USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 972 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 51 CYS SG : rot 139:sc= 1.74 USER MOD Set 1.2: A 53 CYS SG : rot 14:sc= 1.27 USER MOD Set 1.3: A 111 CYS SG : rot 133:sc= -0.168 USER MOD Set 1.4: A 113 HIS : no HD1:sc= -0.153 K(o=2.7,f=-4.9!) USER MOD Set 2.1: A 58 TYR OH : rot 178:sc= 1.15 USER MOD Set 2.2: A 60 SER OG : rot 59:sc= 0.37 USER MOD Set 3.1: A 9 THR OG1 : rot -135:sc= 0 USER MOD Set 3.2: A 136 ASN : amide:sc= -4.68! C(o=-4.7!,f=-2.8!) USER MOD Single : A 8 HIS : no HD1:sc= -1.85 K(o=-1.8,f=-0.32) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 148:sc= 1.16 USER MOD Single : A 15 LYS NZ :NH3+ 136:sc= -0.31 (180deg=-2.28!) USER MOD Single : A 16 ASN : amide:sc= -1.2 X(o=-1.2,f=-1.5) USER MOD Single : A 18 HIS : no HD1:sc= -2.53 K(o=-2.5,f=-0.97) USER MOD Single : A 20 THR OG1 : rot -68:sc= 0.107 USER MOD Single : A 21 THR OG1 : rot -56:sc= 0.873 USER MOD Single : A 23 ASN : amide:sc= -0.646 K(o=-0.65,f=-0.094) USER MOD Single : A 25 GLN : amide:sc= -0.236 K(o=-0.24,f=-1.4!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -2.5! C(o=-2.5!,f=-4.5!) USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 47 ASN : amide:sc= -0.123 K(o=-0.12,f=-2!) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.004 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -30:sc= 0.471 USER MOD Single : A 59 TYR OH : rot -57:sc= 0.538 USER MOD Single : A 62 SER OG : rot 160:sc= -2.03! USER MOD Single : A 66 TYR OH : rot 60:sc= -0.885 USER MOD Single : A 71 CYS SG : rot -165:sc= -0.732 USER MOD Single : A 74 HIS : no HE2:sc= -2.77 K(o=-2.8,f=-6.6!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0886 USER MOD Single : A 83 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.56) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= -0.0235 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.33) USER MOD Single : A 90 GLN : amide:sc= -0.314 X(o=-0.31,f=-0.39) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.922 X(o=-0.92,f=-0.82) USER MOD Single : A 100 CYS SG : rot 180:sc= -0.0311 USER MOD Single : A 108 LYS NZ :NH3+ -174:sc= -1.18 (180deg=-1.26) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.27) USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 TYR OH : rot -80:sc= -2.6! USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N PHE A 6 14.712 -7.514 -2.172 1.00 71.12 N ATOM 65 CA PHE A 6 14.443 -7.990 -0.820 1.00 45.11 C ATOM 66 C PHE A 6 15.446 -7.405 0.171 1.00 34.41 C ATOM 67 O PHE A 6 15.116 -6.511 0.950 1.00 32.35 O ATOM 68 CB PHE A 6 14.496 -9.518 -0.775 1.00 24.44 C ATOM 69 CG PHE A 6 13.143 -10.167 -0.840 1.00 23.21 C ATOM 70 CD1 PHE A 6 12.199 -9.740 -1.760 1.00 1.05 C ATOM 71 CD2 PHE A 6 12.815 -11.204 0.019 1.00 65.12 C ATOM 72 CE1 PHE A 6 10.953 -10.335 -1.823 1.00 22.14 C ATOM 73 CE2 PHE A 6 11.571 -11.803 -0.040 1.00 24.31 C ATOM 74 CZ PHE A 6 10.639 -11.367 -0.961 1.00 33.52 C ATOM 0 HA PHE A 6 13.444 -7.660 -0.537 1.00 45.11 H new ATOM 0 HB2 PHE A 6 15.103 -9.877 -1.606 1.00 24.44 H new ATOM 0 HB3 PHE A 6 14.996 -9.829 0.142 1.00 24.44 H new ATOM 0 HD1 PHE A 6 12.440 -8.933 -2.436 1.00 1.05 H new ATOM 0 HD2 PHE A 6 13.540 -11.548 0.742 1.00 65.12 H new ATOM 0 HE1 PHE A 6 10.226 -9.993 -2.545 1.00 22.14 H new ATOM 0 HE2 PHE A 6 11.328 -12.611 0.634 1.00 24.31 H new ATOM 0 HZ PHE A 6 9.666 -11.833 -1.007 1.00 33.52 H new ATOM 84 N VAL A 7 16.672 -7.918 0.136 1.00 53.35 N ATOM 85 CA VAL A 7 17.723 -7.447 1.029 1.00 21.34 C ATOM 86 C VAL A 7 19.067 -7.387 0.313 1.00 24.40 C ATOM 87 O VAL A 7 19.476 -8.345 -0.344 1.00 24.30 O ATOM 88 CB VAL A 7 17.854 -8.353 2.268 1.00 32.50 C ATOM 89 CG1 VAL A 7 18.787 -7.727 3.292 1.00 1.55 C ATOM 90 CG2 VAL A 7 16.486 -8.624 2.876 1.00 30.32 C ATOM 0 H VAL A 7 16.961 -8.660 -0.501 1.00 53.35 H new ATOM 0 HA VAL A 7 17.440 -6.444 1.349 1.00 21.34 H new ATOM 0 HB VAL A 7 18.283 -9.305 1.956 1.00 32.50 H new ATOM 0 HG11 VAL A 7 18.867 -8.382 4.160 1.00 1.55 H new ATOM 0 HG12 VAL A 7 19.774 -7.590 2.849 1.00 1.55 H new ATOM 0 HG13 VAL A 7 18.391 -6.760 3.602 1.00 1.55 H new ATOM 0 HG21 VAL A 7 16.597 -9.266 3.750 1.00 30.32 H new ATOM 0 HG22 VAL A 7 16.027 -7.681 3.174 1.00 30.32 H new ATOM 0 HG23 VAL A 7 15.853 -9.120 2.140 1.00 30.32 H new ATOM 100 N HIS A 8 19.752 -6.255 0.444 1.00 31.43 N ATOM 101 CA HIS A 8 21.052 -6.070 -0.190 1.00 22.30 C ATOM 102 C HIS A 8 22.135 -5.816 0.855 1.00 71.35 C ATOM 103 O HIS A 8 22.100 -4.814 1.570 1.00 64.32 O ATOM 104 CB HIS A 8 20.999 -4.906 -1.180 1.00 63.30 C ATOM 105 CG HIS A 8 19.629 -4.646 -1.725 1.00 50.25 C ATOM 106 ND1 HIS A 8 19.038 -3.400 -1.712 1.00 34.24 N ATOM 107 CD2 HIS A 8 18.733 -5.479 -2.305 1.00 24.33 C ATOM 108 CE1 HIS A 8 17.837 -3.479 -2.257 1.00 20.10 C ATOM 109 NE2 HIS A 8 17.628 -4.730 -2.626 1.00 23.12 N ATOM 0 H HIS A 8 19.428 -5.452 0.984 1.00 31.43 H new ATOM 0 HA HIS A 8 21.299 -6.985 -0.729 1.00 22.30 H new ATOM 0 HB2 HIS A 8 21.362 -4.004 -0.688 1.00 63.30 H new ATOM 0 HB3 HIS A 8 21.677 -5.113 -2.008 1.00 63.30 H new ATOM 0 HD2 HIS A 8 18.863 -6.536 -2.482 1.00 24.33 H new ATOM 0 HE1 HIS A 8 17.144 -2.660 -2.380 1.00 20.10 H new ATOM 0 HE2 HIS A 8 16.783 -5.082 -3.076 1.00 23.12 H new ATOM 117 N THR A 9 23.096 -6.731 0.938 1.00 2.11 N ATOM 118 CA THR A 9 24.188 -6.607 1.896 1.00 74.30 C ATOM 119 C THR A 9 25.525 -6.430 1.186 1.00 71.00 C ATOM 120 O THR A 9 26.073 -7.381 0.630 1.00 52.04 O ATOM 121 CB THR A 9 24.268 -7.839 2.818 1.00 41.40 C ATOM 122 OG1 THR A 9 24.141 -9.038 2.046 1.00 51.21 O ATOM 123 CG2 THR A 9 23.177 -7.793 3.877 1.00 24.45 C ATOM 0 H THR A 9 23.140 -7.566 0.354 1.00 2.11 H new ATOM 0 HA THR A 9 23.981 -5.723 2.499 1.00 74.30 H new ATOM 0 HB THR A 9 25.237 -7.830 3.317 1.00 41.40 H new ATOM 0 HG1 THR A 9 23.517 -9.649 2.491 1.00 51.21 H new ATOM 0 HG21 THR A 9 23.253 -8.673 4.516 1.00 24.45 H new ATOM 0 HG22 THR A 9 23.295 -6.894 4.482 1.00 24.45 H new ATOM 0 HG23 THR A 9 22.200 -7.780 3.393 1.00 24.45 H new ATOM 131 N GLU A 10 26.045 -5.207 1.210 1.00 50.20 N ATOM 132 CA GLU A 10 27.319 -4.906 0.568 1.00 61.54 C ATOM 133 C GLU A 10 27.212 -5.052 -0.948 1.00 21.43 C ATOM 134 O GLU A 10 27.136 -4.061 -1.673 1.00 11.15 O ATOM 135 CB GLU A 10 28.416 -5.829 1.104 1.00 52.13 C ATOM 136 CG GLU A 10 28.252 -6.179 2.573 1.00 4.22 C ATOM 137 CD GLU A 10 27.954 -4.965 3.432 1.00 22.32 C ATOM 138 OE1 GLU A 10 28.864 -4.131 3.617 1.00 2.42 O ATOM 139 OE2 GLU A 10 26.810 -4.851 3.919 1.00 12.23 O ATOM 0 H GLU A 10 25.604 -4.409 1.667 1.00 50.20 H new ATOM 0 HA GLU A 10 27.578 -3.873 0.799 1.00 61.54 H new ATOM 0 HB2 GLU A 10 28.424 -6.748 0.519 1.00 52.13 H new ATOM 0 HB3 GLU A 10 29.385 -5.351 0.959 1.00 52.13 H new ATOM 0 HG2 GLU A 10 27.445 -6.904 2.682 1.00 4.22 H new ATOM 0 HG3 GLU A 10 29.162 -6.659 2.932 1.00 4.22 H new ATOM 146 N GLN A 11 27.208 -6.296 -1.418 1.00 11.34 N ATOM 147 CA GLN A 11 27.112 -6.571 -2.846 1.00 72.52 C ATOM 148 C GLN A 11 26.322 -7.851 -3.102 1.00 15.43 C ATOM 149 O GLN A 11 26.285 -8.356 -4.223 1.00 41.43 O ATOM 150 CB GLN A 11 28.508 -6.690 -3.459 1.00 42.43 C ATOM 151 CG GLN A 11 28.539 -6.429 -4.957 1.00 3.24 C ATOM 152 CD GLN A 11 29.903 -6.687 -5.566 1.00 23.02 C ATOM 153 OE1 GLN A 11 30.441 -7.790 -5.467 1.00 24.13 O ATOM 154 NE2 GLN A 11 30.471 -5.668 -6.201 1.00 74.43 N ATOM 0 H GLN A 11 27.270 -7.128 -0.831 1.00 11.34 H new ATOM 0 HA GLN A 11 26.586 -5.740 -3.315 1.00 72.52 H new ATOM 0 HB2 GLN A 11 29.175 -5.986 -2.962 1.00 42.43 H new ATOM 0 HB3 GLN A 11 28.897 -7.689 -3.265 1.00 42.43 H new ATOM 0 HG2 GLN A 11 27.800 -7.063 -5.448 1.00 3.24 H new ATOM 0 HG3 GLN A 11 28.250 -5.396 -5.148 1.00 3.24 H new ATOM 0 HE21 GLN A 11 29.989 -4.771 -6.259 1.00 74.43 H new ATOM 0 HE22 GLN A 11 31.389 -5.783 -6.631 1.00 74.43 H new ATOM 163 N ALA A 12 25.690 -8.370 -2.054 1.00 3.44 N ATOM 164 CA ALA A 12 24.899 -9.589 -2.165 1.00 44.11 C ATOM 165 C ALA A 12 23.418 -9.305 -1.938 1.00 24.21 C ATOM 166 O ALA A 12 23.017 -8.883 -0.853 1.00 21.21 O ATOM 167 CB ALA A 12 25.397 -10.633 -1.176 1.00 55.21 C ATOM 0 H ALA A 12 25.711 -7.965 -1.118 1.00 3.44 H new ATOM 0 HA ALA A 12 25.016 -9.978 -3.176 1.00 44.11 H new ATOM 0 HB1 ALA A 12 24.797 -11.538 -1.270 1.00 55.21 H new ATOM 0 HB2 ALA A 12 26.441 -10.866 -1.387 1.00 55.21 H new ATOM 0 HB3 ALA A 12 25.310 -10.244 -0.162 1.00 55.21 H new ATOM 173 N ILE A 13 22.611 -9.539 -2.967 1.00 44.43 N ATOM 174 CA ILE A 13 21.175 -9.308 -2.879 1.00 32.23 C ATOM 175 C ILE A 13 20.421 -10.615 -2.657 1.00 21.14 C ATOM 176 O ILE A 13 20.264 -11.417 -3.577 1.00 72.43 O ATOM 177 CB ILE A 13 20.635 -8.627 -4.150 1.00 15.33 C ATOM 178 CG1 ILE A 13 21.059 -7.157 -4.186 1.00 71.14 C ATOM 179 CG2 ILE A 13 19.119 -8.748 -4.212 1.00 43.23 C ATOM 180 CD1 ILE A 13 22.542 -6.962 -4.409 1.00 42.14 C ATOM 0 H ILE A 13 22.927 -9.888 -3.872 1.00 44.43 H new ATOM 0 HA ILE A 13 21.013 -8.648 -2.027 1.00 32.23 H new ATOM 0 HB ILE A 13 21.056 -9.129 -5.021 1.00 15.33 H new ATOM 0 HG12 ILE A 13 20.511 -6.648 -4.979 1.00 71.14 H new ATOM 0 HG13 ILE A 13 20.775 -6.682 -3.247 1.00 71.14 H new ATOM 0 HG21 ILE A 13 18.752 -8.262 -5.116 1.00 43.23 H new ATOM 0 HG22 ILE A 13 18.838 -9.801 -4.227 1.00 43.23 H new ATOM 0 HG23 ILE A 13 18.680 -8.268 -3.338 1.00 43.23 H new ATOM 0 HD11 ILE A 13 22.771 -5.896 -4.423 1.00 42.14 H new ATOM 0 HD12 ILE A 13 23.097 -7.442 -3.603 1.00 42.14 H new ATOM 0 HD13 ILE A 13 22.828 -7.407 -5.362 1.00 42.14 H new ATOM 192 N TYR A 14 19.956 -10.822 -1.430 1.00 15.21 N ATOM 193 CA TYR A 14 19.218 -12.032 -1.086 1.00 2.20 C ATOM 194 C TYR A 14 17.782 -11.958 -1.597 1.00 24.45 C ATOM 195 O TYR A 14 17.091 -10.959 -1.401 1.00 1.42 O ATOM 196 CB TYR A 14 19.222 -12.244 0.429 1.00 44.41 C ATOM 197 CG TYR A 14 20.571 -12.650 0.980 1.00 75.23 C ATOM 198 CD1 TYR A 14 21.663 -11.795 0.899 1.00 55.33 C ATOM 199 CD2 TYR A 14 20.753 -13.890 1.580 1.00 52.10 C ATOM 200 CE1 TYR A 14 22.896 -12.162 1.400 1.00 64.11 C ATOM 201 CE2 TYR A 14 21.983 -14.265 2.085 1.00 15.02 C ATOM 202 CZ TYR A 14 23.051 -13.398 1.993 1.00 42.14 C ATOM 203 OH TYR A 14 24.278 -13.768 2.493 1.00 22.53 O ATOM 0 H TYR A 14 20.077 -10.168 -0.657 1.00 15.21 H new ATOM 0 HA TYR A 14 19.712 -12.877 -1.565 1.00 2.20 H new ATOM 0 HB2 TYR A 14 18.902 -11.324 0.917 1.00 44.41 H new ATOM 0 HB3 TYR A 14 18.490 -13.011 0.682 1.00 44.41 H new ATOM 0 HD1 TYR A 14 21.545 -10.826 0.436 1.00 55.33 H new ATOM 0 HD2 TYR A 14 19.919 -14.572 1.653 1.00 52.10 H new ATOM 0 HE1 TYR A 14 23.735 -11.485 1.328 1.00 64.11 H new ATOM 0 HE2 TYR A 14 22.107 -15.232 2.549 1.00 15.02 H new ATOM 0 HH TYR A 14 24.152 -14.351 3.270 1.00 22.53 H new ATOM 213 N LYS A 15 17.339 -13.026 -2.252 1.00 44.33 N ATOM 214 CA LYS A 15 15.986 -13.086 -2.791 1.00 33.24 C ATOM 215 C LYS A 15 15.555 -14.532 -3.020 1.00 3.45 C ATOM 216 O LYS A 15 16.391 -15.423 -3.161 1.00 4.14 O ATOM 217 CB LYS A 15 15.901 -12.304 -4.103 1.00 43.12 C ATOM 218 CG LYS A 15 14.879 -11.181 -4.077 1.00 73.13 C ATOM 219 CD LYS A 15 15.506 -9.847 -4.444 1.00 4.45 C ATOM 220 CE LYS A 15 15.656 -9.696 -5.950 1.00 14.44 C ATOM 221 NZ LYS A 15 17.043 -9.994 -6.402 1.00 53.32 N ATOM 0 H LYS A 15 17.898 -13.862 -2.422 1.00 44.33 H new ATOM 0 HA LYS A 15 15.312 -12.635 -2.063 1.00 33.24 H new ATOM 0 HB2 LYS A 15 16.882 -11.886 -4.331 1.00 43.12 H new ATOM 0 HB3 LYS A 15 15.652 -12.992 -4.911 1.00 43.12 H new ATOM 0 HG2 LYS A 15 14.071 -11.407 -4.772 1.00 73.13 H new ATOM 0 HG3 LYS A 15 14.436 -11.114 -3.083 1.00 73.13 H new ATOM 0 HD2 LYS A 15 14.890 -9.036 -4.056 1.00 4.45 H new ATOM 0 HD3 LYS A 15 16.484 -9.761 -3.970 1.00 4.45 H new ATOM 0 HE2 LYS A 15 14.958 -10.365 -6.453 1.00 14.44 H new ATOM 0 HE3 LYS A 15 15.389 -8.680 -6.241 1.00 14.44 H new ATOM 0 HZ1 LYS A 15 17.010 -10.586 -7.256 1.00 53.32 H new ATOM 0 HZ2 LYS A 15 17.537 -9.104 -6.616 1.00 53.32 H new ATOM 0 HZ3 LYS A 15 17.552 -10.500 -5.649 1.00 53.32 H new ATOM 235 N ASN A 16 14.246 -14.756 -3.056 1.00 53.55 N ATOM 236 CA ASN A 16 13.705 -16.093 -3.269 1.00 72.14 C ATOM 237 C ASN A 16 13.829 -16.503 -4.734 1.00 31.33 C ATOM 238 O ASN A 16 13.176 -15.932 -5.606 1.00 72.13 O ATOM 239 CB ASN A 16 12.239 -16.148 -2.835 1.00 53.13 C ATOM 240 CG ASN A 16 12.085 -16.411 -1.350 1.00 0.13 C ATOM 241 OD1 ASN A 16 12.726 -17.305 -0.797 1.00 1.43 O ATOM 242 ND2 ASN A 16 11.231 -15.631 -0.696 1.00 64.32 N ATOM 0 H ASN A 16 13.540 -14.029 -2.940 1.00 53.55 H new ATOM 0 HA ASN A 16 14.282 -16.792 -2.664 1.00 72.14 H new ATOM 0 HB2 ASN A 16 11.753 -15.205 -3.087 1.00 53.13 H new ATOM 0 HB3 ASN A 16 11.726 -16.930 -3.395 1.00 53.13 H new ATOM 0 HD21 ASN A 16 11.085 -15.761 0.305 1.00 64.32 H new ATOM 0 HD22 ASN A 16 10.721 -14.902 -1.195 1.00 64.32 H new ATOM 249 N ALA A 17 14.671 -17.498 -4.995 1.00 3.54 N ATOM 250 CA ALA A 17 14.879 -17.986 -6.352 1.00 23.31 C ATOM 251 C ALA A 17 13.589 -18.550 -6.936 1.00 74.41 C ATOM 252 O ALA A 17 13.398 -18.559 -8.153 1.00 33.33 O ATOM 253 CB ALA A 17 15.975 -19.042 -6.371 1.00 11.22 C ATOM 0 H ALA A 17 15.220 -17.981 -4.284 1.00 3.54 H new ATOM 0 HA ALA A 17 15.190 -17.144 -6.971 1.00 23.31 H new ATOM 0 HB1 ALA A 17 16.120 -19.398 -7.391 1.00 11.22 H new ATOM 0 HB2 ALA A 17 16.905 -18.608 -6.003 1.00 11.22 H new ATOM 0 HB3 ALA A 17 15.687 -19.877 -5.733 1.00 11.22 H new ATOM 259 N HIS A 18 12.705 -19.021 -6.062 1.00 31.32 N ATOM 260 CA HIS A 18 11.431 -19.588 -6.492 1.00 4.33 C ATOM 261 C HIS A 18 10.462 -18.487 -6.912 1.00 73.42 C ATOM 262 O HIS A 18 9.488 -18.742 -7.622 1.00 51.34 O ATOM 263 CB HIS A 18 10.816 -20.424 -5.369 1.00 63.13 C ATOM 264 CG HIS A 18 10.258 -19.603 -4.248 1.00 35.40 C ATOM 265 ND1 HIS A 18 10.900 -19.446 -3.038 1.00 34.22 N ATOM 266 CD2 HIS A 18 9.110 -18.891 -4.159 1.00 3.41 C ATOM 267 CE1 HIS A 18 10.171 -18.674 -2.252 1.00 53.22 C ATOM 268 NE2 HIS A 18 9.080 -18.323 -2.909 1.00 12.40 N ATOM 0 H HIS A 18 12.847 -19.021 -5.052 1.00 31.32 H new ATOM 0 HA HIS A 18 11.618 -20.231 -7.352 1.00 4.33 H new ATOM 0 HB2 HIS A 18 10.022 -21.046 -5.783 1.00 63.13 H new ATOM 0 HB3 HIS A 18 11.575 -21.098 -4.972 1.00 63.13 H new ATOM 0 HD2 HIS A 18 8.358 -18.789 -4.928 1.00 3.41 H new ATOM 0 HE1 HIS A 18 10.424 -18.380 -1.244 1.00 53.22 H new ATOM 0 HE2 HIS A 18 8.336 -17.727 -2.547 1.00 12.40 H new ATOM 276 N LEU A 19 10.734 -17.265 -6.469 1.00 15.00 N ATOM 277 CA LEU A 19 9.885 -16.125 -6.799 1.00 33.33 C ATOM 278 C LEU A 19 10.618 -15.145 -7.709 1.00 22.31 C ATOM 279 O LEU A 19 10.103 -14.074 -8.031 1.00 33.15 O ATOM 280 CB LEU A 19 9.434 -15.414 -5.522 1.00 2.42 C ATOM 281 CG LEU A 19 7.935 -15.452 -5.225 1.00 74.42 C ATOM 282 CD1 LEU A 19 7.655 -14.944 -3.819 1.00 62.04 C ATOM 283 CD2 LEU A 19 7.166 -14.634 -6.253 1.00 24.12 C ATOM 0 H LEU A 19 11.535 -17.038 -5.880 1.00 15.00 H new ATOM 0 HA LEU A 19 9.008 -16.497 -7.329 1.00 33.33 H new ATOM 0 HB2 LEU A 19 9.962 -15.857 -4.678 1.00 2.42 H new ATOM 0 HB3 LEU A 19 9.746 -14.371 -5.582 1.00 2.42 H new ATOM 0 HG LEU A 19 7.599 -16.487 -5.288 1.00 74.42 H new ATOM 0 HD11 LEU A 19 6.583 -14.979 -3.626 1.00 62.04 H new ATOM 0 HD12 LEU A 19 8.174 -15.572 -3.095 1.00 62.04 H new ATOM 0 HD13 LEU A 19 8.007 -13.917 -3.726 1.00 62.04 H new ATOM 0 HD21 LEU A 19 6.101 -14.673 -6.026 1.00 24.12 H new ATOM 0 HD22 LEU A 19 7.506 -13.599 -6.223 1.00 24.12 H new ATOM 0 HD23 LEU A 19 7.340 -15.044 -7.248 1.00 24.12 H new ATOM 295 N THR A 20 11.825 -15.520 -8.124 1.00 15.05 N ATOM 296 CA THR A 20 12.629 -14.675 -8.998 1.00 33.44 C ATOM 297 C THR A 20 13.197 -15.475 -10.164 1.00 60.22 C ATOM 298 O THR A 20 12.917 -15.182 -11.327 1.00 44.22 O ATOM 299 CB THR A 20 13.789 -14.015 -8.229 1.00 31.30 C ATOM 300 OG1 THR A 20 14.660 -15.020 -7.699 1.00 65.54 O ATOM 301 CG2 THR A 20 13.263 -13.146 -7.097 1.00 53.42 C ATOM 0 H THR A 20 12.266 -16.403 -7.869 1.00 15.05 H new ATOM 0 HA THR A 20 11.969 -13.897 -9.382 1.00 33.44 H new ATOM 0 HB THR A 20 14.343 -13.384 -8.924 1.00 31.30 H new ATOM 0 HG1 THR A 20 14.196 -15.515 -6.992 1.00 65.54 H new ATOM 0 HG21 THR A 20 14.101 -12.691 -6.569 1.00 53.42 H new ATOM 0 HG22 THR A 20 12.623 -12.364 -7.506 1.00 53.42 H new ATOM 0 HG23 THR A 20 12.688 -13.760 -6.404 1.00 53.42 H new ATOM 309 N THR A 21 13.997 -16.489 -9.847 1.00 52.11 N ATOM 310 CA THR A 21 14.605 -17.331 -10.869 1.00 60.22 C ATOM 311 C THR A 21 14.958 -16.521 -12.111 1.00 50.31 C ATOM 312 O THR A 21 14.524 -16.823 -13.223 1.00 1.20 O ATOM 313 CB THR A 21 13.671 -18.488 -11.273 1.00 41.41 C ATOM 314 OG1 THR A 21 14.251 -19.233 -12.350 1.00 1.35 O ATOM 315 CG2 THR A 21 12.307 -17.960 -11.692 1.00 31.43 C ATOM 0 H THR A 21 14.239 -16.746 -8.890 1.00 52.11 H new ATOM 0 HA THR A 21 15.517 -17.744 -10.437 1.00 60.22 H new ATOM 0 HB THR A 21 13.542 -19.140 -10.409 1.00 41.41 H new ATOM 0 HG1 THR A 21 14.437 -18.631 -13.101 1.00 1.35 H new ATOM 0 HG21 THR A 21 11.664 -18.794 -11.973 1.00 31.43 H new ATOM 0 HG22 THR A 21 11.856 -17.418 -10.861 1.00 31.43 H new ATOM 0 HG23 THR A 21 12.422 -17.289 -12.543 1.00 31.43 H new ATOM 323 N PRO A 22 15.765 -15.466 -11.921 1.00 33.21 N ATOM 324 CA PRO A 22 16.195 -14.591 -13.015 1.00 71.15 C ATOM 325 C PRO A 22 17.164 -15.285 -13.966 1.00 62.41 C ATOM 326 O PRO A 22 17.288 -16.509 -13.956 1.00 72.34 O ATOM 327 CB PRO A 22 16.891 -13.435 -12.293 1.00 13.13 C ATOM 328 CG PRO A 22 17.348 -14.017 -11.000 1.00 12.23 C ATOM 329 CD PRO A 22 16.320 -15.047 -10.623 1.00 34.32 C ATOM 0 HA PRO A 22 15.358 -14.279 -13.640 1.00 71.15 H new ATOM 0 HB2 PRO A 22 17.730 -13.053 -12.874 1.00 13.13 H new ATOM 0 HB3 PRO A 22 16.209 -12.600 -12.132 1.00 13.13 H new ATOM 0 HG2 PRO A 22 18.334 -14.470 -11.103 1.00 12.23 H new ATOM 0 HG3 PRO A 22 17.429 -13.247 -10.233 1.00 12.23 H new ATOM 0 HD2 PRO A 22 16.768 -15.885 -10.088 1.00 34.32 H new ATOM 0 HD3 PRO A 22 15.551 -14.628 -9.973 1.00 34.32 H new ATOM 337 N ASN A 23 17.850 -14.495 -14.786 1.00 21.33 N ATOM 338 CA ASN A 23 18.809 -15.035 -15.743 1.00 51.00 C ATOM 339 C ASN A 23 19.924 -15.792 -15.028 1.00 41.31 C ATOM 340 O ASN A 23 19.825 -16.084 -13.836 1.00 50.12 O ATOM 341 CB ASN A 23 19.404 -13.909 -16.591 1.00 14.32 C ATOM 342 CG ASN A 23 18.345 -12.953 -17.107 1.00 64.12 C ATOM 343 OD1 ASN A 23 17.765 -13.168 -18.172 1.00 4.14 O ATOM 344 ND2 ASN A 23 18.089 -11.891 -16.353 1.00 3.50 N ATOM 0 H ASN A 23 17.760 -13.479 -14.807 1.00 21.33 H new ATOM 0 HA ASN A 23 18.281 -15.731 -16.395 1.00 51.00 H new ATOM 0 HB2 ASN A 23 20.131 -13.355 -15.997 1.00 14.32 H new ATOM 0 HB3 ASN A 23 19.943 -14.339 -17.435 1.00 14.32 H new ATOM 0 HD21 ASN A 23 17.387 -11.213 -16.649 1.00 3.50 H new ATOM 0 HD22 ASN A 23 18.594 -11.753 -15.478 1.00 3.50 H new ATOM 351 N ASP A 24 20.985 -16.105 -15.764 1.00 33.41 N ATOM 352 CA ASP A 24 22.120 -16.827 -15.201 1.00 0.45 C ATOM 353 C ASP A 24 23.166 -15.857 -14.661 1.00 4.51 C ATOM 354 O ASP A 24 24.367 -16.063 -14.838 1.00 13.03 O ATOM 355 CB ASP A 24 22.748 -17.738 -16.257 1.00 13.34 C ATOM 356 CG ASP A 24 23.323 -19.006 -15.658 1.00 62.45 C ATOM 357 OD1 ASP A 24 23.885 -18.936 -14.545 1.00 71.11 O ATOM 358 OD2 ASP A 24 23.211 -20.070 -16.303 1.00 41.43 O ATOM 0 H ASP A 24 21.083 -15.870 -16.752 1.00 33.41 H new ATOM 0 HA ASP A 24 21.757 -17.439 -14.375 1.00 0.45 H new ATOM 0 HB2 ASP A 24 21.996 -18.000 -17.001 1.00 13.34 H new ATOM 0 HB3 ASP A 24 23.537 -17.196 -16.778 1.00 13.34 H new ATOM 363 N GLN A 25 22.702 -14.799 -14.004 1.00 2.42 N ATOM 364 CA GLN A 25 23.599 -13.796 -13.440 1.00 74.14 C ATOM 365 C GLN A 25 23.771 -14.002 -11.939 1.00 63.42 C ATOM 366 O GLN A 25 24.565 -13.316 -11.294 1.00 72.20 O ATOM 367 CB GLN A 25 23.063 -12.390 -13.716 1.00 32.04 C ATOM 368 CG GLN A 25 23.475 -11.836 -15.070 1.00 75.42 C ATOM 369 CD GLN A 25 23.715 -10.340 -15.040 1.00 40.15 C ATOM 370 OE1 GLN A 25 24.158 -9.791 -14.031 1.00 44.35 O ATOM 371 NE2 GLN A 25 23.423 -9.671 -16.150 1.00 22.02 N ATOM 0 H GLN A 25 21.711 -14.614 -13.849 1.00 2.42 H new ATOM 0 HA GLN A 25 24.573 -13.906 -13.917 1.00 74.14 H new ATOM 0 HB2 GLN A 25 21.975 -12.407 -13.656 1.00 32.04 H new ATOM 0 HB3 GLN A 25 23.415 -11.716 -12.935 1.00 32.04 H new ATOM 0 HG2 GLN A 25 24.383 -12.339 -15.403 1.00 75.42 H new ATOM 0 HG3 GLN A 25 22.699 -12.061 -15.802 1.00 75.42 H new ATOM 0 HE21 GLN A 25 23.058 -10.167 -16.963 1.00 22.02 H new ATOM 0 HE22 GLN A 25 23.564 -8.662 -16.189 1.00 22.02 H new ATOM 380 N THR A 26 23.023 -14.952 -11.387 1.00 73.53 N ATOM 381 CA THR A 26 23.092 -15.248 -9.962 1.00 33.31 C ATOM 382 C THR A 26 24.506 -15.640 -9.549 1.00 71.14 C ATOM 383 O THR A 26 25.431 -15.607 -10.362 1.00 32.23 O ATOM 384 CB THR A 26 22.124 -16.383 -9.576 1.00 53.21 C ATOM 385 OG1 THR A 26 22.438 -17.568 -10.316 1.00 4.14 O ATOM 386 CG2 THR A 26 20.682 -15.979 -9.845 1.00 50.12 C ATOM 0 H THR A 26 22.362 -15.530 -11.906 1.00 73.53 H new ATOM 0 HA THR A 26 22.802 -14.338 -9.437 1.00 33.31 H new ATOM 0 HB THR A 26 22.237 -16.580 -8.510 1.00 53.21 H new ATOM 0 HG1 THR A 26 21.819 -18.285 -10.064 1.00 4.14 H new ATOM 0 HG21 THR A 26 20.017 -16.796 -9.565 1.00 50.12 H new ATOM 0 HG22 THR A 26 20.437 -15.094 -9.258 1.00 50.12 H new ATOM 0 HG23 THR A 26 20.558 -15.757 -10.905 1.00 50.12 H new ATOM 394 N ILE A 27 24.667 -16.011 -8.284 1.00 33.12 N ATOM 395 CA ILE A 27 25.969 -16.411 -7.765 1.00 32.10 C ATOM 396 C ILE A 27 25.872 -17.717 -6.984 1.00 13.04 C ATOM 397 O ILE A 27 26.397 -18.747 -7.407 1.00 64.31 O ATOM 398 CB ILE A 27 26.570 -15.324 -6.854 1.00 71.41 C ATOM 399 CG1 ILE A 27 26.894 -14.069 -7.667 1.00 24.23 C ATOM 400 CG2 ILE A 27 27.817 -15.848 -6.157 1.00 52.31 C ATOM 401 CD1 ILE A 27 26.053 -12.870 -7.288 1.00 64.22 C ATOM 0 H ILE A 27 23.912 -16.043 -7.599 1.00 33.12 H new ATOM 0 HA ILE A 27 26.622 -16.553 -8.626 1.00 32.10 H new ATOM 0 HB ILE A 27 25.836 -15.061 -6.093 1.00 71.41 H new ATOM 0 HG12 ILE A 27 27.947 -13.821 -7.533 1.00 24.23 H new ATOM 0 HG13 ILE A 27 26.749 -14.284 -8.726 1.00 24.23 H new ATOM 0 HG21 ILE A 27 28.231 -15.069 -5.517 1.00 52.31 H new ATOM 0 HG22 ILE A 27 27.557 -16.716 -5.551 1.00 52.31 H new ATOM 0 HG23 ILE A 27 28.558 -16.135 -6.903 1.00 52.31 H new ATOM 0 HD11 ILE A 27 26.337 -12.017 -7.904 1.00 64.22 H new ATOM 0 HD12 ILE A 27 25.000 -13.099 -7.448 1.00 64.22 H new ATOM 0 HD13 ILE A 27 26.216 -12.629 -6.238 1.00 64.22 H new ATOM 413 N LEU A 28 25.195 -17.668 -5.842 1.00 11.44 N ATOM 414 CA LEU A 28 25.026 -18.848 -5.000 1.00 44.55 C ATOM 415 C LEU A 28 23.601 -18.936 -4.465 1.00 53.43 C ATOM 416 O LEU A 28 23.080 -17.976 -3.894 1.00 23.51 O ATOM 417 CB LEU A 28 26.019 -18.815 -3.837 1.00 50.20 C ATOM 418 CG LEU A 28 26.629 -20.159 -3.438 1.00 4.45 C ATOM 419 CD1 LEU A 28 27.569 -19.987 -2.254 1.00 31.30 C ATOM 420 CD2 LEU A 28 25.536 -21.165 -3.111 1.00 72.34 C ATOM 0 H LEU A 28 24.754 -16.824 -5.477 1.00 11.44 H new ATOM 0 HA LEU A 28 25.220 -19.730 -5.610 1.00 44.55 H new ATOM 0 HB2 LEU A 28 26.829 -18.133 -4.096 1.00 50.20 H new ATOM 0 HB3 LEU A 28 25.515 -18.395 -2.967 1.00 50.20 H new ATOM 0 HG LEU A 28 27.205 -20.540 -4.281 1.00 4.45 H new ATOM 0 HD11 LEU A 28 27.994 -20.954 -1.984 1.00 31.30 H new ATOM 0 HD12 LEU A 28 28.371 -19.300 -2.523 1.00 31.30 H new ATOM 0 HD13 LEU A 28 27.016 -19.584 -1.406 1.00 31.30 H new ATOM 0 HD21 LEU A 28 25.989 -22.116 -2.829 1.00 72.34 H new ATOM 0 HD22 LEU A 28 24.933 -20.791 -2.284 1.00 72.34 H new ATOM 0 HD23 LEU A 28 24.902 -21.310 -3.986 1.00 72.34 H new ATOM 432 N LEU A 29 22.975 -20.092 -4.652 1.00 32.30 N ATOM 433 CA LEU A 29 21.609 -20.307 -4.186 1.00 22.22 C ATOM 434 C LEU A 29 21.445 -21.709 -3.608 1.00 64.53 C ATOM 435 O LEU A 29 21.918 -22.688 -4.185 1.00 64.20 O ATOM 436 CB LEU A 29 20.619 -20.097 -5.332 1.00 51.45 C ATOM 437 CG LEU A 29 20.407 -21.290 -6.264 1.00 64.35 C ATOM 438 CD1 LEU A 29 19.237 -22.138 -5.789 1.00 45.23 C ATOM 439 CD2 LEU A 29 20.181 -20.818 -7.693 1.00 54.21 C ATOM 0 H LEU A 29 23.391 -20.895 -5.123 1.00 32.30 H new ATOM 0 HA LEU A 29 21.402 -19.583 -3.398 1.00 22.22 H new ATOM 0 HB2 LEU A 29 19.655 -19.819 -4.906 1.00 51.45 H new ATOM 0 HB3 LEU A 29 20.960 -19.251 -5.929 1.00 51.45 H new ATOM 0 HG LEU A 29 21.306 -21.905 -6.244 1.00 64.35 H new ATOM 0 HD11 LEU A 29 19.102 -22.982 -6.465 1.00 45.23 H new ATOM 0 HD12 LEU A 29 19.440 -22.507 -4.784 1.00 45.23 H new ATOM 0 HD13 LEU A 29 18.330 -21.533 -5.778 1.00 45.23 H new ATOM 0 HD21 LEU A 29 20.032 -21.681 -8.342 1.00 54.21 H new ATOM 0 HD22 LEU A 29 19.298 -20.179 -7.730 1.00 54.21 H new ATOM 0 HD23 LEU A 29 21.051 -20.255 -8.032 1.00 54.21 H new ATOM 451 N ALA A 30 20.770 -21.799 -2.467 1.00 3.40 N ATOM 452 CA ALA A 30 20.540 -23.081 -1.814 1.00 20.13 C ATOM 453 C ALA A 30 19.115 -23.570 -2.050 1.00 40.33 C ATOM 454 O ALA A 30 18.156 -22.811 -1.906 1.00 54.34 O ATOM 455 CB ALA A 30 20.822 -22.972 -0.323 1.00 10.04 C ATOM 0 H ALA A 30 20.373 -20.998 -1.976 1.00 3.40 H new ATOM 0 HA ALA A 30 21.223 -23.810 -2.250 1.00 20.13 H new ATOM 0 HB1 ALA A 30 20.646 -23.937 0.152 1.00 10.04 H new ATOM 0 HB2 ALA A 30 21.860 -22.676 -0.170 1.00 10.04 H new ATOM 0 HB3 ALA A 30 20.163 -22.225 0.118 1.00 10.04 H new ATOM 461 N LEU A 31 18.983 -24.840 -2.414 1.00 62.44 N ATOM 462 CA LEU A 31 17.674 -25.431 -2.672 1.00 2.42 C ATOM 463 C LEU A 31 16.930 -25.695 -1.367 1.00 20.31 C ATOM 464 O LEU A 31 15.702 -25.783 -1.346 1.00 52.20 O ATOM 465 CB LEU A 31 17.826 -26.734 -3.459 1.00 2.52 C ATOM 466 CG LEU A 31 18.929 -26.753 -4.518 1.00 21.34 C ATOM 467 CD1 LEU A 31 18.890 -28.054 -5.305 1.00 1.21 C ATOM 468 CD2 LEU A 31 18.794 -25.559 -5.451 1.00 2.34 C ATOM 0 H LEU A 31 19.767 -25.481 -2.537 1.00 62.44 H new ATOM 0 HA LEU A 31 17.093 -24.723 -3.263 1.00 2.42 H new ATOM 0 HB2 LEU A 31 18.014 -27.542 -2.752 1.00 2.52 H new ATOM 0 HB3 LEU A 31 16.877 -26.953 -3.948 1.00 2.52 H new ATOM 0 HG LEU A 31 19.893 -26.686 -4.013 1.00 21.34 H new ATOM 0 HD11 LEU A 31 19.682 -28.050 -6.054 1.00 1.21 H new ATOM 0 HD12 LEU A 31 19.037 -28.894 -4.626 1.00 1.21 H new ATOM 0 HD13 LEU A 31 17.923 -28.151 -5.799 1.00 1.21 H new ATOM 0 HD21 LEU A 31 19.587 -25.589 -6.198 1.00 2.34 H new ATOM 0 HD22 LEU A 31 17.825 -25.594 -5.949 1.00 2.34 H new ATOM 0 HD23 LEU A 31 18.873 -24.637 -4.875 1.00 2.34 H new ATOM 480 N THR A 32 17.682 -25.820 -0.278 1.00 31.15 N ATOM 481 CA THR A 32 17.094 -26.073 1.032 1.00 62.41 C ATOM 482 C THR A 32 16.374 -24.838 1.560 1.00 43.22 C ATOM 483 O THR A 32 15.343 -24.945 2.223 1.00 5.43 O ATOM 484 CB THR A 32 18.163 -26.506 2.053 1.00 20.41 C ATOM 485 OG1 THR A 32 19.125 -25.460 2.229 1.00 33.12 O ATOM 486 CG2 THR A 32 18.865 -27.776 1.596 1.00 45.01 C ATOM 0 H THR A 32 18.700 -25.750 -0.277 1.00 31.15 H new ATOM 0 HA THR A 32 16.375 -26.882 0.904 1.00 62.41 H new ATOM 0 HB THR A 32 17.667 -26.706 3.003 1.00 20.41 H new ATOM 0 HG1 THR A 32 19.800 -25.743 2.881 1.00 33.12 H new ATOM 0 HG21 THR A 32 19.615 -28.062 2.333 1.00 45.01 H new ATOM 0 HG22 THR A 32 18.134 -28.578 1.492 1.00 45.01 H new ATOM 0 HG23 THR A 32 19.349 -27.599 0.635 1.00 45.01 H new ATOM 494 N ALA A 33 16.924 -23.665 1.260 1.00 32.43 N ATOM 495 CA ALA A 33 16.332 -22.409 1.703 1.00 71.03 C ATOM 496 C ALA A 33 15.663 -21.679 0.543 1.00 44.40 C ATOM 497 O ALA A 33 15.064 -20.619 0.727 1.00 4.10 O ATOM 498 CB ALA A 33 17.390 -21.525 2.346 1.00 12.12 C ATOM 0 H ALA A 33 17.778 -23.559 0.712 1.00 32.43 H new ATOM 0 HA ALA A 33 15.566 -22.638 2.444 1.00 71.03 H new ATOM 0 HB1 ALA A 33 16.934 -20.590 2.672 1.00 12.12 H new ATOM 0 HB2 ALA A 33 17.820 -22.039 3.206 1.00 12.12 H new ATOM 0 HB3 ALA A 33 18.176 -21.312 1.621 1.00 12.12 H new ATOM 504 N ASP A 34 15.770 -22.251 -0.651 1.00 23.21 N ATOM 505 CA ASP A 34 15.176 -21.654 -1.841 1.00 75.42 C ATOM 506 C ASP A 34 15.594 -20.194 -1.984 1.00 33.32 C ATOM 507 O ASP A 34 14.849 -19.374 -2.522 1.00 42.13 O ATOM 508 CB ASP A 34 13.651 -21.758 -1.782 1.00 13.31 C ATOM 509 CG ASP A 34 13.053 -22.252 -3.084 1.00 71.24 C ATOM 510 OD1 ASP A 34 13.698 -22.074 -4.138 1.00 50.53 O ATOM 511 OD2 ASP A 34 11.939 -22.817 -3.050 1.00 24.12 O ATOM 0 H ASP A 34 16.263 -23.128 -0.820 1.00 23.21 H new ATOM 0 HA ASP A 34 15.537 -22.202 -2.711 1.00 75.42 H new ATOM 0 HB2 ASP A 34 13.367 -22.434 -0.976 1.00 13.31 H new ATOM 0 HB3 ASP A 34 13.232 -20.781 -1.541 1.00 13.31 H new ATOM 516 N LEU A 35 16.788 -19.876 -1.497 1.00 61.22 N ATOM 517 CA LEU A 35 17.306 -18.514 -1.569 1.00 73.13 C ATOM 518 C LEU A 35 18.505 -18.436 -2.508 1.00 25.51 C ATOM 519 O LEU A 35 19.232 -19.414 -2.684 1.00 35.42 O ATOM 520 CB LEU A 35 17.701 -18.024 -0.176 1.00 5.55 C ATOM 521 CG LEU A 35 17.377 -16.563 0.139 1.00 43.40 C ATOM 522 CD1 LEU A 35 15.882 -16.310 0.021 1.00 23.31 C ATOM 523 CD2 LEU A 35 17.874 -16.193 1.529 1.00 65.30 C ATOM 0 H LEU A 35 17.416 -20.543 -1.048 1.00 61.22 H new ATOM 0 HA LEU A 35 16.518 -17.872 -1.963 1.00 73.13 H new ATOM 0 HB2 LEU A 35 17.204 -18.653 0.563 1.00 5.55 H new ATOM 0 HB3 LEU A 35 18.774 -18.172 -0.051 1.00 5.55 H new ATOM 0 HG LEU A 35 17.890 -15.933 -0.588 1.00 43.40 H new ATOM 0 HD11 LEU A 35 15.671 -15.265 0.249 1.00 23.31 H new ATOM 0 HD12 LEU A 35 15.554 -16.534 -0.994 1.00 23.31 H new ATOM 0 HD13 LEU A 35 15.348 -16.950 0.724 1.00 23.31 H new ATOM 0 HD21 LEU A 35 17.634 -15.150 1.735 1.00 65.30 H new ATOM 0 HD22 LEU A 35 17.390 -16.830 2.270 1.00 65.30 H new ATOM 0 HD23 LEU A 35 18.954 -16.334 1.579 1.00 65.30 H new ATOM 535 N GLN A 36 18.708 -17.267 -3.106 1.00 13.21 N ATOM 536 CA GLN A 36 19.821 -17.062 -4.025 1.00 52.22 C ATOM 537 C GLN A 36 20.475 -15.704 -3.793 1.00 42.14 C ATOM 538 O GLN A 36 19.842 -14.777 -3.287 1.00 31.54 O ATOM 539 CB GLN A 36 19.340 -17.169 -5.473 1.00 60.04 C ATOM 540 CG GLN A 36 18.370 -16.070 -5.875 1.00 52.13 C ATOM 541 CD GLN A 36 18.234 -15.933 -7.379 1.00 13.31 C ATOM 542 OE1 GLN A 36 17.758 -16.844 -8.057 1.00 21.25 O ATOM 543 NE2 GLN A 36 18.651 -14.789 -7.909 1.00 63.35 N ATOM 0 H GLN A 36 18.116 -16.447 -2.971 1.00 13.21 H new ATOM 0 HA GLN A 36 20.562 -17.839 -3.837 1.00 52.22 H new ATOM 0 HB2 GLN A 36 20.204 -17.140 -6.137 1.00 60.04 H new ATOM 0 HB3 GLN A 36 18.859 -18.137 -5.617 1.00 60.04 H new ATOM 0 HG2 GLN A 36 17.391 -16.279 -5.443 1.00 52.13 H new ATOM 0 HG3 GLN A 36 18.708 -15.122 -5.457 1.00 52.13 H new ATOM 0 HE21 GLN A 36 19.039 -14.061 -7.310 1.00 63.35 H new ATOM 0 HE22 GLN A 36 18.583 -14.639 -8.916 1.00 63.35 H new ATOM 552 N ILE A 37 21.745 -15.593 -4.167 1.00 65.42 N ATOM 553 CA ILE A 37 22.485 -14.348 -4.000 1.00 72.34 C ATOM 554 C ILE A 37 22.885 -13.761 -5.350 1.00 32.52 C ATOM 555 O ILE A 37 23.354 -14.477 -6.235 1.00 22.11 O ATOM 556 CB ILE A 37 23.750 -14.555 -3.148 1.00 5.04 C ATOM 557 CG1 ILE A 37 23.425 -15.390 -1.907 1.00 44.31 C ATOM 558 CG2 ILE A 37 24.345 -13.213 -2.749 1.00 3.24 C ATOM 559 CD1 ILE A 37 22.332 -14.794 -1.048 1.00 31.51 C ATOM 0 H ILE A 37 22.283 -16.350 -4.588 1.00 65.42 H new ATOM 0 HA ILE A 37 21.821 -13.653 -3.486 1.00 72.34 H new ATOM 0 HB ILE A 37 24.487 -15.095 -3.743 1.00 5.04 H new ATOM 0 HG12 ILE A 37 23.125 -16.390 -2.220 1.00 44.31 H new ATOM 0 HG13 ILE A 37 24.328 -15.501 -1.307 1.00 44.31 H new ATOM 0 HG21 ILE A 37 25.239 -13.376 -2.147 1.00 3.24 H new ATOM 0 HG22 ILE A 37 24.608 -12.651 -3.645 1.00 3.24 H new ATOM 0 HG23 ILE A 37 23.615 -12.649 -2.169 1.00 3.24 H new ATOM 0 HD11 ILE A 37 22.154 -15.438 -0.187 1.00 31.51 H new ATOM 0 HD12 ILE A 37 22.637 -13.805 -0.705 1.00 31.51 H new ATOM 0 HD13 ILE A 37 21.416 -14.708 -1.632 1.00 31.51 H new ATOM 571 N ASP A 38 22.697 -12.455 -5.499 1.00 45.13 N ATOM 572 CA ASP A 38 23.041 -11.770 -6.740 1.00 65.21 C ATOM 573 C ASP A 38 24.053 -10.657 -6.484 1.00 72.12 C ATOM 574 O ASP A 38 24.409 -10.380 -5.340 1.00 3.51 O ATOM 575 CB ASP A 38 21.785 -11.194 -7.395 1.00 21.10 C ATOM 576 CG ASP A 38 21.915 -11.086 -8.902 1.00 2.45 C ATOM 577 OD1 ASP A 38 22.429 -10.053 -9.379 1.00 54.44 O ATOM 578 OD2 ASP A 38 21.503 -12.033 -9.603 1.00 31.42 O ATOM 0 H ASP A 38 22.308 -11.849 -4.776 1.00 45.13 H new ATOM 0 HA ASP A 38 23.492 -12.498 -7.415 1.00 65.21 H new ATOM 0 HB2 ASP A 38 20.930 -11.825 -7.151 1.00 21.10 H new ATOM 0 HB3 ASP A 38 21.582 -10.207 -6.979 1.00 21.10 H new ATOM 583 N GLY A 39 24.512 -10.023 -7.559 1.00 24.21 N ATOM 584 CA GLY A 39 25.479 -8.949 -7.429 1.00 42.34 C ATOM 585 C GLY A 39 24.905 -7.602 -7.820 1.00 54.52 C ATOM 586 O GLY A 39 24.146 -7.499 -8.785 1.00 33.11 O ATOM 0 H GLY A 39 24.232 -10.234 -8.517 1.00 24.21 H new ATOM 0 HA2 GLY A 39 25.832 -8.905 -6.399 1.00 42.34 H new ATOM 0 HA3 GLY A 39 26.345 -9.167 -8.054 1.00 42.34 H new ATOM 590 N CYS A 40 25.265 -6.566 -7.070 1.00 32.43 N ATOM 591 CA CYS A 40 24.778 -5.219 -7.342 1.00 14.35 C ATOM 592 C CYS A 40 25.506 -4.193 -6.480 1.00 5.04 C ATOM 593 O CYS A 40 25.997 -4.514 -5.397 1.00 2.41 O ATOM 594 CB CYS A 40 23.272 -5.138 -7.088 1.00 54.42 C ATOM 595 SG CYS A 40 22.329 -4.430 -8.460 1.00 4.45 S ATOM 0 H CYS A 40 25.893 -6.634 -6.269 1.00 32.43 H new ATOM 0 HA CYS A 40 24.976 -4.993 -8.390 1.00 14.35 H new ATOM 0 HB2 CYS A 40 22.895 -6.139 -6.881 1.00 54.42 H new ATOM 0 HB3 CYS A 40 23.097 -4.540 -6.194 1.00 54.42 H new ATOM 0 HG CYS A 40 21.066 -4.406 -8.152 1.00 4.45 H new ATOM 601 N ASP A 41 25.575 -2.959 -6.968 1.00 33.42 N ATOM 602 CA ASP A 41 26.244 -1.886 -6.243 1.00 25.14 C ATOM 603 C ASP A 41 25.235 -1.034 -5.479 1.00 25.22 C ATOM 604 O ASP A 41 25.417 0.174 -5.329 1.00 73.25 O ATOM 605 CB ASP A 41 27.043 -1.010 -7.209 1.00 12.41 C ATOM 606 CG ASP A 41 27.856 -1.826 -8.194 1.00 23.12 C ATOM 607 OD1 ASP A 41 28.866 -2.430 -7.773 1.00 53.24 O ATOM 608 OD2 ASP A 41 27.483 -1.862 -9.385 1.00 22.13 O ATOM 0 H ASP A 41 25.175 -2.677 -7.863 1.00 33.42 H new ATOM 0 HA ASP A 41 26.928 -2.338 -5.524 1.00 25.14 H new ATOM 0 HB2 ASP A 41 26.359 -0.361 -7.756 1.00 12.41 H new ATOM 0 HB3 ASP A 41 27.710 -0.362 -6.640 1.00 12.41 H new ATOM 613 N GLN A 42 24.173 -1.672 -4.999 1.00 71.31 N ATOM 614 CA GLN A 42 23.134 -0.972 -4.253 1.00 5.14 C ATOM 615 C GLN A 42 23.117 -1.419 -2.794 1.00 42.54 C ATOM 616 O GLN A 42 22.239 -2.164 -2.358 1.00 44.33 O ATOM 617 CB GLN A 42 21.766 -1.217 -4.890 1.00 15.04 C ATOM 618 CG GLN A 42 21.796 -1.231 -6.409 1.00 75.34 C ATOM 619 CD GLN A 42 20.436 -1.516 -7.017 1.00 64.43 C ATOM 620 OE1 GLN A 42 19.715 -2.405 -6.564 1.00 13.03 O ATOM 621 NE2 GLN A 42 20.079 -0.762 -8.050 1.00 45.02 N ATOM 0 H GLN A 42 24.009 -2.672 -5.113 1.00 71.31 H new ATOM 0 HA GLN A 42 23.355 0.095 -4.285 1.00 5.14 H new ATOM 0 HB2 GLN A 42 21.374 -2.170 -4.534 1.00 15.04 H new ATOM 0 HB3 GLN A 42 21.075 -0.443 -4.556 1.00 15.04 H new ATOM 0 HG2 GLN A 42 22.157 -0.268 -6.770 1.00 75.34 H new ATOM 0 HG3 GLN A 42 22.506 -1.985 -6.748 1.00 75.34 H new ATOM 0 HE21 GLN A 42 20.708 -0.036 -8.393 1.00 45.02 H new ATOM 0 HE22 GLN A 42 19.176 -0.909 -8.501 1.00 45.02 H new ATOM 630 N PRO A 43 24.110 -0.954 -2.021 1.00 14.01 N ATOM 631 CA PRO A 43 24.230 -1.293 -0.600 1.00 4.42 C ATOM 632 C PRO A 43 23.138 -0.647 0.245 1.00 13.50 C ATOM 633 O PRO A 43 22.379 0.192 -0.239 1.00 44.44 O ATOM 634 CB PRO A 43 25.603 -0.733 -0.217 1.00 70.33 C ATOM 635 CG PRO A 43 25.849 0.366 -1.192 1.00 0.20 C ATOM 636 CD PRO A 43 25.190 -0.062 -2.474 1.00 50.20 C ATOM 0 HA PRO A 43 24.127 -2.364 -0.427 1.00 4.42 H new ATOM 0 HB2 PRO A 43 25.607 -0.361 0.808 1.00 70.33 H new ATOM 0 HB3 PRO A 43 26.375 -1.500 -0.281 1.00 70.33 H new ATOM 0 HG2 PRO A 43 25.431 1.307 -0.833 1.00 0.20 H new ATOM 0 HG3 PRO A 43 26.917 0.527 -1.337 1.00 0.20 H new ATOM 0 HD2 PRO A 43 24.800 0.791 -3.030 1.00 50.20 H new ATOM 0 HD3 PRO A 43 25.889 -0.579 -3.132 1.00 50.20 H new ATOM 644 N GLY A 44 23.063 -1.043 1.512 1.00 30.10 N ATOM 645 CA GLY A 44 22.060 -0.492 2.404 1.00 53.21 C ATOM 646 C GLY A 44 22.442 -0.632 3.864 1.00 31.20 C ATOM 647 O GLY A 44 23.350 -1.383 4.221 1.00 71.43 O ATOM 0 H GLY A 44 23.679 -1.736 1.937 1.00 30.10 H new ATOM 0 HA2 GLY A 44 21.910 0.562 2.170 1.00 53.21 H new ATOM 0 HA3 GLY A 44 21.109 -0.995 2.231 1.00 53.21 H new ATOM 651 N PRO A 45 21.740 0.105 4.737 1.00 12.31 N ATOM 652 CA PRO A 45 21.994 0.078 6.181 1.00 75.44 C ATOM 653 C PRO A 45 21.581 -1.246 6.816 1.00 10.55 C ATOM 654 O PRO A 45 21.959 -1.545 7.949 1.00 20.31 O ATOM 655 CB PRO A 45 21.127 1.221 6.715 1.00 22.20 C ATOM 656 CG PRO A 45 20.035 1.369 5.713 1.00 73.41 C ATOM 657 CD PRO A 45 20.644 1.022 4.382 1.00 12.44 C ATOM 0 HA PRO A 45 23.054 0.186 6.411 1.00 75.44 H new ATOM 0 HB2 PRO A 45 20.729 0.988 7.703 1.00 22.20 H new ATOM 0 HB3 PRO A 45 21.702 2.142 6.812 1.00 22.20 H new ATOM 0 HG2 PRO A 45 19.200 0.707 5.945 1.00 73.41 H new ATOM 0 HG3 PRO A 45 19.644 2.386 5.710 1.00 73.41 H new ATOM 0 HD2 PRO A 45 19.920 0.546 3.721 1.00 12.44 H new ATOM 0 HD3 PRO A 45 21.013 1.908 3.866 1.00 12.44 H new ATOM 665 N ASP A 46 20.804 -2.033 6.081 1.00 65.31 N ATOM 666 CA ASP A 46 20.342 -3.326 6.573 1.00 52.23 C ATOM 667 C ASP A 46 21.512 -4.167 7.075 1.00 55.34 C ATOM 668 O ASP A 46 22.402 -4.529 6.307 1.00 22.23 O ATOM 669 CB ASP A 46 19.594 -4.077 5.470 1.00 13.12 C ATOM 670 CG ASP A 46 18.598 -3.195 4.742 1.00 30.42 C ATOM 671 OD1 ASP A 46 17.504 -2.955 5.295 1.00 43.05 O ATOM 672 OD2 ASP A 46 18.912 -2.747 3.620 1.00 41.34 O ATOM 0 H ASP A 46 20.481 -1.799 5.142 1.00 65.31 H new ATOM 0 HA ASP A 46 19.663 -3.148 7.407 1.00 52.23 H new ATOM 0 HB2 ASP A 46 20.313 -4.476 4.754 1.00 13.12 H new ATOM 0 HB3 ASP A 46 19.071 -4.929 5.905 1.00 13.12 H new ATOM 677 N ASN A 47 21.502 -4.472 8.368 1.00 22.11 N ATOM 678 CA ASN A 47 22.563 -5.269 8.973 1.00 44.10 C ATOM 679 C ASN A 47 21.986 -6.470 9.716 1.00 11.30 C ATOM 680 O ASN A 47 21.649 -6.378 10.897 1.00 60.11 O ATOM 681 CB ASN A 47 23.390 -4.411 9.933 1.00 42.45 C ATOM 682 CG ASN A 47 24.800 -4.940 10.113 1.00 40.53 C ATOM 683 OD1 ASN A 47 25.314 -5.671 9.266 1.00 55.11 O ATOM 684 ND2 ASN A 47 25.433 -4.571 11.221 1.00 71.15 N ATOM 0 H ASN A 47 20.771 -4.180 9.017 1.00 22.11 H new ATOM 0 HA ASN A 47 23.208 -5.634 8.174 1.00 44.10 H new ATOM 0 HB2 ASN A 47 23.434 -3.389 9.557 1.00 42.45 H new ATOM 0 HB3 ASN A 47 22.893 -4.373 10.902 1.00 42.45 H new ATOM 0 HD21 ASN A 47 26.384 -4.895 11.397 1.00 71.15 H new ATOM 0 HD22 ASN A 47 24.968 -3.964 11.896 1.00 71.15 H new ATOM 691 N ILE A 48 21.875 -7.594 9.017 1.00 42.14 N ATOM 692 CA ILE A 48 21.340 -8.813 9.610 1.00 3.14 C ATOM 693 C ILE A 48 22.053 -9.147 10.916 1.00 2.24 C ATOM 694 O ILE A 48 23.266 -9.355 10.955 1.00 41.30 O ATOM 695 CB ILE A 48 21.466 -10.010 8.649 1.00 5.33 C ATOM 696 CG1 ILE A 48 20.719 -9.725 7.345 1.00 35.31 C ATOM 697 CG2 ILE A 48 20.935 -11.275 9.306 1.00 10.21 C ATOM 698 CD1 ILE A 48 21.451 -10.204 6.112 1.00 63.35 C ATOM 0 H ILE A 48 22.149 -7.686 8.039 1.00 42.14 H new ATOM 0 HA ILE A 48 20.285 -8.629 9.811 1.00 3.14 H new ATOM 0 HB ILE A 48 22.520 -10.161 8.416 1.00 5.33 H new ATOM 0 HG12 ILE A 48 19.740 -10.203 7.385 1.00 35.31 H new ATOM 0 HG13 ILE A 48 20.547 -8.652 7.261 1.00 35.31 H new ATOM 0 HG21 ILE A 48 21.031 -12.112 8.614 1.00 10.21 H new ATOM 0 HG22 ILE A 48 21.508 -11.484 10.210 1.00 10.21 H new ATOM 0 HG23 ILE A 48 19.885 -11.137 9.565 1.00 10.21 H new ATOM 0 HD11 ILE A 48 20.863 -9.968 5.225 1.00 63.35 H new ATOM 0 HD12 ILE A 48 22.419 -9.707 6.048 1.00 63.35 H new ATOM 0 HD13 ILE A 48 21.600 -11.282 6.173 1.00 63.35 H new ATOM 710 N PRO A 49 21.283 -9.202 12.013 1.00 4.24 N ATOM 711 CA PRO A 49 21.819 -9.513 13.342 1.00 44.21 C ATOM 712 C PRO A 49 22.264 -10.966 13.462 1.00 61.52 C ATOM 713 O PRO A 49 22.375 -11.676 12.462 1.00 70.11 O ATOM 714 CB PRO A 49 20.638 -9.236 14.275 1.00 73.52 C ATOM 715 CG PRO A 49 19.431 -9.413 13.420 1.00 74.52 C ATOM 716 CD PRO A 49 19.830 -8.965 12.041 1.00 22.13 C ATOM 0 HA PRO A 49 22.707 -8.924 13.571 1.00 44.21 H new ATOM 0 HB2 PRO A 49 20.630 -9.926 15.119 1.00 73.52 H new ATOM 0 HB3 PRO A 49 20.687 -8.228 14.687 1.00 73.52 H new ATOM 0 HG2 PRO A 49 19.107 -10.454 13.414 1.00 74.52 H new ATOM 0 HG3 PRO A 49 18.596 -8.821 13.796 1.00 74.52 H new ATOM 0 HD2 PRO A 49 19.315 -9.536 11.268 1.00 22.13 H new ATOM 0 HD3 PRO A 49 19.591 -7.915 11.875 1.00 22.13 H new ATOM 724 N ASP A 50 22.517 -11.403 14.691 1.00 60.45 N ATOM 725 CA ASP A 50 22.948 -12.774 14.941 1.00 3.31 C ATOM 726 C ASP A 50 22.340 -13.307 16.234 1.00 10.05 C ATOM 727 O ASP A 50 22.984 -13.303 17.284 1.00 62.31 O ATOM 728 CB ASP A 50 24.474 -12.846 15.013 1.00 4.42 C ATOM 729 CG ASP A 50 25.138 -12.348 13.744 1.00 31.20 C ATOM 730 OD1 ASP A 50 24.777 -12.840 12.654 1.00 45.42 O ATOM 731 OD2 ASP A 50 26.017 -11.467 13.841 1.00 41.11 O ATOM 0 H ASP A 50 22.431 -10.828 15.529 1.00 60.45 H new ATOM 0 HA ASP A 50 22.601 -13.394 14.115 1.00 3.31 H new ATOM 0 HB2 ASP A 50 24.823 -12.254 15.859 1.00 4.42 H new ATOM 0 HB3 ASP A 50 24.778 -13.876 15.198 1.00 4.42 H new ATOM 736 N CYS A 51 21.095 -13.764 16.152 1.00 30.13 N ATOM 737 CA CYS A 51 20.398 -14.299 17.316 1.00 70.25 C ATOM 738 C CYS A 51 19.191 -15.131 16.891 1.00 30.13 C ATOM 739 O CYS A 51 19.123 -16.330 17.164 1.00 45.23 O ATOM 740 CB CYS A 51 19.949 -13.162 18.235 1.00 5.13 C ATOM 741 SG CYS A 51 18.685 -13.646 19.454 1.00 53.12 S ATOM 0 H CYS A 51 20.548 -13.775 15.291 1.00 30.13 H new ATOM 0 HA CYS A 51 21.090 -14.944 17.858 1.00 70.25 H new ATOM 0 HB2 CYS A 51 20.818 -12.772 18.764 1.00 5.13 H new ATOM 0 HB3 CYS A 51 19.557 -12.349 17.624 1.00 5.13 H new ATOM 0 HG CYS A 51 18.953 -13.094 20.600 1.00 53.12 H new ATOM 746 N ASP A 52 18.241 -14.486 16.223 1.00 31.51 N ATOM 747 CA ASP A 52 17.037 -15.166 15.760 1.00 73.14 C ATOM 748 C ASP A 52 16.177 -15.612 16.938 1.00 31.30 C ATOM 749 O ASP A 52 16.164 -16.789 17.301 1.00 61.13 O ATOM 750 CB ASP A 52 17.407 -16.373 14.896 1.00 31.24 C ATOM 751 CG ASP A 52 18.664 -16.139 14.082 1.00 22.13 C ATOM 752 OD1 ASP A 52 18.852 -15.006 13.592 1.00 14.41 O ATOM 753 OD2 ASP A 52 19.461 -17.089 13.936 1.00 3.01 O ATOM 0 H ASP A 52 18.281 -13.494 15.990 1.00 31.51 H new ATOM 0 HA ASP A 52 16.461 -14.462 15.159 1.00 73.14 H new ATOM 0 HB2 ASP A 52 17.549 -17.244 15.536 1.00 31.24 H new ATOM 0 HB3 ASP A 52 16.580 -16.602 14.224 1.00 31.24 H new ATOM 758 N CYS A 53 15.460 -14.665 17.533 1.00 0.21 N ATOM 759 CA CYS A 53 14.598 -14.959 18.672 1.00 42.34 C ATOM 760 C CYS A 53 13.421 -15.834 18.251 1.00 12.41 C ATOM 761 O CYS A 53 13.346 -16.288 17.109 1.00 44.12 O ATOM 762 CB CYS A 53 14.085 -13.661 19.298 1.00 41.40 C ATOM 763 SG CYS A 53 15.371 -12.682 20.139 1.00 50.54 S ATOM 0 H CYS A 53 15.459 -13.686 17.245 1.00 0.21 H new ATOM 0 HA CYS A 53 15.186 -15.503 19.411 1.00 42.34 H new ATOM 0 HB2 CYS A 53 13.629 -13.050 18.519 1.00 41.40 H new ATOM 0 HB3 CYS A 53 13.300 -13.901 20.015 1.00 41.40 H new ATOM 0 HG CYS A 53 16.545 -13.120 19.793 1.00 50.54 H new ATOM 768 N THR A 54 12.501 -16.066 19.183 1.00 61.25 N ATOM 769 CA THR A 54 11.328 -16.887 18.910 1.00 12.30 C ATOM 770 C THR A 54 10.082 -16.025 18.736 1.00 5.13 C ATOM 771 O THR A 54 9.368 -16.144 17.741 1.00 15.24 O ATOM 772 CB THR A 54 11.080 -17.905 20.039 1.00 61.23 C ATOM 773 OG1 THR A 54 11.123 -17.248 21.310 1.00 14.40 O ATOM 774 CG2 THR A 54 12.118 -19.017 20.002 1.00 10.20 C ATOM 0 H THR A 54 12.546 -15.697 20.133 1.00 61.25 H new ATOM 0 HA THR A 54 11.527 -17.425 17.983 1.00 12.30 H new ATOM 0 HB THR A 54 10.094 -18.345 19.891 1.00 61.23 H new ATOM 0 HG1 THR A 54 10.963 -17.902 22.022 1.00 14.40 H new ATOM 0 HG21 THR A 54 11.923 -19.724 20.808 1.00 10.20 H new ATOM 0 HG22 THR A 54 12.063 -19.535 19.044 1.00 10.20 H new ATOM 0 HG23 THR A 54 13.113 -18.590 20.127 1.00 10.20 H new ATOM 782 N SER A 55 9.829 -15.156 19.710 1.00 31.52 N ATOM 783 CA SER A 55 8.667 -14.276 19.666 1.00 62.20 C ATOM 784 C SER A 55 9.036 -12.920 19.072 1.00 75.13 C ATOM 785 O SER A 55 9.692 -12.104 19.718 1.00 72.34 O ATOM 786 CB SER A 55 8.088 -14.090 21.070 1.00 61.23 C ATOM 787 OG SER A 55 7.173 -13.009 21.105 1.00 73.03 O ATOM 0 H SER A 55 10.413 -15.043 20.539 1.00 31.52 H new ATOM 0 HA SER A 55 7.914 -14.740 19.029 1.00 62.20 H new ATOM 0 HB2 SER A 55 7.586 -15.005 21.384 1.00 61.23 H new ATOM 0 HB3 SER A 55 8.896 -13.910 21.779 1.00 61.23 H new ATOM 0 HG SER A 55 6.816 -12.912 22.012 1.00 73.03 H new ATOM 793 N GLY A 56 8.607 -12.687 17.835 1.00 43.04 N ATOM 794 CA GLY A 56 8.901 -11.429 17.173 1.00 61.44 C ATOM 795 C GLY A 56 7.692 -10.851 16.465 1.00 42.44 C ATOM 796 O GLY A 56 6.563 -10.989 16.936 1.00 31.23 O ATOM 0 H GLY A 56 8.062 -13.346 17.280 1.00 43.04 H new ATOM 0 HA2 GLY A 56 9.265 -10.711 17.908 1.00 61.44 H new ATOM 0 HA3 GLY A 56 9.703 -11.581 16.451 1.00 61.44 H new ATOM 800 N CYS A 57 7.928 -10.199 15.331 1.00 21.33 N ATOM 801 CA CYS A 57 6.849 -9.595 14.558 1.00 42.30 C ATOM 802 C CYS A 57 7.195 -9.566 13.073 1.00 73.13 C ATOM 803 O CYS A 57 8.282 -9.136 12.686 1.00 54.01 O ATOM 804 CB CYS A 57 6.569 -8.176 15.056 1.00 24.24 C ATOM 805 SG CYS A 57 8.007 -7.080 15.009 1.00 32.32 S ATOM 0 H CYS A 57 8.857 -10.076 14.927 1.00 21.33 H new ATOM 0 HA CYS A 57 5.954 -10.203 14.693 1.00 42.30 H new ATOM 0 HB2 CYS A 57 5.774 -7.740 14.451 1.00 24.24 H new ATOM 0 HB3 CYS A 57 6.199 -8.228 16.080 1.00 24.24 H new ATOM 0 HG CYS A 57 9.091 -7.779 15.170 1.00 32.32 H new ATOM 811 N TYR A 58 6.264 -10.028 12.245 1.00 31.23 N ATOM 812 CA TYR A 58 6.471 -10.059 10.802 1.00 24.54 C ATOM 813 C TYR A 58 5.426 -9.212 10.083 1.00 21.32 C ATOM 814 O TYR A 58 4.301 -9.059 10.558 1.00 35.42 O ATOM 815 CB TYR A 58 6.418 -11.500 10.289 1.00 12.55 C ATOM 816 CG TYR A 58 5.054 -11.911 9.782 1.00 22.22 C ATOM 817 CD1 TYR A 58 4.097 -12.430 10.646 1.00 4.43 C ATOM 818 CD2 TYR A 58 4.723 -11.783 8.439 1.00 12.21 C ATOM 819 CE1 TYR A 58 2.850 -12.808 10.187 1.00 4.23 C ATOM 820 CE2 TYR A 58 3.478 -12.157 7.972 1.00 50.04 C ATOM 821 CZ TYR A 58 2.545 -12.669 8.849 1.00 24.13 C ATOM 822 OH TYR A 58 1.305 -13.044 8.387 1.00 33.33 O ATOM 0 H TYR A 58 5.359 -10.386 12.549 1.00 31.23 H new ATOM 0 HA TYR A 58 7.456 -9.642 10.593 1.00 24.54 H new ATOM 0 HB2 TYR A 58 7.146 -11.618 9.486 1.00 12.55 H new ATOM 0 HB3 TYR A 58 6.717 -12.174 11.092 1.00 12.55 H new ATOM 0 HD1 TYR A 58 4.332 -12.540 11.694 1.00 4.43 H new ATOM 0 HD2 TYR A 58 5.451 -11.384 7.748 1.00 12.21 H new ATOM 0 HE1 TYR A 58 2.118 -13.210 10.872 1.00 4.23 H new ATOM 0 HE2 TYR A 58 3.236 -12.049 6.925 1.00 50.04 H new ATOM 0 HH TYR A 58 1.241 -12.851 7.428 1.00 33.33 H new ATOM 832 N TYR A 59 5.807 -8.664 8.935 1.00 71.43 N ATOM 833 CA TYR A 59 4.905 -7.831 8.149 1.00 15.12 C ATOM 834 C TYR A 59 3.771 -8.663 7.558 1.00 54.22 C ATOM 835 O TYR A 59 3.950 -9.353 6.555 1.00 60.14 O ATOM 836 CB TYR A 59 5.672 -7.126 7.030 1.00 43.13 C ATOM 837 CG TYR A 59 4.835 -6.137 6.251 1.00 73.25 C ATOM 838 CD1 TYR A 59 3.999 -5.239 6.902 1.00 2.32 C ATOM 839 CD2 TYR A 59 4.880 -6.101 4.862 1.00 31.22 C ATOM 840 CE1 TYR A 59 3.232 -4.334 6.194 1.00 33.41 C ATOM 841 CE2 TYR A 59 4.117 -5.199 4.146 1.00 70.21 C ATOM 842 CZ TYR A 59 3.294 -4.318 4.816 1.00 22.33 C ATOM 843 OH TYR A 59 2.532 -3.418 4.107 1.00 3.04 O ATOM 0 H TYR A 59 6.735 -8.782 8.528 1.00 71.43 H new ATOM 0 HA TYR A 59 4.474 -7.081 8.812 1.00 15.12 H new ATOM 0 HB2 TYR A 59 6.528 -6.605 7.460 1.00 43.13 H new ATOM 0 HB3 TYR A 59 6.066 -7.875 6.344 1.00 43.13 H new ATOM 0 HD1 TYR A 59 3.948 -5.248 7.981 1.00 2.32 H new ATOM 0 HD2 TYR A 59 5.522 -6.790 4.334 1.00 31.22 H new ATOM 0 HE1 TYR A 59 2.587 -3.643 6.717 1.00 33.41 H new ATOM 0 HE2 TYR A 59 4.165 -5.184 3.067 1.00 70.21 H new ATOM 0 HH TYR A 59 1.587 -3.533 4.341 1.00 3.04 H new ATOM 853 N SER A 60 2.602 -8.591 8.187 1.00 1.23 N ATOM 854 CA SER A 60 1.438 -9.339 7.727 1.00 44.04 C ATOM 855 C SER A 60 0.750 -8.617 6.572 1.00 3.22 C ATOM 856 O SER A 60 0.008 -7.657 6.780 1.00 4.44 O ATOM 857 CB SER A 60 0.450 -9.544 8.876 1.00 30.42 C ATOM 858 OG SER A 60 -0.349 -10.695 8.662 1.00 11.03 O ATOM 0 H SER A 60 2.436 -8.022 9.017 1.00 1.23 H new ATOM 0 HA SER A 60 1.779 -10.312 7.373 1.00 44.04 H new ATOM 0 HB2 SER A 60 0.995 -9.645 9.815 1.00 30.42 H new ATOM 0 HB3 SER A 60 -0.189 -8.666 8.971 1.00 30.42 H new ATOM 0 HG SER A 60 0.228 -11.484 8.585 1.00 11.03 H new ATOM 864 N ARG A 61 1.002 -9.086 5.355 1.00 65.13 N ATOM 865 CA ARG A 61 0.409 -8.485 4.166 1.00 21.22 C ATOM 866 C ARG A 61 -1.113 -8.459 4.272 1.00 2.14 C ATOM 867 O ARG A 61 -1.771 -7.594 3.694 1.00 4.23 O ATOM 868 CB ARG A 61 0.830 -9.257 2.914 1.00 4.32 C ATOM 869 CG ARG A 61 1.091 -8.367 1.710 1.00 74.15 C ATOM 870 CD ARG A 61 2.579 -8.152 1.487 1.00 65.20 C ATOM 871 NE ARG A 61 3.108 -9.023 0.441 1.00 71.24 N ATOM 872 CZ ARG A 61 2.851 -8.859 -0.852 1.00 54.52 C ATOM 873 NH1 ARG A 61 2.077 -7.860 -1.256 1.00 33.44 N ATOM 874 NH2 ARG A 61 3.368 -9.693 -1.745 1.00 5.15 N ATOM 0 H ARG A 61 1.613 -9.881 5.166 1.00 65.13 H new ATOM 0 HA ARG A 61 0.769 -7.459 4.090 1.00 21.22 H new ATOM 0 HB2 ARG A 61 1.732 -9.828 3.135 1.00 4.32 H new ATOM 0 HB3 ARG A 61 0.051 -9.976 2.662 1.00 4.32 H new ATOM 0 HG2 ARG A 61 0.650 -8.818 0.821 1.00 74.15 H new ATOM 0 HG3 ARG A 61 0.601 -7.404 1.855 1.00 74.15 H new ATOM 0 HD2 ARG A 61 2.758 -7.111 1.217 1.00 65.20 H new ATOM 0 HD3 ARG A 61 3.115 -8.337 2.418 1.00 65.20 H new ATOM 0 HE ARG A 61 3.708 -9.800 0.718 1.00 71.24 H new ATOM 0 HH11 ARG A 61 1.678 -7.216 -0.573 1.00 33.44 H new ATOM 0 HH12 ARG A 61 1.881 -7.736 -2.249 1.00 33.44 H new ATOM 0 HH21 ARG A 61 3.964 -10.462 -1.439 1.00 5.15 H new ATOM 0 HH22 ARG A 61 3.169 -9.565 -2.737 1.00 5.15 H new ATOM 888 N SER A 62 -1.666 -9.413 5.015 1.00 63.04 N ATOM 889 CA SER A 62 -3.110 -9.502 5.193 1.00 32.12 C ATOM 890 C SER A 62 -3.643 -8.279 5.933 1.00 4.40 C ATOM 891 O SER A 62 -4.596 -7.636 5.490 1.00 64.43 O ATOM 892 CB SER A 62 -3.473 -10.774 5.961 1.00 21.53 C ATOM 893 OG SER A 62 -3.954 -11.779 5.085 1.00 22.34 O ATOM 0 H SER A 62 -1.136 -10.135 5.503 1.00 63.04 H new ATOM 0 HA SER A 62 -3.571 -9.537 4.206 1.00 32.12 H new ATOM 0 HB2 SER A 62 -2.597 -11.142 6.496 1.00 21.53 H new ATOM 0 HB3 SER A 62 -4.232 -10.546 6.710 1.00 21.53 H new ATOM 0 HG SER A 62 -3.876 -12.655 5.518 1.00 22.34 H new ATOM 899 N LEU A 63 -3.020 -7.962 7.063 1.00 15.31 N ATOM 900 CA LEU A 63 -3.430 -6.815 7.866 1.00 13.05 C ATOM 901 C LEU A 63 -2.669 -5.560 7.452 1.00 12.20 C ATOM 902 O LEU A 63 -2.826 -4.499 8.056 1.00 13.41 O ATOM 903 CB LEU A 63 -3.198 -7.099 9.352 1.00 54.24 C ATOM 904 CG LEU A 63 -3.964 -8.287 9.935 1.00 1.35 C ATOM 905 CD1 LEU A 63 -5.407 -8.280 9.455 1.00 63.31 C ATOM 906 CD2 LEU A 63 -3.282 -9.595 9.564 1.00 61.32 C ATOM 0 H LEU A 63 -2.230 -8.483 7.444 1.00 15.31 H new ATOM 0 HA LEU A 63 -4.493 -6.645 7.696 1.00 13.05 H new ATOM 0 HB2 LEU A 63 -2.132 -7.268 9.507 1.00 54.24 H new ATOM 0 HB3 LEU A 63 -3.465 -6.207 9.918 1.00 54.24 H new ATOM 0 HG LEU A 63 -3.965 -8.197 11.021 1.00 1.35 H new ATOM 0 HD11 LEU A 63 -5.936 -9.133 9.880 1.00 63.31 H new ATOM 0 HD12 LEU A 63 -5.892 -7.357 9.773 1.00 63.31 H new ATOM 0 HD13 LEU A 63 -5.429 -8.345 8.367 1.00 63.31 H new ATOM 0 HD21 LEU A 63 -3.841 -10.430 9.987 1.00 61.32 H new ATOM 0 HD22 LEU A 63 -3.249 -9.693 8.479 1.00 61.32 H new ATOM 0 HD23 LEU A 63 -2.266 -9.601 9.959 1.00 61.32 H new ATOM 918 N ASP A 64 -1.846 -5.688 6.417 1.00 33.01 N ATOM 919 CA ASP A 64 -1.063 -4.563 5.919 1.00 30.21 C ATOM 920 C ASP A 64 -0.309 -3.880 7.056 1.00 34.21 C ATOM 921 O ASP A 64 -0.363 -2.659 7.204 1.00 64.13 O ATOM 922 CB ASP A 64 -1.971 -3.554 5.214 1.00 61.41 C ATOM 923 CG ASP A 64 -1.190 -2.437 4.550 1.00 24.52 C ATOM 924 OD1 ASP A 64 -0.188 -2.739 3.869 1.00 44.42 O ATOM 925 OD2 ASP A 64 -1.580 -1.262 4.713 1.00 24.10 O ATOM 0 H ASP A 64 -1.704 -6.560 5.907 1.00 33.01 H new ATOM 0 HA ASP A 64 -0.336 -4.947 5.204 1.00 30.21 H new ATOM 0 HB2 ASP A 64 -2.570 -4.071 4.464 1.00 61.41 H new ATOM 0 HB3 ASP A 64 -2.666 -3.127 5.938 1.00 61.41 H new ATOM 930 N ARG A 65 0.391 -4.676 7.857 1.00 32.34 N ATOM 931 CA ARG A 65 1.153 -4.149 8.982 1.00 3.34 C ATOM 932 C ARG A 65 1.867 -5.271 9.730 1.00 62.43 C ATOM 933 O ARG A 65 1.550 -6.448 9.553 1.00 44.02 O ATOM 934 CB ARG A 65 0.232 -3.390 9.939 1.00 31.04 C ATOM 935 CG ARG A 65 -1.026 -4.158 10.311 1.00 71.03 C ATOM 936 CD ARG A 65 -1.142 -4.343 11.816 1.00 54.54 C ATOM 937 NE ARG A 65 -2.453 -4.856 12.204 1.00 21.54 N ATOM 938 CZ ARG A 65 -2.802 -5.102 13.462 1.00 33.42 C ATOM 939 NH1 ARG A 65 -1.943 -4.882 14.448 1.00 70.04 N ATOM 940 NH2 ARG A 65 -4.014 -5.569 13.736 1.00 23.34 N ATOM 0 H ARG A 65 0.446 -5.689 7.748 1.00 32.34 H new ATOM 0 HA ARG A 65 1.903 -3.463 8.589 1.00 3.34 H new ATOM 0 HB2 ARG A 65 0.784 -3.151 10.848 1.00 31.04 H new ATOM 0 HB3 ARG A 65 -0.053 -2.443 9.481 1.00 31.04 H new ATOM 0 HG2 ARG A 65 -1.902 -3.625 9.940 1.00 71.03 H new ATOM 0 HG3 ARG A 65 -1.016 -5.133 9.823 1.00 71.03 H new ATOM 0 HD2 ARG A 65 -0.368 -5.030 12.158 1.00 54.54 H new ATOM 0 HD3 ARG A 65 -0.964 -3.390 12.313 1.00 54.54 H new ATOM 0 HE ARG A 65 -3.138 -5.035 11.470 1.00 21.54 H new ATOM 0 HH11 ARG A 65 -1.011 -4.523 14.242 1.00 70.04 H new ATOM 0 HH12 ARG A 65 -2.214 -5.072 15.413 1.00 70.04 H new ATOM 0 HH21 ARG A 65 -4.678 -5.739 12.980 1.00 23.34 H new ATOM 0 HH22 ARG A 65 -4.281 -5.758 14.702 1.00 23.34 H new ATOM 954 N TYR A 66 2.832 -4.900 10.564 1.00 54.31 N ATOM 955 CA TYR A 66 3.593 -5.875 11.336 1.00 75.02 C ATOM 956 C TYR A 66 2.747 -6.456 12.465 1.00 74.24 C ATOM 957 O TYR A 66 2.069 -5.725 13.187 1.00 4.44 O ATOM 958 CB TYR A 66 4.855 -5.230 11.910 1.00 51.42 C ATOM 959 CG TYR A 66 6.089 -5.459 11.067 1.00 22.12 C ATOM 960 CD1 TYR A 66 6.340 -4.683 9.942 1.00 5.35 C ATOM 961 CD2 TYR A 66 7.003 -6.453 11.395 1.00 43.32 C ATOM 962 CE1 TYR A 66 7.466 -4.889 9.169 1.00 25.11 C ATOM 963 CE2 TYR A 66 8.133 -6.665 10.628 1.00 34.21 C ATOM 964 CZ TYR A 66 8.360 -5.881 9.516 1.00 33.13 C ATOM 965 OH TYR A 66 9.483 -6.091 8.749 1.00 13.32 O ATOM 0 H TYR A 66 3.106 -3.930 10.723 1.00 54.31 H new ATOM 0 HA TYR A 66 3.880 -6.686 10.667 1.00 75.02 H new ATOM 0 HB2 TYR A 66 4.690 -4.158 12.014 1.00 51.42 H new ATOM 0 HB3 TYR A 66 5.031 -5.624 12.911 1.00 51.42 H new ATOM 0 HD1 TYR A 66 5.643 -3.905 9.667 1.00 5.35 H new ATOM 0 HD2 TYR A 66 6.827 -7.070 12.264 1.00 43.32 H new ATOM 0 HE1 TYR A 66 7.646 -4.277 8.298 1.00 25.11 H new ATOM 0 HE2 TYR A 66 8.835 -7.440 10.898 1.00 34.21 H new ATOM 0 HH TYR A 66 10.026 -5.275 8.734 1.00 13.32 H new ATOM 975 N ILE A 67 2.792 -7.776 12.609 1.00 33.24 N ATOM 976 CA ILE A 67 2.032 -8.456 13.651 1.00 75.33 C ATOM 977 C ILE A 67 2.934 -9.347 14.498 1.00 44.52 C ATOM 978 O ILE A 67 3.853 -9.996 13.998 1.00 30.31 O ATOM 979 CB ILE A 67 0.900 -9.313 13.053 1.00 53.21 C ATOM 980 CG1 ILE A 67 1.473 -10.574 12.403 1.00 5.23 C ATOM 981 CG2 ILE A 67 0.102 -8.505 12.040 1.00 2.33 C ATOM 982 CD1 ILE A 67 0.428 -11.436 11.731 1.00 63.11 C ATOM 0 H ILE A 67 3.346 -8.396 12.018 1.00 33.24 H new ATOM 0 HA ILE A 67 1.597 -7.680 14.281 1.00 75.33 H new ATOM 0 HB ILE A 67 0.230 -9.614 13.858 1.00 53.21 H new ATOM 0 HG12 ILE A 67 2.222 -10.285 11.666 1.00 5.23 H new ATOM 0 HG13 ILE A 67 1.985 -11.164 13.163 1.00 5.23 H new ATOM 0 HG21 ILE A 67 -0.694 -9.124 11.626 1.00 2.33 H new ATOM 0 HG22 ILE A 67 -0.333 -7.634 12.531 1.00 2.33 H new ATOM 0 HG23 ILE A 67 0.761 -8.177 11.236 1.00 2.33 H new ATOM 0 HD11 ILE A 67 0.906 -12.312 11.292 1.00 63.11 H new ATOM 0 HD12 ILE A 67 -0.309 -11.756 12.468 1.00 63.11 H new ATOM 0 HD13 ILE A 67 -0.068 -10.863 10.948 1.00 63.11 H new ATOM 994 N PRO A 68 2.668 -9.380 15.812 1.00 53.01 N ATOM 995 CA PRO A 68 3.443 -10.189 16.757 1.00 63.13 C ATOM 996 C PRO A 68 3.206 -11.684 16.571 1.00 50.11 C ATOM 997 O PRO A 68 2.066 -12.149 16.593 1.00 25.33 O ATOM 998 CB PRO A 68 2.927 -9.731 18.123 1.00 33.40 C ATOM 999 CG PRO A 68 1.551 -9.225 17.858 1.00 42.54 C ATOM 1000 CD PRO A 68 1.588 -8.631 16.476 1.00 10.05 C ATOM 0 HA PRO A 68 4.516 -10.053 16.625 1.00 63.13 H new ATOM 0 HB2 PRO A 68 2.915 -10.554 18.838 1.00 33.40 H new ATOM 0 HB3 PRO A 68 3.561 -8.951 18.545 1.00 33.40 H new ATOM 0 HG2 PRO A 68 0.820 -10.032 17.917 1.00 42.54 H new ATOM 0 HG3 PRO A 68 1.261 -8.478 18.597 1.00 42.54 H new ATOM 0 HD2 PRO A 68 0.636 -8.755 15.959 1.00 10.05 H new ATOM 0 HD3 PRO A 68 1.798 -7.562 16.504 1.00 10.05 H new ATOM 1008 N VAL A 69 4.289 -12.432 16.388 1.00 63.22 N ATOM 1009 CA VAL A 69 4.199 -13.875 16.200 1.00 72.13 C ATOM 1010 C VAL A 69 5.249 -14.605 17.030 1.00 12.53 C ATOM 1011 O VAL A 69 6.168 -13.987 17.567 1.00 14.03 O ATOM 1012 CB VAL A 69 4.374 -14.260 14.719 1.00 74.14 C ATOM 1013 CG1 VAL A 69 3.361 -13.526 13.853 1.00 44.42 C ATOM 1014 CG2 VAL A 69 5.793 -13.969 14.257 1.00 44.12 C ATOM 0 H VAL A 69 5.239 -12.062 16.366 1.00 63.22 H new ATOM 0 HA VAL A 69 3.205 -14.175 16.532 1.00 72.13 H new ATOM 0 HB VAL A 69 4.196 -15.330 14.616 1.00 74.14 H new ATOM 0 HG11 VAL A 69 3.500 -13.811 12.810 1.00 44.42 H new ATOM 0 HG12 VAL A 69 2.352 -13.790 14.170 1.00 44.42 H new ATOM 0 HG13 VAL A 69 3.504 -12.451 13.958 1.00 44.42 H new ATOM 0 HG21 VAL A 69 5.898 -14.247 13.208 1.00 44.12 H new ATOM 0 HG22 VAL A 69 6.003 -12.906 14.373 1.00 44.12 H new ATOM 0 HG23 VAL A 69 6.497 -14.545 14.858 1.00 44.12 H new ATOM 1024 N GLU A 70 5.105 -15.922 17.131 1.00 64.34 N ATOM 1025 CA GLU A 70 6.042 -16.736 17.897 1.00 42.23 C ATOM 1026 C GLU A 70 6.435 -17.990 17.121 1.00 41.45 C ATOM 1027 O GLU A 70 5.612 -18.878 16.898 1.00 53.15 O ATOM 1028 CB GLU A 70 5.430 -17.127 19.243 1.00 34.31 C ATOM 1029 CG GLU A 70 6.288 -18.091 20.045 1.00 73.41 C ATOM 1030 CD GLU A 70 5.599 -18.575 21.306 1.00 75.41 C ATOM 1031 OE1 GLU A 70 4.970 -17.745 21.995 1.00 22.33 O ATOM 1032 OE2 GLU A 70 5.688 -19.785 21.603 1.00 73.31 O ATOM 0 H GLU A 70 4.349 -16.448 16.693 1.00 64.34 H new ATOM 0 HA GLU A 70 6.939 -16.143 18.073 1.00 42.23 H new ATOM 0 HB2 GLU A 70 5.264 -16.225 19.832 1.00 34.31 H new ATOM 0 HB3 GLU A 70 4.454 -17.580 19.071 1.00 34.31 H new ATOM 0 HG2 GLU A 70 6.543 -18.949 19.423 1.00 73.41 H new ATOM 0 HG3 GLU A 70 7.225 -17.602 20.312 1.00 73.41 H new ATOM 1039 N CYS A 71 7.697 -18.054 16.712 1.00 43.54 N ATOM 1040 CA CYS A 71 8.200 -19.197 15.959 1.00 61.31 C ATOM 1041 C CYS A 71 9.415 -19.810 16.648 1.00 42.13 C ATOM 1042 O CYS A 71 10.092 -19.150 17.436 1.00 53.25 O ATOM 1043 CB CYS A 71 8.564 -18.777 14.534 1.00 4.54 C ATOM 1044 SG CYS A 71 9.438 -17.197 14.432 1.00 3.11 S ATOM 0 H CYS A 71 8.391 -17.328 16.889 1.00 43.54 H new ATOM 0 HA CYS A 71 7.411 -19.948 15.917 1.00 61.31 H new ATOM 0 HB2 CYS A 71 9.184 -19.553 14.085 1.00 4.54 H new ATOM 0 HB3 CYS A 71 7.652 -18.715 13.941 1.00 4.54 H new ATOM 0 HG CYS A 71 9.434 -16.777 13.202 1.00 3.11 H new ATOM 1050 N GLU A 72 9.684 -21.076 16.346 1.00 63.31 N ATOM 1051 CA GLU A 72 10.817 -21.778 16.939 1.00 73.13 C ATOM 1052 C GLU A 72 11.891 -22.058 15.892 1.00 24.43 C ATOM 1053 O GLU A 72 11.614 -22.638 14.843 1.00 64.32 O ATOM 1054 CB GLU A 72 10.355 -23.090 17.576 1.00 61.42 C ATOM 1055 CG GLU A 72 9.390 -23.882 16.709 1.00 43.33 C ATOM 1056 CD GLU A 72 8.881 -25.134 17.396 1.00 42.03 C ATOM 1057 OE1 GLU A 72 8.867 -25.161 18.644 1.00 0.13 O ATOM 1058 OE2 GLU A 72 8.497 -26.087 16.686 1.00 44.45 O ATOM 0 H GLU A 72 9.134 -21.636 15.695 1.00 63.31 H new ATOM 0 HA GLU A 72 11.245 -21.139 17.711 1.00 73.13 H new ATOM 0 HB2 GLU A 72 11.228 -23.707 17.790 1.00 61.42 H new ATOM 0 HB3 GLU A 72 9.877 -22.872 18.531 1.00 61.42 H new ATOM 0 HG2 GLU A 72 8.544 -23.249 16.442 1.00 43.33 H new ATOM 0 HG3 GLU A 72 9.886 -24.159 15.779 1.00 43.33 H new ATOM 1065 N ALA A 73 13.119 -21.642 16.187 1.00 55.44 N ATOM 1066 CA ALA A 73 14.235 -21.849 15.273 1.00 42.50 C ATOM 1067 C ALA A 73 14.844 -23.235 15.455 1.00 0.32 C ATOM 1068 O ALA A 73 15.093 -23.671 16.579 1.00 23.53 O ATOM 1069 CB ALA A 73 15.293 -20.774 15.480 1.00 34.20 C ATOM 0 H ALA A 73 13.365 -21.160 17.052 1.00 55.44 H new ATOM 0 HA ALA A 73 13.856 -21.779 14.254 1.00 42.50 H new ATOM 0 HB1 ALA A 73 16.121 -20.941 14.791 1.00 34.20 H new ATOM 0 HB2 ALA A 73 14.857 -19.793 15.292 1.00 34.20 H new ATOM 0 HB3 ALA A 73 15.660 -20.817 16.505 1.00 34.20 H new ATOM 1075 N HIS A 74 15.081 -23.923 14.343 1.00 74.01 N ATOM 1076 CA HIS A 74 15.660 -25.261 14.380 1.00 5.15 C ATOM 1077 C HIS A 74 16.833 -25.372 13.411 1.00 23.10 C ATOM 1078 O HIS A 74 16.712 -25.034 12.233 1.00 20.24 O ATOM 1079 CB HIS A 74 14.601 -26.309 14.039 1.00 14.24 C ATOM 1080 CG HIS A 74 13.372 -26.217 14.891 1.00 20.31 C ATOM 1081 ND1 HIS A 74 13.407 -25.886 16.229 1.00 32.12 N ATOM 1082 CD2 HIS A 74 12.068 -26.414 14.588 1.00 73.44 C ATOM 1083 CE1 HIS A 74 12.177 -25.885 16.712 1.00 23.03 C ATOM 1084 NE2 HIS A 74 11.346 -26.202 15.736 1.00 32.03 N ATOM 0 H HIS A 74 14.881 -23.576 13.405 1.00 74.01 H new ATOM 0 HA HIS A 74 16.027 -25.443 15.390 1.00 5.15 H new ATOM 0 HB2 HIS A 74 14.317 -26.199 12.992 1.00 14.24 H new ATOM 0 HB3 HIS A 74 15.036 -27.302 14.149 1.00 14.24 H new ATOM 0 HD1 HIS A 74 14.250 -25.675 16.763 1.00 32.12 H new ATOM 0 HD2 HIS A 74 11.669 -26.687 13.622 1.00 73.44 H new ATOM 0 HE1 HIS A 74 11.899 -25.663 17.732 1.00 23.03 H new ATOM 1092 N ASP A 75 17.967 -25.847 13.914 1.00 4.22 N ATOM 1093 CA ASP A 75 19.162 -26.003 13.093 1.00 42.22 C ATOM 1094 C ASP A 75 18.839 -26.745 11.800 1.00 45.14 C ATOM 1095 O ASP A 75 19.444 -26.489 10.758 1.00 13.52 O ATOM 1096 CB ASP A 75 20.246 -26.753 13.869 1.00 42.53 C ATOM 1097 CG ASP A 75 20.689 -26.007 15.112 1.00 0.40 C ATOM 1098 OD1 ASP A 75 20.685 -24.758 15.088 1.00 3.20 O ATOM 1099 OD2 ASP A 75 21.038 -26.672 16.109 1.00 4.54 O ATOM 0 H ASP A 75 18.084 -26.131 14.887 1.00 4.22 H new ATOM 0 HA ASP A 75 19.531 -25.009 12.839 1.00 42.22 H new ATOM 0 HB2 ASP A 75 19.871 -27.736 14.153 1.00 42.53 H new ATOM 0 HB3 ASP A 75 21.107 -26.915 13.220 1.00 42.53 H new ATOM 1104 N TRP A 76 17.885 -27.665 11.874 1.00 21.44 N ATOM 1105 CA TRP A 76 17.483 -28.446 10.710 1.00 41.34 C ATOM 1106 C TRP A 76 16.288 -29.334 11.036 1.00 70.52 C ATOM 1107 O TRP A 76 16.236 -29.955 12.098 1.00 74.00 O ATOM 1108 CB TRP A 76 18.651 -29.301 10.216 1.00 72.25 C ATOM 1109 CG TRP A 76 18.949 -30.470 11.105 1.00 2.23 C ATOM 1110 CD1 TRP A 76 18.328 -31.686 11.097 1.00 61.12 C ATOM 1111 CD2 TRP A 76 19.942 -30.531 12.135 1.00 31.22 C ATOM 1112 NE1 TRP A 76 18.875 -32.500 12.059 1.00 11.15 N ATOM 1113 CE2 TRP A 76 19.867 -31.815 12.710 1.00 63.34 C ATOM 1114 CE3 TRP A 76 20.888 -29.628 12.627 1.00 53.43 C ATOM 1115 CZ2 TRP A 76 20.702 -32.215 13.750 1.00 12.52 C ATOM 1116 CZ3 TRP A 76 21.715 -30.025 13.660 1.00 70.24 C ATOM 1117 CH2 TRP A 76 21.618 -31.309 14.212 1.00 65.41 C ATOM 0 H TRP A 76 17.375 -27.889 12.728 1.00 21.44 H new ATOM 0 HA TRP A 76 17.191 -27.752 9.921 1.00 41.34 H new ATOM 0 HB2 TRP A 76 18.427 -29.664 9.213 1.00 72.25 H new ATOM 0 HB3 TRP A 76 19.541 -28.677 10.138 1.00 72.25 H new ATOM 0 HD1 TRP A 76 17.525 -31.967 10.432 1.00 61.12 H new ATOM 0 HE1 TRP A 76 18.589 -33.459 12.257 1.00 11.15 H new ATOM 0 HE3 TRP A 76 20.971 -28.637 12.207 1.00 53.43 H new ATOM 0 HZ2 TRP A 76 20.629 -33.204 14.177 1.00 12.52 H new ATOM 0 HZ3 TRP A 76 22.449 -29.334 14.048 1.00 70.24 H new ATOM 0 HH2 TRP A 76 22.279 -31.590 15.018 1.00 65.41 H new ATOM 1128 N TYR A 77 15.331 -29.392 10.117 1.00 54.41 N ATOM 1129 CA TYR A 77 14.135 -30.203 10.309 1.00 74.43 C ATOM 1130 C TYR A 77 13.747 -30.917 9.017 1.00 45.32 C ATOM 1131 O TYR A 77 14.036 -30.456 7.912 1.00 4.13 O ATOM 1132 CB TYR A 77 12.973 -29.332 10.791 1.00 25.31 C ATOM 1133 CG TYR A 77 12.625 -29.541 12.248 1.00 53.45 C ATOM 1134 CD1 TYR A 77 13.526 -29.211 13.252 1.00 44.40 C ATOM 1135 CD2 TYR A 77 11.394 -30.068 12.619 1.00 24.13 C ATOM 1136 CE1 TYR A 77 13.213 -29.400 14.584 1.00 54.30 C ATOM 1137 CE2 TYR A 77 11.071 -30.259 13.949 1.00 64.33 C ATOM 1138 CZ TYR A 77 11.984 -29.924 14.927 1.00 12.23 C ATOM 1139 OH TYR A 77 11.666 -30.114 16.253 1.00 44.03 O ATOM 0 H TYR A 77 15.360 -28.887 9.231 1.00 54.41 H new ATOM 0 HA TYR A 77 14.356 -30.955 11.067 1.00 74.43 H new ATOM 0 HB2 TYR A 77 13.226 -28.284 10.633 1.00 25.31 H new ATOM 0 HB3 TYR A 77 12.094 -29.543 10.182 1.00 25.31 H new ATOM 0 HD1 TYR A 77 14.489 -28.799 12.987 1.00 44.40 H new ATOM 0 HD2 TYR A 77 10.678 -30.333 11.855 1.00 24.13 H new ATOM 0 HE1 TYR A 77 13.926 -29.139 15.352 1.00 54.30 H new ATOM 0 HE2 TYR A 77 10.109 -30.668 14.221 1.00 64.33 H new ATOM 0 HH TYR A 77 10.763 -30.489 16.322 1.00 44.03 H new ATOM 1149 N PRO A 78 13.076 -32.070 9.157 1.00 4.51 N ATOM 1150 CA PRO A 78 12.633 -32.872 8.013 1.00 2.20 C ATOM 1151 C PRO A 78 11.509 -32.198 7.234 1.00 73.53 C ATOM 1152 O PRO A 78 10.526 -31.738 7.815 1.00 3.51 O ATOM 1153 CB PRO A 78 12.135 -34.167 8.660 1.00 51.34 C ATOM 1154 CG PRO A 78 11.750 -33.775 10.044 1.00 14.23 C ATOM 1155 CD PRO A 78 12.698 -32.678 10.443 1.00 20.44 C ATOM 0 HA PRO A 78 13.431 -33.023 7.286 1.00 2.20 H new ATOM 0 HB2 PRO A 78 11.286 -34.581 8.115 1.00 51.34 H new ATOM 0 HB3 PRO A 78 12.913 -34.931 8.667 1.00 51.34 H new ATOM 0 HG2 PRO A 78 10.717 -33.429 10.078 1.00 14.23 H new ATOM 0 HG3 PRO A 78 11.826 -34.623 10.725 1.00 14.23 H new ATOM 0 HD2 PRO A 78 12.221 -31.955 11.104 1.00 20.44 H new ATOM 0 HD3 PRO A 78 13.566 -33.070 10.973 1.00 20.44 H new ATOM 1163 N VAL A 79 11.659 -32.145 5.914 1.00 72.30 N ATOM 1164 CA VAL A 79 10.655 -31.530 5.055 1.00 52.45 C ATOM 1165 C VAL A 79 10.131 -32.522 4.023 1.00 61.32 C ATOM 1166 O VAL A 79 10.750 -32.733 2.980 1.00 12.52 O ATOM 1167 CB VAL A 79 11.221 -30.297 4.324 1.00 33.31 C ATOM 1168 CG1 VAL A 79 12.616 -30.586 3.793 1.00 45.24 C ATOM 1169 CG2 VAL A 79 10.290 -29.872 3.199 1.00 41.35 C ATOM 0 H VAL A 79 12.466 -32.521 5.417 1.00 72.30 H new ATOM 0 HA VAL A 79 9.835 -31.216 5.702 1.00 52.45 H new ATOM 0 HB VAL A 79 11.293 -29.474 5.035 1.00 33.31 H new ATOM 0 HG11 VAL A 79 13.000 -29.704 3.280 1.00 45.24 H new ATOM 0 HG12 VAL A 79 13.276 -30.839 4.623 1.00 45.24 H new ATOM 0 HG13 VAL A 79 12.574 -31.422 3.095 1.00 45.24 H new ATOM 0 HG21 VAL A 79 10.705 -29.000 2.693 1.00 41.35 H new ATOM 0 HG22 VAL A 79 10.185 -30.689 2.486 1.00 41.35 H new ATOM 0 HG23 VAL A 79 9.312 -29.622 3.611 1.00 41.35 H new ATOM 1179 N GLU A 80 8.987 -33.130 4.321 1.00 12.44 N ATOM 1180 CA GLU A 80 8.380 -34.101 3.419 1.00 42.02 C ATOM 1181 C GLU A 80 8.193 -33.506 2.026 1.00 71.51 C ATOM 1182 O GLU A 80 7.992 -32.302 1.876 1.00 2.35 O ATOM 1183 CB GLU A 80 7.032 -34.570 3.970 1.00 23.43 C ATOM 1184 CG GLU A 80 7.094 -35.031 5.417 1.00 71.52 C ATOM 1185 CD GLU A 80 6.160 -36.192 5.699 1.00 33.05 C ATOM 1186 OE1 GLU A 80 6.076 -37.106 4.852 1.00 44.40 O ATOM 1187 OE2 GLU A 80 5.512 -36.187 6.767 1.00 2.21 O ATOM 0 H GLU A 80 8.462 -32.967 5.180 1.00 12.44 H new ATOM 0 HA GLU A 80 9.051 -34.957 3.343 1.00 42.02 H new ATOM 0 HB2 GLU A 80 6.312 -33.756 3.887 1.00 23.43 H new ATOM 0 HB3 GLU A 80 6.661 -35.388 3.352 1.00 23.43 H new ATOM 0 HG2 GLU A 80 8.116 -35.325 5.658 1.00 71.52 H new ATOM 0 HG3 GLU A 80 6.839 -34.197 6.071 1.00 71.52 H new ATOM 1194 N GLU A 81 8.261 -34.361 1.010 1.00 71.30 N ATOM 1195 CA GLU A 81 8.100 -33.920 -0.371 1.00 23.24 C ATOM 1196 C GLU A 81 6.852 -33.057 -0.524 1.00 54.31 C ATOM 1197 O GLU A 81 5.727 -33.559 -0.499 1.00 65.22 O ATOM 1198 CB GLU A 81 8.018 -35.126 -1.308 1.00 61.44 C ATOM 1199 CG GLU A 81 7.100 -36.227 -0.805 1.00 31.41 C ATOM 1200 CD GLU A 81 6.342 -36.913 -1.925 1.00 63.13 C ATOM 1201 OE1 GLU A 81 5.542 -36.234 -2.602 1.00 42.32 O ATOM 1202 OE2 GLU A 81 6.549 -38.128 -2.125 1.00 70.22 O ATOM 0 H GLU A 81 8.426 -35.362 1.117 1.00 71.30 H new ATOM 0 HA GLU A 81 8.970 -33.320 -0.638 1.00 23.24 H new ATOM 0 HB2 GLU A 81 7.670 -34.793 -2.286 1.00 61.44 H new ATOM 0 HB3 GLU A 81 9.019 -35.535 -1.448 1.00 61.44 H new ATOM 0 HG2 GLU A 81 7.689 -36.967 -0.264 1.00 31.41 H new ATOM 0 HG3 GLU A 81 6.388 -35.805 -0.095 1.00 31.41 H new ATOM 1209 N THR A 82 7.057 -31.753 -0.683 1.00 14.35 N ATOM 1210 CA THR A 82 5.949 -30.818 -0.838 1.00 62.23 C ATOM 1211 C THR A 82 6.456 -29.403 -1.094 1.00 75.33 C ATOM 1212 O THR A 82 7.661 -29.174 -1.187 1.00 50.24 O ATOM 1213 CB THR A 82 5.042 -30.809 0.407 1.00 63.22 C ATOM 1214 OG1 THR A 82 3.821 -30.120 0.118 1.00 33.21 O ATOM 1215 CG2 THR A 82 5.742 -30.141 1.581 1.00 31.40 C ATOM 0 H THR A 82 7.980 -31.320 -0.708 1.00 14.35 H new ATOM 0 HA THR A 82 5.369 -31.155 -1.697 1.00 62.23 H new ATOM 0 HB THR A 82 4.821 -31.842 0.676 1.00 63.22 H new ATOM 0 HG1 THR A 82 3.249 -30.120 0.914 1.00 33.21 H new ATOM 0 HG21 THR A 82 5.082 -30.146 2.449 1.00 31.40 H new ATOM 0 HG22 THR A 82 6.656 -30.685 1.817 1.00 31.40 H new ATOM 0 HG23 THR A 82 5.989 -29.112 1.320 1.00 31.40 H new ATOM 1223 N GLN A 83 5.527 -28.459 -1.206 1.00 42.25 N ATOM 1224 CA GLN A 83 5.881 -27.066 -1.452 1.00 2.32 C ATOM 1225 C GLN A 83 6.475 -26.892 -2.846 1.00 23.42 C ATOM 1226 O GLN A 83 5.803 -26.423 -3.764 1.00 12.30 O ATOM 1227 CB GLN A 83 6.875 -26.577 -0.397 1.00 12.43 C ATOM 1228 CG GLN A 83 6.291 -25.549 0.559 1.00 54.31 C ATOM 1229 CD GLN A 83 5.713 -24.345 -0.160 1.00 64.30 C ATOM 1230 OE1 GLN A 83 4.509 -24.273 -0.404 1.00 53.35 O ATOM 1231 NE2 GLN A 83 6.572 -23.392 -0.503 1.00 20.20 N ATOM 0 H GLN A 83 4.525 -28.633 -1.130 1.00 42.25 H new ATOM 0 HA GLN A 83 4.971 -26.470 -1.388 1.00 2.32 H new ATOM 0 HB2 GLN A 83 7.233 -27.432 0.176 1.00 12.43 H new ATOM 0 HB3 GLN A 83 7.741 -26.144 -0.898 1.00 12.43 H new ATOM 0 HG2 GLN A 83 5.511 -26.018 1.159 1.00 54.31 H new ATOM 0 HG3 GLN A 83 7.067 -25.217 1.249 1.00 54.31 H new ATOM 0 HE21 GLN A 83 7.562 -23.494 -0.280 1.00 20.20 H new ATOM 0 HE22 GLN A 83 6.242 -22.558 -0.989 1.00 20.20 H new ATOM 1240 N TYR A 84 7.739 -27.274 -2.997 1.00 34.15 N ATOM 1241 CA TYR A 84 8.424 -27.158 -4.278 1.00 63.21 C ATOM 1242 C TYR A 84 9.690 -28.010 -4.298 1.00 75.50 C ATOM 1243 O TYR A 84 10.618 -27.745 -5.061 1.00 64.45 O ATOM 1244 CB TYR A 84 8.776 -25.697 -4.562 1.00 12.21 C ATOM 1245 CG TYR A 84 8.100 -25.140 -5.794 1.00 50.24 C ATOM 1246 CD1 TYR A 84 8.502 -25.527 -7.067 1.00 4.14 C ATOM 1247 CD2 TYR A 84 7.058 -24.227 -5.686 1.00 50.14 C ATOM 1248 CE1 TYR A 84 7.888 -25.020 -8.195 1.00 42.12 C ATOM 1249 CE2 TYR A 84 6.437 -23.716 -6.810 1.00 11.34 C ATOM 1250 CZ TYR A 84 6.856 -24.115 -8.062 1.00 11.13 C ATOM 1251 OH TYR A 84 6.241 -23.609 -9.184 1.00 15.55 O ATOM 0 H TYR A 84 8.309 -27.666 -2.248 1.00 34.15 H new ATOM 0 HA TYR A 84 7.751 -27.520 -5.055 1.00 63.21 H new ATOM 0 HB2 TYR A 84 8.498 -25.091 -3.700 1.00 12.21 H new ATOM 0 HB3 TYR A 84 9.856 -25.608 -4.679 1.00 12.21 H new ATOM 0 HD1 TYR A 84 9.309 -26.237 -7.176 1.00 4.14 H new ATOM 0 HD2 TYR A 84 6.728 -23.911 -4.707 1.00 50.14 H new ATOM 0 HE1 TYR A 84 8.214 -25.331 -9.177 1.00 42.12 H new ATOM 0 HE2 TYR A 84 5.628 -23.008 -6.708 1.00 11.34 H new ATOM 0 HH TYR A 84 5.534 -22.986 -8.916 1.00 15.55 H new ATOM 1261 N TYR A 85 9.718 -29.035 -3.454 1.00 34.44 N ATOM 1262 CA TYR A 85 10.869 -29.927 -3.372 1.00 15.24 C ATOM 1263 C TYR A 85 10.493 -31.240 -2.691 1.00 43.21 C ATOM 1264 O TYR A 85 9.592 -31.300 -1.855 1.00 12.03 O ATOM 1265 CB TYR A 85 12.010 -29.252 -2.608 1.00 55.14 C ATOM 1266 CG TYR A 85 12.900 -28.397 -3.482 1.00 30.31 C ATOM 1267 CD1 TYR A 85 13.439 -28.900 -4.660 1.00 51.31 C ATOM 1268 CD2 TYR A 85 13.203 -27.088 -3.129 1.00 23.31 C ATOM 1269 CE1 TYR A 85 14.254 -28.123 -5.461 1.00 74.01 C ATOM 1270 CE2 TYR A 85 14.016 -26.304 -3.924 1.00 53.15 C ATOM 1271 CZ TYR A 85 14.539 -26.826 -5.089 1.00 54.33 C ATOM 1272 OH TYR A 85 15.350 -26.048 -5.884 1.00 15.03 O ATOM 0 H TYR A 85 8.957 -29.269 -2.817 1.00 34.44 H new ATOM 0 HA TYR A 85 11.200 -30.147 -4.387 1.00 15.24 H new ATOM 0 HB2 TYR A 85 11.589 -28.633 -1.816 1.00 55.14 H new ATOM 0 HB3 TYR A 85 12.617 -30.018 -2.125 1.00 55.14 H new ATOM 0 HD1 TYR A 85 13.217 -29.915 -4.954 1.00 51.31 H new ATOM 0 HD2 TYR A 85 12.796 -26.676 -2.217 1.00 23.31 H new ATOM 0 HE1 TYR A 85 14.665 -28.529 -6.373 1.00 74.01 H new ATOM 0 HE2 TYR A 85 14.241 -25.288 -3.635 1.00 53.15 H new ATOM 0 HH TYR A 85 15.450 -25.161 -5.480 1.00 15.03 H new ATOM 1282 N PRO A 86 11.202 -32.318 -3.057 1.00 71.22 N ATOM 1283 CA PRO A 86 10.963 -33.651 -2.494 1.00 44.53 C ATOM 1284 C PRO A 86 11.387 -33.747 -1.033 1.00 2.23 C ATOM 1285 O PRO A 86 11.682 -32.737 -0.393 1.00 43.01 O ATOM 1286 CB PRO A 86 11.831 -34.564 -3.364 1.00 3.40 C ATOM 1287 CG PRO A 86 12.913 -33.679 -3.881 1.00 14.44 C ATOM 1288 CD PRO A 86 12.291 -32.320 -4.048 1.00 50.33 C ATOM 0 HA PRO A 86 9.905 -33.913 -2.501 1.00 44.53 H new ATOM 0 HB2 PRO A 86 12.240 -35.392 -2.784 1.00 3.40 H new ATOM 0 HB3 PRO A 86 11.253 -35.000 -4.179 1.00 3.40 H new ATOM 0 HG2 PRO A 86 13.752 -33.642 -3.186 1.00 14.44 H new ATOM 0 HG3 PRO A 86 13.301 -34.050 -4.830 1.00 14.44 H new ATOM 0 HD2 PRO A 86 13.010 -31.523 -3.857 1.00 50.33 H new ATOM 0 HD3 PRO A 86 11.914 -32.173 -5.060 1.00 50.33 H new ATOM 1296 N LYS A 87 11.416 -34.968 -0.509 1.00 51.40 N ATOM 1297 CA LYS A 87 11.805 -35.197 0.877 1.00 25.02 C ATOM 1298 C LYS A 87 13.264 -34.813 1.103 1.00 1.42 C ATOM 1299 O LYS A 87 14.142 -35.182 0.323 1.00 61.41 O ATOM 1300 CB LYS A 87 11.590 -36.665 1.253 1.00 53.21 C ATOM 1301 CG LYS A 87 10.763 -36.855 2.513 1.00 43.00 C ATOM 1302 CD LYS A 87 11.353 -36.092 3.687 1.00 24.22 C ATOM 1303 CE LYS A 87 10.553 -36.322 4.960 1.00 53.41 C ATOM 1304 NZ LYS A 87 11.099 -37.451 5.763 1.00 55.14 N ATOM 0 H LYS A 87 11.174 -35.815 -1.024 1.00 51.40 H new ATOM 0 HA LYS A 87 11.179 -34.570 1.512 1.00 25.02 H new ATOM 0 HB2 LYS A 87 11.098 -37.175 0.425 1.00 53.21 H new ATOM 0 HB3 LYS A 87 12.560 -37.142 1.390 1.00 53.21 H new ATOM 0 HG2 LYS A 87 9.742 -36.517 2.334 1.00 43.00 H new ATOM 0 HG3 LYS A 87 10.709 -37.916 2.757 1.00 43.00 H new ATOM 0 HD2 LYS A 87 12.385 -36.404 3.843 1.00 24.22 H new ATOM 0 HD3 LYS A 87 11.374 -35.027 3.457 1.00 24.22 H new ATOM 0 HE2 LYS A 87 10.558 -35.413 5.561 1.00 53.41 H new ATOM 0 HE3 LYS A 87 9.514 -36.528 4.703 1.00 53.41 H new ATOM 0 HZ1 LYS A 87 10.526 -37.575 6.622 1.00 55.14 H new ATOM 0 HZ2 LYS A 87 11.070 -38.324 5.199 1.00 55.14 H new ATOM 0 HZ3 LYS A 87 12.082 -37.243 6.030 1.00 55.14 H new ATOM 1318 N HIS A 88 13.516 -34.069 2.176 1.00 22.52 N ATOM 1319 CA HIS A 88 14.870 -33.637 2.506 1.00 53.12 C ATOM 1320 C HIS A 88 14.906 -32.962 3.874 1.00 43.04 C ATOM 1321 O HIS A 88 13.940 -33.026 4.634 1.00 53.22 O ATOM 1322 CB HIS A 88 15.396 -32.679 1.437 1.00 11.40 C ATOM 1323 CG HIS A 88 16.797 -32.979 1.000 1.00 33.24 C ATOM 1324 ND1 HIS A 88 17.248 -34.257 0.747 1.00 61.14 N ATOM 1325 CD2 HIS A 88 17.848 -32.158 0.771 1.00 21.03 C ATOM 1326 CE1 HIS A 88 18.517 -34.209 0.382 1.00 71.32 C ATOM 1327 NE2 HIS A 88 18.905 -32.947 0.388 1.00 11.33 N ATOM 0 H HIS A 88 12.801 -33.753 2.831 1.00 22.52 H new ATOM 0 HA HIS A 88 15.509 -34.519 2.539 1.00 53.12 H new ATOM 0 HB2 HIS A 88 14.737 -32.719 0.569 1.00 11.40 H new ATOM 0 HB3 HIS A 88 15.355 -31.660 1.822 1.00 11.40 H new ATOM 0 HD2 HIS A 88 17.854 -31.083 0.871 1.00 21.03 H new ATOM 0 HE1 HIS A 88 19.132 -35.058 0.123 1.00 71.32 H new ATOM 0 HE2 HIS A 88 19.838 -32.612 0.147 1.00 11.33 H new ATOM 1335 N ILE A 89 16.027 -32.317 4.180 1.00 70.21 N ATOM 1336 CA ILE A 89 16.189 -31.631 5.456 1.00 55.24 C ATOM 1337 C ILE A 89 16.438 -30.141 5.250 1.00 3.43 C ATOM 1338 O ILE A 89 17.187 -29.745 4.357 1.00 14.42 O ATOM 1339 CB ILE A 89 17.350 -32.227 6.272 1.00 2.24 C ATOM 1340 CG1 ILE A 89 17.103 -33.712 6.544 1.00 75.25 C ATOM 1341 CG2 ILE A 89 17.524 -31.466 7.579 1.00 63.35 C ATOM 1342 CD1 ILE A 89 15.893 -33.974 7.413 1.00 75.23 C ATOM 0 H ILE A 89 16.836 -32.255 3.562 1.00 70.21 H new ATOM 0 HA ILE A 89 15.260 -31.769 6.009 1.00 55.24 H new ATOM 0 HB ILE A 89 18.268 -32.131 5.692 1.00 2.24 H new ATOM 0 HG12 ILE A 89 16.977 -34.231 5.594 1.00 75.25 H new ATOM 0 HG13 ILE A 89 17.984 -34.137 7.025 1.00 75.25 H new ATOM 0 HG21 ILE A 89 18.349 -31.899 8.145 1.00 63.35 H new ATOM 0 HG22 ILE A 89 17.741 -30.420 7.365 1.00 63.35 H new ATOM 0 HG23 ILE A 89 16.607 -31.534 8.164 1.00 63.35 H new ATOM 0 HD11 ILE A 89 15.779 -35.047 7.564 1.00 75.23 H new ATOM 0 HD12 ILE A 89 16.025 -33.484 8.378 1.00 75.23 H new ATOM 0 HD13 ILE A 89 15.002 -33.580 6.924 1.00 75.23 H new ATOM 1354 N GLN A 90 15.808 -29.320 6.084 1.00 32.15 N ATOM 1355 CA GLN A 90 15.963 -27.873 5.995 1.00 71.03 C ATOM 1356 C GLN A 90 17.010 -27.375 6.985 1.00 23.44 C ATOM 1357 O GLN A 90 17.605 -28.162 7.723 1.00 42.15 O ATOM 1358 CB GLN A 90 14.625 -27.178 6.256 1.00 25.34 C ATOM 1359 CG GLN A 90 13.447 -27.847 5.567 1.00 63.12 C ATOM 1360 CD GLN A 90 12.267 -26.912 5.391 1.00 72.53 C ATOM 1361 OE1 GLN A 90 12.312 -25.982 4.586 1.00 53.23 O ATOM 1362 NE2 GLN A 90 11.201 -27.156 6.145 1.00 42.23 N ATOM 0 H GLN A 90 15.185 -29.632 6.829 1.00 32.15 H new ATOM 0 HA GLN A 90 16.299 -27.631 4.987 1.00 71.03 H new ATOM 0 HB2 GLN A 90 14.441 -27.154 7.330 1.00 25.34 H new ATOM 0 HB3 GLN A 90 14.691 -26.143 5.921 1.00 25.34 H new ATOM 0 HG2 GLN A 90 13.763 -28.215 4.591 1.00 63.12 H new ATOM 0 HG3 GLN A 90 13.135 -28.714 6.149 1.00 63.12 H new ATOM 0 HE21 GLN A 90 11.207 -27.938 6.799 1.00 42.23 H new ATOM 0 HE22 GLN A 90 10.376 -26.561 6.070 1.00 42.23 H new ATOM 1371 N TYR A 91 17.231 -26.066 6.997 1.00 50.40 N ATOM 1372 CA TYR A 91 18.209 -25.463 7.895 1.00 32.22 C ATOM 1373 C TYR A 91 17.809 -24.036 8.258 1.00 33.43 C ATOM 1374 O TYR A 91 17.353 -23.272 7.408 1.00 25.44 O ATOM 1375 CB TYR A 91 19.596 -25.467 7.250 1.00 73.30 C ATOM 1376 CG TYR A 91 20.339 -26.773 7.420 1.00 74.25 C ATOM 1377 CD1 TYR A 91 20.190 -27.804 6.500 1.00 73.13 C ATOM 1378 CD2 TYR A 91 21.188 -26.977 8.500 1.00 43.14 C ATOM 1379 CE1 TYR A 91 20.866 -28.999 6.651 1.00 72.33 C ATOM 1380 CE2 TYR A 91 21.870 -28.168 8.658 1.00 75.21 C ATOM 1381 CZ TYR A 91 21.705 -29.176 7.731 1.00 31.31 C ATOM 1382 OH TYR A 91 22.381 -30.365 7.886 1.00 74.01 O ATOM 0 H TYR A 91 16.746 -25.401 6.395 1.00 50.40 H new ATOM 0 HA TYR A 91 18.239 -26.056 8.809 1.00 32.22 H new ATOM 0 HB2 TYR A 91 19.493 -25.253 6.186 1.00 73.30 H new ATOM 0 HB3 TYR A 91 20.190 -24.662 7.681 1.00 73.30 H new ATOM 0 HD1 TYR A 91 19.534 -27.668 5.653 1.00 73.13 H new ATOM 0 HD2 TYR A 91 21.317 -26.191 9.229 1.00 43.14 H new ATOM 0 HE1 TYR A 91 20.738 -29.790 5.927 1.00 72.33 H new ATOM 0 HE2 TYR A 91 22.528 -28.309 9.502 1.00 75.21 H new ATOM 0 HH TYR A 91 22.930 -30.326 8.697 1.00 74.01 H new ATOM 1392 N ASN A 92 17.983 -23.685 9.528 1.00 2.02 N ATOM 1393 CA ASN A 92 17.641 -22.350 10.006 1.00 71.13 C ATOM 1394 C ASN A 92 16.172 -22.037 9.740 1.00 75.43 C ATOM 1395 O ASN A 92 15.829 -20.942 9.293 1.00 5.52 O ATOM 1396 CB ASN A 92 18.527 -21.301 9.331 1.00 64.52 C ATOM 1397 CG ASN A 92 19.871 -21.865 8.909 1.00 75.03 C ATOM 1398 OD1 ASN A 92 20.159 -21.985 7.718 1.00 63.01 O ATOM 1399 ND2 ASN A 92 20.699 -22.214 9.886 1.00 70.30 N ATOM 0 H ASN A 92 18.359 -24.306 10.245 1.00 2.02 H new ATOM 0 HA ASN A 92 17.812 -22.322 11.082 1.00 71.13 H new ATOM 0 HB2 ASN A 92 18.012 -20.903 8.457 1.00 64.52 H new ATOM 0 HB3 ASN A 92 18.684 -20.467 10.015 1.00 64.52 H new ATOM 0 HD21 ASN A 92 21.617 -22.600 9.663 1.00 70.30 H new ATOM 0 HD22 ASN A 92 20.418 -22.097 10.859 1.00 70.30 H new ATOM 1406 N LEU A 93 15.307 -23.007 10.017 1.00 14.31 N ATOM 1407 CA LEU A 93 13.873 -22.836 9.809 1.00 51.42 C ATOM 1408 C LEU A 93 13.193 -22.338 11.081 1.00 64.43 C ATOM 1409 O LEU A 93 13.500 -22.798 12.182 1.00 43.44 O ATOM 1410 CB LEU A 93 13.241 -24.155 9.362 1.00 24.20 C ATOM 1411 CG LEU A 93 13.241 -24.423 7.857 1.00 61.54 C ATOM 1412 CD1 LEU A 93 12.041 -23.762 7.197 1.00 70.42 C ATOM 1413 CD2 LEU A 93 14.536 -23.932 7.227 1.00 3.31 C ATOM 0 H LEU A 93 15.574 -23.920 10.386 1.00 14.31 H new ATOM 0 HA LEU A 93 13.731 -22.089 9.028 1.00 51.42 H new ATOM 0 HB2 LEU A 93 13.766 -24.972 9.856 1.00 24.20 H new ATOM 0 HB3 LEU A 93 12.210 -24.179 9.715 1.00 24.20 H new ATOM 0 HG LEU A 93 13.169 -25.499 7.700 1.00 61.54 H new ATOM 0 HD11 LEU A 93 12.058 -23.964 6.126 1.00 70.42 H new ATOM 0 HD12 LEU A 93 11.123 -24.162 7.627 1.00 70.42 H new ATOM 0 HD13 LEU A 93 12.081 -22.686 7.364 1.00 70.42 H new ATOM 0 HD21 LEU A 93 14.518 -24.131 6.156 1.00 3.31 H new ATOM 0 HD22 LEU A 93 14.639 -22.860 7.395 1.00 3.31 H new ATOM 0 HD23 LEU A 93 15.381 -24.453 7.679 1.00 3.31 H new ATOM 1425 N LEU A 94 12.268 -21.399 10.922 1.00 74.01 N ATOM 1426 CA LEU A 94 11.542 -20.840 12.058 1.00 72.55 C ATOM 1427 C LEU A 94 10.036 -20.985 11.865 1.00 15.33 C ATOM 1428 O LEU A 94 9.406 -20.171 11.189 1.00 14.10 O ATOM 1429 CB LEU A 94 11.905 -19.366 12.245 1.00 73.32 C ATOM 1430 CG LEU A 94 13.074 -19.077 13.187 1.00 33.42 C ATOM 1431 CD1 LEU A 94 14.323 -18.725 12.395 1.00 24.53 C ATOM 1432 CD2 LEU A 94 12.717 -17.955 14.151 1.00 50.01 C ATOM 0 H LEU A 94 12.002 -21.008 10.018 1.00 74.01 H new ATOM 0 HA LEU A 94 11.830 -21.394 12.951 1.00 72.55 H new ATOM 0 HB2 LEU A 94 12.139 -18.943 11.268 1.00 73.32 H new ATOM 0 HB3 LEU A 94 11.026 -18.840 12.618 1.00 73.32 H new ATOM 0 HG LEU A 94 13.279 -19.976 13.768 1.00 33.42 H new ATOM 0 HD11 LEU A 94 15.145 -18.522 13.082 1.00 24.53 H new ATOM 0 HD12 LEU A 94 14.590 -19.559 11.746 1.00 24.53 H new ATOM 0 HD13 LEU A 94 14.131 -17.840 11.788 1.00 24.53 H new ATOM 0 HD21 LEU A 94 13.561 -17.763 14.814 1.00 50.01 H new ATOM 0 HD22 LEU A 94 12.485 -17.051 13.588 1.00 50.01 H new ATOM 0 HD23 LEU A 94 11.849 -18.246 14.743 1.00 50.01 H new ATOM 1444 N ILE A 95 9.464 -22.023 12.466 1.00 64.33 N ATOM 1445 CA ILE A 95 8.032 -22.272 12.363 1.00 12.51 C ATOM 1446 C ILE A 95 7.283 -21.663 13.544 1.00 75.42 C ATOM 1447 O ILE A 95 7.654 -21.866 14.699 1.00 35.40 O ATOM 1448 CB ILE A 95 7.725 -23.779 12.296 1.00 20.35 C ATOM 1449 CG1 ILE A 95 8.010 -24.318 10.893 1.00 22.52 C ATOM 1450 CG2 ILE A 95 6.279 -24.043 12.687 1.00 34.34 C ATOM 1451 CD1 ILE A 95 6.987 -23.893 9.863 1.00 24.11 C ATOM 0 H ILE A 95 9.971 -22.705 13.030 1.00 64.33 H new ATOM 0 HA ILE A 95 7.695 -21.801 11.440 1.00 12.51 H new ATOM 0 HB ILE A 95 8.372 -24.298 13.003 1.00 20.35 H new ATOM 0 HG12 ILE A 95 8.996 -23.979 10.576 1.00 22.52 H new ATOM 0 HG13 ILE A 95 8.045 -25.407 10.931 1.00 22.52 H new ATOM 0 HG21 ILE A 95 6.077 -25.113 12.635 1.00 34.34 H new ATOM 0 HG22 ILE A 95 6.107 -23.691 13.704 1.00 34.34 H new ATOM 0 HG23 ILE A 95 5.615 -23.515 12.003 1.00 34.34 H new ATOM 0 HD11 ILE A 95 7.253 -24.311 8.892 1.00 24.11 H new ATOM 0 HD12 ILE A 95 6.002 -24.256 10.157 1.00 24.11 H new ATOM 0 HD13 ILE A 95 6.968 -22.805 9.796 1.00 24.11 H new ATOM 1463 N GLY A 96 6.223 -20.917 13.245 1.00 64.02 N ATOM 1464 CA GLY A 96 5.437 -20.292 14.292 1.00 10.11 C ATOM 1465 C GLY A 96 3.986 -20.107 13.895 1.00 12.31 C ATOM 1466 O GLY A 96 3.688 -19.769 12.750 1.00 12.42 O ATOM 0 H GLY A 96 5.895 -20.735 12.296 1.00 64.02 H new ATOM 0 HA2 GLY A 96 5.489 -20.902 15.194 1.00 10.11 H new ATOM 0 HA3 GLY A 96 5.870 -19.322 14.537 1.00 10.11 H new ATOM 1470 N GLU A 97 3.081 -20.330 14.843 1.00 23.24 N ATOM 1471 CA GLU A 97 1.653 -20.188 14.585 1.00 63.04 C ATOM 1472 C GLU A 97 1.341 -18.814 13.999 1.00 14.12 C ATOM 1473 O GLU A 97 1.411 -17.801 14.693 1.00 10.34 O ATOM 1474 CB GLU A 97 0.855 -20.399 15.873 1.00 25.21 C ATOM 1475 CG GLU A 97 -0.580 -20.836 15.635 1.00 14.53 C ATOM 1476 CD GLU A 97 -1.531 -20.318 16.698 1.00 61.25 C ATOM 1477 OE1 GLU A 97 -1.322 -20.635 17.887 1.00 63.41 O ATOM 1478 OE2 GLU A 97 -2.484 -19.596 16.338 1.00 12.55 O ATOM 0 H GLU A 97 3.312 -20.610 15.796 1.00 23.24 H new ATOM 0 HA GLU A 97 1.364 -20.948 13.859 1.00 63.04 H new ATOM 0 HB2 GLU A 97 1.358 -21.149 16.483 1.00 25.21 H new ATOM 0 HB3 GLU A 97 0.853 -19.471 16.445 1.00 25.21 H new ATOM 0 HG2 GLU A 97 -0.906 -20.482 14.657 1.00 14.53 H new ATOM 0 HG3 GLU A 97 -0.625 -21.925 15.611 1.00 14.53 H new ATOM 1485 N GLY A 98 0.995 -18.789 12.715 1.00 2.44 N ATOM 1486 CA GLY A 98 0.678 -17.535 12.057 1.00 14.33 C ATOM 1487 C GLY A 98 -0.187 -17.728 10.827 1.00 22.33 C ATOM 1488 O GLY A 98 -0.311 -18.832 10.297 1.00 61.41 O ATOM 0 H GLY A 98 0.929 -19.614 12.119 1.00 2.44 H new ATOM 0 HA2 GLY A 98 0.164 -16.879 12.760 1.00 14.33 H new ATOM 0 HA3 GLY A 98 1.603 -17.034 11.772 1.00 14.33 H new ATOM 1492 N PRO A 99 -0.805 -16.635 10.356 1.00 62.24 N ATOM 1493 CA PRO A 99 -1.674 -16.664 9.176 1.00 61.55 C ATOM 1494 C PRO A 99 -0.894 -16.899 7.887 1.00 62.44 C ATOM 1495 O PRO A 99 0.330 -16.768 7.858 1.00 25.13 O ATOM 1496 CB PRO A 99 -2.310 -15.272 9.169 1.00 34.42 C ATOM 1497 CG PRO A 99 -1.339 -14.408 9.896 1.00 23.32 C ATOM 1498 CD PRO A 99 -0.702 -15.286 10.938 1.00 71.54 C ATOM 0 HA PRO A 99 -2.397 -17.478 9.223 1.00 61.55 H new ATOM 0 HB2 PRO A 99 -2.472 -14.916 8.152 1.00 34.42 H new ATOM 0 HB3 PRO A 99 -3.282 -15.278 9.663 1.00 34.42 H new ATOM 0 HG2 PRO A 99 -0.590 -14.004 9.215 1.00 23.32 H new ATOM 0 HG3 PRO A 99 -1.842 -13.558 10.357 1.00 23.32 H new ATOM 0 HD2 PRO A 99 0.335 -15.005 11.121 1.00 71.54 H new ATOM 0 HD3 PRO A 99 -1.223 -15.219 11.893 1.00 71.54 H new ATOM 1506 N CYS A 100 -1.609 -17.247 6.823 1.00 52.44 N ATOM 1507 CA CYS A 100 -0.983 -17.500 5.530 1.00 71.22 C ATOM 1508 C CYS A 100 -1.824 -16.923 4.396 1.00 72.32 C ATOM 1509 O CYS A 100 -3.053 -16.989 4.425 1.00 72.02 O ATOM 1510 CB CYS A 100 -0.786 -19.002 5.321 1.00 25.33 C ATOM 1511 SG CYS A 100 -0.163 -19.445 3.682 1.00 3.55 S ATOM 0 H CYS A 100 -2.623 -17.360 6.830 1.00 52.44 H new ATOM 0 HA CYS A 100 -0.010 -17.008 5.523 1.00 71.22 H new ATOM 0 HB2 CYS A 100 -0.092 -19.375 6.074 1.00 25.33 H new ATOM 0 HB3 CYS A 100 -1.737 -19.508 5.485 1.00 25.33 H new ATOM 0 HG CYS A 100 -0.027 -20.736 3.604 1.00 3.55 H new ATOM 1517 N VAL A 101 -1.154 -16.356 3.398 1.00 63.21 N ATOM 1518 CA VAL A 101 -1.839 -15.767 2.254 1.00 51.30 C ATOM 1519 C VAL A 101 -0.952 -15.782 1.014 1.00 0.22 C ATOM 1520 O VAL A 101 0.276 -15.819 1.099 1.00 13.13 O ATOM 1521 CB VAL A 101 -2.272 -14.317 2.545 1.00 63.33 C ATOM 1522 CG1 VAL A 101 -3.494 -14.296 3.450 1.00 60.12 C ATOM 1523 CG2 VAL A 101 -1.125 -13.534 3.165 1.00 1.22 C ATOM 0 H VAL A 101 -0.137 -16.292 3.359 1.00 63.21 H new ATOM 0 HA VAL A 101 -2.726 -16.373 2.070 1.00 51.30 H new ATOM 0 HB VAL A 101 -2.540 -13.840 1.603 1.00 63.33 H new ATOM 0 HG11 VAL A 101 -3.785 -13.264 3.644 1.00 60.12 H new ATOM 0 HG12 VAL A 101 -4.317 -14.819 2.963 1.00 60.12 H new ATOM 0 HG13 VAL A 101 -3.257 -14.790 4.392 1.00 60.12 H new ATOM 0 HG21 VAL A 101 -1.448 -12.512 3.364 1.00 1.22 H new ATOM 0 HG22 VAL A 101 -0.824 -14.008 4.099 1.00 1.22 H new ATOM 0 HG23 VAL A 101 -0.280 -13.520 2.477 1.00 1.22 H new ATOM 1533 N PRO A 102 -1.586 -15.752 -0.167 1.00 40.24 N ATOM 1534 CA PRO A 102 -0.874 -15.760 -1.448 1.00 65.15 C ATOM 1535 C PRO A 102 -0.127 -14.455 -1.705 1.00 70.51 C ATOM 1536 O PRO A 102 -0.580 -13.611 -2.477 1.00 32.14 O ATOM 1537 CB PRO A 102 -1.993 -15.947 -2.476 1.00 1.33 C ATOM 1538 CG PRO A 102 -3.212 -15.411 -1.809 1.00 14.53 C ATOM 1539 CD PRO A 102 -3.047 -15.707 -0.344 1.00 13.13 C ATOM 0 HA PRO A 102 -0.110 -16.536 -1.484 1.00 65.15 H new ATOM 0 HB2 PRO A 102 -1.777 -15.408 -3.399 1.00 1.33 H new ATOM 0 HB3 PRO A 102 -2.116 -16.997 -2.741 1.00 1.33 H new ATOM 0 HG2 PRO A 102 -3.312 -14.339 -1.982 1.00 14.53 H new ATOM 0 HG3 PRO A 102 -4.112 -15.883 -2.203 1.00 14.53 H new ATOM 0 HD2 PRO A 102 -3.503 -14.935 0.276 1.00 13.13 H new ATOM 0 HD3 PRO A 102 -3.514 -16.653 -0.070 1.00 13.13 H new ATOM 1547 N GLY A 103 1.021 -14.297 -1.053 1.00 70.40 N ATOM 1548 CA GLY A 103 1.812 -13.093 -1.225 1.00 11.13 C ATOM 1549 C GLY A 103 2.557 -12.704 0.037 1.00 53.42 C ATOM 1550 O GLY A 103 3.482 -11.893 -0.006 1.00 24.01 O ATOM 0 H GLY A 103 1.417 -14.982 -0.409 1.00 70.40 H new ATOM 0 HA2 GLY A 103 2.527 -13.244 -2.034 1.00 11.13 H new ATOM 0 HA3 GLY A 103 1.160 -12.273 -1.526 1.00 11.13 H new ATOM 1554 N ASP A 104 2.152 -13.281 1.163 1.00 51.33 N ATOM 1555 CA ASP A 104 2.787 -12.989 2.443 1.00 60.14 C ATOM 1556 C ASP A 104 4.283 -13.283 2.386 1.00 10.33 C ATOM 1557 O ASP A 104 5.064 -12.726 3.157 1.00 21.34 O ATOM 1558 CB ASP A 104 2.136 -13.808 3.558 1.00 75.31 C ATOM 1559 CG ASP A 104 1.535 -12.935 4.642 1.00 30.42 C ATOM 1560 OD1 ASP A 104 1.052 -11.832 4.315 1.00 51.51 O ATOM 1561 OD2 ASP A 104 1.549 -13.356 5.818 1.00 12.33 O ATOM 0 H ASP A 104 1.387 -13.954 1.215 1.00 51.33 H new ATOM 0 HA ASP A 104 2.651 -11.929 2.655 1.00 60.14 H new ATOM 0 HB2 ASP A 104 1.358 -14.441 3.133 1.00 75.31 H new ATOM 0 HB3 ASP A 104 2.880 -14.471 4.000 1.00 75.31 H new ATOM 1566 N ALA A 105 4.674 -14.161 1.469 1.00 23.20 N ATOM 1567 CA ALA A 105 6.076 -14.528 1.312 1.00 61.04 C ATOM 1568 C ALA A 105 6.957 -13.289 1.190 1.00 64.50 C ATOM 1569 O ALA A 105 6.752 -12.454 0.311 1.00 44.41 O ATOM 1570 CB ALA A 105 6.253 -15.426 0.096 1.00 45.30 C ATOM 0 H ALA A 105 4.040 -14.632 0.823 1.00 23.20 H new ATOM 0 HA ALA A 105 6.385 -15.075 2.202 1.00 61.04 H new ATOM 0 HB1 ALA A 105 7.305 -15.693 -0.009 1.00 45.30 H new ATOM 0 HB2 ALA A 105 5.660 -16.332 0.223 1.00 45.30 H new ATOM 0 HB3 ALA A 105 5.921 -14.898 -0.798 1.00 45.30 H new ATOM 1576 N GLY A 106 7.939 -13.178 2.080 1.00 44.45 N ATOM 1577 CA GLY A 106 8.837 -12.037 2.055 1.00 75.24 C ATOM 1578 C GLY A 106 8.710 -11.173 3.294 1.00 63.05 C ATOM 1579 O GLY A 106 9.446 -10.201 3.458 1.00 12.24 O ATOM 0 H GLY A 106 8.129 -13.857 2.817 1.00 44.45 H new ATOM 0 HA2 GLY A 106 9.865 -12.389 1.965 1.00 75.24 H new ATOM 0 HA3 GLY A 106 8.628 -11.433 1.172 1.00 75.24 H new ATOM 1583 N GLY A 107 7.773 -11.527 4.167 1.00 32.25 N ATOM 1584 CA GLY A 107 7.568 -10.765 5.386 1.00 64.44 C ATOM 1585 C GLY A 107 8.739 -10.877 6.343 1.00 75.43 C ATOM 1586 O GLY A 107 9.029 -11.958 6.856 1.00 4.13 O ATOM 0 H GLY A 107 7.152 -12.328 4.053 1.00 32.25 H new ATOM 0 HA2 GLY A 107 7.408 -9.717 5.133 1.00 64.44 H new ATOM 0 HA3 GLY A 107 6.663 -11.115 5.882 1.00 64.44 H new ATOM 1590 N LYS A 108 9.414 -9.758 6.583 1.00 74.52 N ATOM 1591 CA LYS A 108 10.559 -9.734 7.484 1.00 25.11 C ATOM 1592 C LYS A 108 10.110 -9.830 8.939 1.00 52.44 C ATOM 1593 O LYS A 108 9.216 -9.101 9.372 1.00 45.30 O ATOM 1594 CB LYS A 108 11.373 -8.455 7.274 1.00 71.03 C ATOM 1595 CG LYS A 108 11.610 -8.119 5.812 1.00 51.44 C ATOM 1596 CD LYS A 108 13.006 -7.564 5.586 1.00 4.44 C ATOM 1597 CE LYS A 108 13.922 -8.599 4.952 1.00 22.20 C ATOM 1598 NZ LYS A 108 13.484 -8.958 3.575 1.00 75.20 N ATOM 0 H LYS A 108 9.187 -8.855 6.165 1.00 74.52 H new ATOM 0 HA LYS A 108 11.185 -10.597 7.258 1.00 25.11 H new ATOM 0 HB2 LYS A 108 10.855 -7.622 7.750 1.00 71.03 H new ATOM 0 HB3 LYS A 108 12.335 -8.560 7.775 1.00 71.03 H new ATOM 0 HG2 LYS A 108 11.471 -9.014 5.205 1.00 51.44 H new ATOM 0 HG3 LYS A 108 10.870 -7.391 5.481 1.00 51.44 H new ATOM 0 HD2 LYS A 108 12.950 -6.685 4.944 1.00 4.44 H new ATOM 0 HD3 LYS A 108 13.427 -7.238 6.537 1.00 4.44 H new ATOM 0 HE2 LYS A 108 14.940 -8.212 4.920 1.00 22.20 H new ATOM 0 HE3 LYS A 108 13.941 -9.495 5.572 1.00 22.20 H new ATOM 0 HZ1 LYS A 108 14.071 -9.738 3.216 1.00 75.20 H new ATOM 0 HZ2 LYS A 108 12.488 -9.256 3.594 1.00 75.20 H new ATOM 0 HZ3 LYS A 108 13.587 -8.132 2.952 1.00 75.20 H new ATOM 1612 N LEU A 109 10.735 -10.731 9.688 1.00 35.01 N ATOM 1613 CA LEU A 109 10.400 -10.921 11.095 1.00 14.42 C ATOM 1614 C LEU A 109 11.399 -10.201 11.995 1.00 41.43 C ATOM 1615 O LEU A 109 12.549 -10.623 12.126 1.00 51.52 O ATOM 1616 CB LEU A 109 10.371 -12.411 11.437 1.00 72.44 C ATOM 1617 CG LEU A 109 10.238 -12.758 12.920 1.00 55.11 C ATOM 1618 CD1 LEU A 109 8.804 -12.558 13.388 1.00 24.11 C ATOM 1619 CD2 LEU A 109 10.690 -14.188 13.176 1.00 32.13 C ATOM 0 H LEU A 109 11.476 -11.342 9.345 1.00 35.01 H new ATOM 0 HA LEU A 109 9.411 -10.496 11.267 1.00 14.42 H new ATOM 0 HB2 LEU A 109 9.540 -12.870 10.901 1.00 72.44 H new ATOM 0 HB3 LEU A 109 11.285 -12.868 11.058 1.00 72.44 H new ATOM 0 HG LEU A 109 10.882 -12.088 13.490 1.00 55.11 H new ATOM 0 HD11 LEU A 109 8.728 -12.810 14.446 1.00 24.11 H new ATOM 0 HD12 LEU A 109 8.515 -11.517 13.241 1.00 24.11 H new ATOM 0 HD13 LEU A 109 8.140 -13.204 12.813 1.00 24.11 H new ATOM 0 HD21 LEU A 109 10.588 -14.417 14.237 1.00 32.13 H new ATOM 0 HD22 LEU A 109 10.073 -14.874 12.596 1.00 32.13 H new ATOM 0 HD23 LEU A 109 11.733 -14.299 12.879 1.00 32.13 H new ATOM 1631 N LEU A 110 10.953 -9.113 12.614 1.00 22.31 N ATOM 1632 CA LEU A 110 11.808 -8.335 13.504 1.00 12.01 C ATOM 1633 C LEU A 110 11.679 -8.820 14.945 1.00 52.25 C ATOM 1634 O LEU A 110 10.576 -9.076 15.428 1.00 12.44 O ATOM 1635 CB LEU A 110 11.448 -6.851 13.419 1.00 2.44 C ATOM 1636 CG LEU A 110 12.096 -6.067 12.277 1.00 74.20 C ATOM 1637 CD1 LEU A 110 11.036 -5.554 11.314 1.00 2.44 C ATOM 1638 CD2 LEU A 110 12.926 -4.915 12.824 1.00 52.13 C ATOM 0 H LEU A 110 10.005 -8.750 12.516 1.00 22.31 H new ATOM 0 HA LEU A 110 12.842 -8.471 13.186 1.00 12.01 H new ATOM 0 HB2 LEU A 110 10.366 -6.765 13.323 1.00 2.44 H new ATOM 0 HB3 LEU A 110 11.723 -6.376 14.361 1.00 2.44 H new ATOM 0 HG LEU A 110 12.759 -6.738 11.731 1.00 74.20 H new ATOM 0 HD11 LEU A 110 11.515 -4.998 10.508 1.00 2.44 H new ATOM 0 HD12 LEU A 110 10.485 -6.397 10.897 1.00 2.44 H new ATOM 0 HD13 LEU A 110 10.347 -4.899 11.847 1.00 2.44 H new ATOM 0 HD21 LEU A 110 13.379 -4.368 11.997 1.00 52.13 H new ATOM 0 HD22 LEU A 110 12.285 -4.243 13.395 1.00 52.13 H new ATOM 0 HD23 LEU A 110 13.709 -5.307 13.473 1.00 52.13 H new ATOM 1650 N CYS A 111 12.813 -8.942 15.626 1.00 60.21 N ATOM 1651 CA CYS A 111 12.828 -9.394 17.012 1.00 61.32 C ATOM 1652 C CYS A 111 13.446 -8.337 17.922 1.00 20.02 C ATOM 1653 O CYS A 111 13.655 -7.195 17.512 1.00 70.20 O ATOM 1654 CB CYS A 111 13.606 -10.706 17.134 1.00 61.01 C ATOM 1655 SG CYS A 111 15.415 -10.509 17.041 1.00 32.11 S ATOM 0 H CYS A 111 13.734 -8.734 15.240 1.00 60.21 H new ATOM 0 HA CYS A 111 11.797 -9.560 17.325 1.00 61.32 H new ATOM 0 HB2 CYS A 111 13.351 -11.180 18.082 1.00 61.01 H new ATOM 0 HB3 CYS A 111 13.284 -11.382 16.342 1.00 61.01 H new ATOM 0 HG CYS A 111 15.975 -11.188 17.998 1.00 32.11 H new ATOM 1660 N ARG A 112 13.736 -8.726 19.159 1.00 2.05 N ATOM 1661 CA ARG A 112 14.329 -7.812 20.128 1.00 22.14 C ATOM 1662 C ARG A 112 15.292 -6.845 19.445 1.00 32.23 C ATOM 1663 O ARG A 112 15.272 -5.643 19.709 1.00 0.54 O ATOM 1664 CB ARG A 112 15.064 -8.596 21.217 1.00 20.03 C ATOM 1665 CG ARG A 112 14.142 -9.418 22.103 1.00 23.30 C ATOM 1666 CD ARG A 112 13.226 -8.530 22.930 1.00 24.14 C ATOM 1667 NE ARG A 112 13.071 -9.025 24.296 1.00 71.04 N ATOM 1668 CZ ARG A 112 12.348 -8.407 25.223 1.00 23.34 C ATOM 1669 NH1 ARG A 112 11.718 -7.277 24.934 1.00 20.31 N ATOM 1670 NH2 ARG A 112 12.255 -8.920 26.444 1.00 72.14 N ATOM 0 H ARG A 112 13.570 -9.668 19.514 1.00 2.05 H new ATOM 0 HA ARG A 112 13.525 -7.235 20.585 1.00 22.14 H new ATOM 0 HB2 ARG A 112 15.790 -9.260 20.748 1.00 20.03 H new ATOM 0 HB3 ARG A 112 15.625 -7.899 21.839 1.00 20.03 H new ATOM 0 HG2 ARG A 112 13.542 -10.086 21.485 1.00 23.30 H new ATOM 0 HG3 ARG A 112 14.737 -10.046 22.766 1.00 23.30 H new ATOM 0 HD2 ARG A 112 13.628 -7.517 22.955 1.00 24.14 H new ATOM 0 HD3 ARG A 112 12.248 -8.473 22.452 1.00 24.14 H new ATOM 0 HE ARG A 112 13.544 -9.892 24.551 1.00 71.04 H new ATOM 0 HH11 ARG A 112 11.788 -6.879 23.997 1.00 20.31 H new ATOM 0 HH12 ARG A 112 11.164 -6.805 25.648 1.00 20.31 H new ATOM 0 HH21 ARG A 112 12.739 -9.789 26.670 1.00 72.14 H new ATOM 0 HH22 ARG A 112 11.700 -8.445 27.156 1.00 72.14 H new ATOM 1684 N HIS A 113 16.134 -7.379 18.566 1.00 10.21 N ATOM 1685 CA HIS A 113 17.105 -6.563 17.845 1.00 75.22 C ATOM 1686 C HIS A 113 16.515 -6.049 16.535 1.00 64.45 C ATOM 1687 O HIS A 113 16.447 -4.843 16.304 1.00 14.13 O ATOM 1688 CB HIS A 113 18.373 -7.370 17.565 1.00 10.15 C ATOM 1689 CG HIS A 113 18.580 -8.508 18.516 1.00 23.44 C ATOM 1690 ND1 HIS A 113 18.518 -8.365 19.886 1.00 23.44 N ATOM 1691 CD2 HIS A 113 18.848 -9.815 18.288 1.00 64.33 C ATOM 1692 CE1 HIS A 113 18.741 -9.535 20.459 1.00 10.34 C ATOM 1693 NE2 HIS A 113 18.944 -10.431 19.511 1.00 32.52 N ATOM 0 H HIS A 113 16.164 -8.372 18.336 1.00 10.21 H new ATOM 0 HA HIS A 113 17.359 -5.707 18.470 1.00 75.22 H new ATOM 0 HB2 HIS A 113 18.328 -7.760 16.548 1.00 10.15 H new ATOM 0 HB3 HIS A 113 19.235 -6.705 17.614 1.00 10.15 H new ATOM 0 HD2 HIS A 113 18.965 -10.286 17.323 1.00 64.33 H new ATOM 0 HE1 HIS A 113 18.755 -9.726 21.522 1.00 10.34 H new ATOM 0 HE2 HIS A 113 19.140 -11.420 19.663 1.00 32.52 H new ATOM 1701 N GLY A 114 16.092 -6.974 15.678 1.00 21.53 N ATOM 1702 CA GLY A 114 15.516 -6.595 14.402 1.00 75.34 C ATOM 1703 C GLY A 114 15.222 -7.792 13.519 1.00 25.53 C ATOM 1704 O GLY A 114 15.030 -8.904 14.012 1.00 13.13 O ATOM 0 H GLY A 114 16.138 -7.979 15.845 1.00 21.53 H new ATOM 0 HA2 GLY A 114 14.594 -6.039 14.574 1.00 75.34 H new ATOM 0 HA3 GLY A 114 16.201 -5.924 13.883 1.00 75.34 H new ATOM 1708 N VAL A 115 15.187 -7.566 12.210 1.00 71.11 N ATOM 1709 CA VAL A 115 14.914 -8.635 11.256 1.00 4.04 C ATOM 1710 C VAL A 115 15.858 -9.814 11.468 1.00 52.31 C ATOM 1711 O VAL A 115 17.078 -9.651 11.479 1.00 2.55 O ATOM 1712 CB VAL A 115 15.047 -8.139 9.804 1.00 25.13 C ATOM 1713 CG1 VAL A 115 14.832 -9.285 8.827 1.00 44.41 C ATOM 1714 CG2 VAL A 115 14.067 -7.007 9.536 1.00 31.42 C ATOM 0 H VAL A 115 15.344 -6.652 11.785 1.00 71.11 H new ATOM 0 HA VAL A 115 13.888 -8.959 11.428 1.00 4.04 H new ATOM 0 HB VAL A 115 16.057 -7.755 9.660 1.00 25.13 H new ATOM 0 HG11 VAL A 115 14.930 -8.916 7.806 1.00 44.41 H new ATOM 0 HG12 VAL A 115 15.577 -10.060 9.006 1.00 44.41 H new ATOM 0 HG13 VAL A 115 13.835 -9.701 8.968 1.00 44.41 H new ATOM 0 HG21 VAL A 115 14.175 -6.669 8.505 1.00 31.42 H new ATOM 0 HG22 VAL A 115 13.049 -7.361 9.697 1.00 31.42 H new ATOM 0 HG23 VAL A 115 14.274 -6.178 10.213 1.00 31.42 H new ATOM 1724 N ILE A 116 15.284 -11.001 11.634 1.00 4.23 N ATOM 1725 CA ILE A 116 16.075 -12.208 11.844 1.00 54.43 C ATOM 1726 C ILE A 116 15.762 -13.260 10.785 1.00 13.04 C ATOM 1727 O ILE A 116 16.454 -14.271 10.677 1.00 33.30 O ATOM 1728 CB ILE A 116 15.825 -12.809 13.239 1.00 34.03 C ATOM 1729 CG1 ILE A 116 14.334 -12.758 13.581 1.00 1.12 C ATOM 1730 CG2 ILE A 116 16.640 -12.069 14.289 1.00 40.32 C ATOM 1731 CD1 ILE A 116 13.994 -13.414 14.901 1.00 1.21 C ATOM 0 H ILE A 116 14.275 -11.153 11.627 1.00 4.23 H new ATOM 0 HA ILE A 116 17.123 -11.917 11.766 1.00 54.43 H new ATOM 0 HB ILE A 116 16.141 -13.852 13.230 1.00 34.03 H new ATOM 0 HG12 ILE A 116 14.011 -11.717 13.608 1.00 1.12 H new ATOM 0 HG13 ILE A 116 13.770 -13.246 12.786 1.00 1.12 H new ATOM 0 HG21 ILE A 116 16.452 -12.506 15.270 1.00 40.32 H new ATOM 0 HG22 ILE A 116 17.701 -12.152 14.052 1.00 40.32 H new ATOM 0 HG23 ILE A 116 16.352 -11.018 14.299 1.00 40.32 H new ATOM 0 HD11 ILE A 116 12.921 -13.340 15.078 1.00 1.21 H new ATOM 0 HD12 ILE A 116 14.286 -14.464 14.871 1.00 1.21 H new ATOM 0 HD13 ILE A 116 14.530 -12.911 15.706 1.00 1.21 H new ATOM 1743 N GLY A 117 14.714 -13.013 10.005 1.00 70.43 N ATOM 1744 CA GLY A 117 14.328 -13.948 8.963 1.00 5.25 C ATOM 1745 C GLY A 117 13.033 -13.554 8.282 1.00 61.13 C ATOM 1746 O GLY A 117 12.210 -12.846 8.861 1.00 15.42 O ATOM 0 H GLY A 117 14.126 -12.183 10.076 1.00 70.43 H new ATOM 0 HA2 GLY A 117 15.123 -14.007 8.219 1.00 5.25 H new ATOM 0 HA3 GLY A 117 14.220 -14.943 9.394 1.00 5.25 H new ATOM 1750 N ILE A 118 12.853 -14.013 7.048 1.00 51.44 N ATOM 1751 CA ILE A 118 11.649 -13.703 6.287 1.00 72.24 C ATOM 1752 C ILE A 118 10.804 -14.953 6.063 1.00 52.33 C ATOM 1753 O ILE A 118 11.229 -16.066 6.375 1.00 54.52 O ATOM 1754 CB ILE A 118 11.991 -13.077 4.922 1.00 71.03 C ATOM 1755 CG1 ILE A 118 12.857 -14.034 4.100 1.00 40.21 C ATOM 1756 CG2 ILE A 118 12.699 -11.744 5.113 1.00 22.30 C ATOM 1757 CD1 ILE A 118 12.889 -13.703 2.624 1.00 22.31 C ATOM 0 H ILE A 118 13.525 -14.600 6.554 1.00 51.44 H new ATOM 0 HA ILE A 118 11.080 -12.983 6.875 1.00 72.24 H new ATOM 0 HB ILE A 118 11.063 -12.899 4.378 1.00 71.03 H new ATOM 0 HG12 ILE A 118 13.875 -14.016 4.490 1.00 40.21 H new ATOM 0 HG13 ILE A 118 12.484 -15.050 4.228 1.00 40.21 H new ATOM 0 HG21 ILE A 118 12.934 -11.314 4.139 1.00 22.30 H new ATOM 0 HG22 ILE A 118 12.050 -11.063 5.663 1.00 22.30 H new ATOM 0 HG23 ILE A 118 13.621 -11.899 5.673 1.00 22.30 H new ATOM 0 HD11 ILE A 118 13.521 -14.422 2.103 1.00 22.31 H new ATOM 0 HD12 ILE A 118 11.878 -13.749 2.219 1.00 22.31 H new ATOM 0 HD13 ILE A 118 13.291 -12.699 2.485 1.00 22.31 H new ATOM 1769 N ILE A 119 9.607 -14.761 5.519 1.00 52.03 N ATOM 1770 CA ILE A 119 8.703 -15.873 5.250 1.00 4.11 C ATOM 1771 C ILE A 119 9.156 -16.666 4.029 1.00 71.11 C ATOM 1772 O ILE A 119 9.164 -16.153 2.909 1.00 25.42 O ATOM 1773 CB ILE A 119 7.260 -15.384 5.025 1.00 64.11 C ATOM 1774 CG1 ILE A 119 6.933 -14.235 5.981 1.00 32.52 C ATOM 1775 CG2 ILE A 119 6.278 -16.531 5.210 1.00 51.25 C ATOM 1776 CD1 ILE A 119 5.473 -13.838 5.971 1.00 63.04 C ATOM 0 H ILE A 119 9.241 -13.846 5.256 1.00 52.03 H new ATOM 0 HA ILE A 119 8.726 -16.518 6.128 1.00 4.11 H new ATOM 0 HB ILE A 119 7.171 -15.017 4.003 1.00 64.11 H new ATOM 0 HG12 ILE A 119 7.216 -14.524 6.993 1.00 32.52 H new ATOM 0 HG13 ILE A 119 7.539 -13.369 5.716 1.00 32.52 H new ATOM 0 HG21 ILE A 119 5.262 -16.170 5.048 1.00 51.25 H new ATOM 0 HG22 ILE A 119 6.501 -17.321 4.493 1.00 51.25 H new ATOM 0 HG23 ILE A 119 6.366 -16.925 6.222 1.00 51.25 H new ATOM 0 HD11 ILE A 119 5.314 -13.018 6.672 1.00 63.04 H new ATOM 0 HD12 ILE A 119 5.190 -13.518 4.968 1.00 63.04 H new ATOM 0 HD13 ILE A 119 4.862 -14.691 6.266 1.00 63.04 H new ATOM 1788 N THR A 120 9.531 -17.922 4.251 1.00 34.23 N ATOM 1789 CA THR A 120 9.984 -18.788 3.170 1.00 53.53 C ATOM 1790 C THR A 120 8.978 -19.901 2.898 1.00 3.33 C ATOM 1791 O THR A 120 8.950 -20.472 1.809 1.00 53.03 O ATOM 1792 CB THR A 120 11.354 -19.415 3.489 1.00 73.21 C ATOM 1793 OG1 THR A 120 11.824 -20.163 2.362 1.00 22.43 O ATOM 1794 CG2 THR A 120 11.262 -20.324 4.705 1.00 23.23 C ATOM 0 H THR A 120 9.530 -18.362 5.171 1.00 34.23 H new ATOM 0 HA THR A 120 10.077 -18.163 2.282 1.00 53.53 H new ATOM 0 HB THR A 120 12.056 -18.610 3.709 1.00 73.21 H new ATOM 0 HG1 THR A 120 12.696 -20.557 2.572 1.00 22.43 H new ATOM 0 HG21 THR A 120 12.241 -20.756 4.911 1.00 23.23 H new ATOM 0 HG22 THR A 120 10.931 -19.745 5.568 1.00 23.23 H new ATOM 0 HG23 THR A 120 10.547 -21.123 4.509 1.00 23.23 H new ATOM 1802 N ALA A 121 8.154 -20.204 3.896 1.00 41.41 N ATOM 1803 CA ALA A 121 7.145 -21.247 3.763 1.00 10.11 C ATOM 1804 C ALA A 121 5.926 -20.945 4.628 1.00 21.03 C ATOM 1805 O ALA A 121 6.029 -20.263 5.647 1.00 63.10 O ATOM 1806 CB ALA A 121 7.734 -22.601 4.131 1.00 12.33 C ATOM 0 H ALA A 121 8.166 -19.742 4.805 1.00 41.41 H new ATOM 0 HA ALA A 121 6.821 -21.275 2.723 1.00 10.11 H new ATOM 0 HB1 ALA A 121 6.969 -23.371 4.027 1.00 12.33 H new ATOM 0 HB2 ALA A 121 8.569 -22.827 3.468 1.00 12.33 H new ATOM 0 HB3 ALA A 121 8.086 -22.576 5.162 1.00 12.33 H new ATOM 1812 N GLY A 122 4.771 -21.457 4.215 1.00 72.32 N ATOM 1813 CA GLY A 122 3.548 -21.231 4.963 1.00 5.55 C ATOM 1814 C GLY A 122 2.507 -22.302 4.711 1.00 32.43 C ATOM 1815 O GLY A 122 2.335 -22.758 3.581 1.00 3.33 O ATOM 0 H GLY A 122 4.660 -22.025 3.375 1.00 72.32 H new ATOM 0 HA2 GLY A 122 3.778 -21.196 6.028 1.00 5.55 H new ATOM 0 HA3 GLY A 122 3.136 -20.258 4.694 1.00 5.55 H new ATOM 1819 N GLY A 123 1.809 -22.708 5.768 1.00 24.31 N ATOM 1820 CA GLY A 123 0.789 -23.732 5.635 1.00 1.21 C ATOM 1821 C GLY A 123 -0.522 -23.331 6.283 1.00 64.54 C ATOM 1822 O GLY A 123 -0.987 -22.204 6.113 1.00 61.32 O ATOM 0 H GLY A 123 1.932 -22.346 6.714 1.00 24.31 H new ATOM 0 HA2 GLY A 123 0.620 -23.938 4.578 1.00 1.21 H new ATOM 0 HA3 GLY A 123 1.146 -24.657 6.087 1.00 1.21 H new ATOM 1826 N ASP A 124 -1.119 -24.257 7.025 1.00 15.53 N ATOM 1827 CA ASP A 124 -2.385 -23.995 7.700 1.00 14.52 C ATOM 1828 C ASP A 124 -2.167 -23.755 9.191 1.00 71.51 C ATOM 1829 O ASP A 124 -1.975 -24.697 9.959 1.00 1.23 O ATOM 1830 CB ASP A 124 -3.349 -25.164 7.494 1.00 32.13 C ATOM 1831 CG ASP A 124 -3.800 -25.296 6.053 1.00 62.12 C ATOM 1832 OD1 ASP A 124 -3.086 -25.952 5.265 1.00 21.33 O ATOM 1833 OD2 ASP A 124 -4.867 -24.744 5.712 1.00 23.22 O ATOM 0 H ASP A 124 -0.747 -25.195 7.174 1.00 15.53 H new ATOM 0 HA ASP A 124 -2.820 -23.095 7.266 1.00 14.52 H new ATOM 0 HB2 ASP A 124 -2.865 -26.089 7.806 1.00 32.13 H new ATOM 0 HB3 ASP A 124 -4.221 -25.029 8.134 1.00 32.13 H new ATOM 1838 N GLY A 125 -2.197 -22.488 9.593 1.00 72.32 N ATOM 1839 CA GLY A 125 -2.000 -22.148 10.990 1.00 60.23 C ATOM 1840 C GLY A 125 -0.539 -22.177 11.393 1.00 40.23 C ATOM 1841 O GLY A 125 -0.201 -21.917 12.548 1.00 42.21 O ATOM 0 H GLY A 125 -2.354 -21.691 8.976 1.00 72.32 H new ATOM 0 HA2 GLY A 125 -2.406 -21.155 11.180 1.00 60.23 H new ATOM 0 HA3 GLY A 125 -2.560 -22.846 11.613 1.00 60.23 H new ATOM 1845 N HIS A 126 0.330 -22.495 10.439 1.00 63.22 N ATOM 1846 CA HIS A 126 1.764 -22.558 10.701 1.00 72.12 C ATOM 1847 C HIS A 126 2.552 -21.897 9.574 1.00 14.51 C ATOM 1848 O HIS A 126 2.343 -22.195 8.398 1.00 15.01 O ATOM 1849 CB HIS A 126 2.210 -24.011 10.866 1.00 22.10 C ATOM 1850 CG HIS A 126 2.188 -24.487 12.286 1.00 12.20 C ATOM 1851 ND1 HIS A 126 2.731 -23.767 13.329 1.00 34.15 N ATOM 1852 CD2 HIS A 126 1.682 -25.617 12.833 1.00 10.33 C ATOM 1853 CE1 HIS A 126 2.561 -24.435 14.457 1.00 43.41 C ATOM 1854 NE2 HIS A 126 1.927 -25.560 14.183 1.00 30.43 N ATOM 0 H HIS A 126 0.067 -22.713 9.478 1.00 63.22 H new ATOM 0 HA HIS A 126 1.963 -22.017 11.626 1.00 72.12 H new ATOM 0 HB2 HIS A 126 1.563 -24.651 10.267 1.00 22.10 H new ATOM 0 HB3 HIS A 126 3.220 -24.119 10.471 1.00 22.10 H new ATOM 0 HD2 HIS A 126 1.179 -26.415 12.306 1.00 10.33 H new ATOM 0 HE1 HIS A 126 2.886 -24.115 15.436 1.00 43.41 H new ATOM 0 HE2 HIS A 126 1.662 -26.272 14.864 1.00 30.43 H new ATOM 1862 N VAL A 127 3.458 -20.996 9.941 1.00 13.15 N ATOM 1863 CA VAL A 127 4.277 -20.292 8.962 1.00 71.20 C ATOM 1864 C VAL A 127 5.760 -20.418 9.294 1.00 54.40 C ATOM 1865 O VAL A 127 6.172 -20.194 10.432 1.00 64.15 O ATOM 1866 CB VAL A 127 3.903 -18.800 8.886 1.00 4.23 C ATOM 1867 CG1 VAL A 127 3.891 -18.181 10.276 1.00 72.31 C ATOM 1868 CG2 VAL A 127 4.865 -18.056 7.971 1.00 33.25 C ATOM 0 H VAL A 127 3.643 -20.737 10.910 1.00 13.15 H new ATOM 0 HA VAL A 127 4.084 -20.756 7.995 1.00 71.20 H new ATOM 0 HB VAL A 127 2.900 -18.715 8.468 1.00 4.23 H new ATOM 0 HG11 VAL A 127 3.625 -17.127 10.202 1.00 72.31 H new ATOM 0 HG12 VAL A 127 3.160 -18.697 10.898 1.00 72.31 H new ATOM 0 HG13 VAL A 127 4.880 -18.275 10.725 1.00 72.31 H new ATOM 0 HG21 VAL A 127 4.586 -17.003 7.929 1.00 33.25 H new ATOM 0 HG22 VAL A 127 5.880 -18.147 8.358 1.00 33.25 H new ATOM 0 HG23 VAL A 127 4.819 -18.484 6.970 1.00 33.25 H new ATOM 1878 N ALA A 128 6.556 -20.776 8.293 1.00 63.15 N ATOM 1879 CA ALA A 128 7.994 -20.929 8.477 1.00 0.22 C ATOM 1880 C ALA A 128 8.738 -19.663 8.065 1.00 30.12 C ATOM 1881 O ALA A 128 8.245 -18.877 7.256 1.00 62.13 O ATOM 1882 CB ALA A 128 8.504 -22.124 7.686 1.00 72.30 C ATOM 0 H ALA A 128 6.230 -20.966 7.345 1.00 63.15 H new ATOM 0 HA ALA A 128 8.183 -21.102 9.537 1.00 0.22 H new ATOM 0 HB1 ALA A 128 9.579 -22.226 7.833 1.00 72.30 H new ATOM 0 HB2 ALA A 128 8.003 -23.029 8.031 1.00 72.30 H new ATOM 0 HB3 ALA A 128 8.295 -21.975 6.627 1.00 72.30 H new ATOM 1888 N PHE A 129 9.927 -19.471 8.628 1.00 73.45 N ATOM 1889 CA PHE A 129 10.738 -18.300 8.320 1.00 41.55 C ATOM 1890 C PHE A 129 12.205 -18.683 8.151 1.00 63.04 C ATOM 1891 O PHE A 129 12.759 -19.435 8.953 1.00 24.20 O ATOM 1892 CB PHE A 129 10.597 -17.251 9.425 1.00 44.34 C ATOM 1893 CG PHE A 129 9.171 -16.956 9.793 1.00 5.13 C ATOM 1894 CD1 PHE A 129 8.352 -16.245 8.931 1.00 1.34 C ATOM 1895 CD2 PHE A 129 8.650 -17.390 11.001 1.00 23.52 C ATOM 1896 CE1 PHE A 129 7.040 -15.971 9.269 1.00 70.53 C ATOM 1897 CE2 PHE A 129 7.339 -17.121 11.344 1.00 54.42 C ATOM 1898 CZ PHE A 129 6.532 -16.411 10.476 1.00 62.03 C ATOM 0 H PHE A 129 10.350 -20.112 9.300 1.00 73.45 H new ATOM 0 HA PHE A 129 10.381 -17.879 7.380 1.00 41.55 H new ATOM 0 HB2 PHE A 129 11.129 -17.595 10.312 1.00 44.34 H new ATOM 0 HB3 PHE A 129 11.079 -16.328 9.102 1.00 44.34 H new ATOM 0 HD1 PHE A 129 8.743 -15.901 7.985 1.00 1.34 H new ATOM 0 HD2 PHE A 129 9.276 -17.946 11.683 1.00 23.52 H new ATOM 0 HE1 PHE A 129 6.412 -15.413 8.590 1.00 70.53 H new ATOM 0 HE2 PHE A 129 6.946 -17.465 12.289 1.00 54.42 H new ATOM 0 HZ PHE A 129 5.506 -16.200 10.740 1.00 62.03 H new ATOM 1908 N THR A 130 12.830 -18.161 7.100 1.00 42.22 N ATOM 1909 CA THR A 130 14.232 -18.449 6.823 1.00 12.32 C ATOM 1910 C THR A 130 15.150 -17.519 7.609 1.00 74.03 C ATOM 1911 O THR A 130 15.093 -16.299 7.454 1.00 15.13 O ATOM 1912 CB THR A 130 14.547 -18.314 5.321 1.00 22.45 C ATOM 1913 OG1 THR A 130 15.948 -18.510 5.096 1.00 74.55 O ATOM 1914 CG2 THR A 130 14.131 -16.947 4.801 1.00 1.34 C ATOM 0 H THR A 130 12.387 -17.536 6.426 1.00 42.22 H new ATOM 0 HA THR A 130 14.411 -19.479 7.133 1.00 12.32 H new ATOM 0 HB THR A 130 13.982 -19.076 4.784 1.00 22.45 H new ATOM 0 HG1 THR A 130 16.141 -18.424 4.139 1.00 74.55 H new ATOM 0 HG21 THR A 130 14.363 -16.876 3.738 1.00 1.34 H new ATOM 0 HG22 THR A 130 13.059 -16.813 4.948 1.00 1.34 H new ATOM 0 HG23 THR A 130 14.672 -16.171 5.343 1.00 1.34 H new ATOM 1922 N ASP A 131 15.995 -18.103 8.451 1.00 41.14 N ATOM 1923 CA ASP A 131 16.927 -17.326 9.260 1.00 62.13 C ATOM 1924 C ASP A 131 18.033 -16.730 8.394 1.00 73.35 C ATOM 1925 O ASP A 131 18.761 -17.454 7.714 1.00 65.14 O ATOM 1926 CB ASP A 131 17.537 -18.202 10.356 1.00 52.44 C ATOM 1927 CG ASP A 131 17.209 -17.698 11.748 1.00 61.43 C ATOM 1928 OD1 ASP A 131 16.971 -16.482 11.898 1.00 73.04 O ATOM 1929 OD2 ASP A 131 17.192 -18.521 12.688 1.00 41.04 O ATOM 0 H ASP A 131 16.054 -19.112 8.591 1.00 41.14 H new ATOM 0 HA ASP A 131 16.374 -16.509 9.724 1.00 62.13 H new ATOM 0 HB2 ASP A 131 17.172 -19.223 10.247 1.00 52.44 H new ATOM 0 HB3 ASP A 131 18.619 -18.236 10.230 1.00 52.44 H new ATOM 1934 N LEU A 132 18.151 -15.408 8.422 1.00 43.40 N ATOM 1935 CA LEU A 132 19.168 -14.714 7.639 1.00 54.54 C ATOM 1936 C LEU A 132 20.482 -14.627 8.407 1.00 64.01 C ATOM 1937 O LEU A 132 21.543 -14.412 7.820 1.00 52.43 O ATOM 1938 CB LEU A 132 18.685 -13.309 7.271 1.00 63.22 C ATOM 1939 CG LEU A 132 17.287 -13.219 6.658 1.00 1.33 C ATOM 1940 CD1 LEU A 132 16.599 -11.932 7.087 1.00 40.13 C ATOM 1941 CD2 LEU A 132 17.363 -13.305 5.141 1.00 71.51 C ATOM 0 H LEU A 132 17.555 -14.794 8.978 1.00 43.40 H new ATOM 0 HA LEU A 132 19.340 -15.284 6.726 1.00 54.54 H new ATOM 0 HB2 LEU A 132 18.706 -12.692 8.169 1.00 63.22 H new ATOM 0 HB3 LEU A 132 19.396 -12.874 6.569 1.00 63.22 H new ATOM 0 HG LEU A 132 16.697 -14.061 7.020 1.00 1.33 H new ATOM 0 HD11 LEU A 132 15.605 -11.885 6.641 1.00 40.13 H new ATOM 0 HD12 LEU A 132 16.511 -11.911 8.173 1.00 40.13 H new ATOM 0 HD13 LEU A 132 17.187 -11.077 6.754 1.00 40.13 H new ATOM 0 HD21 LEU A 132 16.359 -13.239 4.722 1.00 71.51 H new ATOM 0 HD22 LEU A 132 17.970 -12.484 4.760 1.00 71.51 H new ATOM 0 HD23 LEU A 132 17.815 -14.254 4.853 1.00 71.51 H new ATOM 1953 N ARG A 133 20.405 -14.798 9.723 1.00 64.45 N ATOM 1954 CA ARG A 133 21.590 -14.741 10.571 1.00 15.31 C ATOM 1955 C ARG A 133 22.695 -15.639 10.023 1.00 1.45 C ATOM 1956 O ARG A 133 23.800 -15.189 9.720 1.00 63.02 O ATOM 1957 CB ARG A 133 21.240 -15.159 12.000 1.00 14.45 C ATOM 1958 CG ARG A 133 22.381 -15.847 12.731 1.00 43.33 C ATOM 1959 CD ARG A 133 22.118 -15.927 14.226 1.00 30.12 C ATOM 1960 NE ARG A 133 22.138 -17.304 14.712 1.00 25.14 N ATOM 1961 CZ ARG A 133 23.247 -18.028 14.824 1.00 52.32 C ATOM 1962 NH1 ARG A 133 24.419 -17.508 14.486 1.00 53.21 N ATOM 1963 NH2 ARG A 133 23.184 -19.274 15.275 1.00 63.25 N ATOM 0 H ARG A 133 19.535 -14.977 10.225 1.00 64.45 H new ATOM 0 HA ARG A 133 21.952 -13.713 10.578 1.00 15.31 H new ATOM 0 HB2 ARG A 133 20.938 -14.276 12.564 1.00 14.45 H new ATOM 0 HB3 ARG A 133 20.381 -15.829 11.973 1.00 14.45 H new ATOM 0 HG2 ARG A 133 22.518 -16.851 12.330 1.00 43.33 H new ATOM 0 HG3 ARG A 133 23.309 -15.304 12.552 1.00 43.33 H new ATOM 0 HD2 ARG A 133 22.870 -15.344 14.758 1.00 30.12 H new ATOM 0 HD3 ARG A 133 21.150 -15.478 14.448 1.00 30.12 H new ATOM 0 HE ARG A 133 21.253 -17.734 14.980 1.00 25.14 H new ATOM 0 HH11 ARG A 133 24.471 -16.550 14.139 1.00 53.21 H new ATOM 0 HH12 ARG A 133 25.269 -18.066 14.573 1.00 53.21 H new ATOM 0 HH21 ARG A 133 22.284 -19.677 15.536 1.00 63.25 H new ATOM 0 HH22 ARG A 133 24.035 -19.829 15.361 1.00 63.25 H new ATOM 1977 N PRO A 134 22.392 -16.939 9.894 1.00 2.24 N ATOM 1978 CA PRO A 134 23.347 -17.927 9.383 1.00 12.02 C ATOM 1979 C PRO A 134 23.629 -17.744 7.896 1.00 64.51 C ATOM 1980 O PRO A 134 24.527 -18.380 7.342 1.00 0.12 O ATOM 1981 CB PRO A 134 22.643 -19.263 9.634 1.00 53.13 C ATOM 1982 CG PRO A 134 21.191 -18.928 9.656 1.00 43.23 C ATOM 1983 CD PRO A 134 21.094 -17.544 10.237 1.00 24.40 C ATOM 0 HA PRO A 134 24.319 -17.844 9.869 1.00 12.02 H new ATOM 0 HB2 PRO A 134 22.871 -19.984 8.849 1.00 53.13 H new ATOM 0 HB3 PRO A 134 22.961 -19.707 10.577 1.00 53.13 H new ATOM 0 HG2 PRO A 134 20.768 -18.960 8.652 1.00 43.23 H new ATOM 0 HG3 PRO A 134 20.634 -19.645 10.260 1.00 43.23 H new ATOM 0 HD2 PRO A 134 20.263 -16.985 9.806 1.00 24.40 H new ATOM 0 HD3 PRO A 134 20.935 -17.571 11.315 1.00 24.40 H new ATOM 1991 N TYR A 135 22.859 -16.873 7.255 1.00 51.03 N ATOM 1992 CA TYR A 135 23.026 -16.609 5.831 1.00 55.54 C ATOM 1993 C TYR A 135 23.965 -15.428 5.602 1.00 72.21 C ATOM 1994 O TYR A 135 24.603 -15.322 4.555 1.00 32.25 O ATOM 1995 CB TYR A 135 21.670 -16.329 5.180 1.00 15.03 C ATOM 1996 CG TYR A 135 21.226 -17.407 4.218 1.00 72.23 C ATOM 1997 CD1 TYR A 135 22.058 -17.835 3.191 1.00 22.20 C ATOM 1998 CD2 TYR A 135 19.974 -17.999 4.336 1.00 40.22 C ATOM 1999 CE1 TYR A 135 21.656 -18.819 2.309 1.00 64.50 C ATOM 2000 CE2 TYR A 135 19.564 -18.985 3.459 1.00 4.12 C ATOM 2001 CZ TYR A 135 20.409 -19.391 2.447 1.00 31.42 C ATOM 2002 OH TYR A 135 20.006 -20.373 1.571 1.00 34.25 O ATOM 0 H TYR A 135 22.113 -16.337 7.699 1.00 51.03 H new ATOM 0 HA TYR A 135 23.466 -17.495 5.373 1.00 55.54 H new ATOM 0 HB2 TYR A 135 20.918 -16.218 5.961 1.00 15.03 H new ATOM 0 HB3 TYR A 135 21.721 -15.378 4.649 1.00 15.03 H new ATOM 0 HD1 TYR A 135 23.036 -17.391 3.080 1.00 22.20 H new ATOM 0 HD2 TYR A 135 19.310 -17.683 5.127 1.00 40.22 H new ATOM 0 HE1 TYR A 135 22.315 -19.139 1.515 1.00 64.50 H new ATOM 0 HE2 TYR A 135 18.588 -19.435 3.565 1.00 4.12 H new ATOM 0 HH TYR A 135 19.698 -19.961 0.737 1.00 34.25 H new ATOM 2012 N ASN A 136 24.044 -14.543 6.590 1.00 31.34 N ATOM 2013 CA ASN A 136 24.905 -13.370 6.499 1.00 51.34 C ATOM 2014 C ASN A 136 26.255 -13.632 7.160 1.00 74.23 C ATOM 2015 O ASN A 136 26.574 -14.768 7.511 1.00 22.23 O ATOM 2016 CB ASN A 136 24.229 -12.163 7.154 1.00 65.32 C ATOM 2017 CG ASN A 136 24.502 -10.872 6.407 1.00 3.22 C ATOM 2018 OD1 ASN A 136 24.936 -9.881 6.996 1.00 62.43 O ATOM 2019 ND2 ASN A 136 24.248 -10.877 5.104 1.00 61.12 N ATOM 0 H ASN A 136 23.522 -14.616 7.463 1.00 31.34 H new ATOM 0 HA ASN A 136 25.073 -13.155 5.444 1.00 51.34 H new ATOM 0 HB2 ASN A 136 23.153 -12.333 7.199 1.00 65.32 H new ATOM 0 HB3 ASN A 136 24.580 -12.066 8.181 1.00 65.32 H new ATOM 0 HD21 ASN A 136 24.412 -10.037 4.549 1.00 61.12 H new ATOM 0 HD22 ASN A 136 23.889 -11.721 4.658 1.00 61.12 H new ATOM 2026 N ILE A 137 27.041 -12.575 7.326 1.00 44.42 N ATOM 2027 CA ILE A 137 28.355 -12.690 7.946 1.00 24.51 C ATOM 2028 C ILE A 137 28.255 -12.608 9.466 1.00 42.25 C ATOM 2029 O ILE A 137 28.524 -11.564 10.061 1.00 75.11 O ATOM 2030 CB ILE A 137 29.313 -11.593 7.446 1.00 60.14 C ATOM 2031 CG1 ILE A 137 29.394 -11.615 5.918 1.00 45.31 C ATOM 2032 CG2 ILE A 137 30.694 -11.776 8.058 1.00 52.53 C ATOM 2033 CD1 ILE A 137 29.908 -12.923 5.359 1.00 74.24 C ATOM 0 H ILE A 137 26.791 -11.628 7.040 1.00 44.42 H new ATOM 0 HA ILE A 137 28.753 -13.664 7.662 1.00 24.51 H new ATOM 0 HB ILE A 137 28.925 -10.623 7.757 1.00 60.14 H new ATOM 0 HG12 ILE A 137 28.404 -11.418 5.507 1.00 45.31 H new ATOM 0 HG13 ILE A 137 30.045 -10.806 5.585 1.00 45.31 H new ATOM 0 HG21 ILE A 137 31.360 -10.993 7.695 1.00 52.53 H new ATOM 0 HG22 ILE A 137 30.622 -11.716 9.144 1.00 52.53 H new ATOM 0 HG23 ILE A 137 31.091 -12.750 7.774 1.00 52.53 H new ATOM 0 HD11 ILE A 137 29.939 -12.867 4.271 1.00 74.24 H new ATOM 0 HD12 ILE A 137 30.911 -13.113 5.741 1.00 74.24 H new ATOM 0 HD13 ILE A 137 29.245 -13.734 5.662 1.00 74.24 H new ATOM 2045 N LYS A 138 27.869 -13.716 10.089 1.00 54.15 N ATOM 2046 CA LYS A 138 27.736 -13.772 11.539 1.00 14.35 C ATOM 2047 C LYS A 138 29.008 -13.280 12.222 1.00 51.32 C ATOM 2048 O LYS A 138 28.953 -12.643 13.274 1.00 71.43 O ATOM 2049 CB LYS A 138 27.423 -15.201 11.989 1.00 42.11 C ATOM 2050 CG LYS A 138 28.437 -16.225 11.509 1.00 5.35 C ATOM 2051 CD LYS A 138 29.294 -16.739 12.654 1.00 22.20 C ATOM 2052 CE LYS A 138 30.001 -18.034 12.283 1.00 40.11 C ATOM 2053 NZ LYS A 138 29.229 -19.231 12.716 1.00 30.33 N ATOM 0 H LYS A 138 27.643 -14.588 9.611 1.00 54.15 H new ATOM 0 HA LYS A 138 26.913 -13.118 11.828 1.00 14.35 H new ATOM 0 HB2 LYS A 138 27.378 -15.229 13.078 1.00 42.11 H new ATOM 0 HB3 LYS A 138 26.435 -15.480 11.622 1.00 42.11 H new ATOM 0 HG2 LYS A 138 27.918 -17.060 11.039 1.00 5.35 H new ATOM 0 HG3 LYS A 138 29.076 -15.777 10.748 1.00 5.35 H new ATOM 0 HD2 LYS A 138 30.033 -15.984 12.924 1.00 22.20 H new ATOM 0 HD3 LYS A 138 28.670 -16.903 13.532 1.00 22.20 H new ATOM 0 HE2 LYS A 138 30.151 -18.070 11.204 1.00 40.11 H new ATOM 0 HE3 LYS A 138 30.989 -18.053 12.743 1.00 40.11 H new ATOM 0 HZ1 LYS A 138 29.744 -20.093 12.445 1.00 30.33 H new ATOM 0 HZ2 LYS A 138 29.107 -19.211 13.749 1.00 30.33 H new ATOM 0 HZ3 LYS A 138 28.296 -19.227 12.257 1.00 30.33 H new