -7.769 1.949 2.509 1.00 0.35 H new ATOM 0 HG22 ILE A 118 -9.057 3.176 2.499 1.00 0.35 H new ATOM 0 HG23 ILE A 118 -7.873 3.118 1.172 1.00 0.35 H new ATOM 0 HD11 ILE A 118 -3.683 3.755 3.550 1.00 1.25 H new ATOM 0 HD12 ILE A 118 -4.784 5.070 4.028 1.00 1.25 H new ATOM 0 HD13 ILE A 118 -4.977 3.446 4.731 1.00 1.25 H new ATOM 1782 N GLY A 119 -9.655 5.991 1.827 1.00 0.43 N ATOM 1783 CA GLY A 119 -11.073 6.301 1.940 1.00 0.48 C ATOM 1784 C GLY A 119 -11.836 5.318 2.814 1.00 0.45 C ATOM 1785 O GLY A 119 -11.397 4.184 2.999 1.00 0.40 O ATOM 0 H GLY A 119 -9.286 6.033 0.877 1.00 0.43 H new ATOM 0 HA2 GLY A 119 -11.187 7.305 2.350 1.00 0.48 H new ATOM 0 HA3 GLY A 119 -11.516 6.311 0.944 1.00 0.48 H new ATOM 1789 N PRO A 120 -12.999 5.730 3.362 1.00 0.52 N ATOM 1790 CA PRO A 120 -13.814 4.866 4.223 1.00 0.56 C ATOM 1791 C PRO A 120 -14.307 3.627 3.480 1.00 0.51 C ATOM 1792 O PRO A 120 -14.848 3.727 2.380 1.00 0.48 O ATOM 1793 CB PRO A 120 -14.992 5.759 4.633 1.00 0.64 C ATOM 1794 CG PRO A 120 -15.033 6.843 3.611 1.00 0.67 C ATOM 1795 CD PRO A 120 -13.612 7.057 3.176 1.00 0.59 C ATOM 0 HA PRO A 120 -13.249 4.487 5.074 1.00 0.56 H new ATOM 0 HB2 PRO A 120 -15.926 5.197 4.649 1.00 0.64 H new ATOM 0 HB3 PRO A 120 -14.848 6.166 5.634 1.00 0.64 H new ATOM 0 HG2 PRO A 120 -15.661 6.559 2.766 1.00 0.67 H new ATOM 0 HG3 PRO A 120 -15.455 7.757 4.029 1.00 0.67 H new ATOM 0 HD2 PRO A 120 -13.554 7.385 2.138 1.00 0.59 H new ATOM 0 HD3 PRO A 120 -13.116 7.818 3.779 1.00 0.59 H new ATOM 1803 N ASN A 121 -14.128 2.464 4.101 1.00 0.55 N ATOM 1804 CA ASN A 121 -14.522 1.187 3.502 1.00 0.58 C ATOM 1805 C ASN A 121 -14.036 1.105 2.061 1.00 0.49 C ATOM 1806 O ASN A 121 -14.691 0.510 1.210 1.00 0.53 O ATOM 1807 CB ASN A 121 -16.045 1.021 3.524 1.00 0.68 C ATOM 1808 CG ASN A 121 -16.667 1.452 4.834 1.00 0.79 C ATOM 1809 OD1 ASN A 121 -16.884 0.636 5.730 1.00 1.12 O ATOM 1810 ND2 ASN A 121 -16.964 2.740 4.949 1.00 0.67 N ATOM 0 H ASN A 121 -13.709 2.377 5.027 1.00 0.55 H new ATOM 0 HA ASN A 121 -14.066 0.390 4.089 1.00 0.58 H new ATOM 0 HB2 ASN A 121 -16.480 1.604 2.712 1.00 0.68 H new ATOM 0 HB3 ASN A 121 -16.294 -0.023 3.336 1.00 0.68 H new ATOM 0 HD21 ASN A 121 -17.390 3.090 5.807 1.00 0.67 H new ATOM 0 HD22 ASN A 121 -16.766 3.380 4.180 1.00 0.67 H new ATOM 1817 N GLU A 122 -12.874 1.687 1.798 1.00 0.40 N ATOM 1818 CA GLU A 122 -12.308 1.681 0.457 1.00 0.35 C ATOM 1819 C GLU A 122 -11.003 0.904 0.406 1.00 0.31 C ATOM 1820 O GLU A 122 -10.063 1.210 1.138 1.00 0.33 O ATOM 1821 CB GLU A 122 -12.077 3.114 -0.029 1.00 0.35 C ATOM 1822 CG GLU A 122 -13.355 3.834 -0.427 1.00 1.09 C ATOM 1823 CD GLU A 122 -13.125 5.295 -0.757 1.00 1.24 C ATOM 1824 OE1 GLU A 122 -12.494 5.577 -1.798 1.00 1.60 O ATOM 1825 OE2 GLU A 122 -13.578 6.160 0.023 1.00 1.73 O ATOM 0 H GLU A 122 -12.306 2.169 2.495 1.00 0.40 H new ATOM 0 HA GLU A 122 -13.023 1.187 -0.200 1.00 0.35 H new ATOM 0 HB2 GLU A 122 -11.581 3.681 0.759 1.00 0.35 H new ATOM 0 HB3 GLU A 122 -11.400 3.095 -0.883 1.00 0.35 H new ATOM 0 HG2 GLU A 122 -13.794 3.335 -1.291 1.00 1.09 H new ATOM 0 HG3 GLU A 122 -14.078 3.759 0.386 1.00 1.09 H new ATOM 1832 N THR A 123 -10.945 -0.105 -0.452 1.00 0.26 N ATOM 1833 CA THR A 123 -9.729 -0.884 -0.606 1.00 0.24 C ATOM 1834 C THR A 123 -8.862 -0.233 -1.674 1.00 0.22 C ATOM 1835 O THR A 123 -9.324 0.032 -2.782 1.00 0.24 O ATOM 1836 CB THR A 123 -10.027 -2.344 -0.990 1.00 0.25 C ATOM 1837 OG1 THR A 123 -10.873 -2.946 -0.001 1.00 0.29 O ATOM 1838 CG2 THR A 123 -8.738 -3.143 -1.110 1.00 0.24 C ATOM 0 H THR A 123 -11.720 -0.400 -1.046 1.00 0.26 H new ATOM 0 HA THR A 123 -9.207 -0.901 0.351 1.00 0.24 H new ATOM 0 HB THR A 123 -10.533 -2.348 -1.955 1.00 0.25 H new ATOM 0 HG1 THR A 123 -10.931 -3.911 -0.163 1.00 0.29 H new ATOM 0 HG21 THR A 123 -8.972 -4.172 -1.382 1.00 0.24 H new ATOM 0 HG22 THR A 123 -8.105 -2.699 -1.879 1.00 0.24 H new ATOM 0 HG23 THR A 123 -8.212 -3.131 -0.155 1.00 0.24 H new ATOM 1846 N LEU A 124 -7.605 0.024 -1.345 1.00 0.20 N ATOM 1847 CA LEU A 124 -6.701 0.685 -2.278 1.00 0.19 C ATOM 1848 C LEU A 124 -5.559 -0.224 -2.718 1.00 0.17 C ATOM 1849 O LEU A 124 -5.192 -1.171 -2.021 1.00 0.18 O ATOM 1850 CB LEU A 124 -6.123 1.941 -1.623 1.00 0.23 C ATOM 1851 CG LEU A 124 -7.000 3.197 -1.692 1.00 0.47 C ATOM 1852 CD1 LEU A 124 -8.443 2.886 -1.315 1.00 1.15 C ATOM 1853 CD2 LEU A 124 -6.438 4.272 -0.780 1.00 1.47 C ATOM 0 H LEU A 124 -7.188 -0.213 -0.445 1.00 0.20 H new ATOM 0 HA LEU A 124 -7.278 0.945 -3.165 1.00 0.19 H new ATOM 0 HB2 LEU A 124 -5.920 1.720 -0.575 1.00 0.23 H new ATOM 0 HB3 LEU A 124 -5.165 2.164 -2.093 1.00 0.23 H new ATOM 0 HG LEU A 124 -6.994 3.559 -2.720 1.00 0.47 H new ATOM 0 HD11 LEU A 124 -9.039 3.797 -1.374 1.00 1.15 H new ATOM 0 HD12 LEU A 124 -8.847 2.143 -2.003 1.00 1.15 H new ATOM 0 HD13 LEU A 124 -8.477 2.495 -0.298 1.00 1.15 H new ATOM 0 HD21 LEU A 124 -7.067 5.161 -0.835 1.00 1.47 H new ATOM 0 HD22 LEU A 124 -6.418 3.905 0.246 1.00 1.47 H new ATOM 0 HD23 LEU A 124 -5.425 4.524 -1.095 1.00 1.47 H new ATOM 1865 N ILE A 125 -5.008 0.082 -3.887 1.00 0.15 N ATOM 1866 CA ILE A 125 -3.880 -0.656 -4.436 1.00 0.14 C ATOM 1867 C ILE A 125 -2.657 0.244 -4.492 1.00 0.13 C ATOM 1868 O ILE A 125 -2.737 1.383 -4.954 1.00 0.16 O ATOM 1869 CB ILE A 125 -4.172 -1.171 -5.857 1.00 0.14 C ATOM 1870 CG1 ILE A 125 -5.446 -2.005 -5.867 1.00 0.17 C ATOM 1871 CG2 ILE A 125 -2.999 -1.985 -6.384 1.00 0.17 C ATOM 1872 CD1 ILE A 125 -6.712 -1.184 -5.979 1.00 0.20 C ATOM 0 H ILE A 125 -5.331 0.847 -4.479 1.00 0.15 H new ATOM 0 HA ILE A 125 -3.701 -1.511 -3.784 1.00 0.14 H new ATOM 0 HB ILE A 125 -4.314 -0.312 -6.512 1.00 0.14 H new ATOM 0 HG12 ILE A 125 -5.404 -2.706 -6.701 1.00 0.17 H new ATOM 0 HG13 ILE A 125 -5.488 -2.598 -4.953 1.00 0.17 H new ATOM 0 HG21 ILE A 125 -3.225 -2.340 -7.389 1.00 0.17 H new ATOM 0 HG22 ILE A 125 -2.106 -1.361 -6.412 1.00 0.17 H new ATOM 0 HG23 ILE A 125 -2.825 -2.838 -5.729 1.00 0.17 H new ATOM 0 HD11 ILE A 125 -7.577 -1.847 -5.980 1.00 0.20 H new ATOM 0 HD12 ILE A 125 -6.779 -0.501 -5.132 1.00 0.20 H new ATOM 0 HD13 ILE A 125 -6.693 -0.611 -6.906 1.00 0.20 H new ATOM 1884 N PHE A 126 -1.528 -0.267 -4.026 1.00 0.13 N ATOM 1885 CA PHE A 126 -0.300 0.511 -4.017 1.00 0.14 C ATOM 1886 C PHE A 126 0.827 -0.220 -4.735 1.00 0.14 C ATOM 1887 O PHE A 126 1.068 -1.403 -4.496 1.00 0.16 O ATOM 1888 CB PHE A 126 0.118 0.810 -2.575 1.00 0.16 C ATOM 1889 CG PHE A 126 -0.960 1.456 -1.755 1.00 0.16 C ATOM 1890 CD1 PHE A 126 -1.273 2.796 -1.925 1.00 0.19 C ATOM 1891 CD2 PHE A 126 -1.658 0.723 -0.809 1.00 0.18 C ATOM 1892 CE1 PHE A 126 -2.263 3.391 -1.165 1.00 0.23 C ATOM 1893 CE2 PHE A 126 -2.648 1.313 -0.047 1.00 0.22 C ATOM 1894 CZ PHE A 126 -2.951 2.649 -0.224 1.00 0.24 C ATOM 0 H PHE A 126 -1.437 -1.211 -3.651 1.00 0.13 H new ATOM 0 HA PHE A 126 -0.492 1.445 -4.546 1.00 0.14 H new ATOM 0 HB2 PHE A 126 0.420 -0.120 -2.094 1.00 0.16 H new ATOM 0 HB3 PHE A 126 0.992 1.461 -2.587 1.00 0.16 H new ATOM 0 HD1 PHE A 126 -0.738 3.381 -2.659 1.00 0.19 H new ATOM 0 HD2 PHE A 126 -1.426 -0.322 -0.666 1.00 0.18 H new ATOM 0 HE1 PHE A 126 -2.499 4.435 -1.307 1.00 0.23 H new ATOM 0 HE2 PHE A 126 -3.185 0.730 0.687 1.00 0.22 H new ATOM 0 HZ PHE A 126 -3.724 3.112 0.372 1.00 0.24 H new ATOM 1904 N LYS A 127 1.507 0.497 -5.621 1.00 0.14 N ATOM 1905 CA LYS A 127 2.632 -0.062 -6.355 1.00 0.15 C ATOM 1906 C LYS A 127 3.908 0.593 -5.853 1.00 0.16 C ATOM 1907 O LYS A 127 4.217 1.727 -6.218 1.00 0.19 O ATOM 1908 CB LYS A 127 2.466 0.183 -7.857 1.00 0.18 C ATOM 1909 CG LYS A 127 3.506 -0.523 -8.713 1.00 0.89 C ATOM 1910 CD LYS A 127 3.305 -2.031 -8.705 1.00 1.23 C ATOM 1911 CE LYS A 127 4.224 -2.719 -9.699 1.00 1.62 C ATOM 1912 NZ LYS A 127 5.660 -2.480 -9.388 1.00 2.28 N ATOM 0 H LYS A 127 1.297 1.469 -5.848 1.00 0.14 H new ATOM 0 HA LYS A 127 2.678 -1.139 -6.193 1.00 0.15 H new ATOM 0 HB2 LYS A 127 1.473 -0.147 -8.162 1.00 0.18 H new ATOM 0 HB3 LYS A 127 2.518 1.255 -8.049 1.00 0.18 H new ATOM 0 HG2 LYS A 127 3.448 -0.153 -9.737 1.00 0.89 H new ATOM 0 HG3 LYS A 127 4.504 -0.286 -8.344 1.00 0.89 H new ATOM 0 HD2 LYS A 127 3.494 -2.419 -7.704 1.00 1.23 H new ATOM 0 HD3 LYS A 127 2.268 -2.262 -8.946 1.00 1.23 H new ATOM 0 HE2 LYS A 127 4.026 -3.791 -9.695 1.00 1.62 H new ATOM 0 HE3 LYS A 127 4.006 -2.359 -10.704 1.00 1.62 H new ATOM 0 HZ1 LYS A 127 6.242 -3.198 -9.864 1.00 2.28 H new ATOM 0 HZ2 LYS A 127 5.935 -1.534 -9.722 1.00 2.28 H new ATOM 0 HZ3 LYS A 127 5.807 -2.541 -8.360 1.00 2.28 H new ATOM 1926 N ILE A 128 4.658 -0.126 -5.028 1.00 0.16 N ATOM 1927 CA ILE A 128 5.875 0.423 -4.454 1.00 0.19 C ATOM 1928 C ILE A 128 7.127 -0.153 -5.091 1.00 0.18 C ATOM 1929 O ILE A 128 7.374 -1.358 -5.032 1.00 0.22 O ATOM 1930 CB ILE A 128 5.940 0.176 -2.932 1.00 0.23 C ATOM 1931 CG1 ILE A 128 4.731 0.797 -2.231 1.00 0.31 C ATOM 1932 CG2 ILE A 128 7.228 0.739 -2.353 1.00 0.27 C ATOM 1933 CD1 ILE A 128 3.510 -0.093 -2.233 1.00 0.82 C ATOM 0 H ILE A 128 4.446 -1.083 -4.744 1.00 0.16 H new ATOM 0 HA ILE A 128 5.841 1.494 -4.654 1.00 0.19 H new ATOM 0 HB ILE A 128 5.923 -0.901 -2.763 1.00 0.23 H new ATOM 0 HG12 ILE A 128 4.999 1.030 -1.201 1.00 0.31 H new ATOM 0 HG13 ILE A 128 4.484 1.740 -2.718 1.00 0.31 H new ATOM 0 HG21 ILE A 128 7.255 0.555 -1.279 1.00 0.27 H new ATOM 0 HG22 ILE A 128 8.082 0.254 -2.826 1.00 0.27 H new ATOM 0 HG23 ILE A 128 7.272 1.812 -2.538 1.00 0.27 H new ATOM 0 HD11 ILE A 128 2.691 0.411 -1.719 1.00 0.82 H new ATOM 0 HD12 ILE A 128 3.217 -0.306 -3.261 1.00 0.82 H new ATOM 0 HD13 ILE A 128 3.740 -1.027 -1.720 1.00 0.82 H new ATOM 1945 N HIS A 129 7.911 0.724 -5.700 1.00 0.15 N ATOM 1946 CA HIS A 129 9.166 0.324 -6.307 1.00 0.15 C ATOM 1947 C HIS A 129 10.301 0.880 -5.465 1.00 0.15 C ATOM 1948 O HIS A 129 10.663 2.051 -5.585 1.00 0.15 O ATOM 1949 CB HIS A 129 9.269 0.828 -7.747 1.00 0.15 C ATOM 1950 CG HIS A 129 9.872 -0.181 -8.674 1.00 0.17 C ATOM 1951 ND1 HIS A 129 9.406 -0.406 -9.951 1.00 0.22 N ATOM 1952 CD2 HIS A 129 10.899 -1.044 -8.494 1.00 0.20 C ATOM 1953 CE1 HIS A 129 10.117 -1.368 -10.514 1.00 0.26 C ATOM 1954 NE2 HIS A 129 11.031 -1.776 -9.650 1.00 0.26 N ATOM 0 H HIS A 129 7.698 1.718 -5.786 1.00 0.15 H new ATOM 0 HA HIS A 129 9.223 -0.764 -6.342 1.00 0.15 H new ATOM 0 HB2 HIS A 129 8.275 1.095 -8.105 1.00 0.15 H new ATOM 0 HB3 HIS A 129 9.870 1.737 -7.767 1.00 0.15 H new ATOM 0 HD1 HIS A 129 8.633 0.092 -10.393 1.00 0.22 H new ATOM 0 HD2 HIS A 129 11.504 -1.140 -7.605 1.00 0.20 H new ATOM 0 HE1 HIS A 129 9.975 -1.756 -11.512 1.00 0.26 H new ATOM 1963 N LEU A 130 10.861 0.031 -4.618 1.00 0.16 N ATOM 1964 CA LEU A 130 11.931 0.444 -3.724 1.00 0.17 C ATOM 1965 C LEU A 130 13.269 0.502 -4.445 1.00 0.17 C ATOM 1966 O LEU A 130 13.785 -0.516 -4.900 1.00 0.25 O ATOM 1967 CB LEU A 130 12.012 -0.511 -2.528 1.00 0.22 C ATOM 1968 CG LEU A 130 13.071 -0.165 -1.481 1.00 0.46 C ATOM 1969 CD1 LEU A 130 12.947 1.284 -1.040 1.00 1.36 C ATOM 1970 CD2 LEU A 130 12.952 -1.094 -0.283 1.00 1.41 C ATOM 0 H LEU A 130 10.592 -0.949 -4.531 1.00 0.16 H new ATOM 0 HA LEU A 130 11.704 1.449 -3.367 1.00 0.17 H new ATOM 0 HB2 LEU A 130 11.038 -0.537 -2.039 1.00 0.22 H new ATOM 0 HB3 LEU A 130 12.209 -1.516 -2.900 1.00 0.22 H new ATOM 0 HG LEU A 130 14.053 -0.299 -1.934 1.00 0.46 H new ATOM 0 HD11 LEU A 130 13.712 1.504 -0.295 1.00 1.36 H new ATOM 0 HD12 LEU A 130 13.080 1.939 -1.901 1.00 1.36 H new ATOM 0 HD13 LEU A 130 11.960 1.449 -0.607 1.00 1.36 H new ATOM 0 HD21 LEU A 130 13.712 -0.836 0.454 1.00 1.41 H new ATOM 0 HD22 LEU A 130 11.963 -0.988 0.163 1.00 1.41 H new ATOM 0 HD23 LEU A 130 13.095 -2.125 -0.606 1.00 1.41 H new ATOM 1982 N ILE A 131 13.820 1.710 -4.552 1.00 0.13 N ATOM 1983 CA ILE A 131 15.105 1.902 -5.208 1.00 0.15 C ATOM 1984 C ILE A 131 16.242 1.637 -4.230 1.00 0.17 C ATOM 1985 O ILE A 131 17.103 0.794 -4.479 1.00 0.22 O ATOM 1986 CB ILE A 131 15.244 3.331 -5.777 1.00 0.18 C ATOM 1987 CG1 ILE A 131 14.083 3.638 -6.730 1.00 0.16 C ATOM 1988 CG2 ILE A 131 16.580 3.490 -6.489 1.00 0.26 C ATOM 1989 CD1 ILE A 131 14.019 5.090 -7.157 1.00 1.17 C ATOM 0 H ILE A 131 13.396 2.565 -4.193 1.00 0.13 H new ATOM 0 HA ILE A 131 15.158 1.195 -6.036 1.00 0.15 H new ATOM 0 HB ILE A 131 15.209 4.042 -4.951 1.00 0.18 H new ATOM 0 HG12 ILE A 131 14.176 3.011 -7.617 1.00 0.16 H new ATOM 0 HG13 ILE A 131 13.145 3.368 -6.245 1.00 0.16 H new ATOM 0 HG21 ILE A 131 16.663 4.502 -6.885 1.00 0.26 H new ATOM 0 HG22 ILE A 131 17.392 3.308 -5.785 1.00 0.26 H new ATOM 0 HG23 ILE A 131 16.643 2.774 -7.308 1.00 0.26 H new ATOM 0 HD11 ILE A 131 13.174 5.234 -7.830 1.00 1.17 H new ATOM 0 HD12 ILE A 131 13.895 5.723 -6.278 1.00 1.17 H new ATOM 0 HD13 ILE A 131 14.942 5.359 -7.671 1.00 1.17 H new ATOM 2001 N SER A 132 16.239 2.362 -3.113 1.00 0.17 N ATOM 2002 CA SER A 132 17.267 2.185 -2.094 1.00 0.20 C ATOM 2003 C SER A 132 16.854 2.822 -0.769 1.00 0.22 C ATOM 2004 O SER A 132 15.917 3.621 -0.716 1.00 0.23 O ATOM 2005 CB SER A 132 18.599 2.766 -2.565 1.00 0.23 C ATOM 2006 OG SER A 132 18.660 4.163 -2.335 1.00 1.17 O ATOM 0 H SER A 132 15.541 3.072 -2.893 1.00 0.17 H new ATOM 0 HA SER A 132 17.388 1.114 -1.931 1.00 0.20 H new ATOM 0 HB2 SER A 132 19.419 2.273 -2.042 1.00 0.23 H new ATOM 0 HB3 SER A 132 18.731 2.564 -3.628 1.00 0.23 H new ATOM 0 HG SER A 132 19.524 4.508 -2.644 1.00 1.17 H new ATOM 2012 N VAL A 133 17.564 2.461 0.295 1.00 0.25 N ATOM 2013 CA VAL A 133 17.284 2.984 1.629 1.00 0.29 C ATOM 2014 C VAL A 133 18.466 3.788 2.162 1.00 0.41 C ATOM 2015 O VAL A 133 19.573 3.266 2.276 1.00 0.57 O ATOM 2016 CB VAL A 133 16.972 1.844 2.613 1.00 0.45 C ATOM 2017 CG1 VAL A 133 18.112 0.838 2.643 1.00 1.16 C ATOM 2018 CG2 VAL A 133 16.697 2.397 4.004 1.00 1.43 C ATOM 0 H VAL A 133 18.343 1.804 0.259 1.00 0.25 H new ATOM 0 HA VAL A 133 16.415 3.636 1.543 1.00 0.29 H new ATOM 0 HB VAL A 133 16.074 1.329 2.271 1.00 0.45 H new ATOM 0 HG11 VAL A 133 17.874 0.039 3.345 1.00 1.16 H new ATOM 0 HG12 VAL A 133 18.252 0.417 1.647 1.00 1.16 H new ATOM 0 HG13 VAL A 133 19.029 1.336 2.959 1.00 1.16 H new ATOM 0 HG21 VAL A 133 16.478 1.575 4.686 1.00 1.43 H new ATOM 0 HG22 VAL A 133 17.573 2.940 4.359 1.00 1.43 H new ATOM 0 HG23 VAL A 133 15.843 3.073 3.965 1.00 1.43 H new ATOM 2028 N LYS A 134 18.215 5.053 2.496 1.00 0.41 N ATOM 2029 CA LYS A 134 19.257 5.940 3.015 1.00 0.58 C ATOM 2030 C LYS A 134 20.618 5.617 2.402 1.00 0.68 C ATOM 2031 O LYS A 134 21.441 4.941 3.019 1.00 1.28 O ATOM 2032 CB LYS A 134 19.329 5.841 4.541 1.00 0.69 C ATOM 2033 CG LYS A 134 18.850 7.094 5.254 1.00 1.69 C ATOM 2034 CD LYS A 134 19.025 6.975 6.759 1.00 1.90 C ATOM 2035 CE LYS A 134 18.519 8.215 7.478 1.00 2.62 C ATOM 2036 NZ LYS A 134 19.246 9.442 7.049 1.00 3.08 N ATOM 0 H LYS A 134 17.296 5.488 2.416 1.00 0.41 H new ATOM 0 HA LYS A 134 18.995 6.961 2.736 1.00 0.58 H new ATOM 0 HB2 LYS A 134 18.728 4.993 4.871 1.00 0.69 H new ATOM 0 HB3 LYS A 134 20.358 5.636 4.836 1.00 0.69 H new ATOM 0 HG2 LYS A 134 19.406 7.958 4.888 1.00 1.69 H new ATOM 0 HG3 LYS A 134 17.800 7.269 5.021 1.00 1.69 H new ATOM 0 HD2 LYS A 134 18.487 6.098 7.121 1.00 1.90 H new ATOM 0 HD3 LYS A 134 20.079 6.822 6.993 1.00 1.90 H new ATOM 0 HE2 LYS A 134 17.454 8.338 7.284 1.00 2.62 H new ATOM 0 HE3 LYS A 134 18.634 8.083 8.554 1.00 2.62 H new ATOM 0 HZ1 LYS A 134 19.020 10.224 7.697 1.00 3.08 H new ATOM 0 HZ2 LYS A 134 20.270 9.263 7.066 1.00 3.08 H new ATOM 0 HZ3 LYS A 134 18.956 9.698 6.084 1.00 3.08 H new ATOM 2050 N LYS A 135 20.828 6.091 1.174 1.00 0.95 N ATOM 2051 CA LYS A 135 22.079 5.879 0.447 1.00 1.05 C ATOM 2052 C LYS A 135 22.466 4.406 0.413 1.00 0.97 C ATOM 2053 O LYS A 135 23.647 4.061 0.365 1.00 0.99 O ATOM 2054 CB LYS A 135 23.208 6.732 1.021 1.00 1.19 C ATOM 2055 CG LYS A 135 23.773 6.253 2.342 1.00 1.67 C ATOM 2056 CD LYS A 135 25.150 6.835 2.556 1.00 2.16 C ATOM 2057 CE LYS A 135 25.665 6.569 3.962 1.00 2.86 C ATOM 2058 NZ LYS A 135 24.815 7.219 4.997 1.00 3.16 N ATOM 0 H LYS A 135 20.136 6.632 0.656 1.00 0.95 H new ATOM 0 HA LYS A 135 21.912 6.198 -0.582 1.00 1.05 H new ATOM 0 HB2 LYS A 135 24.017 6.773 0.292 1.00 1.19 H new ATOM 0 HB3 LYS A 135 22.843 7.751 1.149 1.00 1.19 H new ATOM 0 HG2 LYS A 135 23.113 6.549 3.158 1.00 1.67 H new ATOM 0 HG3 LYS A 135 23.824 5.164 2.352 1.00 1.67 H new ATOM 0 HD2 LYS A 135 25.841 6.409 1.829 1.00 2.16 H new ATOM 0 HD3 LYS A 135 25.122 7.910 2.377 1.00 2.16 H new ATOM 0 HE2 LYS A 135 25.696 5.494 4.140 1.00 2.86 H new ATOM 0 HE3 LYS A 135 26.688 6.936 4.049 1.00 2.86 H new ATOM 0 HZ1 LYS A 135 25.343 7.280 5.891 1.00 3.16 H new ATOM 0 HZ2 LYS A 135 24.555 8.175 4.682 1.00 3.16 H new ATOM 0 HZ3 LYS A 135 23.953 6.656 5.142 1.00 3.16 H new ATOM 2072 N SER A 136 21.454 3.547 0.422 1.00 0.99 N ATOM 2073 CA SER A 136 21.665 2.101 0.384 1.00 0.96 C ATOM 2074 C SER A 136 22.669 1.664 1.448 1.00 1.03 C ATOM 2075 O SER A 136 23.561 0.858 1.182 1.00 1.31 O ATOM 2076 CB SER A 136 22.151 1.675 -1.003 1.00 0.95 C ATOM 2077 OG SER A 136 22.289 0.266 -1.087 1.00 1.19 O ATOM 0 H SER A 136 20.474 3.826 0.455 1.00 0.99 H new ATOM 0 HA SER A 136 20.713 1.614 0.594 1.00 0.96 H new ATOM 0 HB2 SER A 136 21.447 2.020 -1.760 1.00 0.95 H new ATOM 0 HB3 SER A 136 23.108 2.150 -1.218 1.00 0.95 H new ATOM 0 HG SER A 136 22.900 -0.045 -0.387 1.00 1.19 H new ATOM 2083 N SER A 137 22.510 2.201 2.653 1.00 0.91 N ATOM 2084 CA SER A 137 23.398 1.881 3.767 1.00 1.03 C ATOM 2085 C SER A 137 24.854 2.161 3.405 1.00 1.82 C ATOM 2086 O SER A 137 25.301 3.309 3.602 1.00 2.51 O ATOM 2087 CB SER A 137 23.233 0.417 4.178 1.00 1.57 C ATOM 2088 OG SER A 137 24.070 0.097 5.276 1.00 2.37 O ATOM 2089 OXT SER A 137 25.537 1.228 2.930 1.00 2.53 O ATOM 0 H SER A 137 21.770 2.864 2.885 1.00 0.91 H new ATOM 0 HA SER A 137 23.124 2.518 4.608 1.00 1.03 H new ATOM 0 HB2 SER A 137 22.193 0.225 4.442 1.00 1.57 H new ATOM 0 HB3 SER A 137 23.472 -0.230 3.334 1.00 1.57 H new ATOM 0 HG SER A 137 23.944 -0.844 5.520 1.00 2.37 H new