USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 796 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 91 LYS NZ :NH3+ -142:sc= -0.0269 (180deg=-0.671) USER MOD Set 1.2: A 117 CYS SG : rot 174:sc= -0.0208 USER MOD Set 2.1: A 40 GLN : amide:sc= 0.827 K(o=1.1,f=-0.28) USER MOD Set 2.2: A 50 GLN :FLIP amide:sc= 0.223 F(o=0.34,f=1.1) USER MOD Set 3.1: A 3 HIS : no HE2:sc= 0.277 K(o=0.28,f=-1.7) USER MOD Set 3.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 8 SER OG : rot 180:sc= -0.0104 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 32 GLN : amide:sc= -2.11 K(o=-2.1,f=-4.4!) USER MOD Single : A 39 HIS : no HE2:sc= 0.326 K(o=0.33,f=-1.8) USER MOD Single : A 45 CYS SG : rot 180:sc= 0.0169 USER MOD Single : A 48 SER OG : rot -100:sc= 0.848 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0519 USER MOD Single : A 55 HIS : no HD1:sc= -0.0507 X(o=-0.051,f=-0.42) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -144:sc= -0.0195 (180deg=-0.711) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.052 USER MOD Single : A 96 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0138) USER MOD Single : A 98 GLN : amide:sc= -0.742 X(o=-0.74,f=-0.34) USER MOD Single : A 99 ASN : amide:sc= 0.316 K(o=0.32,f=-6.1!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 177:sc= -0.579 (180deg=-0.598) USER MOD Single : A 119 ASN : amide:sc= 0.86 K(o=0.86,f=-4.2!) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.721 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0.765 USER MOD Single : A 129 ASN : amide:sc= -0.0304 X(o=-0.03,f=0) USER MOD Single : A 134 THR OG1 : rot -50:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 34 N HIS A 3 45.942 95.086 12.060 1.00 75.42 N ATOM 35 CA HIS A 3 45.737 93.840 12.789 1.00 41.44 C ATOM 36 C HIS A 3 45.383 92.703 11.824 1.00 64.33 C ATOM 37 O HIS A 3 44.292 92.138 11.876 1.00 3.42 O ATOM 38 CB HIS A 3 44.714 94.037 13.921 1.00 35.23 C ATOM 39 CG HIS A 3 44.704 92.913 14.929 1.00 20.21 C ATOM 40 ND1 HIS A 3 44.237 91.641 14.633 1.00 54.22 N ATOM 41 CD2 HIS A 3 45.102 92.849 16.244 1.00 0.22 C ATOM 42 CE1 HIS A 3 44.371 90.892 15.740 1.00 10.22 C ATOM 43 NE2 HIS A 3 44.896 91.574 16.761 1.00 72.22 N ATOM 0 HA HIS A 3 46.667 93.543 13.274 1.00 41.44 H new ATOM 0 HB2 HIS A 3 44.930 94.973 14.436 1.00 35.23 H new ATOM 0 HB3 HIS A 3 43.719 94.134 13.487 1.00 35.23 H new ATOM 0 HD1 HIS A 3 43.860 91.331 13.737 1.00 54.22 H new ATOM 0 HD2 HIS A 3 45.518 93.676 16.800 1.00 0.22 H new ATOM 0 HE1 HIS A 3 44.085 89.852 15.798 1.00 10.22 H new ATOM 51 N ASN A 4 46.331 92.362 10.943 1.00 12.43 N ATOM 52 CA ASN A 4 46.205 91.229 10.039 1.00 55.31 C ATOM 53 C ASN A 4 46.463 89.949 10.832 1.00 11.23 C ATOM 54 O ASN A 4 47.497 89.832 11.489 1.00 71.31 O ATOM 55 CB ASN A 4 47.200 91.369 8.879 1.00 54.40 C ATOM 56 CG ASN A 4 46.944 92.612 8.025 1.00 4.20 C ATOM 57 OD1 ASN A 4 45.828 93.123 7.968 1.00 51.21 O ATOM 58 ND2 ASN A 4 47.986 93.109 7.355 1.00 61.04 N ATOM 0 H ASN A 4 47.209 92.871 10.842 1.00 12.43 H new ATOM 0 HA ASN A 4 45.203 91.193 9.612 1.00 55.31 H new ATOM 0 HB2 ASN A 4 48.213 91.411 9.279 1.00 54.40 H new ATOM 0 HB3 ASN A 4 47.142 90.482 8.248 1.00 54.40 H new ATOM 0 HD21 ASN A 4 47.869 93.938 6.773 1.00 61.04 H new ATOM 0 HD22 ASN A 4 48.899 92.659 7.425 1.00 61.04 H new ATOM 65 N SER A 5 45.518 89.005 10.792 1.00 74.41 N ATOM 66 CA SER A 5 45.574 87.774 11.567 1.00 2.03 C ATOM 67 C SER A 5 44.734 86.692 10.886 1.00 74.30 C ATOM 68 O SER A 5 43.649 86.979 10.383 1.00 60.33 O ATOM 69 CB SER A 5 45.084 88.043 12.996 1.00 64.52 C ATOM 70 OG SER A 5 43.814 88.666 12.985 1.00 54.21 O ATOM 0 H SER A 5 44.683 89.081 10.211 1.00 74.41 H new ATOM 0 HA SER A 5 46.603 87.418 11.619 1.00 2.03 H new ATOM 0 HB2 SER A 5 45.029 87.105 13.548 1.00 64.52 H new ATOM 0 HB3 SER A 5 45.801 88.678 13.517 1.00 64.52 H new ATOM 0 HG SER A 5 43.521 88.827 13.906 1.00 54.21 H new ATOM 76 N ILE A 6 45.246 85.457 10.874 1.00 31.11 N ATOM 77 CA ILE A 6 44.617 84.295 10.257 1.00 2.42 C ATOM 78 C ILE A 6 45.122 83.032 10.962 1.00 45.44 C ATOM 79 O ILE A 6 46.209 83.042 11.540 1.00 55.12 O ATOM 80 CB ILE A 6 44.896 84.286 8.739 1.00 3.33 C ATOM 81 CG1 ILE A 6 44.091 83.174 8.039 1.00 41.24 C ATOM 82 CG2 ILE A 6 46.398 84.155 8.435 1.00 10.13 C ATOM 83 CD1 ILE A 6 44.067 83.328 6.516 1.00 43.12 C ATOM 0 H ILE A 6 46.141 85.236 11.310 1.00 31.11 H new ATOM 0 HA ILE A 6 43.534 84.333 10.372 1.00 2.42 H new ATOM 0 HB ILE A 6 44.568 85.246 8.341 1.00 3.33 H new ATOM 0 HG12 ILE A 6 44.520 82.205 8.295 1.00 41.24 H new ATOM 0 HG13 ILE A 6 43.068 83.180 8.416 1.00 41.24 H new ATOM 0 HG21 ILE A 6 46.552 84.153 7.356 1.00 10.13 H new ATOM 0 HG22 ILE A 6 46.933 84.996 8.876 1.00 10.13 H new ATOM 0 HG23 ILE A 6 46.775 83.223 8.857 1.00 10.13 H new ATOM 0 HD11 ILE A 6 43.486 82.517 6.077 1.00 43.12 H new ATOM 0 HD12 ILE A 6 43.612 84.283 6.254 1.00 43.12 H new ATOM 0 HD13 ILE A 6 45.086 83.294 6.131 1.00 43.12 H new ATOM 95 N ARG A 7 44.323 81.958 10.929 1.00 31.33 N ATOM 96 CA ARG A 7 44.643 80.670 11.531 1.00 13.42 C ATOM 97 C ARG A 7 44.329 79.553 10.538 1.00 1.31 C ATOM 98 O ARG A 7 43.339 79.629 9.808 1.00 13.00 O ATOM 99 CB ARG A 7 43.830 80.471 12.817 1.00 73.55 C ATOM 100 CG ARG A 7 44.192 81.501 13.895 1.00 51.15 C ATOM 101 CD ARG A 7 43.399 81.261 15.184 1.00 51.43 C ATOM 102 NE ARG A 7 43.739 79.972 15.802 1.00 30.25 N ATOM 103 CZ ARG A 7 43.121 79.450 16.875 1.00 51.41 C ATOM 104 NH1 ARG A 7 42.122 80.108 17.478 1.00 24.12 N ATOM 105 NH2 ARG A 7 43.511 78.257 17.347 1.00 64.14 N ATOM 0 H ARG A 7 43.413 81.968 10.469 1.00 31.33 H new ATOM 0 HA ARG A 7 45.704 80.645 11.781 1.00 13.42 H new ATOM 0 HB2 ARG A 7 42.767 80.545 12.588 1.00 73.55 H new ATOM 0 HB3 ARG A 7 44.004 79.467 13.203 1.00 73.55 H new ATOM 0 HG2 ARG A 7 45.260 81.448 14.107 1.00 51.15 H new ATOM 0 HG3 ARG A 7 43.990 82.506 13.523 1.00 51.15 H new ATOM 0 HD2 ARG A 7 43.600 82.067 15.890 1.00 51.43 H new ATOM 0 HD3 ARG A 7 42.332 81.289 14.965 1.00 51.43 H new ATOM 0 HE ARG A 7 44.500 79.434 15.386 1.00 30.25 H new ATOM 0 HH11 ARG A 7 41.822 81.016 17.123 1.00 24.12 H new ATOM 0 HH12 ARG A 7 41.661 79.701 18.292 1.00 24.12 H new ATOM 0 HH21 ARG A 7 44.272 77.752 16.892 1.00 64.14 H new ATOM 0 HH22 ARG A 7 43.047 77.854 18.161 1.00 64.14 H new ATOM 119 N SER A 8 45.168 78.510 10.526 1.00 74.02 N ATOM 120 CA SER A 8 44.980 77.308 9.726 1.00 61.34 C ATOM 121 C SER A 8 45.692 76.142 10.415 1.00 14.34 C ATOM 122 O SER A 8 46.672 76.350 11.129 1.00 22.21 O ATOM 123 CB SER A 8 45.530 77.511 8.309 1.00 10.55 C ATOM 124 OG SER A 8 44.919 78.617 7.676 1.00 52.51 O ATOM 0 H SER A 8 46.017 78.485 11.090 1.00 74.02 H new ATOM 0 HA SER A 8 43.916 77.089 9.641 1.00 61.34 H new ATOM 0 HB2 SER A 8 46.608 77.664 8.353 1.00 10.55 H new ATOM 0 HB3 SER A 8 45.360 76.611 7.718 1.00 10.55 H new ATOM 0 HG SER A 8 45.290 78.724 6.775 1.00 52.51 H new ATOM 130 N GLY A 9 45.191 74.920 10.205 1.00 54.43 N ATOM 131 CA GLY A 9 45.735 73.715 10.816 1.00 42.12 C ATOM 132 C GLY A 9 44.694 72.607 10.726 1.00 71.53 C ATOM 133 O GLY A 9 44.002 72.329 11.704 1.00 62.35 O ATOM 0 H GLY A 9 44.389 74.744 9.600 1.00 54.43 H new ATOM 0 HA2 GLY A 9 46.651 73.414 10.308 1.00 42.12 H new ATOM 0 HA3 GLY A 9 45.996 73.904 11.857 1.00 42.12 H new ATOM 137 N HIS A 10 44.562 72.015 9.534 1.00 62.41 N ATOM 138 CA HIS A 10 43.460 71.132 9.175 1.00 75.41 C ATOM 139 C HIS A 10 43.992 69.726 8.900 1.00 53.23 C ATOM 140 O HIS A 10 44.886 69.554 8.073 1.00 24.50 O ATOM 141 CB HIS A 10 42.743 71.715 7.950 1.00 3.12 C ATOM 142 CG HIS A 10 42.401 73.176 8.115 1.00 45.12 C ATOM 143 ND1 HIS A 10 42.750 74.134 7.173 1.00 25.30 N ATOM 144 CD2 HIS A 10 41.814 73.878 9.141 1.00 35.42 C ATOM 145 CE1 HIS A 10 42.375 75.329 7.660 1.00 31.21 C ATOM 146 NE2 HIS A 10 41.809 75.241 8.865 1.00 25.14 N ATOM 0 H HIS A 10 45.236 72.143 8.779 1.00 62.41 H new ATOM 0 HA HIS A 10 42.746 71.058 9.995 1.00 75.41 H new ATOM 0 HB2 HIS A 10 43.376 71.591 7.071 1.00 3.12 H new ATOM 0 HB3 HIS A 10 41.829 71.151 7.767 1.00 3.12 H new ATOM 0 HD2 HIS A 10 41.412 73.432 10.039 1.00 35.42 H new ATOM 0 HE1 HIS A 10 42.517 76.261 7.133 1.00 31.21 H new ATOM 0 HE2 HIS A 10 41.455 75.998 9.449 1.00 25.14 H new ATOM 154 N GLY A 11 43.447 68.724 9.599 1.00 71.51 N ATOM 155 CA GLY A 11 43.844 67.333 9.457 1.00 53.44 C ATOM 156 C GLY A 11 43.072 66.455 10.441 1.00 11.44 C ATOM 157 O GLY A 11 42.314 66.961 11.268 1.00 34.13 O ATOM 0 H GLY A 11 42.708 68.867 10.287 1.00 71.51 H new ATOM 0 HA2 GLY A 11 43.658 66.997 8.437 1.00 53.44 H new ATOM 0 HA3 GLY A 11 44.915 67.234 9.634 1.00 53.44 H new ATOM 161 N GLY A 12 43.269 65.135 10.347 1.00 74.33 N ATOM 162 CA GLY A 12 42.624 64.165 11.217 1.00 30.24 C ATOM 163 C GLY A 12 43.060 62.748 10.847 1.00 53.00 C ATOM 164 O GLY A 12 43.468 62.502 9.713 1.00 31.32 O ATOM 0 H GLY A 12 43.889 64.713 9.655 1.00 74.33 H new ATOM 0 HA2 GLY A 12 42.880 64.372 12.256 1.00 30.24 H new ATOM 0 HA3 GLY A 12 41.541 64.253 11.132 1.00 30.24 H new ATOM 168 N LEU A 13 42.985 61.829 11.819 1.00 42.31 N ATOM 169 CA LEU A 13 43.334 60.422 11.668 1.00 54.44 C ATOM 170 C LEU A 13 42.250 59.564 12.328 1.00 51.44 C ATOM 171 O LEU A 13 41.446 60.071 13.110 1.00 52.14 O ATOM 172 CB LEU A 13 44.706 60.124 12.300 1.00 51.00 C ATOM 173 CG LEU A 13 45.880 60.868 11.637 1.00 5.22 C ATOM 174 CD1 LEU A 13 46.198 62.194 12.343 1.00 11.25 C ATOM 175 CD2 LEU A 13 47.138 59.991 11.684 1.00 0.14 C ATOM 0 H LEU A 13 42.668 62.059 12.761 1.00 42.31 H new ATOM 0 HA LEU A 13 43.397 60.184 10.606 1.00 54.44 H new ATOM 0 HB2 LEU A 13 44.672 60.389 13.357 1.00 51.00 H new ATOM 0 HB3 LEU A 13 44.893 59.052 12.246 1.00 51.00 H new ATOM 0 HG LEU A 13 45.585 61.081 10.610 1.00 5.22 H new ATOM 0 HD11 LEU A 13 47.032 62.683 11.840 1.00 11.25 H new ATOM 0 HD12 LEU A 13 45.323 62.843 12.309 1.00 11.25 H new ATOM 0 HD13 LEU A 13 46.464 61.998 13.382 1.00 11.25 H new ATOM 0 HD21 LEU A 13 47.968 60.519 11.214 1.00 0.14 H new ATOM 0 HD22 LEU A 13 47.389 59.770 12.721 1.00 0.14 H new ATOM 0 HD23 LEU A 13 46.952 59.059 11.150 1.00 0.14 H new ATOM 187 N ASN A 14 42.232 58.265 12.009 1.00 74.43 N ATOM 188 CA ASN A 14 41.275 57.306 12.544 1.00 75.41 C ATOM 189 C ASN A 14 41.858 55.892 12.494 1.00 21.31 C ATOM 190 O ASN A 14 42.798 55.631 11.743 1.00 51.22 O ATOM 191 CB ASN A 14 39.954 57.384 11.765 1.00 72.25 C ATOM 192 CG ASN A 14 40.095 56.886 10.328 1.00 0.10 C ATOM 193 OD1 ASN A 14 39.775 55.738 10.033 1.00 71.35 O ATOM 194 ND2 ASN A 14 40.571 57.749 9.426 1.00 44.24 N ATOM 0 H ASN A 14 42.898 57.849 11.358 1.00 74.43 H new ATOM 0 HA ASN A 14 41.071 57.553 13.586 1.00 75.41 H new ATOM 0 HB2 ASN A 14 39.197 56.792 12.279 1.00 72.25 H new ATOM 0 HB3 ASN A 14 39.601 58.415 11.756 1.00 72.25 H new ATOM 0 HD21 ASN A 14 40.679 57.462 8.453 1.00 44.24 H new ATOM 0 HD22 ASN A 14 40.826 58.695 9.710 1.00 44.24 H new ATOM 201 N GLN A 15 41.283 54.989 13.296 1.00 53.14 N ATOM 202 CA GLN A 15 41.646 53.580 13.374 1.00 12.15 C ATOM 203 C GLN A 15 40.527 52.823 14.094 1.00 5.11 C ATOM 204 O GLN A 15 39.654 53.444 14.699 1.00 44.43 O ATOM 205 CB GLN A 15 43.001 53.403 14.080 1.00 51.45 C ATOM 206 CG GLN A 15 43.007 53.969 15.509 1.00 75.35 C ATOM 207 CD GLN A 15 44.350 53.766 16.211 1.00 22.13 C ATOM 208 OE1 GLN A 15 45.263 53.145 15.670 1.00 54.24 O ATOM 209 NE2 GLN A 15 44.474 54.293 17.430 1.00 11.32 N ATOM 0 H GLN A 15 40.523 55.235 13.931 1.00 53.14 H new ATOM 0 HA GLN A 15 41.760 53.170 12.370 1.00 12.15 H new ATOM 0 HB2 GLN A 15 43.252 52.343 14.113 1.00 51.45 H new ATOM 0 HB3 GLN A 15 43.777 53.897 13.495 1.00 51.45 H new ATOM 0 HG2 GLN A 15 42.775 55.033 15.476 1.00 75.35 H new ATOM 0 HG3 GLN A 15 42.220 53.489 16.090 1.00 75.35 H new ATOM 0 HE21 GLN A 15 43.695 54.802 17.847 1.00 11.32 H new ATOM 0 HE22 GLN A 15 45.348 54.187 17.945 1.00 11.32 H new ATOM 218 N LEU A 16 40.555 51.485 14.029 1.00 3.43 N ATOM 219 CA LEU A 16 39.546 50.628 14.649 1.00 22.21 C ATOM 220 C LEU A 16 40.080 49.270 15.118 1.00 32.05 C ATOM 221 O LEU A 16 39.350 48.526 15.770 1.00 3.23 O ATOM 222 CB LEU A 16 38.327 50.474 13.722 1.00 42.20 C ATOM 223 CG LEU A 16 38.503 49.501 12.540 1.00 74.21 C ATOM 224 CD1 LEU A 16 37.187 49.442 11.756 1.00 72.43 C ATOM 225 CD2 LEU A 16 39.632 49.904 11.582 1.00 72.12 C ATOM 0 H LEU A 16 41.285 50.967 13.540 1.00 3.43 H new ATOM 0 HA LEU A 16 39.233 51.135 15.562 1.00 22.21 H new ATOM 0 HB2 LEU A 16 37.479 50.140 14.320 1.00 42.20 H new ATOM 0 HB3 LEU A 16 38.070 51.456 13.325 1.00 42.20 H new ATOM 0 HG LEU A 16 38.772 48.531 12.958 1.00 74.21 H new ATOM 0 HD11 LEU A 16 37.295 48.757 10.915 1.00 72.43 H new ATOM 0 HD12 LEU A 16 36.389 49.091 12.410 1.00 72.43 H new ATOM 0 HD13 LEU A 16 36.940 50.436 11.384 1.00 72.43 H new ATOM 0 HD21 LEU A 16 39.701 49.176 10.774 1.00 72.12 H new ATOM 0 HD22 LEU A 16 39.422 50.889 11.166 1.00 72.12 H new ATOM 0 HD23 LEU A 16 40.577 49.933 12.125 1.00 72.12 H new ATOM 375 N PRO A 27 35.380 32.564 21.049 1.00 52.22 N ATOM 376 CA PRO A 27 33.946 32.415 20.848 1.00 2.15 C ATOM 377 C PRO A 27 33.664 32.021 19.389 1.00 3.45 C ATOM 378 O PRO A 27 34.568 31.621 18.655 1.00 2.54 O ATOM 379 CB PRO A 27 33.368 33.785 21.220 1.00 2.44 C ATOM 380 CG PRO A 27 34.452 34.742 20.731 1.00 35.43 C ATOM 381 CD PRO A 27 35.740 33.975 21.039 1.00 2.41 C ATOM 0 HA PRO A 27 33.494 31.628 21.452 1.00 2.15 H new ATOM 0 HB2 PRO A 27 32.412 33.969 20.730 1.00 2.44 H new ATOM 0 HB3 PRO A 27 33.199 33.877 22.293 1.00 2.44 H new ATOM 0 HG2 PRO A 27 34.353 34.957 19.667 1.00 35.43 H new ATOM 0 HG3 PRO A 27 34.415 35.698 21.254 1.00 35.43 H new ATOM 0 HD2 PRO A 27 36.503 34.177 20.287 1.00 2.41 H new ATOM 0 HD3 PRO A 27 36.153 34.278 22.001 1.00 2.41 H new ATOM 389 N GLU A 28 32.402 32.152 18.960 1.00 2.05 N ATOM 390 CA GLU A 28 31.944 31.770 17.629 1.00 43.01 C ATOM 391 C GLU A 28 32.555 32.617 16.501 1.00 71.25 C ATOM 392 O GLU A 28 32.398 32.275 15.332 1.00 63.44 O ATOM 393 CB GLU A 28 30.409 31.766 17.625 1.00 44.03 C ATOM 394 CG GLU A 28 29.818 30.992 16.438 1.00 61.30 C ATOM 395 CD GLU A 28 28.352 30.656 16.681 1.00 74.11 C ATOM 396 OE1 GLU A 28 28.117 29.652 17.389 1.00 13.33 O ATOM 397 OE2 GLU A 28 27.498 31.406 16.164 1.00 2.14 O ATOM 0 H GLU A 28 31.660 32.535 19.545 1.00 2.05 H new ATOM 0 HA GLU A 28 32.302 30.764 17.410 1.00 43.01 H new ATOM 0 HB2 GLU A 28 30.049 31.326 18.555 1.00 44.03 H new ATOM 0 HB3 GLU A 28 30.048 32.794 17.598 1.00 44.03 H new ATOM 0 HG2 GLU A 28 29.913 31.586 15.529 1.00 61.30 H new ATOM 0 HG3 GLU A 28 30.384 30.074 16.280 1.00 61.30 H new ATOM 404 N VAL A 29 33.313 33.675 16.826 1.00 54.33 N ATOM 405 CA VAL A 29 34.147 34.375 15.853 1.00 21.43 C ATOM 406 C VAL A 29 35.109 33.399 15.158 1.00 4.10 C ATOM 407 O VAL A 29 35.380 33.544 13.969 1.00 50.22 O ATOM 408 CB VAL A 29 34.890 35.540 16.536 1.00 0.41 C ATOM 409 CG1 VAL A 29 36.063 35.062 17.403 1.00 64.32 C ATOM 410 CG2 VAL A 29 35.402 36.549 15.501 1.00 51.03 C ATOM 0 H VAL A 29 33.361 34.064 17.768 1.00 54.33 H new ATOM 0 HA VAL A 29 33.512 34.799 15.076 1.00 21.43 H new ATOM 0 HB VAL A 29 34.163 36.023 17.189 1.00 0.41 H new ATOM 0 HG11 VAL A 29 36.551 35.922 17.861 1.00 64.32 H new ATOM 0 HG12 VAL A 29 35.692 34.398 18.184 1.00 64.32 H new ATOM 0 HG13 VAL A 29 36.780 34.526 16.781 1.00 64.32 H new ATOM 0 HG21 VAL A 29 35.922 37.360 16.010 1.00 51.03 H new ATOM 0 HG22 VAL A 29 36.089 36.051 14.816 1.00 51.03 H new ATOM 0 HG23 VAL A 29 34.560 36.954 14.940 1.00 51.03 H new ATOM 420 N VAL A 30 35.598 32.390 15.893 1.00 63.01 N ATOM 421 CA VAL A 30 36.461 31.343 15.362 1.00 62.15 C ATOM 422 C VAL A 30 35.752 30.570 14.240 1.00 3.31 C ATOM 423 O VAL A 30 36.396 30.188 13.265 1.00 44.10 O ATOM 424 CB VAL A 30 36.946 30.434 16.503 1.00 3.22 C ATOM 425 CG1 VAL A 30 37.799 29.268 15.982 1.00 4.41 C ATOM 426 CG2 VAL A 30 37.796 31.243 17.492 1.00 63.53 C ATOM 0 H VAL A 30 35.398 32.283 16.887 1.00 63.01 H new ATOM 0 HA VAL A 30 37.345 31.793 14.911 1.00 62.15 H new ATOM 0 HB VAL A 30 36.058 30.032 16.992 1.00 3.22 H new ATOM 0 HG11 VAL A 30 38.121 28.650 16.820 1.00 4.41 H new ATOM 0 HG12 VAL A 30 37.208 28.665 15.293 1.00 4.41 H new ATOM 0 HG13 VAL A 30 38.674 29.660 15.463 1.00 4.41 H new ATOM 0 HG21 VAL A 30 38.136 30.592 18.297 1.00 63.53 H new ATOM 0 HG22 VAL A 30 38.660 31.660 16.974 1.00 63.53 H new ATOM 0 HG23 VAL A 30 37.197 32.053 17.909 1.00 63.53 H new ATOM 436 N ARG A 31 34.432 30.369 14.359 1.00 13.11 N ATOM 437 CA ARG A 31 33.614 29.702 13.353 1.00 53.24 C ATOM 438 C ARG A 31 33.786 30.427 12.013 1.00 22.34 C ATOM 439 O ARG A 31 34.298 29.849 11.056 1.00 43.34 O ATOM 440 CB ARG A 31 32.144 29.685 13.814 1.00 65.21 C ATOM 441 CG ARG A 31 31.290 28.527 13.282 1.00 51.23 C ATOM 442 CD ARG A 31 31.167 28.449 11.756 1.00 1.45 C ATOM 443 NE ARG A 31 32.342 27.821 11.136 1.00 50.21 N ATOM 444 CZ ARG A 31 32.663 26.517 11.205 1.00 41.24 C ATOM 445 NH1 ARG A 31 31.863 25.646 11.836 1.00 2.31 N ATOM 446 NH2 ARG A 31 33.800 26.085 10.645 1.00 42.24 N ATOM 0 H ARG A 31 33.900 30.673 15.174 1.00 13.11 H new ATOM 0 HA ARG A 31 33.930 28.667 13.223 1.00 53.24 H new ATOM 0 HB2 ARG A 31 32.125 29.655 14.903 1.00 65.21 H new ATOM 0 HB3 ARG A 31 31.678 30.623 13.513 1.00 65.21 H new ATOM 0 HG2 ARG A 31 31.713 27.590 13.644 1.00 51.23 H new ATOM 0 HG3 ARG A 31 30.290 28.611 13.707 1.00 51.23 H new ATOM 0 HD2 ARG A 31 30.273 27.882 11.494 1.00 1.45 H new ATOM 0 HD3 ARG A 31 31.038 29.453 11.352 1.00 1.45 H new ATOM 0 HE ARG A 31 32.969 28.427 10.607 1.00 50.21 H new ATOM 0 HH11 ARG A 31 30.999 25.970 12.271 1.00 2.31 H new ATOM 0 HH12 ARG A 31 32.118 24.659 11.881 1.00 2.31 H new ATOM 0 HH21 ARG A 31 34.417 26.744 10.170 1.00 42.24 H new ATOM 0 HH22 ARG A 31 34.049 25.097 10.694 1.00 42.24 H new ATOM 460 N GLN A 32 33.381 31.702 11.946 1.00 1.32 N ATOM 461 CA GLN A 32 33.449 32.487 10.724 1.00 52.21 C ATOM 462 C GLN A 32 34.896 32.734 10.286 1.00 53.15 C ATOM 463 O GLN A 32 35.144 32.869 9.093 1.00 54.43 O ATOM 464 CB GLN A 32 32.595 33.763 10.841 1.00 72.13 C ATOM 465 CG GLN A 32 33.278 34.989 11.472 1.00 15.44 C ATOM 466 CD GLN A 32 34.314 35.683 10.594 1.00 63.15 C ATOM 467 OE1 GLN A 32 35.336 36.153 11.090 1.00 51.23 O ATOM 468 NE2 GLN A 32 34.074 35.747 9.290 1.00 31.12 N ATOM 0 H GLN A 32 32.998 32.211 12.743 1.00 1.32 H new ATOM 0 HA GLN A 32 33.007 31.908 9.913 1.00 52.21 H new ATOM 0 HB2 GLN A 32 32.254 34.038 9.843 1.00 72.13 H new ATOM 0 HB3 GLN A 32 31.707 33.527 11.428 1.00 72.13 H new ATOM 0 HG2 GLN A 32 32.510 35.714 11.741 1.00 15.44 H new ATOM 0 HG3 GLN A 32 33.761 34.678 12.398 1.00 15.44 H new ATOM 0 HE21 GLN A 32 33.216 35.347 8.909 1.00 31.12 H new ATOM 0 HE22 GLN A 32 34.747 36.196 8.669 1.00 31.12 H new ATOM 477 N ARG A 33 35.856 32.779 11.220 1.00 70.04 N ATOM 478 CA ARG A 33 37.264 32.928 10.870 1.00 34.14 C ATOM 479 C ARG A 33 37.742 31.771 10.000 1.00 2.45 C ATOM 480 O ARG A 33 38.413 32.019 9.005 1.00 1.12 O ATOM 481 CB ARG A 33 38.144 33.083 12.116 1.00 54.30 C ATOM 482 CG ARG A 33 38.129 34.529 12.629 1.00 23.44 C ATOM 483 CD ARG A 33 39.328 35.361 12.146 1.00 60.15 C ATOM 484 NE ARG A 33 39.674 35.156 10.729 1.00 51.13 N ATOM 485 CZ ARG A 33 39.094 35.739 9.666 1.00 71.14 C ATOM 486 NH1 ARG A 33 37.987 36.484 9.785 1.00 11.21 N ATOM 487 NH2 ARG A 33 39.625 35.562 8.449 1.00 42.14 N ATOM 0 H ARG A 33 35.677 32.714 12.222 1.00 70.04 H new ATOM 0 HA ARG A 33 37.358 33.845 10.288 1.00 34.14 H new ATOM 0 HB2 ARG A 33 37.791 32.413 12.900 1.00 54.30 H new ATOM 0 HB3 ARG A 33 39.167 32.788 11.881 1.00 54.30 H new ATOM 0 HG2 ARG A 33 37.207 35.012 12.305 1.00 23.44 H new ATOM 0 HG3 ARG A 33 38.118 34.520 13.719 1.00 23.44 H new ATOM 0 HD2 ARG A 33 39.111 36.417 12.306 1.00 60.15 H new ATOM 0 HD3 ARG A 33 40.196 35.117 12.759 1.00 60.15 H new ATOM 0 HE ARG A 33 40.433 34.503 10.534 1.00 51.13 H new ATOM 0 HH11 ARG A 33 37.561 36.622 10.701 1.00 11.21 H new ATOM 0 HH12 ARG A 33 37.570 36.914 8.959 1.00 11.21 H new ATOM 0 HH21 ARG A 33 40.461 34.989 8.336 1.00 42.14 H new ATOM 0 HH22 ARG A 33 39.193 36.000 7.635 1.00 42.14 H new ATOM 501 N ILE A 34 37.385 30.525 10.339 1.00 5.23 N ATOM 502 CA ILE A 34 37.690 29.365 9.505 1.00 53.23 C ATOM 503 C ILE A 34 37.166 29.596 8.083 1.00 72.52 C ATOM 504 O ILE A 34 37.905 29.410 7.118 1.00 21.43 O ATOM 505 CB ILE A 34 37.092 28.087 10.128 1.00 13.24 C ATOM 506 CG1 ILE A 34 37.764 27.759 11.474 1.00 33.05 C ATOM 507 CG2 ILE A 34 37.221 26.892 9.172 1.00 22.43 C ATOM 508 CD1 ILE A 34 36.851 26.909 12.364 1.00 53.43 C ATOM 0 H ILE A 34 36.879 30.298 11.195 1.00 5.23 H new ATOM 0 HA ILE A 34 38.770 29.231 9.451 1.00 53.23 H new ATOM 0 HB ILE A 34 36.033 28.276 10.305 1.00 13.24 H new ATOM 0 HG12 ILE A 34 38.698 27.227 11.295 1.00 33.05 H new ATOM 0 HG13 ILE A 34 38.018 28.685 11.990 1.00 33.05 H new ATOM 0 HG21 ILE A 34 36.791 26.005 9.638 1.00 22.43 H new ATOM 0 HG22 ILE A 34 36.690 27.109 8.245 1.00 22.43 H new ATOM 0 HG23 ILE A 34 38.274 26.713 8.954 1.00 22.43 H new ATOM 0 HD11 ILE A 34 37.357 26.696 13.306 1.00 53.43 H new ATOM 0 HD12 ILE A 34 35.928 27.453 12.563 1.00 53.43 H new ATOM 0 HD13 ILE A 34 36.618 25.972 11.857 1.00 53.43 H new ATOM 520 N VAL A 35 35.899 30.014 7.970 1.00 71.44 N ATOM 521 CA VAL A 35 35.218 30.231 6.701 1.00 10.33 C ATOM 522 C VAL A 35 35.965 31.286 5.879 1.00 12.34 C ATOM 523 O VAL A 35 36.473 30.980 4.805 1.00 74.21 O ATOM 524 CB VAL A 35 33.747 30.619 6.966 1.00 22.14 C ATOM 525 CG1 VAL A 35 32.994 30.955 5.673 1.00 34.41 C ATOM 526 CG2 VAL A 35 33.002 29.497 7.702 1.00 44.24 C ATOM 0 H VAL A 35 35.312 30.213 8.780 1.00 71.44 H new ATOM 0 HA VAL A 35 35.215 29.313 6.113 1.00 10.33 H new ATOM 0 HB VAL A 35 33.775 31.511 7.592 1.00 22.14 H new ATOM 0 HG11 VAL A 35 31.964 31.222 5.911 1.00 34.41 H new ATOM 0 HG12 VAL A 35 33.481 31.794 5.176 1.00 34.41 H new ATOM 0 HG13 VAL A 35 33.001 30.088 5.012 1.00 34.41 H new ATOM 0 HG21 VAL A 35 31.969 29.799 7.875 1.00 44.24 H new ATOM 0 HG22 VAL A 35 33.019 28.591 7.096 1.00 44.24 H new ATOM 0 HG23 VAL A 35 33.488 29.304 8.658 1.00 44.24 H new ATOM 536 N ASP A 36 36.035 32.514 6.399 1.00 42.13 N ATOM 537 CA ASP A 36 36.632 33.678 5.761 1.00 43.15 C ATOM 538 C ASP A 36 38.098 33.438 5.393 1.00 31.54 C ATOM 539 O ASP A 36 38.508 33.704 4.265 1.00 64.54 O ATOM 540 CB ASP A 36 36.482 34.861 6.725 1.00 62.34 C ATOM 541 CG ASP A 36 37.041 36.168 6.173 1.00 12.42 C ATOM 542 OD1 ASP A 36 36.824 36.430 4.972 1.00 73.41 O ATOM 543 OD2 ASP A 36 37.671 36.889 6.978 1.00 51.34 O ATOM 0 H ASP A 36 35.657 32.728 7.322 1.00 42.13 H new ATOM 0 HA ASP A 36 36.121 33.888 4.822 1.00 43.15 H new ATOM 0 HB2 ASP A 36 35.426 34.997 6.960 1.00 62.34 H new ATOM 0 HB3 ASP A 36 36.989 34.624 7.660 1.00 62.34 H new ATOM 548 N LEU A 37 38.886 32.931 6.347 1.00 10.23 N ATOM 549 CA LEU A 37 40.300 32.641 6.146 1.00 32.43 C ATOM 550 C LEU A 37 40.485 31.632 5.011 1.00 0.51 C ATOM 551 O LEU A 37 41.330 31.852 4.148 1.00 14.45 O ATOM 552 CB LEU A 37 40.942 32.148 7.452 1.00 62.43 C ATOM 553 CG LEU A 37 42.478 32.083 7.405 1.00 10.13 C ATOM 554 CD1 LEU A 37 43.095 33.486 7.473 1.00 65.21 C ATOM 555 CD2 LEU A 37 42.981 31.274 8.607 1.00 40.45 C ATOM 0 H LEU A 37 38.553 32.711 7.286 1.00 10.23 H new ATOM 0 HA LEU A 37 40.808 33.561 5.856 1.00 32.43 H new ATOM 0 HB2 LEU A 37 40.641 32.808 8.265 1.00 62.43 H new ATOM 0 HB3 LEU A 37 40.553 31.157 7.685 1.00 62.43 H new ATOM 0 HG LEU A 37 42.772 31.614 6.466 1.00 10.13 H new ATOM 0 HD11 LEU A 37 44.182 33.408 7.438 1.00 65.21 H new ATOM 0 HD12 LEU A 37 42.746 34.078 6.627 1.00 65.21 H new ATOM 0 HD13 LEU A 37 42.796 33.970 8.403 1.00 65.21 H new ATOM 0 HD21 LEU A 37 44.070 31.223 8.581 1.00 40.45 H new ATOM 0 HD22 LEU A 37 42.662 31.758 9.530 1.00 40.45 H new ATOM 0 HD23 LEU A 37 42.569 30.266 8.565 1.00 40.45 H new ATOM 567 N ALA A 38 39.691 30.553 4.988 1.00 73.30 N ATOM 568 CA ALA A 38 39.714 29.596 3.886 1.00 54.24 C ATOM 569 C ALA A 38 39.294 30.250 2.564 1.00 33.22 C ATOM 570 O ALA A 38 39.869 29.943 1.521 1.00 43.25 O ATOM 571 CB ALA A 38 38.811 28.403 4.210 1.00 41.24 C ATOM 0 H ALA A 38 39.024 30.325 5.725 1.00 73.30 H new ATOM 0 HA ALA A 38 40.738 29.243 3.764 1.00 54.24 H new ATOM 0 HB1 ALA A 38 38.834 27.694 3.382 1.00 41.24 H new ATOM 0 HB2 ALA A 38 39.166 27.914 5.117 1.00 41.24 H new ATOM 0 HB3 ALA A 38 37.789 28.751 4.361 1.00 41.24 H new ATOM 577 N HIS A 39 38.298 31.147 2.609 1.00 3.42 N ATOM 578 CA HIS A 39 37.686 31.777 1.445 1.00 51.44 C ATOM 579 C HIS A 39 38.699 32.549 0.594 1.00 74.35 C ATOM 580 O HIS A 39 38.512 32.649 -0.618 1.00 54.21 O ATOM 581 CB HIS A 39 36.528 32.689 1.884 1.00 51.25 C ATOM 582 CG HIS A 39 35.496 32.948 0.815 1.00 53.31 C ATOM 583 ND1 HIS A 39 35.813 33.432 -0.444 1.00 1.13 N ATOM 584 CD2 HIS A 39 34.130 32.795 0.807 1.00 30.44 C ATOM 585 CE1 HIS A 39 34.666 33.546 -1.132 1.00 21.41 C ATOM 586 NE2 HIS A 39 33.599 33.170 -0.424 1.00 33.43 N ATOM 0 H HIS A 39 37.888 31.460 3.489 1.00 3.42 H new ATOM 0 HA HIS A 39 37.293 30.981 0.813 1.00 51.44 H new ATOM 0 HB2 HIS A 39 36.035 32.239 2.746 1.00 51.25 H new ATOM 0 HB3 HIS A 39 36.939 33.643 2.214 1.00 51.25 H new ATOM 0 HD1 HIS A 39 36.747 33.660 -0.785 1.00 1.13 H new ATOM 0 HD2 HIS A 39 33.548 32.433 1.642 1.00 30.44 H new ATOM 0 HE1 HIS A 39 34.612 33.904 -2.150 1.00 21.41 H new ATOM 594 N GLN A 40 39.773 33.082 1.198 1.00 74.53 N ATOM 595 CA GLN A 40 40.814 33.779 0.448 1.00 72.14 C ATOM 596 C GLN A 40 41.474 32.869 -0.598 1.00 14.23 C ATOM 597 O GLN A 40 42.033 33.368 -1.573 1.00 52.41 O ATOM 598 CB GLN A 40 41.843 34.407 1.401 1.00 55.45 C ATOM 599 CG GLN A 40 42.984 33.458 1.788 1.00 60.31 C ATOM 600 CD GLN A 40 43.870 34.068 2.867 1.00 13.42 C ATOM 601 OE1 GLN A 40 44.756 34.863 2.569 1.00 14.34 O ATOM 602 NE2 GLN A 40 43.632 33.698 4.126 1.00 20.21 N ATOM 0 H GLN A 40 39.937 33.040 2.204 1.00 74.53 H new ATOM 0 HA GLN A 40 40.340 34.589 -0.107 1.00 72.14 H new ATOM 0 HB2 GLN A 40 42.265 35.296 0.932 1.00 55.45 H new ATOM 0 HB3 GLN A 40 41.333 34.736 2.306 1.00 55.45 H new ATOM 0 HG2 GLN A 40 42.570 32.515 2.145 1.00 60.31 H new ATOM 0 HG3 GLN A 40 43.585 33.230 0.907 1.00 60.31 H new ATOM 0 HE21 GLN A 40 42.885 33.034 4.330 1.00 20.21 H new ATOM 0 HE22 GLN A 40 44.197 34.079 4.885 1.00 20.21 H new ATOM 611 N GLY A 41 41.420 31.547 -0.388 1.00 12.30 N ATOM 612 CA GLY A 41 42.026 30.557 -1.258 1.00 52.04 C ATOM 613 C GLY A 41 43.448 30.284 -0.784 1.00 52.34 C ATOM 614 O GLY A 41 44.408 30.655 -1.457 1.00 71.11 O ATOM 0 H GLY A 41 40.940 31.137 0.413 1.00 12.30 H new ATOM 0 HA2 GLY A 41 41.442 29.637 -1.246 1.00 52.04 H new ATOM 0 HA3 GLY A 41 42.035 30.915 -2.287 1.00 52.04 H new ATOM 618 N VAL A 42 43.569 29.643 0.386 1.00 13.23 N ATOM 619 CA VAL A 42 44.838 29.340 1.029 1.00 12.10 C ATOM 620 C VAL A 42 44.815 27.890 1.529 1.00 25.22 C ATOM 621 O VAL A 42 43.780 27.408 1.988 1.00 32.44 O ATOM 622 CB VAL A 42 45.092 30.372 2.144 1.00 53.22 C ATOM 623 CG1 VAL A 42 44.110 30.222 3.313 1.00 40.43 C ATOM 624 CG2 VAL A 42 46.537 30.315 2.648 1.00 71.21 C ATOM 0 H VAL A 42 42.763 29.316 0.918 1.00 13.23 H new ATOM 0 HA VAL A 42 45.670 29.417 0.329 1.00 12.10 H new ATOM 0 HB VAL A 42 44.923 31.352 1.697 1.00 53.22 H new ATOM 0 HG11 VAL A 42 44.331 30.972 4.072 1.00 40.43 H new ATOM 0 HG12 VAL A 42 43.091 30.360 2.952 1.00 40.43 H new ATOM 0 HG13 VAL A 42 44.210 29.227 3.746 1.00 40.43 H new ATOM 0 HG21 VAL A 42 46.678 31.057 3.434 1.00 71.21 H new ATOM 0 HG22 VAL A 42 46.745 29.322 3.046 1.00 71.21 H new ATOM 0 HG23 VAL A 42 47.218 30.525 1.824 1.00 71.21 H new ATOM 634 N ARG A 43 45.950 27.192 1.410 1.00 25.22 N ATOM 635 CA ARG A 43 46.100 25.794 1.804 1.00 74.24 C ATOM 636 C ARG A 43 46.457 25.739 3.296 1.00 24.23 C ATOM 637 O ARG A 43 47.069 26.682 3.794 1.00 41.01 O ATOM 638 CB ARG A 43 47.200 25.133 0.952 1.00 1.01 C ATOM 639 CG ARG A 43 47.014 25.408 -0.548 1.00 20.31 C ATOM 640 CD ARG A 43 48.023 24.655 -1.432 1.00 14.21 C ATOM 641 NE ARG A 43 49.420 24.858 -1.019 1.00 24.52 N ATOM 642 CZ ARG A 43 50.097 26.020 -1.042 1.00 70.04 C ATOM 643 NH1 ARG A 43 49.555 27.133 -1.554 1.00 34.31 N ATOM 644 NH2 ARG A 43 51.328 26.078 -0.519 1.00 35.23 N ATOM 0 H ARG A 43 46.806 27.595 1.029 1.00 25.22 H new ATOM 0 HA ARG A 43 45.169 25.251 1.640 1.00 74.24 H new ATOM 0 HB2 ARG A 43 48.175 25.503 1.270 1.00 1.01 H new ATOM 0 HB3 ARG A 43 47.195 24.057 1.126 1.00 1.01 H new ATOM 0 HG2 ARG A 43 46.003 25.125 -0.840 1.00 20.31 H new ATOM 0 HG3 ARG A 43 47.110 26.479 -0.729 1.00 20.31 H new ATOM 0 HD2 ARG A 43 47.794 23.590 -1.406 1.00 14.21 H new ATOM 0 HD3 ARG A 43 47.905 24.981 -2.465 1.00 14.21 H new ATOM 0 HE ARG A 43 49.924 24.038 -0.682 1.00 24.52 H new ATOM 0 HH11 ARG A 43 48.610 27.110 -1.937 1.00 34.31 H new ATOM 0 HH12 ARG A 43 50.087 28.003 -1.561 1.00 34.31 H new ATOM 0 HH21 ARG A 43 51.747 25.244 -0.107 1.00 35.23 H new ATOM 0 HH22 ARG A 43 51.847 26.956 -0.533 1.00 35.23 H new ATOM 658 N PRO A 44 46.123 24.660 4.027 1.00 12.20 N ATOM 659 CA PRO A 44 46.469 24.511 5.437 1.00 65.14 C ATOM 660 C PRO A 44 47.976 24.654 5.676 1.00 44.05 C ATOM 661 O PRO A 44 48.390 25.298 6.637 1.00 50.32 O ATOM 662 CB PRO A 44 45.940 23.137 5.861 1.00 21.55 C ATOM 663 CG PRO A 44 45.784 22.375 4.547 1.00 75.04 C ATOM 664 CD PRO A 44 45.425 23.477 3.552 1.00 21.12 C ATOM 0 HA PRO A 44 46.018 25.301 6.038 1.00 65.14 H new ATOM 0 HB2 PRO A 44 46.634 22.633 6.534 1.00 21.55 H new ATOM 0 HB3 PRO A 44 44.990 23.221 6.388 1.00 21.55 H new ATOM 0 HG2 PRO A 44 46.704 21.862 4.266 1.00 75.04 H new ATOM 0 HG3 PRO A 44 45.003 21.618 4.610 1.00 75.04 H new ATOM 0 HD2 PRO A 44 45.739 23.213 2.542 1.00 21.12 H new ATOM 0 HD3 PRO A 44 44.348 23.642 3.518 1.00 21.12 H new ATOM 672 N CYS A 45 48.793 24.088 4.780 1.00 64.35 N ATOM 673 CA CYS A 45 50.242 24.243 4.807 1.00 74.11 C ATOM 674 C CYS A 45 50.691 25.681 4.510 1.00 43.55 C ATOM 675 O CYS A 45 51.762 26.081 4.960 1.00 13.12 O ATOM 676 CB CYS A 45 50.898 23.243 3.845 1.00 43.45 C ATOM 677 SG CYS A 45 50.413 23.562 2.125 1.00 44.44 S ATOM 0 H CYS A 45 48.459 23.506 4.012 1.00 64.35 H new ATOM 0 HA CYS A 45 50.574 24.027 5.822 1.00 74.11 H new ATOM 0 HB2 CYS A 45 51.982 23.306 3.936 1.00 43.45 H new ATOM 0 HB3 CYS A 45 50.613 22.228 4.123 1.00 43.45 H new ATOM 0 HG CYS A 45 50.990 22.698 1.344 1.00 44.44 H new ATOM 683 N ASP A 46 49.901 26.446 3.745 1.00 13.01 N ATOM 684 CA ASP A 46 50.260 27.780 3.274 1.00 42.23 C ATOM 685 C ASP A 46 49.916 28.865 4.298 1.00 63.22 C ATOM 686 O ASP A 46 50.634 29.859 4.386 1.00 21.33 O ATOM 687 CB ASP A 46 49.575 28.045 1.931 1.00 22.24 C ATOM 688 CG ASP A 46 50.219 29.195 1.167 1.00 2.30 C ATOM 689 OD1 ASP A 46 49.921 30.358 1.514 1.00 52.12 O ATOM 690 OD2 ASP A 46 50.999 28.898 0.236 1.00 45.11 O ATOM 0 H ASP A 46 48.978 26.144 3.433 1.00 13.01 H new ATOM 0 HA ASP A 46 51.341 27.818 3.140 1.00 42.23 H new ATOM 0 HB2 ASP A 46 49.613 27.142 1.322 1.00 22.24 H new ATOM 0 HB3 ASP A 46 48.522 28.270 2.101 1.00 22.24 H new ATOM 695 N ILE A 47 48.836 28.679 5.075 1.00 13.25 N ATOM 696 CA ILE A 47 48.426 29.611 6.127 1.00 61.21 C ATOM 697 C ILE A 47 49.599 29.952 7.045 1.00 63.53 C ATOM 698 O ILE A 47 49.744 31.107 7.444 1.00 54.00 O ATOM 699 CB ILE A 47 47.242 29.046 6.939 1.00 42.33 C ATOM 700 CG1 ILE A 47 45.981 29.037 6.067 1.00 23.31 C ATOM 701 CG2 ILE A 47 46.968 29.866 8.213 1.00 14.34 C ATOM 702 CD1 ILE A 47 44.823 28.262 6.699 1.00 44.44 C ATOM 0 H ILE A 47 48.221 27.870 4.986 1.00 13.25 H new ATOM 0 HA ILE A 47 48.095 30.531 5.645 1.00 61.21 H new ATOM 0 HB ILE A 47 47.506 28.033 7.243 1.00 42.33 H new ATOM 0 HG12 ILE A 47 45.666 30.064 5.883 1.00 23.31 H new ATOM 0 HG13 ILE A 47 46.219 28.598 5.098 1.00 23.31 H new ATOM 0 HG21 ILE A 47 46.126 29.431 8.752 1.00 14.34 H new ATOM 0 HG22 ILE A 47 47.852 29.854 8.850 1.00 14.34 H new ATOM 0 HG23 ILE A 47 46.731 30.894 7.940 1.00 14.34 H new ATOM 0 HD11 ILE A 47 43.960 28.292 6.034 1.00 44.44 H new ATOM 0 HD12 ILE A 47 45.122 27.226 6.858 1.00 44.44 H new ATOM 0 HD13 ILE A 47 44.561 28.715 7.655 1.00 44.44 H new ATOM 714 N SER A 48 50.405 28.934 7.378 1.00 30.22 N ATOM 715 CA SER A 48 51.511 28.990 8.322 1.00 24.02 C ATOM 716 C SER A 48 52.293 30.297 8.246 1.00 0.21 C ATOM 717 O SER A 48 52.432 30.978 9.257 1.00 51.44 O ATOM 718 CB SER A 48 52.447 27.798 8.097 1.00 44.14 C ATOM 719 OG SER A 48 53.012 27.818 6.802 1.00 42.45 O ATOM 0 H SER A 48 50.291 28.006 6.971 1.00 30.22 H new ATOM 0 HA SER A 48 51.081 28.942 9.322 1.00 24.02 H new ATOM 0 HB2 SER A 48 53.242 27.814 8.842 1.00 44.14 H new ATOM 0 HB3 SER A 48 51.895 26.869 8.240 1.00 44.14 H new ATOM 0 HG SER A 48 52.528 27.192 6.224 1.00 42.45 H new ATOM 725 N ARG A 49 52.803 30.633 7.057 1.00 60.24 N ATOM 726 CA ARG A 49 53.713 31.747 6.860 1.00 55.04 C ATOM 727 C ARG A 49 53.044 33.122 6.975 1.00 31.23 C ATOM 728 O ARG A 49 53.756 34.110 7.147 1.00 3.12 O ATOM 729 CB ARG A 49 54.529 31.559 5.569 1.00 31.30 C ATOM 730 CG ARG A 49 53.752 31.169 4.301 1.00 30.42 C ATOM 731 CD ARG A 49 52.724 32.211 3.855 1.00 50.44 C ATOM 732 NE ARG A 49 52.131 31.865 2.554 1.00 42.01 N ATOM 733 CZ ARG A 49 52.609 32.221 1.350 1.00 42.04 C ATOM 734 NH1 ARG A 49 53.752 32.914 1.236 1.00 14.23 N ATOM 735 NH2 ARG A 49 51.930 31.879 0.249 1.00 61.24 N ATOM 0 H ARG A 49 52.588 30.127 6.198 1.00 60.24 H new ATOM 0 HA ARG A 49 54.418 31.737 7.691 1.00 55.04 H new ATOM 0 HB2 ARG A 49 55.062 32.488 5.367 1.00 31.30 H new ATOM 0 HB3 ARG A 49 55.282 30.793 5.753 1.00 31.30 H new ATOM 0 HG2 ARG A 49 54.461 31.003 3.490 1.00 30.42 H new ATOM 0 HG3 ARG A 49 53.241 30.222 4.477 1.00 30.42 H new ATOM 0 HD2 ARG A 49 51.937 32.290 4.605 1.00 50.44 H new ATOM 0 HD3 ARG A 49 53.201 33.189 3.789 1.00 50.44 H new ATOM 0 HE ARG A 49 51.279 31.304 2.567 1.00 42.01 H new ATOM 0 HH11 ARG A 49 54.273 33.179 2.072 1.00 14.23 H new ATOM 0 HH12 ARG A 49 54.100 33.176 0.314 1.00 14.23 H new ATOM 0 HH21 ARG A 49 51.059 31.354 0.329 1.00 61.24 H new ATOM 0 HH22 ARG A 49 52.283 32.144 -0.671 1.00 61.24 H new ATOM 749 N GLN A 50 51.705 33.214 6.922 1.00 61.40 N ATOM 750 CA GLN A 50 51.016 34.485 7.099 1.00 40.34 C ATOM 751 C GLN A 50 51.172 34.980 8.537 1.00 43.22 C ATOM 752 O GLN A 50 51.500 36.144 8.757 1.00 1.43 O ATOM 753 CB GLN A 50 49.536 34.342 6.734 1.00 11.31 C ATOM 754 CG GLN A 50 49.342 33.825 5.302 1.00 75.11 C ATOM 755 CD GLN A 50 47.864 33.697 4.960 1.00 14.13 C ATOM 756 OE1 GLN A 50 47.144 32.901 5.748 1.00 64.25 O flip ATOM 757 NE2 GLN A 50 47.384 34.295 4.001 1.00 43.32 N flip ATOM 0 H GLN A 50 51.087 32.420 6.758 1.00 61.40 H new ATOM 0 HA GLN A 50 51.465 35.222 6.433 1.00 40.34 H new ATOM 0 HB2 GLN A 50 49.055 33.659 7.434 1.00 11.31 H new ATOM 0 HB3 GLN A 50 49.042 35.308 6.840 1.00 11.31 H new ATOM 0 HG2 GLN A 50 49.823 34.504 4.599 1.00 75.11 H new ATOM 0 HG3 GLN A 50 49.829 32.856 5.193 1.00 75.11 H new ATOM 0 HE21 GLN A 50 47.976 34.894 3.426 1.00 43.32 H new ATOM 0 HE22 GLN A 50 46.394 34.192 3.780 1.00 43.32 H new ATOM 766 N LEU A 51 50.946 34.084 9.507 1.00 72.01 N ATOM 767 CA LEU A 51 51.083 34.345 10.937 1.00 14.44 C ATOM 768 C LEU A 51 52.480 33.951 11.443 1.00 44.32 C ATOM 769 O LEU A 51 52.863 34.356 12.539 1.00 41.44 O ATOM 770 CB LEU A 51 49.998 33.572 11.707 1.00 61.30 C ATOM 771 CG LEU A 51 48.565 34.135 11.644 1.00 40.31 C ATOM 772 CD1 LEU A 51 48.451 35.523 12.283 1.00 15.04 C ATOM 773 CD2 LEU A 51 47.974 34.148 10.230 1.00 64.54 C ATOM 0 H LEU A 51 50.653 33.128 9.306 1.00 72.01 H new ATOM 0 HA LEU A 51 50.958 35.414 11.108 1.00 14.44 H new ATOM 0 HB2 LEU A 51 49.978 32.549 11.330 1.00 61.30 H new ATOM 0 HB3 LEU A 51 50.297 33.520 12.754 1.00 61.30 H new ATOM 0 HG LEU A 51 47.969 33.439 12.234 1.00 40.31 H new ATOM 0 HD11 LEU A 51 47.421 35.873 12.212 1.00 15.04 H new ATOM 0 HD12 LEU A 51 48.743 35.466 13.332 1.00 15.04 H new ATOM 0 HD13 LEU A 51 49.108 36.219 11.761 1.00 15.04 H new ATOM 0 HD21 LEU A 51 46.964 34.557 10.262 1.00 64.54 H new ATOM 0 HD22 LEU A 51 48.595 34.766 9.582 1.00 64.54 H new ATOM 0 HD23 LEU A 51 47.942 33.131 9.840 1.00 64.54 H new ATOM 785 N ARG A 52 53.232 33.170 10.654 1.00 71.41 N ATOM 786 CA ARG A 52 54.519 32.577 10.992 1.00 62.21 C ATOM 787 C ARG A 52 54.373 31.604 12.162 1.00 55.23 C ATOM 788 O ARG A 52 54.822 31.885 13.272 1.00 23.33 O ATOM 789 CB ARG A 52 55.611 33.628 11.235 1.00 62.44 C ATOM 790 CG ARG A 52 55.875 34.528 10.018 1.00 44.42 C ATOM 791 CD ARG A 52 54.947 35.745 9.902 1.00 3.25 C ATOM 792 NE ARG A 52 54.939 36.533 11.143 1.00 52.32 N ATOM 793 CZ ARG A 52 53.933 37.303 11.593 1.00 53.23 C ATOM 794 NH1 ARG A 52 52.817 37.483 10.873 1.00 65.01 N ATOM 795 NH2 ARG A 52 54.052 37.904 12.784 1.00 2.21 N ATOM 0 H ARG A 52 52.934 32.926 9.710 1.00 71.41 H new ATOM 0 HA ARG A 52 54.854 32.007 10.126 1.00 62.21 H new ATOM 0 HB2 ARG A 52 55.323 34.251 12.082 1.00 62.44 H new ATOM 0 HB3 ARG A 52 56.536 33.122 11.511 1.00 62.44 H new ATOM 0 HG2 ARG A 52 56.906 34.878 10.060 1.00 44.42 H new ATOM 0 HG3 ARG A 52 55.779 33.928 9.113 1.00 44.42 H new ATOM 0 HD2 ARG A 52 55.270 36.373 9.072 1.00 3.25 H new ATOM 0 HD3 ARG A 52 53.934 35.412 9.674 1.00 3.25 H new ATOM 0 HE ARG A 52 55.779 36.491 11.719 1.00 52.32 H new ATOM 0 HH11 ARG A 52 52.718 37.031 9.964 1.00 65.01 H new ATOM 0 HH12 ARG A 52 52.066 38.072 11.234 1.00 65.01 H new ATOM 0 HH21 ARG A 52 54.899 37.775 13.338 1.00 2.21 H new ATOM 0 HH22 ARG A 52 53.296 38.491 13.137 1.00 2.21 H new ATOM 809 N VAL A 53 53.736 30.456 11.893 1.00 55.23 N ATOM 810 CA VAL A 53 53.437 29.423 12.882 1.00 50.00 C ATOM 811 C VAL A 53 54.221 28.148 12.543 1.00 42.55 C ATOM 812 O VAL A 53 55.431 28.115 12.760 1.00 14.21 O ATOM 813 CB VAL A 53 51.910 29.258 13.041 1.00 35.21 C ATOM 814 CG1 VAL A 53 51.545 28.287 14.176 1.00 23.42 C ATOM 815 CG2 VAL A 53 51.260 30.608 13.378 1.00 63.01 C ATOM 0 H VAL A 53 53.408 30.219 10.957 1.00 55.23 H new ATOM 0 HA VAL A 53 53.779 29.711 13.876 1.00 50.00 H new ATOM 0 HB VAL A 53 51.545 28.864 12.092 1.00 35.21 H new ATOM 0 HG11 VAL A 53 50.461 28.204 14.249 1.00 23.42 H new ATOM 0 HG12 VAL A 53 51.971 27.306 13.966 1.00 23.42 H new ATOM 0 HG13 VAL A 53 51.944 28.662 15.118 1.00 23.42 H new ATOM 0 HG21 VAL A 53 50.184 30.476 13.487 1.00 63.01 H new ATOM 0 HG22 VAL A 53 51.675 30.989 14.311 1.00 63.01 H new ATOM 0 HG23 VAL A 53 51.459 31.318 12.575 1.00 63.01 H new ATOM 825 N SER A 54 53.555 27.094 12.053 1.00 23.53 N ATOM 826 CA SER A 54 54.138 25.764 11.895 1.00 22.42 C ATOM 827 C SER A 54 53.481 25.030 10.718 1.00 61.24 C ATOM 828 O SER A 54 53.682 25.432 9.575 1.00 75.44 O ATOM 829 CB SER A 54 54.041 24.996 13.225 1.00 21.33 C ATOM 830 OG SER A 54 54.697 25.698 14.260 1.00 34.44 O ATOM 0 H SER A 54 52.582 27.147 11.752 1.00 23.53 H new ATOM 0 HA SER A 54 55.197 25.843 11.650 1.00 22.42 H new ATOM 0 HB2 SER A 54 52.994 24.847 13.488 1.00 21.33 H new ATOM 0 HB3 SER A 54 54.485 24.007 13.112 1.00 21.33 H new ATOM 0 HG SER A 54 54.622 25.193 15.097 1.00 34.44 H new ATOM 836 N HIS A 55 52.713 23.959 10.974 1.00 60.13 N ATOM 837 CA HIS A 55 52.027 23.190 9.941 1.00 22.31 C ATOM 838 C HIS A 55 50.922 22.336 10.565 1.00 4.41 C ATOM 839 O HIS A 55 49.759 22.468 10.191 1.00 13.53 O ATOM 840 CB HIS A 55 53.022 22.313 9.165 1.00 75.02 C ATOM 841 CG HIS A 55 52.368 21.386 8.167 1.00 54.01 C ATOM 842 ND1 HIS A 55 51.190 21.699 7.503 1.00 72.04 N ATOM 843 CD2 HIS A 55 52.704 20.128 7.726 1.00 22.13 C ATOM 844 CE1 HIS A 55 50.875 20.649 6.727 1.00 63.32 C ATOM 845 NE2 HIS A 55 51.763 19.658 6.815 1.00 34.22 N ATOM 0 H HIS A 55 52.554 23.604 11.917 1.00 60.13 H new ATOM 0 HA HIS A 55 51.571 23.885 9.236 1.00 22.31 H new ATOM 0 HB2 HIS A 55 53.727 22.957 8.640 1.00 75.02 H new ATOM 0 HB3 HIS A 55 53.599 21.720 9.874 1.00 75.02 H new ATOM 0 HD2 HIS A 55 53.579 19.580 8.043 1.00 22.13 H new ATOM 0 HE1 HIS A 55 49.997 20.611 6.099 1.00 63.32 H new ATOM 0 HE2 HIS A 55 51.754 18.762 6.327 1.00 34.22 H new ATOM 853 N GLY A 56 51.284 21.439 11.489 1.00 50.12 N ATOM 854 CA GLY A 56 50.353 20.498 12.098 1.00 31.10 C ATOM 855 C GLY A 56 49.232 21.221 12.845 1.00 11.34 C ATOM 856 O GLY A 56 48.052 20.954 12.614 1.00 24.25 O ATOM 0 H GLY A 56 52.240 21.350 11.834 1.00 50.12 H new ATOM 0 HA2 GLY A 56 49.924 19.859 11.327 1.00 31.10 H new ATOM 0 HA3 GLY A 56 50.891 19.848 12.788 1.00 31.10 H new ATOM 860 N CYS A 57 49.611 22.154 13.725 1.00 10.02 N ATOM 861 CA CYS A 57 48.676 22.974 14.483 1.00 74.11 C ATOM 862 C CYS A 57 47.860 23.851 13.533 1.00 32.11 C ATOM 863 O CYS A 57 46.645 23.955 13.686 1.00 20.33 O ATOM 864 CB CYS A 57 49.434 23.837 15.500 1.00 53.33 C ATOM 865 SG CYS A 57 50.013 22.824 16.891 1.00 3.44 S ATOM 0 H CYS A 57 50.589 22.359 13.929 1.00 10.02 H new ATOM 0 HA CYS A 57 47.992 22.323 15.027 1.00 74.11 H new ATOM 0 HB2 CYS A 57 50.283 24.318 15.015 1.00 53.33 H new ATOM 0 HB3 CYS A 57 48.784 24.631 15.867 1.00 53.33 H new ATOM 0 HG CYS A 57 50.653 23.575 17.737 1.00 3.44 H new ATOM 871 N VAL A 58 48.536 24.460 12.550 1.00 14.43 N ATOM 872 CA VAL A 58 47.946 25.339 11.548 1.00 72.31 C ATOM 873 C VAL A 58 46.802 24.629 10.818 1.00 41.40 C ATOM 874 O VAL A 58 45.719 25.190 10.652 1.00 3.41 O ATOM 875 CB VAL A 58 49.031 25.816 10.569 1.00 23.00 C ATOM 876 CG1 VAL A 58 48.445 26.790 9.541 1.00 61.34 C ATOM 877 CG2 VAL A 58 50.169 26.525 11.310 1.00 31.24 C ATOM 0 H VAL A 58 49.543 24.346 12.432 1.00 14.43 H new ATOM 0 HA VAL A 58 47.525 26.215 12.041 1.00 72.31 H new ATOM 0 HB VAL A 58 49.419 24.931 10.064 1.00 23.00 H new ATOM 0 HG11 VAL A 58 49.230 27.115 8.858 1.00 61.34 H new ATOM 0 HG12 VAL A 58 47.657 26.292 8.976 1.00 61.34 H new ATOM 0 HG13 VAL A 58 48.031 27.657 10.056 1.00 61.34 H new ATOM 0 HG21 VAL A 58 50.922 26.852 10.593 1.00 31.24 H new ATOM 0 HG22 VAL A 58 49.774 27.391 11.841 1.00 31.24 H new ATOM 0 HG23 VAL A 58 50.622 25.837 12.024 1.00 31.24 H new ATOM 887 N SER A 59 47.047 23.384 10.394 1.00 41.10 N ATOM 888 CA SER A 59 46.075 22.567 9.692 1.00 5.22 C ATOM 889 C SER A 59 44.837 22.308 10.551 1.00 42.02 C ATOM 890 O SER A 59 43.737 22.243 10.010 1.00 71.43 O ATOM 891 CB SER A 59 46.730 21.253 9.250 1.00 31.41 C ATOM 892 OG SER A 59 45.862 20.539 8.395 1.00 41.40 O ATOM 0 H SER A 59 47.943 22.917 10.536 1.00 41.10 H new ATOM 0 HA SER A 59 45.739 23.108 8.807 1.00 5.22 H new ATOM 0 HB2 SER A 59 47.669 21.461 8.736 1.00 31.41 H new ATOM 0 HB3 SER A 59 46.972 20.647 10.123 1.00 31.41 H new ATOM 0 HG SER A 59 46.291 19.703 8.118 1.00 41.40 H new ATOM 898 N LYS A 60 45.007 22.153 11.871 1.00 25.44 N ATOM 899 CA LYS A 60 43.903 21.891 12.785 1.00 3.42 C ATOM 900 C LYS A 60 43.073 23.148 13.053 1.00 41.11 C ATOM 901 O LYS A 60 41.849 23.088 12.942 1.00 2.14 O ATOM 902 CB LYS A 60 44.410 21.229 14.076 1.00 52.25 C ATOM 903 CG LYS A 60 44.545 19.711 13.886 1.00 4.23 C ATOM 904 CD LYS A 60 43.180 19.016 14.030 1.00 45.32 C ATOM 905 CE LYS A 60 43.229 17.570 13.526 1.00 1.03 C ATOM 906 NZ LYS A 60 41.925 16.902 13.686 1.00 34.00 N ATOM 0 H LYS A 60 45.917 22.207 12.329 1.00 25.44 H new ATOM 0 HA LYS A 60 43.227 21.184 12.304 1.00 3.42 H new ATOM 0 HB2 LYS A 60 45.374 21.654 14.355 1.00 52.25 H new ATOM 0 HB3 LYS A 60 43.721 21.439 14.894 1.00 52.25 H new ATOM 0 HG2 LYS A 60 44.963 19.499 12.902 1.00 4.23 H new ATOM 0 HG3 LYS A 60 45.242 19.309 14.622 1.00 4.23 H new ATOM 0 HD2 LYS A 60 42.874 19.027 15.076 1.00 45.32 H new ATOM 0 HD3 LYS A 60 42.427 19.572 13.471 1.00 45.32 H new ATOM 0 HE2 LYS A 60 43.519 17.559 12.475 1.00 1.03 H new ATOM 0 HE3 LYS A 60 43.993 17.018 14.074 1.00 1.03 H new ATOM 0 HZ1 LYS A 60 41.990 15.925 13.336 1.00 34.00 H new ATOM 0 HZ2 LYS A 60 41.661 16.893 14.692 1.00 34.00 H new ATOM 0 HZ3 LYS A 60 41.202 17.417 13.143 1.00 34.00 H new ATOM 920 N ILE A 61 43.700 24.283 13.392 1.00 71.23 N ATOM 921 CA ILE A 61 42.955 25.520 13.631 1.00 21.41 C ATOM 922 C ILE A 61 42.175 25.965 12.390 1.00 25.03 C ATOM 923 O ILE A 61 41.113 26.571 12.529 1.00 22.13 O ATOM 924 CB ILE A 61 43.850 26.645 14.173 1.00 53.44 C ATOM 925 CG1 ILE A 61 44.980 26.996 13.196 1.00 25.03 C ATOM 926 CG2 ILE A 61 44.381 26.267 15.563 1.00 24.11 C ATOM 927 CD1 ILE A 61 45.886 28.119 13.697 1.00 5.11 C ATOM 0 H ILE A 61 44.710 24.367 13.505 1.00 71.23 H new ATOM 0 HA ILE A 61 42.225 25.297 14.409 1.00 21.41 H new ATOM 0 HB ILE A 61 43.248 27.548 14.274 1.00 53.44 H new ATOM 0 HG12 ILE A 61 45.583 26.106 13.014 1.00 25.03 H new ATOM 0 HG13 ILE A 61 44.546 27.288 12.240 1.00 25.03 H new ATOM 0 HG21 ILE A 61 45.015 27.069 15.941 1.00 24.11 H new ATOM 0 HG22 ILE A 61 43.543 26.115 16.244 1.00 24.11 H new ATOM 0 HG23 ILE A 61 44.963 25.348 15.493 1.00 24.11 H new ATOM 0 HD11 ILE A 61 46.663 28.317 12.958 1.00 5.11 H new ATOM 0 HD12 ILE A 61 45.295 29.022 13.852 1.00 5.11 H new ATOM 0 HD13 ILE A 61 46.348 27.821 14.638 1.00 5.11 H new ATOM 939 N LEU A 62 42.671 25.637 11.193 1.00 34.35 N ATOM 940 CA LEU A 62 41.910 25.758 9.960 1.00 32.32 C ATOM 941 C LEU A 62 40.803 24.695 9.951 1.00 2.05 C ATOM 942 O LEU A 62 39.634 25.027 10.135 1.00 73.14 O ATOM 943 CB LEU A 62 42.874 25.678 8.761 1.00 34.41 C ATOM 944 CG LEU A 62 42.266 25.911 7.365 1.00 1.00 C ATOM 945 CD1 LEU A 62 41.418 24.743 6.846 1.00 1.34 C ATOM 946 CD2 LEU A 62 41.473 27.219 7.284 1.00 64.11 C ATOM 0 H LEU A 62 43.617 25.279 11.059 1.00 34.35 H new ATOM 0 HA LEU A 62 41.411 26.724 9.885 1.00 32.32 H new ATOM 0 HB2 LEU A 62 43.667 26.410 8.913 1.00 34.41 H new ATOM 0 HB3 LEU A 62 43.343 24.694 8.767 1.00 34.41 H new ATOM 0 HG LEU A 62 43.131 25.986 6.706 1.00 1.00 H new ATOM 0 HD11 LEU A 62 41.027 24.988 5.858 1.00 1.34 H new ATOM 0 HD12 LEU A 62 42.035 23.847 6.780 1.00 1.34 H new ATOM 0 HD13 LEU A 62 40.588 24.564 7.530 1.00 1.34 H new ATOM 0 HD21 LEU A 62 41.065 27.336 6.280 1.00 64.11 H new ATOM 0 HD22 LEU A 62 40.657 27.195 8.006 1.00 64.11 H new ATOM 0 HD23 LEU A 62 42.131 28.058 7.508 1.00 64.11 H new ATOM 958 N GLY A 63 41.165 23.425 9.741 1.00 53.14 N ATOM 959 CA GLY A 63 40.247 22.310 9.578 1.00 53.32 C ATOM 960 C GLY A 63 40.338 21.393 10.790 1.00 61.14 C ATOM 961 O GLY A 63 41.246 20.568 10.879 1.00 45.04 O ATOM 0 H GLY A 63 42.143 23.143 9.679 1.00 53.14 H new ATOM 0 HA2 GLY A 63 39.228 22.679 9.464 1.00 53.32 H new ATOM 0 HA3 GLY A 63 40.489 21.756 8.671 1.00 53.32 H new ATOM 1314 N LYS A 87 0.372 1.236 2.856 1.00 63.52 N ATOM 1315 CA LYS A 87 -0.057 -0.059 2.342 1.00 42.11 C ATOM 1316 C LYS A 87 -1.259 -0.637 3.097 1.00 73.10 C ATOM 1317 O LYS A 87 -2.034 -1.387 2.512 1.00 52.21 O ATOM 1318 CB LYS A 87 1.132 -1.030 2.340 1.00 11.01 C ATOM 1319 CG LYS A 87 0.805 -2.308 1.554 1.00 53.13 C ATOM 1320 CD LYS A 87 2.031 -3.170 1.222 1.00 45.11 C ATOM 1321 CE LYS A 87 2.741 -3.750 2.452 1.00 74.42 C ATOM 1322 NZ LYS A 87 3.710 -2.808 3.040 1.00 11.51 N ATOM 0 HA LYS A 87 -0.402 0.088 1.319 1.00 42.11 H new ATOM 0 HB2 LYS A 87 2.002 -0.542 1.900 1.00 11.01 H new ATOM 0 HB3 LYS A 87 1.396 -1.288 3.366 1.00 11.01 H new ATOM 0 HG2 LYS A 87 0.099 -2.906 2.131 1.00 53.13 H new ATOM 0 HG3 LYS A 87 0.305 -2.033 0.625 1.00 53.13 H new ATOM 0 HD2 LYS A 87 1.720 -3.990 0.575 1.00 45.11 H new ATOM 0 HD3 LYS A 87 2.742 -2.569 0.655 1.00 45.11 H new ATOM 0 HE2 LYS A 87 1.998 -4.019 3.203 1.00 74.42 H new ATOM 0 HE3 LYS A 87 3.256 -4.668 2.171 1.00 74.42 H new ATOM 0 HZ1 LYS A 87 4.533 -3.334 3.396 1.00 11.51 H new ATOM 0 HZ2 LYS A 87 4.020 -2.130 2.314 1.00 11.51 H new ATOM 0 HZ3 LYS A 87 3.262 -2.294 3.825 1.00 11.51 H new ATOM 1336 N VAL A 88 -1.437 -0.280 4.377 1.00 42.35 N ATOM 1337 CA VAL A 88 -2.590 -0.696 5.171 1.00 22.51 C ATOM 1338 C VAL A 88 -3.917 -0.382 4.469 1.00 3.54 C ATOM 1339 O VAL A 88 -4.863 -1.156 4.591 1.00 0.22 O ATOM 1340 CB VAL A 88 -2.548 -0.103 6.592 1.00 63.41 C ATOM 1341 CG1 VAL A 88 -1.229 -0.436 7.301 1.00 31.14 C ATOM 1342 CG2 VAL A 88 -2.812 1.409 6.612 1.00 73.03 C ATOM 0 H VAL A 88 -0.779 0.308 4.888 1.00 42.35 H new ATOM 0 HA VAL A 88 -2.530 -1.780 5.269 1.00 22.51 H new ATOM 0 HB VAL A 88 -3.362 -0.575 7.143 1.00 63.41 H new ATOM 0 HG11 VAL A 88 -1.234 -0.002 8.301 1.00 31.14 H new ATOM 0 HG12 VAL A 88 -1.119 -1.518 7.375 1.00 31.14 H new ATOM 0 HG13 VAL A 88 -0.396 -0.025 6.731 1.00 31.14 H new ATOM 0 HG21 VAL A 88 -2.770 1.772 7.639 1.00 73.03 H new ATOM 0 HG22 VAL A 88 -2.055 1.918 6.016 1.00 73.03 H new ATOM 0 HG23 VAL A 88 -3.799 1.612 6.195 1.00 73.03 H new ATOM 1352 N VAL A 89 -3.980 0.730 3.724 1.00 64.11 N ATOM 1353 CA VAL A 89 -5.155 1.135 2.962 1.00 54.54 C ATOM 1354 C VAL A 89 -5.367 0.208 1.758 1.00 54.50 C ATOM 1355 O VAL A 89 -6.502 -0.159 1.455 1.00 0.44 O ATOM 1356 CB VAL A 89 -5.022 2.607 2.525 1.00 74.22 C ATOM 1357 CG1 VAL A 89 -6.291 3.077 1.799 1.00 50.53 C ATOM 1358 CG2 VAL A 89 -4.784 3.526 3.732 1.00 14.40 C ATOM 0 H VAL A 89 -3.199 1.380 3.637 1.00 64.11 H new ATOM 0 HA VAL A 89 -6.035 1.050 3.599 1.00 54.54 H new ATOM 0 HB VAL A 89 -4.167 2.664 1.851 1.00 74.22 H new ATOM 0 HG11 VAL A 89 -6.174 4.119 1.500 1.00 50.53 H new ATOM 0 HG12 VAL A 89 -6.453 2.461 0.914 1.00 50.53 H new ATOM 0 HG13 VAL A 89 -7.147 2.985 2.467 1.00 50.53 H new ATOM 0 HG21 VAL A 89 -4.694 4.558 3.392 1.00 14.40 H new ATOM 0 HG22 VAL A 89 -5.623 3.443 4.423 1.00 14.40 H new ATOM 0 HG23 VAL A 89 -3.866 3.230 4.239 1.00 14.40 H new ATOM 1368 N GLU A 90 -4.280 -0.171 1.074 1.00 1.14 N ATOM 1369 CA GLU A 90 -4.314 -1.036 -0.100 1.00 63.13 C ATOM 1370 C GLU A 90 -4.937 -2.399 0.226 1.00 40.41 C ATOM 1371 O GLU A 90 -5.628 -2.960 -0.623 1.00 61.20 O ATOM 1372 CB GLU A 90 -2.903 -1.207 -0.680 1.00 3.23 C ATOM 1373 CG GLU A 90 -2.288 0.130 -1.119 1.00 34.11 C ATOM 1374 CD GLU A 90 -0.813 -0.010 -1.493 1.00 35.42 C ATOM 1375 OE1 GLU A 90 -0.460 -1.057 -2.074 1.00 60.40 O ATOM 1376 OE2 GLU A 90 -0.057 0.937 -1.178 1.00 43.40 O ATOM 0 H GLU A 90 -3.338 0.123 1.330 1.00 1.14 H new ATOM 0 HA GLU A 90 -4.943 -0.558 -0.851 1.00 63.13 H new ATOM 0 HB2 GLU A 90 -2.260 -1.673 0.066 1.00 3.23 H new ATOM 0 HB3 GLU A 90 -2.943 -1.884 -1.533 1.00 3.23 H new ATOM 0 HG2 GLU A 90 -2.842 0.520 -1.972 1.00 34.11 H new ATOM 0 HG3 GLU A 90 -2.390 0.857 -0.313 1.00 34.11 H new ATOM 1383 N LYS A 91 -4.712 -2.905 1.451 1.00 11.32 N ATOM 1384 CA LYS A 91 -5.231 -4.185 1.928 1.00 31.33 C ATOM 1385 C LYS A 91 -6.716 -4.341 1.596 1.00 11.42 C ATOM 1386 O LYS A 91 -7.084 -5.270 0.881 1.00 43.43 O ATOM 1387 CB LYS A 91 -4.998 -4.351 3.439 1.00 63.23 C ATOM 1388 CG LYS A 91 -3.509 -4.348 3.810 1.00 10.42 C ATOM 1389 CD LYS A 91 -3.251 -4.465 5.320 1.00 11.13 C ATOM 1390 CE LYS A 91 -3.717 -5.787 5.939 1.00 41.20 C ATOM 1391 NZ LYS A 91 -5.103 -5.711 6.437 1.00 61.04 N ATOM 0 H LYS A 91 -4.150 -2.418 2.149 1.00 11.32 H new ATOM 0 HA LYS A 91 -4.683 -4.972 1.409 1.00 31.33 H new ATOM 0 HB2 LYS A 91 -5.503 -3.545 3.971 1.00 63.23 H new ATOM 0 HB3 LYS A 91 -5.450 -5.285 3.772 1.00 63.23 H new ATOM 0 HG2 LYS A 91 -3.015 -5.175 3.300 1.00 10.42 H new ATOM 0 HG3 LYS A 91 -3.053 -3.429 3.442 1.00 10.42 H new ATOM 0 HD2 LYS A 91 -2.183 -4.348 5.504 1.00 11.13 H new ATOM 0 HD3 LYS A 91 -3.755 -3.642 5.828 1.00 11.13 H new ATOM 0 HE2 LYS A 91 -3.643 -6.580 5.195 1.00 41.20 H new ATOM 0 HE3 LYS A 91 -3.052 -6.056 6.760 1.00 41.20 H new ATOM 0 HZ1 LYS A 91 -5.183 -6.249 7.324 1.00 61.04 H new ATOM 0 HZ2 LYS A 91 -5.356 -4.717 6.611 1.00 61.04 H new ATOM 0 HZ3 LYS A 91 -5.749 -6.114 5.728 1.00 61.04 H new ATOM 1405 N ILE A 92 -7.556 -3.420 2.094 1.00 10.31 N ATOM 1406 CA ILE A 92 -8.986 -3.349 1.805 1.00 34.43 C ATOM 1407 C ILE A 92 -9.246 -3.604 0.319 1.00 60.54 C ATOM 1408 O ILE A 92 -10.003 -4.509 -0.027 1.00 22.54 O ATOM 1409 CB ILE A 92 -9.554 -1.979 2.235 1.00 23.54 C ATOM 1410 CG1 ILE A 92 -9.369 -1.732 3.742 1.00 32.10 C ATOM 1411 CG2 ILE A 92 -11.055 -1.882 1.912 1.00 21.12 C ATOM 1412 CD1 ILE A 92 -8.235 -0.752 4.056 1.00 33.11 C ATOM 0 H ILE A 92 -7.243 -2.684 2.728 1.00 10.31 H new ATOM 0 HA ILE A 92 -9.495 -4.125 2.376 1.00 34.43 H new ATOM 0 HB ILE A 92 -9.000 -1.225 1.677 1.00 23.54 H new ATOM 0 HG12 ILE A 92 -10.300 -1.346 4.158 1.00 32.10 H new ATOM 0 HG13 ILE A 92 -9.168 -2.682 4.238 1.00 32.10 H new ATOM 0 HG21 ILE A 92 -11.432 -0.908 2.224 1.00 21.12 H new ATOM 0 HG22 ILE A 92 -11.205 -2.002 0.839 1.00 21.12 H new ATOM 0 HG23 ILE A 92 -11.593 -2.667 2.444 1.00 21.12 H new ATOM 0 HD11 ILE A 92 -8.156 -0.621 5.135 1.00 33.11 H new ATOM 0 HD12 ILE A 92 -7.296 -1.147 3.669 1.00 33.11 H new ATOM 0 HD13 ILE A 92 -8.445 0.210 3.588 1.00 33.11 H new ATOM 1424 N GLY A 93 -8.591 -2.817 -0.544 1.00 33.34 N ATOM 1425 CA GLY A 93 -8.668 -2.942 -1.989 1.00 65.43 C ATOM 1426 C GLY A 93 -8.459 -4.385 -2.443 1.00 43.24 C ATOM 1427 O GLY A 93 -9.303 -4.927 -3.152 1.00 11.34 O ATOM 0 H GLY A 93 -7.980 -2.059 -0.240 1.00 33.34 H new ATOM 0 HA2 GLY A 93 -9.640 -2.589 -2.333 1.00 65.43 H new ATOM 0 HA3 GLY A 93 -7.915 -2.303 -2.450 1.00 65.43 H new ATOM 1431 N ASP A 94 -7.350 -5.006 -2.019 1.00 52.52 N ATOM 1432 CA ASP A 94 -6.996 -6.360 -2.416 1.00 42.14 C ATOM 1433 C ASP A 94 -8.076 -7.361 -2.016 1.00 61.01 C ATOM 1434 O ASP A 94 -8.601 -8.051 -2.883 1.00 23.35 O ATOM 1435 CB ASP A 94 -5.640 -6.774 -1.830 1.00 63.42 C ATOM 1436 CG ASP A 94 -4.529 -5.770 -2.122 1.00 61.40 C ATOM 1437 OD1 ASP A 94 -4.357 -5.441 -3.315 1.00 63.52 O ATOM 1438 OD2 ASP A 94 -3.868 -5.353 -1.146 1.00 63.21 O ATOM 0 H ASP A 94 -6.675 -4.574 -1.388 1.00 52.52 H new ATOM 0 HA ASP A 94 -6.916 -6.366 -3.503 1.00 42.14 H new ATOM 0 HB2 ASP A 94 -5.739 -6.894 -0.751 1.00 63.42 H new ATOM 0 HB3 ASP A 94 -5.358 -7.746 -2.234 1.00 63.42 H new ATOM 1443 N TYR A 95 -8.410 -7.457 -0.723 1.00 75.34 N ATOM 1444 CA TYR A 95 -9.345 -8.458 -0.231 1.00 11.22 C ATOM 1445 C TYR A 95 -10.754 -8.286 -0.801 1.00 75.02 C ATOM 1446 O TYR A 95 -11.423 -9.289 -1.039 1.00 34.54 O ATOM 1447 CB TYR A 95 -9.299 -8.531 1.296 1.00 75.01 C ATOM 1448 CG TYR A 95 -7.919 -8.905 1.798 1.00 35.11 C ATOM 1449 CD1 TYR A 95 -7.390 -10.164 1.458 1.00 64.10 C ATOM 1450 CD2 TYR A 95 -7.055 -7.897 2.257 1.00 74.11 C ATOM 1451 CE1 TYR A 95 -6.000 -10.360 1.429 1.00 62.12 C ATOM 1452 CE2 TYR A 95 -5.663 -8.070 2.169 1.00 25.44 C ATOM 1453 CZ TYR A 95 -5.135 -9.291 1.723 1.00 62.23 C ATOM 1454 OH TYR A 95 -3.787 -9.435 1.579 1.00 51.01 O ATOM 0 H TYR A 95 -8.038 -6.844 0.002 1.00 75.34 H new ATOM 0 HA TYR A 95 -9.024 -9.431 -0.603 1.00 11.22 H new ATOM 0 HB2 TYR A 95 -9.590 -7.568 1.715 1.00 75.01 H new ATOM 0 HB3 TYR A 95 -10.025 -9.264 1.647 1.00 75.01 H new ATOM 0 HD1 TYR A 95 -8.055 -10.981 1.219 1.00 64.10 H new ATOM 0 HD2 TYR A 95 -7.461 -6.989 2.678 1.00 74.11 H new ATOM 0 HE1 TYR A 95 -5.596 -11.330 1.181 1.00 62.12 H new ATOM 0 HE2 TYR A 95 -5.000 -7.263 2.445 1.00 25.44 H new ATOM 0 HH TYR A 95 -3.341 -8.598 1.825 1.00 51.01 H new ATOM 1464 N LYS A 96 -11.193 -7.052 -1.080 1.00 74.44 N ATOM 1465 CA LYS A 96 -12.427 -6.829 -1.828 1.00 60.44 C ATOM 1466 C LYS A 96 -12.291 -7.354 -3.263 1.00 35.03 C ATOM 1467 O LYS A 96 -13.194 -8.033 -3.746 1.00 13.32 O ATOM 1468 CB LYS A 96 -12.825 -5.342 -1.832 1.00 31.12 C ATOM 1469 CG LYS A 96 -13.782 -4.959 -0.692 1.00 1.13 C ATOM 1470 CD LYS A 96 -13.120 -4.995 0.691 1.00 13.42 C ATOM 1471 CE LYS A 96 -14.120 -4.732 1.823 1.00 33.13 C ATOM 1472 NZ LYS A 96 -14.698 -3.378 1.757 1.00 12.21 N ATOM 0 H LYS A 96 -10.711 -6.199 -0.798 1.00 74.44 H new ATOM 0 HA LYS A 96 -13.221 -7.383 -1.327 1.00 60.44 H new ATOM 0 HB2 LYS A 96 -11.924 -4.733 -1.759 1.00 31.12 H new ATOM 0 HB3 LYS A 96 -13.295 -5.103 -2.786 1.00 31.12 H new ATOM 0 HG2 LYS A 96 -14.172 -3.958 -0.875 1.00 1.13 H new ATOM 0 HG3 LYS A 96 -14.634 -5.639 -0.698 1.00 1.13 H new ATOM 0 HD2 LYS A 96 -12.652 -5.968 0.842 1.00 13.42 H new ATOM 0 HD3 LYS A 96 -12.326 -4.249 0.731 1.00 13.42 H new ATOM 0 HE2 LYS A 96 -14.921 -5.469 1.775 1.00 33.13 H new ATOM 0 HE3 LYS A 96 -13.621 -4.865 2.783 1.00 33.13 H new ATOM 0 HZ1 LYS A 96 -15.329 -3.230 2.571 1.00 12.21 H new ATOM 0 HZ2 LYS A 96 -13.934 -2.673 1.778 1.00 12.21 H new ATOM 0 HZ3 LYS A 96 -15.240 -3.275 0.876 1.00 12.21 H new ATOM 1486 N ARG A 97 -11.190 -7.021 -3.951 1.00 44.12 N ATOM 1487 CA ARG A 97 -11.005 -7.318 -5.368 1.00 11.52 C ATOM 1488 C ARG A 97 -10.870 -8.816 -5.648 1.00 64.43 C ATOM 1489 O ARG A 97 -11.493 -9.323 -6.578 1.00 13.52 O ATOM 1490 CB ARG A 97 -9.800 -6.556 -5.914 1.00 53.24 C ATOM 1491 CG ARG A 97 -10.185 -5.095 -6.181 1.00 44.24 C ATOM 1492 CD ARG A 97 -10.937 -4.875 -7.503 1.00 32.22 C ATOM 1493 NE ARG A 97 -10.125 -5.277 -8.660 1.00 54.00 N ATOM 1494 CZ ARG A 97 -10.566 -5.337 -9.928 1.00 1.22 C ATOM 1495 NH1 ARG A 97 -11.819 -4.976 -10.237 1.00 55.33 N ATOM 1496 NH2 ARG A 97 -9.740 -5.762 -10.893 1.00 45.40 N ATOM 0 H ARG A 97 -10.399 -6.534 -3.531 1.00 44.12 H new ATOM 0 HA ARG A 97 -11.906 -6.986 -5.884 1.00 11.52 H new ATOM 0 HB2 ARG A 97 -8.977 -6.600 -5.201 1.00 53.24 H new ATOM 0 HB3 ARG A 97 -9.450 -7.023 -6.834 1.00 53.24 H new ATOM 0 HG2 ARG A 97 -10.805 -4.738 -5.359 1.00 44.24 H new ATOM 0 HG3 ARG A 97 -9.280 -4.487 -6.185 1.00 44.24 H new ATOM 0 HD2 ARG A 97 -11.866 -5.446 -7.493 1.00 32.22 H new ATOM 0 HD3 ARG A 97 -11.210 -3.824 -7.597 1.00 32.22 H new ATOM 0 HE ARG A 97 -9.152 -5.530 -8.487 1.00 54.00 H new ATOM 0 HH11 ARG A 97 -12.451 -4.651 -9.506 1.00 55.33 H new ATOM 0 HH12 ARG A 97 -12.141 -5.027 -11.204 1.00 55.33 H new ATOM 0 HH21 ARG A 97 -8.785 -6.037 -10.663 1.00 45.40 H new ATOM 0 HH22 ARG A 97 -10.066 -5.811 -11.858 1.00 45.40 H new ATOM 1510 N GLN A 98 -10.026 -9.508 -4.874 1.00 13.24 N ATOM 1511 CA GLN A 98 -9.724 -10.919 -5.065 1.00 23.35 C ATOM 1512 C GLN A 98 -10.957 -11.787 -4.790 1.00 24.44 C ATOM 1513 O GLN A 98 -11.208 -12.748 -5.513 1.00 4.43 O ATOM 1514 CB GLN A 98 -8.497 -11.322 -4.233 1.00 3.21 C ATOM 1515 CG GLN A 98 -8.767 -11.383 -2.726 1.00 14.20 C ATOM 1516 CD GLN A 98 -7.475 -11.331 -1.920 1.00 32.45 C ATOM 1517 OE1 GLN A 98 -6.751 -10.338 -1.955 1.00 34.10 O ATOM 1518 NE2 GLN A 98 -7.190 -12.391 -1.169 1.00 1.53 N ATOM 0 H GLN A 98 -9.529 -9.091 -4.087 1.00 13.24 H new ATOM 0 HA GLN A 98 -9.463 -11.091 -6.109 1.00 23.35 H new ATOM 0 HB2 GLN A 98 -8.145 -12.297 -4.570 1.00 3.21 H new ATOM 0 HB3 GLN A 98 -7.693 -10.611 -4.420 1.00 3.21 H new ATOM 0 HG2 GLN A 98 -9.410 -10.551 -2.437 1.00 14.20 H new ATOM 0 HG3 GLN A 98 -9.307 -12.300 -2.490 1.00 14.20 H new ATOM 0 HE21 GLN A 98 -7.815 -13.197 -1.166 1.00 1.53 H new ATOM 0 HE22 GLN A 98 -6.346 -12.398 -0.596 1.00 1.53 H new ATOM 1527 N ASN A 99 -11.741 -11.425 -3.766 1.00 3.25 N ATOM 1528 CA ASN A 99 -13.031 -12.028 -3.471 1.00 22.14 C ATOM 1529 C ASN A 99 -14.064 -11.555 -4.502 1.00 4.44 C ATOM 1530 O ASN A 99 -13.849 -10.531 -5.147 1.00 54.23 O ATOM 1531 CB ASN A 99 -13.454 -11.584 -2.064 1.00 64.23 C ATOM 1532 CG ASN A 99 -12.594 -12.170 -0.946 1.00 61.22 C ATOM 1533 OD1 ASN A 99 -11.656 -12.927 -1.187 1.00 44.54 O ATOM 1534 ND2 ASN A 99 -12.928 -11.821 0.296 1.00 11.23 N ATOM 0 H ASN A 99 -11.483 -10.688 -3.110 1.00 3.25 H new ATOM 0 HA ASN A 99 -12.965 -13.115 -3.516 1.00 22.14 H new ATOM 0 HB2 ASN A 99 -13.412 -10.496 -2.009 1.00 64.23 H new ATOM 0 HB3 ASN A 99 -14.492 -11.872 -1.899 1.00 64.23 H new ATOM 0 HD21 ASN A 99 -12.398 -12.185 1.088 1.00 11.23 H new ATOM 0 HD22 ASN A 99 -13.714 -11.190 0.455 1.00 11.23 H new ATOM 1541 N PRO A 100 -15.192 -12.267 -4.668 1.00 45.52 N ATOM 1542 CA PRO A 100 -16.251 -11.861 -5.580 1.00 64.21 C ATOM 1543 C PRO A 100 -16.902 -10.552 -5.114 1.00 13.23 C ATOM 1544 O PRO A 100 -16.541 -9.485 -5.609 1.00 50.44 O ATOM 1545 CB PRO A 100 -17.219 -13.051 -5.651 1.00 70.42 C ATOM 1546 CG PRO A 100 -16.977 -13.804 -4.341 1.00 60.01 C ATOM 1547 CD PRO A 100 -15.493 -13.561 -4.072 1.00 54.11 C ATOM 0 HA PRO A 100 -15.881 -11.634 -6.580 1.00 64.21 H new ATOM 0 HB2 PRO A 100 -18.254 -12.719 -5.735 1.00 70.42 H new ATOM 0 HB3 PRO A 100 -17.015 -13.681 -6.517 1.00 70.42 H new ATOM 0 HG2 PRO A 100 -17.601 -13.420 -3.534 1.00 60.01 H new ATOM 0 HG3 PRO A 100 -17.200 -14.866 -4.439 1.00 60.01 H new ATOM 0 HD2 PRO A 100 -15.284 -13.557 -3.002 1.00 54.11 H new ATOM 0 HD3 PRO A 100 -14.881 -14.347 -4.514 1.00 54.11 H new ATOM 1555 N THR A 101 -17.868 -10.621 -4.189 1.00 4.31 N ATOM 1556 CA THR A 101 -18.631 -9.480 -3.706 1.00 14.32 C ATOM 1557 C THR A 101 -18.789 -9.567 -2.183 1.00 22.45 C ATOM 1558 O THR A 101 -19.894 -9.438 -1.660 1.00 75.12 O ATOM 1559 CB THR A 101 -19.988 -9.463 -4.428 1.00 5.32 C ATOM 1560 OG1 THR A 101 -20.634 -10.710 -4.261 1.00 24.01 O ATOM 1561 CG2 THR A 101 -19.832 -9.185 -5.927 1.00 34.44 C ATOM 0 H THR A 101 -18.142 -11.499 -3.749 1.00 4.31 H new ATOM 0 HA THR A 101 -18.112 -8.546 -3.921 1.00 14.32 H new ATOM 0 HB THR A 101 -20.582 -8.662 -3.988 1.00 5.32 H new ATOM 0 HG1 THR A 101 -21.499 -10.694 -4.721 1.00 24.01 H new ATOM 0 HG21 THR A 101 -20.814 -9.181 -6.400 1.00 34.44 H new ATOM 0 HG22 THR A 101 -19.357 -8.214 -6.070 1.00 34.44 H new ATOM 0 HG23 THR A 101 -19.214 -9.961 -6.379 1.00 34.44 H new ATOM 1569 N MET A 102 -17.678 -9.790 -1.470 1.00 32.14 N ATOM 1570 CA MET A 102 -17.675 -9.941 -0.020 1.00 4.10 C ATOM 1571 C MET A 102 -17.635 -8.587 0.688 1.00 15.55 C ATOM 1572 O MET A 102 -17.533 -7.536 0.055 1.00 41.01 O ATOM 1573 CB MET A 102 -16.506 -10.840 0.401 1.00 15.43 C ATOM 1574 CG MET A 102 -16.796 -12.311 0.091 1.00 11.24 C ATOM 1575 SD MET A 102 -17.486 -13.335 1.425 1.00 44.53 S ATOM 1576 CE MET A 102 -18.904 -12.379 2.025 1.00 43.11 C ATOM 0 H MET A 102 -16.753 -9.870 -1.891 1.00 32.14 H new ATOM 0 HA MET A 102 -18.606 -10.419 0.284 1.00 4.10 H new ATOM 0 HB2 MET A 102 -15.600 -10.529 -0.118 1.00 15.43 H new ATOM 0 HB3 MET A 102 -16.319 -10.721 1.468 1.00 15.43 H new ATOM 0 HG2 MET A 102 -17.487 -12.346 -0.751 1.00 11.24 H new ATOM 0 HG3 MET A 102 -15.866 -12.774 -0.240 1.00 11.24 H new ATOM 0 HE1 MET A 102 -19.421 -12.943 2.801 1.00 43.11 H new ATOM 0 HE2 MET A 102 -18.556 -11.431 2.436 1.00 43.11 H new ATOM 0 HE3 MET A 102 -19.589 -12.187 1.199 1.00 43.11 H new ATOM 1586 N PHE A 103 -17.750 -8.640 2.019 1.00 62.44 N ATOM 1587 CA PHE A 103 -17.964 -7.490 2.888 1.00 74.14 C ATOM 1588 C PHE A 103 -17.062 -7.590 4.115 1.00 31.34 C ATOM 1589 O PHE A 103 -16.645 -8.686 4.487 1.00 31.10 O ATOM 1590 CB PHE A 103 -19.442 -7.426 3.296 1.00 45.43 C ATOM 1591 CG PHE A 103 -20.403 -7.462 2.123 1.00 73.14 C ATOM 1592 CD1 PHE A 103 -20.469 -6.371 1.236 1.00 51.12 C ATOM 1593 CD2 PHE A 103 -21.134 -8.633 1.844 1.00 3.45 C ATOM 1594 CE1 PHE A 103 -21.266 -6.447 0.082 1.00 0.33 C ATOM 1595 CE2 PHE A 103 -21.942 -8.703 0.696 1.00 24.44 C ATOM 1596 CZ PHE A 103 -22.007 -7.611 -0.186 1.00 13.54 C ATOM 0 H PHE A 103 -17.694 -9.519 2.534 1.00 62.44 H new ATOM 0 HA PHE A 103 -17.710 -6.574 2.354 1.00 74.14 H new ATOM 0 HB2 PHE A 103 -19.662 -8.262 3.960 1.00 45.43 H new ATOM 0 HB3 PHE A 103 -19.613 -6.513 3.866 1.00 45.43 H new ATOM 0 HD1 PHE A 103 -19.905 -5.473 1.443 1.00 51.12 H new ATOM 0 HD2 PHE A 103 -21.074 -9.479 2.513 1.00 3.45 H new ATOM 0 HE1 PHE A 103 -21.310 -5.611 -0.600 1.00 0.33 H new ATOM 0 HE2 PHE A 103 -22.513 -9.597 0.492 1.00 24.44 H new ATOM 0 HZ PHE A 103 -22.626 -7.666 -1.069 1.00 13.54 H new ATOM 1606 N ALA A 104 -16.766 -6.427 4.714 1.00 23.11 N ATOM 1607 CA ALA A 104 -15.826 -6.207 5.812 1.00 53.31 C ATOM 1608 C ALA A 104 -15.791 -7.334 6.848 1.00 2.45 C ATOM 1609 O ALA A 104 -14.714 -7.766 7.254 1.00 21.40 O ATOM 1610 CB ALA A 104 -16.173 -4.880 6.486 1.00 1.45 C ATOM 0 H ALA A 104 -17.211 -5.557 4.420 1.00 23.11 H new ATOM 0 HA ALA A 104 -14.826 -6.186 5.379 1.00 53.31 H new ATOM 0 HB1 ALA A 104 -15.482 -4.698 7.309 1.00 1.45 H new ATOM 0 HB2 ALA A 104 -16.093 -4.071 5.760 1.00 1.45 H new ATOM 0 HB3 ALA A 104 -17.192 -4.923 6.871 1.00 1.45 H new ATOM 1616 N TRP A 105 -16.975 -7.792 7.274 1.00 55.34 N ATOM 1617 CA TRP A 105 -17.150 -8.879 8.225 1.00 72.05 C ATOM 1618 C TRP A 105 -16.315 -10.104 7.849 1.00 4.12 C ATOM 1619 O TRP A 105 -15.540 -10.589 8.670 1.00 20.44 O ATOM 1620 CB TRP A 105 -18.639 -9.230 8.320 1.00 53.14 C ATOM 1621 CG TRP A 105 -19.510 -8.079 8.712 1.00 22.41 C ATOM 1622 CD1 TRP A 105 -20.229 -7.310 7.864 1.00 74.40 C ATOM 1623 CD2 TRP A 105 -19.707 -7.502 10.036 1.00 13.42 C ATOM 1624 NE1 TRP A 105 -20.848 -6.294 8.561 1.00 13.33 N ATOM 1625 CE2 TRP A 105 -20.547 -6.358 9.907 1.00 22.43 C ATOM 1626 CE3 TRP A 105 -19.251 -7.822 11.334 1.00 40.41 C ATOM 1627 CZ2 TRP A 105 -20.904 -5.563 11.005 1.00 74.31 C ATOM 1628 CZ3 TRP A 105 -19.606 -7.031 12.444 1.00 74.24 C ATOM 1629 CH2 TRP A 105 -20.425 -5.900 12.281 1.00 52.23 C ATOM 0 H TRP A 105 -17.860 -7.399 6.952 1.00 55.34 H new ATOM 0 HA TRP A 105 -16.794 -8.549 9.201 1.00 72.05 H new ATOM 0 HB2 TRP A 105 -18.974 -9.614 7.356 1.00 53.14 H new ATOM 0 HB3 TRP A 105 -18.767 -10.033 9.046 1.00 53.14 H new ATOM 0 HD1 TRP A 105 -20.307 -7.468 6.798 1.00 74.40 H new ATOM 0 HE1 TRP A 105 -21.450 -5.587 8.138 1.00 13.33 H new ATOM 0 HE3 TRP A 105 -18.620 -8.687 11.478 1.00 40.41 H new ATOM 0 HZ2 TRP A 105 -21.540 -4.701 10.871 1.00 74.31 H new ATOM 0 HZ3 TRP A 105 -19.246 -7.295 13.428 1.00 74.24 H new ATOM 0 HH2 TRP A 105 -20.685 -5.292 13.135 1.00 52.23 H new ATOM 1640 N GLU A 106 -16.455 -10.587 6.607 1.00 20.41 N ATOM 1641 CA GLU A 106 -15.678 -11.712 6.114 1.00 44.12 C ATOM 1642 C GLU A 106 -14.221 -11.308 5.894 1.00 31.51 C ATOM 1643 O GLU A 106 -13.335 -12.101 6.195 1.00 70.44 O ATOM 1644 CB GLU A 106 -16.320 -12.292 4.846 1.00 40.24 C ATOM 1645 CG GLU A 106 -15.718 -13.659 4.474 1.00 51.04 C ATOM 1646 CD GLU A 106 -14.385 -13.571 3.727 1.00 51.35 C ATOM 1647 OE1 GLU A 106 -14.260 -12.668 2.871 1.00 10.32 O ATOM 1648 OE2 GLU A 106 -13.514 -14.419 4.017 1.00 53.23 O ATOM 0 H GLU A 106 -17.110 -10.205 5.925 1.00 20.41 H new ATOM 0 HA GLU A 106 -15.679 -12.500 6.867 1.00 44.12 H new ATOM 0 HB2 GLU A 106 -17.394 -12.397 4.998 1.00 40.24 H new ATOM 0 HB3 GLU A 106 -16.182 -11.597 4.018 1.00 40.24 H new ATOM 0 HG2 GLU A 106 -15.575 -14.241 5.384 1.00 51.04 H new ATOM 0 HG3 GLU A 106 -16.433 -14.203 3.857 1.00 51.04 H new ATOM 1655 N ILE A 107 -13.962 -10.090 5.392 1.00 21.31 N ATOM 1656 CA ILE A 107 -12.603 -9.628 5.107 1.00 25.43 C ATOM 1657 C ILE A 107 -11.687 -9.744 6.330 1.00 24.02 C ATOM 1658 O ILE A 107 -10.509 -10.070 6.175 1.00 62.43 O ATOM 1659 CB ILE A 107 -12.587 -8.203 4.528 1.00 21.12 C ATOM 1660 CG1 ILE A 107 -13.444 -8.060 3.259 1.00 31.32 C ATOM 1661 CG2 ILE A 107 -11.145 -7.760 4.243 1.00 50.52 C ATOM 1662 CD1 ILE A 107 -13.280 -9.167 2.216 1.00 54.34 C ATOM 0 H ILE A 107 -14.686 -9.405 5.175 1.00 21.31 H new ATOM 0 HA ILE A 107 -12.205 -10.293 4.341 1.00 25.43 H new ATOM 0 HB ILE A 107 -13.030 -7.554 5.284 1.00 21.12 H new ATOM 0 HG12 ILE A 107 -14.492 -8.018 3.554 1.00 31.32 H new ATOM 0 HG13 ILE A 107 -13.207 -7.106 2.789 1.00 31.32 H new ATOM 0 HG21 ILE A 107 -11.149 -6.750 3.834 1.00 50.52 H new ATOM 0 HG22 ILE A 107 -10.570 -7.774 5.169 1.00 50.52 H new ATOM 0 HG23 ILE A 107 -10.691 -8.441 3.524 1.00 50.52 H new ATOM 0 HD11 ILE A 107 -13.930 -8.964 1.365 1.00 54.34 H new ATOM 0 HD12 ILE A 107 -12.243 -9.200 1.881 1.00 54.34 H new ATOM 0 HD13 ILE A 107 -13.549 -10.126 2.658 1.00 54.34 H new ATOM 1674 N ARG A 108 -12.222 -9.504 7.536 1.00 74.32 N ATOM 1675 CA ARG A 108 -11.500 -9.730 8.780 1.00 44.22 C ATOM 1676 C ARG A 108 -10.867 -11.126 8.779 1.00 24.43 C ATOM 1677 O ARG A 108 -9.653 -11.259 8.908 1.00 23.50 O ATOM 1678 CB ARG A 108 -12.452 -9.559 9.972 1.00 41.11 C ATOM 1679 CG ARG A 108 -11.673 -9.582 11.293 1.00 53.44 C ATOM 1680 CD ARG A 108 -12.616 -9.589 12.498 1.00 42.21 C ATOM 1681 NE ARG A 108 -11.863 -9.491 13.756 1.00 4.02 N ATOM 1682 CZ ARG A 108 -11.146 -10.477 14.322 1.00 70.30 C ATOM 1683 NH1 ARG A 108 -11.124 -11.711 13.801 1.00 44.40 N ATOM 1684 NH2 ARG A 108 -10.431 -10.219 15.425 1.00 11.34 N ATOM 0 H ARG A 108 -13.169 -9.148 7.668 1.00 74.32 H new ATOM 0 HA ARG A 108 -10.699 -8.996 8.869 1.00 44.22 H new ATOM 0 HB2 ARG A 108 -12.994 -8.618 9.879 1.00 41.11 H new ATOM 0 HB3 ARG A 108 -13.195 -10.356 9.968 1.00 41.11 H new ATOM 0 HG2 ARG A 108 -11.034 -10.464 11.325 1.00 53.44 H new ATOM 0 HG3 ARG A 108 -11.019 -8.712 11.346 1.00 53.44 H new ATOM 0 HD2 ARG A 108 -13.315 -8.756 12.422 1.00 42.21 H new ATOM 0 HD3 ARG A 108 -13.209 -10.504 12.495 1.00 42.21 H new ATOM 0 HE ARG A 108 -11.886 -8.595 14.243 1.00 4.02 H new ATOM 0 HH11 ARG A 108 -11.659 -11.918 12.957 1.00 44.40 H new ATOM 0 HH12 ARG A 108 -10.573 -12.444 14.248 1.00 44.40 H new ATOM 0 HH21 ARG A 108 -10.434 -9.282 15.827 1.00 11.34 H new ATOM 0 HH22 ARG A 108 -9.883 -10.960 15.863 1.00 11.34 H new ATOM 1698 N ASP A 109 -11.699 -12.157 8.607 1.00 53.11 N ATOM 1699 CA ASP A 109 -11.283 -13.551 8.582 1.00 4.13 C ATOM 1700 C ASP A 109 -10.482 -13.886 7.321 1.00 13.13 C ATOM 1701 O ASP A 109 -9.616 -14.757 7.373 1.00 25.50 O ATOM 1702 CB ASP A 109 -12.509 -14.454 8.722 1.00 25.13 C ATOM 1703 CG ASP A 109 -13.279 -14.154 10.006 1.00 45.51 C ATOM 1704 OD1 ASP A 109 -12.909 -14.744 11.043 1.00 13.31 O ATOM 1705 OD2 ASP A 109 -14.207 -13.319 9.931 1.00 13.10 O ATOM 0 H ASP A 109 -12.704 -12.036 8.479 1.00 53.11 H new ATOM 0 HA ASP A 109 -10.616 -13.727 9.426 1.00 4.13 H new ATOM 0 HB2 ASP A 109 -13.165 -14.316 7.862 1.00 25.13 H new ATOM 0 HB3 ASP A 109 -12.196 -15.498 8.719 1.00 25.13 H new ATOM 1710 N ARG A 110 -10.747 -13.202 6.197 1.00 73.21 N ATOM 1711 CA ARG A 110 -10.047 -13.413 4.936 1.00 14.40 C ATOM 1712 C ARG A 110 -8.546 -13.207 5.110 1.00 53.50 C ATOM 1713 O ARG A 110 -7.757 -14.009 4.619 1.00 0.10 O ATOM 1714 CB ARG A 110 -10.603 -12.492 3.840 1.00 41.23 C ATOM 1715 CG ARG A 110 -10.113 -12.866 2.435 1.00 61.45 C ATOM 1716 CD ARG A 110 -10.717 -14.184 1.925 1.00 24.44 C ATOM 1717 NE ARG A 110 -10.143 -14.564 0.629 1.00 22.04 N ATOM 1718 CZ ARG A 110 -8.907 -15.061 0.460 1.00 75.35 C ATOM 1719 NH1 ARG A 110 -8.097 -15.267 1.507 1.00 13.51 N ATOM 1720 NH2 ARG A 110 -8.461 -15.345 -0.770 1.00 74.42 N ATOM 0 H ARG A 110 -11.464 -12.479 6.146 1.00 73.21 H new ATOM 0 HA ARG A 110 -10.213 -14.444 4.625 1.00 14.40 H new ATOM 0 HB2 ARG A 110 -11.692 -12.529 3.860 1.00 41.23 H new ATOM 0 HB3 ARG A 110 -10.315 -11.463 4.057 1.00 41.23 H new ATOM 0 HG2 ARG A 110 -10.365 -12.064 1.742 1.00 61.45 H new ATOM 0 HG3 ARG A 110 -9.026 -12.949 2.444 1.00 61.45 H new ATOM 0 HD2 ARG A 110 -10.536 -14.976 2.652 1.00 24.44 H new ATOM 0 HD3 ARG A 110 -11.798 -14.079 1.830 1.00 24.44 H new ATOM 0 HE ARG A 110 -10.723 -14.442 -0.201 1.00 22.04 H new ATOM 0 HH11 ARG A 110 -8.416 -15.046 2.450 1.00 13.51 H new ATOM 0 HH12 ARG A 110 -7.161 -15.645 1.361 1.00 13.51 H new ATOM 0 HH21 ARG A 110 -9.060 -15.184 -1.580 1.00 74.42 H new ATOM 0 HH22 ARG A 110 -7.522 -15.722 -0.897 1.00 74.42 H new ATOM 1734 N LEU A 111 -8.162 -12.141 5.821 1.00 55.25 N ATOM 1735 CA LEU A 111 -6.777 -11.829 6.140 1.00 1.22 C ATOM 1736 C LEU A 111 -6.122 -12.955 6.945 1.00 61.11 C ATOM 1737 O LEU A 111 -4.978 -13.314 6.674 1.00 74.11 O ATOM 1738 CB LEU A 111 -6.731 -10.514 6.924 1.00 13.54 C ATOM 1739 CG LEU A 111 -7.070 -9.304 6.041 1.00 35.23 C ATOM 1740 CD1 LEU A 111 -7.641 -8.167 6.890 1.00 73.41 C ATOM 1741 CD2 LEU A 111 -5.805 -8.811 5.334 1.00 11.53 C ATOM 0 H LEU A 111 -8.824 -11.461 6.195 1.00 55.25 H new ATOM 0 HA LEU A 111 -6.216 -11.725 5.211 1.00 1.22 H new ATOM 0 HB2 LEU A 111 -7.433 -10.563 7.756 1.00 13.54 H new ATOM 0 HB3 LEU A 111 -5.738 -10.383 7.353 1.00 13.54 H new ATOM 0 HG LEU A 111 -7.813 -9.610 5.304 1.00 35.23 H new ATOM 0 HD11 LEU A 111 -7.876 -7.317 6.249 1.00 73.41 H new ATOM 0 HD12 LEU A 111 -8.548 -8.506 7.390 1.00 73.41 H new ATOM 0 HD13 LEU A 111 -6.906 -7.866 7.637 1.00 73.41 H new ATOM 0 HD21 LEU A 111 -6.049 -7.952 4.708 1.00 11.53 H new ATOM 0 HD22 LEU A 111 -5.063 -8.519 6.077 1.00 11.53 H new ATOM 0 HD23 LEU A 111 -5.401 -9.610 4.712 1.00 11.53 H new ATOM 1753 N LEU A 112 -6.841 -13.508 7.930 1.00 51.13 N ATOM 1754 CA LEU A 112 -6.344 -14.599 8.761 1.00 74.22 C ATOM 1755 C LEU A 112 -6.121 -15.846 7.902 1.00 35.33 C ATOM 1756 O LEU A 112 -5.052 -16.452 7.954 1.00 53.35 O ATOM 1757 CB LEU A 112 -7.308 -14.896 9.925 1.00 74.44 C ATOM 1758 CG LEU A 112 -7.711 -13.665 10.756 1.00 43.02 C ATOM 1759 CD1 LEU A 112 -8.568 -14.095 11.953 1.00 4.15 C ATOM 1760 CD2 LEU A 112 -6.502 -12.878 11.264 1.00 31.34 C ATOM 0 H LEU A 112 -7.786 -13.207 8.169 1.00 51.13 H new ATOM 0 HA LEU A 112 -5.391 -14.298 9.196 1.00 74.22 H new ATOM 0 HB2 LEU A 112 -8.210 -15.357 9.523 1.00 74.44 H new ATOM 0 HB3 LEU A 112 -6.843 -15.628 10.586 1.00 74.44 H new ATOM 0 HG LEU A 112 -8.281 -13.012 10.095 1.00 43.02 H new ATOM 0 HD11 LEU A 112 -8.848 -13.217 12.534 1.00 4.15 H new ATOM 0 HD12 LEU A 112 -9.468 -14.595 11.595 1.00 4.15 H new ATOM 0 HD13 LEU A 112 -7.998 -14.779 12.581 1.00 4.15 H new ATOM 0 HD21 LEU A 112 -6.844 -12.021 11.844 1.00 31.34 H new ATOM 0 HD22 LEU A 112 -5.888 -13.521 11.895 1.00 31.34 H new ATOM 0 HD23 LEU A 112 -5.912 -12.531 10.416 1.00 31.34 H new ATOM 1772 N ALA A 113 -7.129 -16.211 7.100 1.00 55.41 N ATOM 1773 CA ALA A 113 -7.107 -17.370 6.219 1.00 3.14 C ATOM 1774 C ALA A 113 -6.001 -17.264 5.165 1.00 22.50 C ATOM 1775 O ALA A 113 -5.334 -18.257 4.879 1.00 4.23 O ATOM 1776 CB ALA A 113 -8.480 -17.525 5.559 1.00 22.32 C ATOM 0 H ALA A 113 -8.004 -15.689 7.050 1.00 55.41 H new ATOM 0 HA ALA A 113 -6.887 -18.256 6.815 1.00 3.14 H new ATOM 0 HB1 ALA A 113 -8.470 -18.391 4.898 1.00 22.32 H new ATOM 0 HB2 ALA A 113 -9.240 -17.664 6.328 1.00 22.32 H new ATOM 0 HB3 ALA A 113 -8.709 -16.630 4.981 1.00 22.32 H new ATOM 1782 N GLU A 114 -5.802 -16.068 4.596 1.00 2.54 N ATOM 1783 CA GLU A 114 -4.750 -15.802 3.625 1.00 11.10 C ATOM 1784 C GLU A 114 -3.375 -15.939 4.287 1.00 11.15 C ATOM 1785 O GLU A 114 -2.441 -16.451 3.673 1.00 2.25 O ATOM 1786 CB GLU A 114 -4.953 -14.397 3.035 1.00 14.45 C ATOM 1787 CG GLU A 114 -4.070 -14.139 1.806 1.00 44.04 C ATOM 1788 CD GLU A 114 -4.453 -15.017 0.616 1.00 23.22 C ATOM 1789 OE1 GLU A 114 -5.649 -14.990 0.244 1.00 14.13 O ATOM 1790 OE2 GLU A 114 -3.548 -15.705 0.098 1.00 62.34 O ATOM 0 H GLU A 114 -6.378 -15.252 4.804 1.00 2.54 H new ATOM 0 HA GLU A 114 -4.799 -16.529 2.815 1.00 11.10 H new ATOM 0 HB2 GLU A 114 -6.000 -14.271 2.758 1.00 14.45 H new ATOM 0 HB3 GLU A 114 -4.733 -13.651 3.799 1.00 14.45 H new ATOM 0 HG2 GLU A 114 -4.149 -13.090 1.520 1.00 44.04 H new ATOM 0 HG3 GLU A 114 -3.027 -14.321 2.067 1.00 44.04 H new ATOM 1797 N GLY A 115 -3.264 -15.484 5.541 1.00 53.52 N ATOM 1798 CA GLY A 115 -2.037 -15.501 6.321 1.00 65.31 C ATOM 1799 C GLY A 115 -1.337 -14.153 6.194 1.00 61.40 C ATOM 1800 O GLY A 115 -0.173 -14.090 5.803 1.00 73.01 O ATOM 0 H GLY A 115 -4.053 -15.084 6.049 1.00 53.52 H new ATOM 0 HA2 GLY A 115 -2.261 -15.710 7.367 1.00 65.31 H new ATOM 0 HA3 GLY A 115 -1.381 -16.298 5.970 1.00 65.31 H new ATOM 1804 N VAL A 116 -2.072 -13.079 6.506 1.00 52.34 N ATOM 1805 CA VAL A 116 -1.650 -11.695 6.334 1.00 1.52 C ATOM 1806 C VAL A 116 -1.621 -11.013 7.700 1.00 61.21 C ATOM 1807 O VAL A 116 -0.589 -10.476 8.098 1.00 23.12 O ATOM 1808 CB VAL A 116 -2.601 -10.994 5.348 1.00 73.41 C ATOM 1809 CG1 VAL A 116 -2.259 -9.507 5.195 1.00 23.11 C ATOM 1810 CG2 VAL A 116 -2.515 -11.666 3.971 1.00 55.51 C ATOM 0 H VAL A 116 -3.010 -13.159 6.899 1.00 52.34 H new ATOM 0 HA VAL A 116 -0.646 -11.641 5.914 1.00 1.52 H new ATOM 0 HB VAL A 116 -3.611 -11.080 5.749 1.00 73.41 H new ATOM 0 HG11 VAL A 116 -2.951 -9.045 4.491 1.00 23.11 H new ATOM 0 HG12 VAL A 116 -2.342 -9.013 6.163 1.00 23.11 H new ATOM 0 HG13 VAL A 116 -1.240 -9.405 4.822 1.00 23.11 H new ATOM 0 HG21 VAL A 116 -3.191 -11.164 3.278 1.00 55.51 H new ATOM 0 HG22 VAL A 116 -1.494 -11.597 3.596 1.00 55.51 H new ATOM 0 HG23 VAL A 116 -2.799 -12.715 4.060 1.00 55.51 H new ATOM 1820 N CYS A 117 -2.755 -11.047 8.409 1.00 11.12 N ATOM 1821 CA CYS A 117 -2.890 -10.532 9.764 1.00 24.43 C ATOM 1822 C CYS A 117 -3.028 -11.685 10.757 1.00 4.43 C ATOM 1823 O CYS A 117 -3.306 -12.821 10.378 1.00 70.25 O ATOM 1824 CB CYS A 117 -4.117 -9.616 9.857 1.00 0.23 C ATOM 1825 SG CYS A 117 -3.807 -8.071 8.969 1.00 71.24 S ATOM 0 H CYS A 117 -3.620 -11.444 8.043 1.00 11.12 H new ATOM 0 HA CYS A 117 -1.996 -9.959 10.011 1.00 24.43 H new ATOM 0 HB2 CYS A 117 -4.988 -10.118 9.436 1.00 0.23 H new ATOM 0 HB3 CYS A 117 -4.345 -9.405 10.902 1.00 0.23 H new ATOM 0 HG CYS A 117 -4.894 -7.359 8.944 1.00 71.24 H new ATOM 1831 N ASP A 118 -2.864 -11.343 12.038 1.00 34.25 N ATOM 1832 CA ASP A 118 -3.226 -12.159 13.185 1.00 74.51 C ATOM 1833 C ASP A 118 -4.570 -11.655 13.718 1.00 21.21 C ATOM 1834 O ASP A 118 -4.980 -10.534 13.418 1.00 53.31 O ATOM 1835 CB ASP A 118 -2.116 -12.061 14.242 1.00 4.44 C ATOM 1836 CG ASP A 118 -2.487 -12.789 15.529 1.00 42.41 C ATOM 1837 OD1 ASP A 118 -2.363 -14.032 15.538 1.00 54.31 O ATOM 1838 OD2 ASP A 118 -2.931 -12.089 16.465 1.00 31.53 O ATOM 0 H ASP A 118 -2.456 -10.448 12.309 1.00 34.25 H new ATOM 0 HA ASP A 118 -3.329 -13.209 12.913 1.00 74.51 H new ATOM 0 HB2 ASP A 118 -1.194 -12.482 13.840 1.00 4.44 H new ATOM 0 HB3 ASP A 118 -1.917 -11.012 14.463 1.00 4.44 H new ATOM 1843 N ASN A 119 -5.258 -12.488 14.506 1.00 52.13 N ATOM 1844 CA ASN A 119 -6.546 -12.179 15.116 1.00 34.24 C ATOM 1845 C ASN A 119 -6.524 -10.880 15.934 1.00 13.43 C ATOM 1846 O ASN A 119 -7.570 -10.255 16.094 1.00 25.11 O ATOM 1847 CB ASN A 119 -6.981 -13.368 15.979 1.00 64.31 C ATOM 1848 CG ASN A 119 -8.392 -13.187 16.536 1.00 75.51 C ATOM 1849 OD1 ASN A 119 -9.325 -12.895 15.790 1.00 62.53 O ATOM 1850 ND2 ASN A 119 -8.557 -13.356 17.849 1.00 41.51 N ATOM 0 H ASN A 119 -4.920 -13.421 14.741 1.00 52.13 H new ATOM 0 HA ASN A 119 -7.269 -12.012 14.318 1.00 34.24 H new ATOM 0 HB2 ASN A 119 -6.940 -14.281 15.385 1.00 64.31 H new ATOM 0 HB3 ASN A 119 -6.279 -13.493 16.804 1.00 64.31 H new ATOM 0 HD21 ASN A 119 -9.481 -13.243 18.266 1.00 41.51 H new ATOM 0 HD22 ASN A 119 -7.759 -13.598 18.436 1.00 41.51 H new ATOM 1857 N ASP A 120 -5.353 -10.465 16.438 1.00 35.00 N ATOM 1858 CA ASP A 120 -5.180 -9.194 17.121 1.00 22.33 C ATOM 1859 C ASP A 120 -4.967 -8.083 16.092 1.00 72.02 C ATOM 1860 O ASP A 120 -5.671 -7.076 16.105 1.00 34.34 O ATOM 1861 CB ASP A 120 -3.983 -9.296 18.071 1.00 40.12 C ATOM 1862 CG ASP A 120 -3.688 -7.962 18.749 1.00 3.02 C ATOM 1863 OD1 ASP A 120 -4.374 -7.668 19.752 1.00 52.41 O ATOM 1864 OD2 ASP A 120 -2.787 -7.256 18.246 1.00 23.21 O ATOM 0 H ASP A 120 -4.496 -11.015 16.377 1.00 35.00 H new ATOM 0 HA ASP A 120 -6.071 -8.955 17.702 1.00 22.33 H new ATOM 0 HB2 ASP A 120 -4.183 -10.053 18.829 1.00 40.12 H new ATOM 0 HB3 ASP A 120 -3.104 -9.625 17.516 1.00 40.12 H new ATOM 1869 N THR A 121 -3.965 -8.266 15.224 1.00 62.44 N ATOM 1870 CA THR A 121 -3.418 -7.208 14.387 1.00 1.23 C ATOM 1871 C THR A 121 -4.358 -6.792 13.249 1.00 74.12 C ATOM 1872 O THR A 121 -4.255 -5.672 12.751 1.00 60.21 O ATOM 1873 CB THR A 121 -2.032 -7.610 13.863 1.00 21.14 C ATOM 1874 OG1 THR A 121 -2.135 -8.688 12.958 1.00 73.54 O ATOM 1875 CG2 THR A 121 -1.089 -7.997 15.010 1.00 1.53 C ATOM 0 H THR A 121 -3.510 -9.168 15.086 1.00 62.44 H new ATOM 0 HA THR A 121 -3.312 -6.323 15.014 1.00 1.23 H new ATOM 0 HB THR A 121 -1.617 -6.743 13.349 1.00 21.14 H new ATOM 0 HG1 THR A 121 -1.242 -8.929 12.633 1.00 73.54 H new ATOM 0 HG21 THR A 121 -0.117 -8.276 14.603 1.00 1.53 H new ATOM 0 HG22 THR A 121 -0.970 -7.150 15.685 1.00 1.53 H new ATOM 0 HG23 THR A 121 -1.509 -8.841 15.557 1.00 1.53 H new ATOM 1883 N VAL A 122 -5.271 -7.685 12.844 1.00 23.04 N ATOM 1884 CA VAL A 122 -6.322 -7.434 11.866 1.00 11.20 C ATOM 1885 C VAL A 122 -7.058 -6.116 12.167 1.00 5.21 C ATOM 1886 O VAL A 122 -7.420 -5.876 13.318 1.00 72.13 O ATOM 1887 CB VAL A 122 -7.267 -8.651 11.842 1.00 75.21 C ATOM 1888 CG1 VAL A 122 -8.073 -8.814 13.137 1.00 42.42 C ATOM 1889 CG2 VAL A 122 -8.219 -8.613 10.648 1.00 45.31 C ATOM 0 H VAL A 122 -5.293 -8.638 13.207 1.00 23.04 H new ATOM 0 HA VAL A 122 -5.890 -7.311 10.873 1.00 11.20 H new ATOM 0 HB VAL A 122 -6.612 -9.517 11.746 1.00 75.21 H new ATOM 0 HG11 VAL A 122 -8.719 -9.688 13.056 1.00 42.42 H new ATOM 0 HG12 VAL A 122 -7.390 -8.944 13.977 1.00 42.42 H new ATOM 0 HG13 VAL A 122 -8.684 -7.926 13.300 1.00 42.42 H new ATOM 0 HG21 VAL A 122 -8.867 -9.490 10.671 1.00 45.31 H new ATOM 0 HG22 VAL A 122 -8.828 -7.710 10.697 1.00 45.31 H new ATOM 0 HG23 VAL A 122 -7.643 -8.612 9.723 1.00 45.31 H new ATOM 1899 N PRO A 123 -7.263 -5.237 11.168 1.00 53.11 N ATOM 1900 CA PRO A 123 -7.876 -3.932 11.372 1.00 52.42 C ATOM 1901 C PRO A 123 -9.375 -4.048 11.663 1.00 23.14 C ATOM 1902 O PRO A 123 -10.004 -5.068 11.384 1.00 71.34 O ATOM 1903 CB PRO A 123 -7.624 -3.156 10.076 1.00 2.22 C ATOM 1904 CG PRO A 123 -7.575 -4.264 9.027 1.00 31.15 C ATOM 1905 CD PRO A 123 -6.869 -5.391 9.778 1.00 71.03 C ATOM 0 HA PRO A 123 -7.448 -3.426 12.238 1.00 52.42 H new ATOM 0 HB2 PRO A 123 -8.420 -2.440 9.872 1.00 2.22 H new ATOM 0 HB3 PRO A 123 -6.691 -2.594 10.115 1.00 2.22 H new ATOM 0 HG2 PRO A 123 -8.572 -4.557 8.698 1.00 31.15 H new ATOM 0 HG3 PRO A 123 -7.023 -3.959 8.138 1.00 31.15 H new ATOM 0 HD2 PRO A 123 -7.166 -6.366 9.392 1.00 71.03 H new ATOM 0 HD3 PRO A 123 -5.787 -5.320 9.666 1.00 71.03 H new ATOM 1913 N SER A 124 -9.934 -2.969 12.223 1.00 3.01 N ATOM 1914 CA SER A 124 -11.341 -2.836 12.569 1.00 11.25 C ATOM 1915 C SER A 124 -12.242 -3.046 11.350 1.00 50.15 C ATOM 1916 O SER A 124 -12.035 -2.410 10.318 1.00 61.35 O ATOM 1917 CB SER A 124 -11.566 -1.436 13.152 1.00 30.51 C ATOM 1918 OG SER A 124 -11.088 -1.374 14.477 1.00 51.25 O ATOM 0 H SER A 124 -9.392 -2.136 12.454 1.00 3.01 H new ATOM 0 HA SER A 124 -11.600 -3.602 13.300 1.00 11.25 H new ATOM 0 HB2 SER A 124 -11.055 -0.693 12.539 1.00 30.51 H new ATOM 0 HB3 SER A 124 -12.628 -1.192 13.130 1.00 30.51 H new ATOM 0 HG SER A 124 -11.236 -0.474 14.837 1.00 51.25 H new ATOM 1924 N VAL A 125 -13.266 -3.899 11.505 1.00 63.15 N ATOM 1925 CA VAL A 125 -14.322 -4.149 10.525 1.00 1.35 C ATOM 1926 C VAL A 125 -14.934 -2.824 10.066 1.00 11.33 C ATOM 1927 O VAL A 125 -15.065 -2.573 8.870 1.00 2.41 O ATOM 1928 CB VAL A 125 -15.396 -5.063 11.148 1.00 2.25 C ATOM 1929 CG1 VAL A 125 -16.592 -5.271 10.210 1.00 42.11 C ATOM 1930 CG2 VAL A 125 -14.811 -6.440 11.488 1.00 10.44 C ATOM 0 H VAL A 125 -13.381 -4.454 12.353 1.00 63.15 H new ATOM 0 HA VAL A 125 -13.900 -4.649 9.653 1.00 1.35 H new ATOM 0 HB VAL A 125 -15.736 -4.561 12.054 1.00 2.25 H new ATOM 0 HG11 VAL A 125 -17.323 -5.921 10.691 1.00 42.11 H new ATOM 0 HG12 VAL A 125 -17.053 -4.308 9.989 1.00 42.11 H new ATOM 0 HG13 VAL A 125 -16.251 -5.732 9.283 1.00 42.11 H new ATOM 0 HG21 VAL A 125 -15.587 -7.067 11.926 1.00 10.44 H new ATOM 0 HG22 VAL A 125 -14.435 -6.910 10.579 1.00 10.44 H new ATOM 0 HG23 VAL A 125 -13.994 -6.323 12.200 1.00 10.44 H new ATOM 1940 N SER A 126 -15.292 -1.969 11.029 1.00 2.30 N ATOM 1941 CA SER A 126 -15.844 -0.652 10.766 1.00 3.22 C ATOM 1942 C SER A 126 -14.884 0.207 9.938 1.00 41.44 C ATOM 1943 O SER A 126 -15.337 0.959 9.079 1.00 52.21 O ATOM 1944 CB SER A 126 -16.190 0.027 12.096 1.00 11.44 C ATOM 1945 OG SER A 126 -15.067 0.062 12.952 1.00 53.31 O ATOM 0 H SER A 126 -15.202 -2.182 12.022 1.00 2.30 H new ATOM 0 HA SER A 126 -16.753 -0.765 10.175 1.00 3.22 H new ATOM 0 HB2 SER A 126 -16.542 1.042 11.910 1.00 11.44 H new ATOM 0 HB3 SER A 126 -17.005 -0.509 12.581 1.00 11.44 H new ATOM 0 HG SER A 126 -15.311 0.501 13.794 1.00 53.31 H new ATOM 1951 N SER A 127 -13.571 0.098 10.196 1.00 24.24 N ATOM 1952 CA SER A 127 -12.573 0.955 9.573 1.00 52.11 C ATOM 1953 C SER A 127 -12.364 0.561 8.115 1.00 31.05 C ATOM 1954 O SER A 127 -12.303 1.441 7.263 1.00 14.35 O ATOM 1955 CB SER A 127 -11.253 0.929 10.348 1.00 62.41 C ATOM 1956 OG SER A 127 -10.354 1.875 9.803 1.00 64.12 O ATOM 0 H SER A 127 -13.181 -0.588 10.842 1.00 24.24 H new ATOM 0 HA SER A 127 -12.945 1.979 9.599 1.00 52.11 H new ATOM 0 HB2 SER A 127 -11.435 1.151 11.400 1.00 62.41 H new ATOM 0 HB3 SER A 127 -10.815 -0.068 10.304 1.00 62.41 H new ATOM 0 HG SER A 127 -9.513 1.854 10.305 1.00 64.12 H new ATOM 1962 N ILE A 128 -12.266 -0.743 7.825 1.00 63.33 N ATOM 1963 CA ILE A 128 -12.133 -1.231 6.456 1.00 21.33 C ATOM 1964 C ILE A 128 -13.421 -1.020 5.651 1.00 2.43 C ATOM 1965 O ILE A 128 -13.362 -0.776 4.446 1.00 1.22 O ATOM 1966 CB ILE A 128 -11.655 -2.692 6.407 1.00 52.10 C ATOM 1967 CG1 ILE A 128 -12.614 -3.654 7.122 1.00 60.32 C ATOM 1968 CG2 ILE A 128 -10.222 -2.798 6.948 1.00 25.22 C ATOM 1969 CD1 ILE A 128 -12.112 -5.097 7.176 1.00 12.31 C ATOM 0 H ILE A 128 -12.277 -1.480 8.530 1.00 63.33 H new ATOM 0 HA ILE A 128 -11.357 -0.633 5.979 1.00 21.33 H new ATOM 0 HB ILE A 128 -11.652 -3.004 5.363 1.00 52.10 H new ATOM 0 HG12 ILE A 128 -12.780 -3.298 8.139 1.00 60.32 H new ATOM 0 HG13 ILE A 128 -13.579 -3.633 6.616 1.00 60.32 H new ATOM 0 HG21 ILE A 128 -9.894 -3.837 6.909 1.00 25.22 H new ATOM 0 HG22 ILE A 128 -9.557 -2.184 6.340 1.00 25.22 H new ATOM 0 HG23 ILE A 128 -10.196 -2.448 7.980 1.00 25.22 H new ATOM 0 HD11 ILE A 128 -12.842 -5.717 7.696 1.00 12.31 H new ATOM 0 HD12 ILE A 128 -11.973 -5.472 6.162 1.00 12.31 H new ATOM 0 HD13 ILE A 128 -11.162 -5.132 7.709 1.00 12.31 H new ATOM 1981 N ASN A 129 -14.581 -1.101 6.312 1.00 54.50 N ATOM 1982 CA ASN A 129 -15.874 -0.849 5.693 1.00 44.22 C ATOM 1983 C ASN A 129 -15.979 0.596 5.191 1.00 53.13 C ATOM 1984 O ASN A 129 -16.244 0.818 4.011 1.00 35.53 O ATOM 1985 CB ASN A 129 -17.006 -1.180 6.675 1.00 23.40 C ATOM 1986 CG ASN A 129 -18.371 -1.014 6.014 1.00 14.13 C ATOM 1987 OD1 ASN A 129 -18.863 -1.936 5.369 1.00 13.33 O ATOM 1988 ND2 ASN A 129 -18.982 0.163 6.166 1.00 52.01 N ATOM 0 H ASN A 129 -14.642 -1.346 7.300 1.00 54.50 H new ATOM 0 HA ASN A 129 -15.971 -1.501 4.825 1.00 44.22 H new ATOM 0 HB2 ASN A 129 -16.894 -2.203 7.033 1.00 23.40 H new ATOM 0 HB3 ASN A 129 -16.938 -0.528 7.546 1.00 23.40 H new ATOM 0 HD21 ASN A 129 -19.894 0.323 5.738 1.00 52.01 H new ATOM 0 HD22 ASN A 129 -18.537 0.902 6.710 1.00 52.01 H new ATOM 1995 N ARG A 130 -15.787 1.574 6.090 1.00 75.30 N ATOM 1996 CA ARG A 130 -16.000 2.992 5.801 1.00 5.54 C ATOM 1997 C ARG A 130 -15.090 3.561 4.705 1.00 70.03 C ATOM 1998 O ARG A 130 -15.368 4.655 4.215 1.00 31.22 O ATOM 1999 CB ARG A 130 -15.965 3.837 7.089 1.00 4.13 C ATOM 2000 CG ARG A 130 -14.655 3.765 7.882 1.00 5.13 C ATOM 2001 CD ARG A 130 -13.571 4.759 7.457 1.00 10.41 C ATOM 2002 NE ARG A 130 -12.277 4.331 8.006 1.00 23.42 N ATOM 2003 CZ ARG A 130 -11.186 5.093 8.176 1.00 55.43 C ATOM 2004 NH1 ARG A 130 -11.173 6.380 7.802 1.00 41.34 N ATOM 2005 NH2 ARG A 130 -10.095 4.545 8.726 1.00 11.43 N ATOM 0 H ARG A 130 -15.477 1.396 7.045 1.00 75.30 H new ATOM 0 HA ARG A 130 -17.004 3.058 5.381 1.00 5.54 H new ATOM 0 HB2 ARG A 130 -16.156 4.878 6.827 1.00 4.13 H new ATOM 0 HB3 ARG A 130 -16.781 3.517 7.737 1.00 4.13 H new ATOM 0 HG2 ARG A 130 -14.879 3.928 8.936 1.00 5.13 H new ATOM 0 HG3 ARG A 130 -14.253 2.756 7.794 1.00 5.13 H new ATOM 0 HD2 ARG A 130 -13.518 4.813 6.370 1.00 10.41 H new ATOM 0 HD3 ARG A 130 -13.818 5.759 7.814 1.00 10.41 H new ATOM 0 HE ARG A 130 -12.200 3.353 8.287 1.00 23.42 H new ATOM 0 HH11 ARG A 130 -12.003 6.797 7.380 1.00 41.34 H new ATOM 0 HH12 ARG A 130 -10.333 6.943 7.940 1.00 41.34 H new ATOM 0 HH21 ARG A 130 -10.103 3.565 9.007 1.00 11.43 H new ATOM 0 HH22 ARG A 130 -9.256 5.108 8.864 1.00 11.43 H new ATOM 2019 N ILE A 131 -14.027 2.847 4.305 1.00 54.13 N ATOM 2020 CA ILE A 131 -13.163 3.260 3.202 1.00 32.52 C ATOM 2021 C ILE A 131 -13.985 3.387 1.914 1.00 11.21 C ATOM 2022 O ILE A 131 -13.868 4.378 1.197 1.00 72.33 O ATOM 2023 CB ILE A 131 -12.003 2.265 2.997 1.00 42.22 C ATOM 2024 CG1 ILE A 131 -11.252 1.884 4.284 1.00 52.15 C ATOM 2025 CG2 ILE A 131 -11.010 2.793 1.955 1.00 43.14 C ATOM 2026 CD1 ILE A 131 -10.755 3.052 5.139 1.00 64.13 C ATOM 0 H ILE A 131 -13.747 1.968 4.740 1.00 54.13 H new ATOM 0 HA ILE A 131 -12.732 4.230 3.452 1.00 32.52 H new ATOM 0 HB ILE A 131 -12.476 1.350 2.639 1.00 42.22 H new ATOM 0 HG12 ILE A 131 -11.909 1.265 4.895 1.00 52.15 H new ATOM 0 HG13 ILE A 131 -10.395 1.267 4.013 1.00 52.15 H new ATOM 0 HG21 ILE A 131 -10.200 2.074 1.827 1.00 43.14 H new ATOM 0 HG22 ILE A 131 -11.522 2.936 1.004 1.00 43.14 H new ATOM 0 HG23 ILE A 131 -10.600 3.745 2.293 1.00 43.14 H new ATOM 0 HD11 ILE A 131 -10.241 2.666 6.019 1.00 64.13 H new ATOM 0 HD12 ILE A 131 -10.066 3.663 4.556 1.00 64.13 H new ATOM 0 HD13 ILE A 131 -11.603 3.661 5.452 1.00 64.13 H new ATOM 2038 N ILE A 132 -14.816 2.376 1.630 1.00 22.43 N ATOM 2039 CA ILE A 132 -15.616 2.272 0.415 1.00 25.12 C ATOM 2040 C ILE A 132 -16.532 3.485 0.228 1.00 60.41 C ATOM 2041 O ILE A 132 -16.777 3.886 -0.906 1.00 32.12 O ATOM 2042 CB ILE A 132 -16.409 0.950 0.419 1.00 43.14 C ATOM 2043 CG1 ILE A 132 -15.517 -0.287 0.650 1.00 4.25 C ATOM 2044 CG2 ILE A 132 -17.211 0.784 -0.882 1.00 23.45 C ATOM 2045 CD1 ILE A 132 -14.311 -0.388 -0.291 1.00 21.04 C ATOM 0 H ILE A 132 -14.950 1.587 2.262 1.00 22.43 H new ATOM 0 HA ILE A 132 -14.940 2.265 -0.440 1.00 25.12 H new ATOM 0 HB ILE A 132 -17.097 1.013 1.262 1.00 43.14 H new ATOM 0 HG12 ILE A 132 -15.158 -0.273 1.679 1.00 4.25 H new ATOM 0 HG13 ILE A 132 -16.126 -1.184 0.537 1.00 4.25 H new ATOM 0 HG21 ILE A 132 -17.761 -0.157 -0.853 1.00 23.45 H new ATOM 0 HG22 ILE A 132 -17.913 1.612 -0.985 1.00 23.45 H new ATOM 0 HG23 ILE A 132 -16.529 0.779 -1.732 1.00 23.45 H new ATOM 0 HD11 ILE A 132 -13.741 -1.287 -0.057 1.00 21.04 H new ATOM 0 HD12 ILE A 132 -14.658 -0.437 -1.323 1.00 21.04 H new ATOM 0 HD13 ILE A 132 -13.675 0.488 -0.163 1.00 21.04 H new ATOM 2057 N ARG A 133 -17.017 4.085 1.324 1.00 44.00 N ATOM 2058 CA ARG A 133 -17.859 5.273 1.273 1.00 42.10 C ATOM 2059 C ARG A 133 -17.210 6.401 0.470 1.00 4.44 C ATOM 2060 O ARG A 133 -17.879 7.027 -0.351 1.00 52.14 O ATOM 2061 CB ARG A 133 -18.194 5.760 2.685 1.00 61.21 C ATOM 2062 CG ARG A 133 -18.971 4.705 3.486 1.00 14.00 C ATOM 2063 CD ARG A 133 -19.500 5.291 4.798 1.00 3.13 C ATOM 2064 NE ARG A 133 -18.427 5.901 5.594 1.00 61.03 N ATOM 2065 CZ ARG A 133 -18.623 6.710 6.649 1.00 43.40 C ATOM 2066 NH1 ARG A 133 -19.860 6.954 7.103 1.00 73.11 N ATOM 2067 NH2 ARG A 133 -17.570 7.279 7.253 1.00 61.53 N ATOM 0 H ARG A 133 -16.832 3.754 2.271 1.00 44.00 H new ATOM 0 HA ARG A 133 -18.781 4.990 0.764 1.00 42.10 H new ATOM 0 HB2 ARG A 133 -17.272 6.009 3.211 1.00 61.21 H new ATOM 0 HB3 ARG A 133 -18.783 6.675 2.623 1.00 61.21 H new ATOM 0 HG2 ARG A 133 -19.803 4.330 2.889 1.00 14.00 H new ATOM 0 HG3 ARG A 133 -18.323 3.855 3.699 1.00 14.00 H new ATOM 0 HD2 ARG A 133 -20.262 6.039 4.581 1.00 3.13 H new ATOM 0 HD3 ARG A 133 -19.982 4.505 5.379 1.00 3.13 H new ATOM 0 HE ARG A 133 -17.464 5.696 5.327 1.00 61.03 H new ATOM 0 HH11 ARG A 133 -20.665 6.524 6.647 1.00 73.11 H new ATOM 0 HH12 ARG A 133 -19.997 7.570 7.905 1.00 73.11 H new ATOM 0 HH21 ARG A 133 -16.626 7.097 6.911 1.00 61.53 H new ATOM 0 HH22 ARG A 133 -17.713 7.894 8.054 1.00 61.53 H new ATOM 2081 N THR A 134 -15.916 6.658 0.699 1.00 71.21 N ATOM 2082 CA THR A 134 -15.204 7.727 0.009 1.00 45.14 C ATOM 2083 C THR A 134 -15.055 7.433 -1.489 1.00 34.34 C ATOM 2084 O THR A 134 -14.953 8.369 -2.279 1.00 54.14 O ATOM 2085 CB THR A 134 -13.848 8.017 0.672 1.00 50.11 C ATOM 2086 OG1 THR A 134 -12.953 6.937 0.524 1.00 60.21 O ATOM 2087 CG2 THR A 134 -14.000 8.351 2.161 1.00 4.13 C ATOM 0 H THR A 134 -15.344 6.134 1.361 1.00 71.21 H new ATOM 0 HA THR A 134 -15.807 8.631 0.097 1.00 45.14 H new ATOM 0 HB THR A 134 -13.438 8.887 0.159 1.00 50.11 H new ATOM 0 HG1 THR A 134 -13.396 6.106 0.793 1.00 60.21 H new ATOM 0 HG21 THR A 134 -13.018 8.549 2.591 1.00 4.13 H new ATOM 0 HG22 THR A 134 -14.630 9.233 2.274 1.00 4.13 H new ATOM 0 HG23 THR A 134 -14.459 7.508 2.678 1.00 4.13 H new