USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 553 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 21 HIS : no HE2:sc= -3.95 X(o=-4.4,f=-4.8!) USER MOD Set 1.2: A 53 ASN :FLIP amide:sc= -0.454 F(o=-7.8,f=-4.4) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN :FLIP amide:sc= -2.68! C(o=-3.2!,f=-2.7!) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 19 LYS NZ :NH3+ -140:sc= -4.49! (180deg=-7.77!) USER MOD Single : A 23 HIS : no HD1:sc= -0.042 X(o=-0.042,f=-0.17) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -60:sc= 0.875 USER MOD Single : A 31 ASN : amide:sc= -0.378 K(o=-0.38,f=-0.9!) USER MOD Single : A 33 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.0019) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.486 X(o=-0.49,f=-0.056) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.131 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -106:sc= 0.803 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N MET A 9 -15.193 -6.563 3.425 1.00 1.18 N ATOM 59 CA MET A 9 -14.029 -5.723 3.177 1.00 0.82 C ATOM 60 C MET A 9 -13.196 -6.294 2.036 1.00 0.72 C ATOM 61 O MET A 9 -13.170 -7.506 1.822 1.00 0.97 O ATOM 62 CB MET A 9 -13.177 -5.624 4.439 1.00 1.08 C ATOM 63 CG MET A 9 -12.661 -6.992 4.872 1.00 1.61 C ATOM 64 SD MET A 9 -12.196 -7.037 6.611 1.00 2.27 S ATOM 65 CE MET A 9 -11.321 -8.608 6.686 1.00 2.82 C ATOM 0 HA MET A 9 -14.373 -4.727 2.898 1.00 0.82 H new ATOM 0 HB2 MET A 9 -12.335 -4.956 4.259 1.00 1.08 H new ATOM 0 HB3 MET A 9 -13.766 -5.184 5.244 1.00 1.08 H new ATOM 0 HG2 MET A 9 -13.430 -7.742 4.686 1.00 1.61 H new ATOM 0 HG3 MET A 9 -11.799 -7.261 4.262 1.00 1.61 H new ATOM 0 HE1 MET A 9 -10.969 -8.780 7.703 1.00 2.82 H new ATOM 0 HE2 MET A 9 -11.994 -9.414 6.393 1.00 2.82 H new ATOM 0 HE3 MET A 9 -10.469 -8.583 6.007 1.00 2.82 H new ATOM 75 N ASP A 10 -12.517 -5.416 1.305 1.00 0.49 N ATOM 76 CA ASP A 10 -11.684 -5.838 0.185 1.00 0.42 C ATOM 77 C ASP A 10 -10.208 -5.710 0.538 1.00 0.38 C ATOM 78 O ASP A 10 -9.842 -5.001 1.476 1.00 0.54 O ATOM 79 CB ASP A 10 -11.999 -4.992 -1.045 1.00 0.44 C ATOM 80 CG ASP A 10 -13.086 -3.974 -0.725 1.00 0.86 C ATOM 81 OD1 ASP A 10 -12.909 -3.198 0.238 1.00 1.55 O ATOM 82 OD2 ASP A 10 -14.112 -3.954 -1.437 1.00 1.53 O ATOM 0 H ASP A 10 -12.527 -4.409 1.468 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.900 -6.884 -0.033 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -11.098 -4.478 -1.381 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -12.323 -5.635 -1.863 1.00 0.44 H new ATOM 87 N TYR A 11 -9.364 -6.401 -0.221 1.00 0.40 N ATOM 88 CA TYR A 11 -7.925 -6.369 0.007 1.00 0.37 C ATOM 89 C TYR A 11 -7.174 -6.622 -1.293 1.00 0.34 C ATOM 90 O TYR A 11 -7.742 -7.127 -2.261 1.00 0.38 O ATOM 91 CB TYR A 11 -7.537 -7.419 1.043 1.00 0.42 C ATOM 92 CG TYR A 11 -7.726 -8.831 0.549 1.00 0.48 C ATOM 93 CD1 TYR A 11 -6.710 -9.467 -0.144 1.00 0.57 C ATOM 94 CD2 TYR A 11 -8.914 -9.496 0.787 1.00 0.54 C ATOM 95 CE1 TYR A 11 -6.883 -10.762 -0.596 1.00 0.67 C ATOM 96 CE2 TYR A 11 -9.088 -10.793 0.334 1.00 0.63 C ATOM 97 CZ TYR A 11 -8.071 -11.420 -0.356 1.00 0.67 C ATOM 98 OH TYR A 11 -8.243 -12.708 -0.805 1.00 0.78 O ATOM 0 H TYR A 11 -9.653 -6.991 -1.001 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.655 -5.381 0.380 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -6.494 -7.275 1.325 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -8.134 -7.272 1.943 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -5.780 -8.950 -0.332 1.00 0.57 H new ATOM 0 HD2 TYR A 11 -9.708 -9.003 1.328 1.00 0.54 H new ATOM 0 HE1 TYR A 11 -6.090 -11.257 -1.136 1.00 0.67 H new ATOM 0 HE2 TYR A 11 -10.017 -11.312 0.520 1.00 0.63 H new ATOM 0 HH TYR A 11 -9.135 -13.026 -0.552 1.00 0.78 H new ATOM 108 N VAL A 12 -5.893 -6.267 -1.309 1.00 0.34 N ATOM 109 CA VAL A 12 -5.061 -6.456 -2.493 1.00 0.34 C ATOM 110 C VAL A 12 -3.605 -6.143 -2.175 1.00 0.35 C ATOM 111 O VAL A 12 -3.307 -5.439 -1.209 1.00 0.51 O ATOM 112 CB VAL A 12 -5.550 -5.558 -3.625 1.00 0.38 C ATOM 113 CG1 VAL A 12 -5.516 -4.091 -3.205 1.00 0.52 C ATOM 114 CG2 VAL A 12 -4.719 -5.778 -4.886 1.00 0.81 C ATOM 0 H VAL A 12 -5.408 -5.847 -0.516 1.00 0.34 H new ATOM 0 HA VAL A 12 -5.135 -7.497 -2.806 1.00 0.34 H new ATOM 0 HB VAL A 12 -6.583 -5.824 -3.847 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -5.869 -3.469 -4.027 1.00 0.52 H new ATOM 0 HG12 VAL A 12 -6.160 -3.946 -2.338 1.00 0.52 H new ATOM 0 HG13 VAL A 12 -4.495 -3.809 -2.949 1.00 0.52 H new ATOM 0 HG21 VAL A 12 -5.085 -5.128 -5.681 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -3.674 -5.545 -4.679 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -4.804 -6.818 -5.201 1.00 0.81 H new ATOM 124 N GLU A 13 -2.700 -6.669 -2.992 1.00 0.49 N ATOM 125 CA GLU A 13 -1.272 -6.446 -2.797 1.00 0.54 C ATOM 126 C GLU A 13 -0.608 -6.039 -4.106 1.00 0.50 C ATOM 127 O GLU A 13 -1.046 -6.434 -5.186 1.00 0.60 O ATOM 128 CB GLU A 13 -0.613 -7.712 -2.257 1.00 0.67 C ATOM 129 CG GLU A 13 -1.470 -8.379 -1.184 1.00 1.05 C ATOM 130 CD GLU A 13 -0.891 -9.739 -0.819 1.00 1.43 C ATOM 131 OE1 GLU A 13 0.200 -9.780 -0.212 1.00 2.05 O ATOM 132 OE2 GLU A 13 -1.530 -10.764 -1.140 1.00 1.97 O ATOM 0 H GLU A 13 -2.930 -7.253 -3.796 1.00 0.49 H new ATOM 0 HA GLU A 13 -1.146 -5.639 -2.076 1.00 0.54 H new ATOM 0 HB2 GLU A 13 -0.444 -8.412 -3.075 1.00 0.67 H new ATOM 0 HB3 GLU A 13 0.364 -7.465 -1.842 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -1.515 -7.745 -0.298 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -2.492 -8.496 -1.545 1.00 1.05 H new ATOM 139 N ILE A 14 0.456 -5.248 -4.000 1.00 0.48 N ATOM 140 CA ILE A 14 1.188 -4.787 -5.173 1.00 0.49 C ATOM 141 C ILE A 14 2.631 -5.273 -5.121 1.00 0.48 C ATOM 142 O ILE A 14 3.192 -5.463 -4.042 1.00 0.43 O ATOM 143 CB ILE A 14 1.155 -3.264 -5.244 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.699 -2.652 -3.954 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.260 -2.765 -5.517 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.899 -1.145 -4.089 1.00 0.63 C ATOM 0 H ILE A 14 0.830 -4.913 -3.112 1.00 0.48 H new ATOM 0 HA ILE A 14 0.712 -5.196 -6.064 1.00 0.49 H new ATOM 0 HB ILE A 14 1.793 -2.950 -6.070 1.00 0.52 H new ATOM 0 HG12 ILE A 14 1.010 -2.856 -3.135 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.647 -3.124 -3.698 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.259 -1.676 -5.563 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.611 -3.168 -6.467 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -0.922 -3.093 -4.716 1.00 0.64 H new ATOM 0 HD11 ILE A 14 2.287 -0.744 -3.153 1.00 0.63 H new ATOM 0 HD12 ILE A 14 2.608 -0.943 -4.892 1.00 0.63 H new ATOM 0 HD13 ILE A 14 0.945 -0.671 -4.319 1.00 0.63 H new ATOM 158 N ASN A 15 3.227 -5.480 -6.292 1.00 0.59 N ATOM 159 CA ASN A 15 4.604 -5.952 -6.374 1.00 0.62 C ATOM 160 C ASN A 15 5.571 -4.781 -6.490 1.00 0.60 C ATOM 161 O ASN A 15 5.278 -3.780 -7.144 1.00 0.78 O ATOM 162 CB ASN A 15 4.768 -6.881 -7.573 1.00 0.79 C ATOM 163 CG ASN A 15 4.278 -8.281 -7.228 1.00 1.31 C ATOM 164 OD1 ASN A 15 2.965 -8.438 -7.115 1.00 2.20 O flip ATOM 165 ND2 ASN A 15 5.074 -9.207 -7.067 1.00 1.54 N flip ATOM 0 H ASN A 15 2.778 -5.328 -7.195 1.00 0.59 H new ATOM 0 HA ASN A 15 4.833 -6.500 -5.460 1.00 0.62 H new ATOM 0 HB2 ASN A 15 4.208 -6.491 -8.423 1.00 0.79 H new ATOM 0 HB3 ASN A 15 5.816 -6.918 -7.872 1.00 0.79 H new ATOM 0 HD21 ASN A 15 6.076 -9.041 -7.164 1.00 1.54 H new ATOM 0 HD22 ASN A 15 4.731 -10.140 -6.837 1.00 1.54 H new ATOM 172 N ILE A 16 6.729 -4.916 -5.849 1.00 0.49 N ATOM 173 CA ILE A 16 7.752 -3.876 -5.871 1.00 0.49 C ATOM 174 C ILE A 16 9.134 -4.499 -5.706 1.00 0.56 C ATOM 175 O ILE A 16 9.266 -5.616 -5.204 1.00 0.66 O ATOM 176 CB ILE A 16 7.480 -2.858 -4.762 1.00 0.48 C ATOM 177 CG1 ILE A 16 6.182 -2.107 -5.040 1.00 0.63 C ATOM 178 CG2 ILE A 16 8.637 -1.872 -4.604 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.902 -1.058 -3.969 1.00 0.84 C ATOM 0 H ILE A 16 6.983 -5.741 -5.305 1.00 0.49 H new ATOM 0 HA ILE A 16 7.721 -3.360 -6.831 1.00 0.49 H new ATOM 0 HB ILE A 16 7.382 -3.408 -3.826 1.00 0.48 H new ATOM 0 HG12 ILE A 16 6.241 -1.625 -6.016 1.00 0.63 H new ATOM 0 HG13 ILE A 16 5.354 -2.814 -5.083 1.00 0.63 H new ATOM 0 HG21 ILE A 16 8.406 -1.165 -3.807 1.00 0.58 H new ATOM 0 HG22 ILE A 16 9.547 -2.417 -4.354 1.00 0.58 H new ATOM 0 HG23 ILE A 16 8.783 -1.330 -5.538 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.970 -0.543 -4.199 1.00 0.84 H new ATOM 0 HD12 ILE A 16 5.817 -1.544 -2.997 1.00 0.84 H new ATOM 0 HD13 ILE A 16 6.719 -0.337 -3.944 1.00 0.84 H new ATOM 191 N ASP A 17 10.160 -3.775 -6.139 1.00 0.63 N ATOM 192 CA ASP A 17 11.532 -4.261 -6.047 1.00 0.75 C ATOM 193 C ASP A 17 12.399 -3.297 -5.250 1.00 1.00 C ATOM 194 O ASP A 17 12.784 -3.585 -4.116 1.00 1.75 O ATOM 195 CB ASP A 17 12.112 -4.434 -7.445 1.00 1.27 C ATOM 196 CG ASP A 17 11.635 -5.745 -8.059 1.00 1.63 C ATOM 197 OD1 ASP A 17 10.406 -5.950 -8.143 1.00 2.16 O ATOM 198 OD2 ASP A 17 12.491 -6.564 -8.452 1.00 2.21 O ATOM 0 H ASP A 17 10.068 -2.849 -6.557 1.00 0.63 H new ATOM 0 HA ASP A 17 11.521 -5.222 -5.532 1.00 0.75 H new ATOM 0 HB2 ASP A 17 11.811 -3.598 -8.077 1.00 1.27 H new ATOM 0 HB3 ASP A 17 13.201 -4.422 -7.398 1.00 1.27 H new ATOM 203 N HIS A 18 12.710 -2.151 -5.851 1.00 1.27 N ATOM 204 CA HIS A 18 13.541 -1.138 -5.203 1.00 1.85 C ATOM 205 C HIS A 18 13.092 -0.902 -3.766 1.00 1.32 C ATOM 206 O HIS A 18 11.991 -1.294 -3.379 1.00 2.00 O ATOM 207 CB HIS A 18 13.473 0.169 -5.987 1.00 2.83 C ATOM 208 CG HIS A 18 14.722 0.450 -6.763 1.00 3.48 C ATOM 209 ND1 HIS A 18 15.266 -0.434 -7.658 1.00 4.01 N ATOM 210 CD2 HIS A 18 15.551 1.525 -6.785 1.00 4.16 C ATOM 211 CE1 HIS A 18 16.356 0.055 -8.199 1.00 4.73 C ATOM 212 NE2 HIS A 18 16.563 1.258 -7.688 1.00 4.84 N ATOM 0 H HIS A 18 12.398 -1.900 -6.789 1.00 1.27 H new ATOM 0 HA HIS A 18 14.569 -1.499 -5.187 1.00 1.85 H new ATOM 0 HB2 HIS A 18 12.626 0.132 -6.672 1.00 2.83 H new ATOM 0 HB3 HIS A 18 13.288 0.992 -5.296 1.00 2.83 H new ATOM 0 HD2 HIS A 18 15.440 2.427 -6.202 1.00 4.16 H new ATOM 0 HE1 HIS A 18 16.976 -0.438 -8.933 1.00 4.73 H new ATOM 0 HE2 HIS A 18 17.336 1.881 -7.920 1.00 4.84 H new ATOM 220 N LYS A 19 13.951 -0.263 -2.980 1.00 0.82 N ATOM 221 CA LYS A 19 13.644 0.024 -1.583 1.00 0.84 C ATOM 222 C LYS A 19 12.579 1.108 -1.482 1.00 0.77 C ATOM 223 O LYS A 19 12.827 2.187 -0.943 1.00 1.13 O ATOM 224 CB LYS A 19 14.906 0.466 -0.849 1.00 1.47 C ATOM 225 CG LYS A 19 16.110 -0.383 -1.247 1.00 1.97 C ATOM 226 CD LYS A 19 16.892 -0.858 -0.026 1.00 2.72 C ATOM 227 CE LYS A 19 16.709 -2.354 0.213 1.00 3.37 C ATOM 228 NZ LYS A 19 17.236 -2.758 1.547 1.00 4.03 N ATOM 0 H LYS A 19 14.866 0.067 -3.286 1.00 0.82 H new ATOM 0 HA LYS A 19 13.262 -0.885 -1.120 1.00 0.84 H new ATOM 0 HB2 LYS A 19 15.109 1.514 -1.070 1.00 1.47 H new ATOM 0 HB3 LYS A 19 14.747 0.393 0.227 1.00 1.47 H new ATOM 0 HG2 LYS A 19 15.773 -1.246 -1.822 1.00 1.97 H new ATOM 0 HG3 LYS A 19 16.766 0.197 -1.897 1.00 1.97 H new ATOM 0 HD2 LYS A 19 17.951 -0.638 -0.163 1.00 2.72 H new ATOM 0 HD3 LYS A 19 16.563 -0.306 0.854 1.00 2.72 H new ATOM 0 HE2 LYS A 19 15.651 -2.608 0.145 1.00 3.37 H new ATOM 0 HE3 LYS A 19 17.222 -2.915 -0.568 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 17.723 -3.673 1.465 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 17.905 -2.039 1.888 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 16.448 -2.845 2.220 1.00 4.03 H new ATOM 242 N PHE A 20 11.395 0.814 -2.005 1.00 0.63 N ATOM 243 CA PHE A 20 10.287 1.761 -1.976 1.00 0.61 C ATOM 244 C PHE A 20 9.711 1.871 -0.573 1.00 0.62 C ATOM 245 O PHE A 20 9.255 2.937 -0.159 1.00 0.95 O ATOM 246 CB PHE A 20 9.209 1.317 -2.957 1.00 0.62 C ATOM 247 CG PHE A 20 9.021 2.293 -4.087 1.00 0.75 C ATOM 248 CD1 PHE A 20 8.271 3.440 -3.894 1.00 0.96 C ATOM 249 CD2 PHE A 20 9.588 2.041 -5.324 1.00 1.08 C ATOM 250 CE1 PHE A 20 8.090 4.334 -4.935 1.00 1.17 C ATOM 251 CE2 PHE A 20 9.407 2.934 -6.364 1.00 1.26 C ATOM 252 CZ PHE A 20 8.688 4.097 -6.161 1.00 1.19 C ATOM 0 H PHE A 20 11.177 -0.075 -2.455 1.00 0.63 H new ATOM 0 HA PHE A 20 10.656 2.744 -2.269 1.00 0.61 H new ATOM 0 HB2 PHE A 20 9.473 0.341 -3.364 1.00 0.62 H new ATOM 0 HB3 PHE A 20 8.265 1.196 -2.425 1.00 0.62 H new ATOM 0 HD1 PHE A 20 7.826 3.638 -2.930 1.00 0.96 H new ATOM 0 HD2 PHE A 20 10.173 1.146 -5.477 1.00 1.08 H new ATOM 0 HE1 PHE A 20 7.483 5.216 -4.791 1.00 1.17 H new ATOM 0 HE2 PHE A 20 9.828 2.723 -7.336 1.00 1.26 H new ATOM 0 HZ PHE A 20 8.593 4.820 -6.958 1.00 1.19 H new ATOM 262 N HIS A 21 9.743 0.765 0.158 1.00 0.53 N ATOM 263 CA HIS A 21 9.229 0.733 1.520 1.00 0.57 C ATOM 264 C HIS A 21 9.875 1.820 2.362 1.00 0.69 C ATOM 265 O HIS A 21 9.230 2.798 2.739 1.00 1.03 O ATOM 266 CB HIS A 21 9.512 -0.625 2.148 1.00 0.54 C ATOM 267 CG HIS A 21 8.798 -1.745 1.456 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.300 -2.841 2.113 1.00 0.48 N ATOM 269 CD2 HIS A 21 8.476 -1.944 0.151 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.709 -3.662 1.277 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.798 -3.146 0.063 1.00 0.42 N ATOM 0 H HIS A 21 10.121 -0.124 -0.171 1.00 0.53 H new ATOM 0 HA HIS A 21 8.153 0.905 1.485 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.585 -0.815 2.124 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.215 -0.604 3.197 1.00 0.54 H new ATOM 0 HD1 HIS A 21 8.379 -2.997 3.118 1.00 0.48 H new ATOM 0 HD2 HIS A 21 8.708 -1.282 -0.670 1.00 0.44 H new ATOM 0 HE1 HIS A 21 7.233 -4.596 1.536 1.00 0.45 H new ATOM 279 N ARG A 22 11.155 1.634 2.662 1.00 0.68 N ATOM 280 CA ARG A 22 11.899 2.585 3.470 1.00 0.80 C ATOM 281 C ARG A 22 11.731 4.005 2.935 1.00 0.81 C ATOM 282 O ARG A 22 11.807 4.974 3.689 1.00 0.92 O ATOM 283 CB ARG A 22 13.379 2.212 3.484 1.00 0.93 C ATOM 284 CG ARG A 22 13.967 2.300 4.889 1.00 1.64 C ATOM 285 CD ARG A 22 15.441 1.908 4.905 1.00 2.14 C ATOM 286 NE ARG A 22 16.275 3.070 5.197 1.00 2.73 N ATOM 287 CZ ARG A 22 16.953 3.699 4.244 1.00 3.33 C ATOM 288 NH1 ARG A 22 16.309 4.296 3.250 1.00 3.72 N ATOM 289 NH2 ARG A 22 18.279 3.734 4.284 1.00 3.95 N ATOM 0 H ARG A 22 11.699 0.828 2.355 1.00 0.68 H new ATOM 0 HA ARG A 22 11.506 2.550 4.486 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.503 1.200 3.100 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.929 2.876 2.817 1.00 0.93 H new ATOM 0 HG2 ARG A 22 13.856 3.316 5.268 1.00 1.64 H new ATOM 0 HG3 ARG A 22 13.409 1.647 5.560 1.00 1.64 H new ATOM 0 HD2 ARG A 22 15.610 1.134 5.654 1.00 2.14 H new ATOM 0 HD3 ARG A 22 15.721 1.485 3.941 1.00 2.14 H new ATOM 0 HE ARG A 22 16.339 3.407 6.157 1.00 2.73 H new ATOM 0 HH11 ARG A 22 15.290 4.273 3.216 1.00 3.72 H new ATOM 0 HH12 ARG A 22 16.833 4.778 2.520 1.00 3.72 H new ATOM 0 HH21 ARG A 22 18.778 3.277 5.047 1.00 3.95 H new ATOM 0 HH22 ARG A 22 18.799 4.217 3.551 1.00 3.95 H new ATOM 303 N HIS A 23 11.513 4.118 1.630 1.00 0.90 N ATOM 304 CA HIS A 23 11.345 5.419 0.988 1.00 0.98 C ATOM 305 C HIS A 23 9.974 6.011 1.302 1.00 0.96 C ATOM 306 O HIS A 23 9.858 7.197 1.613 1.00 1.12 O ATOM 307 CB HIS A 23 11.508 5.276 -0.523 1.00 1.02 C ATOM 308 CG HIS A 23 12.810 5.813 -1.029 1.00 1.30 C ATOM 309 ND1 HIS A 23 14.002 5.634 -0.377 1.00 1.83 N ATOM 310 CD2 HIS A 23 13.122 6.532 -2.139 1.00 1.56 C ATOM 311 CE1 HIS A 23 14.987 6.201 -1.036 1.00 2.07 C ATOM 312 NE2 HIS A 23 14.485 6.762 -2.123 1.00 1.86 N ATOM 0 H HIS A 23 11.448 3.324 0.994 1.00 0.90 H new ATOM 0 HA HIS A 23 12.109 6.092 1.377 1.00 0.98 H new ATOM 0 HB2 HIS A 23 11.427 4.223 -0.793 1.00 1.02 H new ATOM 0 HB3 HIS A 23 10.690 5.796 -1.021 1.00 1.02 H new ATOM 0 HD2 HIS A 23 12.429 6.864 -2.898 1.00 1.56 H new ATOM 0 HE1 HIS A 23 16.026 6.208 -0.741 1.00 2.07 H new ATOM 0 HE2 HIS A 23 15.013 7.276 -2.828 1.00 1.86 H new ATOM 320 N LEU A 24 8.940 5.184 1.203 1.00 0.86 N ATOM 321 CA LEU A 24 7.575 5.627 1.461 1.00 0.87 C ATOM 322 C LEU A 24 7.344 5.874 2.946 1.00 0.97 C ATOM 323 O LEU A 24 6.734 6.873 3.329 1.00 1.16 O ATOM 324 CB LEU A 24 6.589 4.581 0.955 1.00 0.73 C ATOM 325 CG LEU A 24 6.688 4.407 -0.556 1.00 0.76 C ATOM 326 CD1 LEU A 24 6.544 2.938 -0.941 1.00 0.72 C ATOM 327 CD2 LEU A 24 5.641 5.260 -1.266 1.00 1.25 C ATOM 0 H LEU A 24 9.021 4.200 0.945 1.00 0.86 H new ATOM 0 HA LEU A 24 7.419 6.567 0.932 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.784 3.628 1.446 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.574 4.876 1.223 1.00 0.73 H new ATOM 0 HG LEU A 24 7.674 4.745 -0.875 1.00 0.76 H new ATOM 0 HD11 LEU A 24 6.618 2.837 -2.024 1.00 0.72 H new ATOM 0 HD12 LEU A 24 7.336 2.358 -0.468 1.00 0.72 H new ATOM 0 HD13 LEU A 24 5.575 2.568 -0.607 1.00 0.72 H new ATOM 0 HD21 LEU A 24 5.729 5.121 -2.344 1.00 1.25 H new ATOM 0 HD22 LEU A 24 4.645 4.959 -0.941 1.00 1.25 H new ATOM 0 HD23 LEU A 24 5.800 6.310 -1.021 1.00 1.25 H new ATOM 339 N ILE A 25 7.824 4.960 3.781 1.00 0.92 N ATOM 340 CA ILE A 25 7.654 5.085 5.225 1.00 1.10 C ATOM 341 C ILE A 25 8.639 6.093 5.809 1.00 1.41 C ATOM 342 O ILE A 25 9.431 5.761 6.692 1.00 1.91 O ATOM 343 CB ILE A 25 7.841 3.727 5.896 1.00 0.94 C ATOM 344 CG1 ILE A 25 9.267 3.219 5.714 1.00 0.90 C ATOM 345 CG2 ILE A 25 6.844 2.708 5.355 1.00 1.06 C ATOM 346 CD1 ILE A 25 9.784 2.569 6.991 1.00 0.91 C ATOM 0 H ILE A 25 8.332 4.127 3.485 1.00 0.92 H new ATOM 0 HA ILE A 25 6.643 5.445 5.416 1.00 1.10 H new ATOM 0 HB ILE A 25 7.656 3.857 6.962 1.00 0.94 H new ATOM 0 HG12 ILE A 25 9.298 2.498 4.897 1.00 0.90 H new ATOM 0 HG13 ILE A 25 9.918 4.047 5.434 1.00 0.90 H new ATOM 0 HG21 ILE A 25 6.999 1.749 5.850 1.00 1.06 H new ATOM 0 HG22 ILE A 25 5.829 3.055 5.547 1.00 1.06 H new ATOM 0 HG23 ILE A 25 6.991 2.590 4.281 1.00 1.06 H new ATOM 0 HD11 ILE A 25 10.803 2.216 6.833 1.00 0.91 H new ATOM 0 HD12 ILE A 25 9.775 3.299 7.800 1.00 0.91 H new ATOM 0 HD13 ILE A 25 9.145 1.726 7.255 1.00 0.91 H new ATOM 358 N GLY A 26 8.579 7.328 5.320 1.00 1.49 N ATOM 359 CA GLY A 26 9.462 8.385 5.800 1.00 1.87 C ATOM 360 C GLY A 26 9.102 8.786 7.223 1.00 1.82 C ATOM 361 O GLY A 26 7.981 8.559 7.677 1.00 2.29 O ATOM 0 H GLY A 26 7.928 7.621 4.592 1.00 1.49 H new ATOM 0 HA2 GLY A 26 10.497 8.045 5.764 1.00 1.87 H new ATOM 0 HA3 GLY A 26 9.389 9.252 5.144 1.00 1.87 H new ATOM 365 N LYS A 27 10.059 9.384 7.926 1.00 1.86 N ATOM 366 CA LYS A 27 9.843 9.818 9.301 1.00 1.91 C ATOM 367 C LYS A 27 9.283 8.674 10.140 1.00 1.62 C ATOM 368 O LYS A 27 8.328 8.856 10.894 1.00 2.38 O ATOM 369 CB LYS A 27 8.879 11.001 9.330 1.00 2.21 C ATOM 370 CG LYS A 27 9.363 12.140 8.438 1.00 2.65 C ATOM 371 CD LYS A 27 8.714 13.468 8.821 1.00 3.30 C ATOM 372 CE LYS A 27 8.394 14.310 7.588 1.00 3.80 C ATOM 373 NZ LYS A 27 7.190 13.797 6.879 1.00 4.51 N ATOM 0 H LYS A 27 10.993 9.579 7.565 1.00 1.86 H new ATOM 0 HA LYS A 27 10.800 10.125 9.722 1.00 1.91 H new ATOM 0 HB2 LYS A 27 7.892 10.675 9.002 1.00 2.21 H new ATOM 0 HB3 LYS A 27 8.772 11.360 10.354 1.00 2.21 H new ATOM 0 HG2 LYS A 27 10.447 12.228 8.515 1.00 2.65 H new ATOM 0 HG3 LYS A 27 9.135 11.910 7.397 1.00 2.65 H new ATOM 0 HD2 LYS A 27 7.798 13.279 9.381 1.00 3.30 H new ATOM 0 HD3 LYS A 27 9.381 14.024 9.479 1.00 3.30 H new ATOM 0 HE2 LYS A 27 8.230 15.346 7.885 1.00 3.80 H new ATOM 0 HE3 LYS A 27 9.247 14.305 6.910 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 6.999 14.390 6.046 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 7.358 12.817 6.575 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 6.371 13.826 7.520 1.00 4.51 H new ATOM 387 N SER A 28 9.884 7.498 10.001 1.00 1.28 N ATOM 388 CA SER A 28 9.450 6.319 10.744 1.00 1.60 C ATOM 389 C SER A 28 8.069 5.872 10.281 1.00 1.60 C ATOM 390 O SER A 28 7.280 5.347 11.067 1.00 2.28 O ATOM 391 CB SER A 28 9.428 6.623 12.239 1.00 1.99 C ATOM 392 OG SER A 28 8.168 7.160 12.619 1.00 2.57 O ATOM 0 H SER A 28 10.676 7.335 9.379 1.00 1.28 H new ATOM 0 HA SER A 28 10.156 5.511 10.555 1.00 1.60 H new ATOM 0 HB2 SER A 28 9.627 5.713 12.804 1.00 1.99 H new ATOM 0 HB3 SER A 28 10.220 7.330 12.484 1.00 1.99 H new ATOM 0 HG SER A 28 8.003 7.989 12.123 1.00 2.57 H new ATOM 398 N GLY A 29 7.780 6.082 9.000 1.00 1.21 N ATOM 399 CA GLY A 29 6.493 5.698 8.431 1.00 1.23 C ATOM 400 C GLY A 29 5.484 6.834 8.544 1.00 1.36 C ATOM 401 O GLY A 29 5.401 7.502 9.575 1.00 2.05 O ATOM 0 H GLY A 29 8.421 6.517 8.336 1.00 1.21 H new ATOM 0 HA2 GLY A 29 6.622 5.424 7.384 1.00 1.23 H new ATOM 0 HA3 GLY A 29 6.112 4.816 8.946 1.00 1.23 H new ATOM 405 N ALA A 30 4.718 7.049 7.478 1.00 1.00 N ATOM 406 CA ALA A 30 3.713 8.107 7.456 1.00 1.10 C ATOM 407 C ALA A 30 2.827 7.982 6.222 1.00 1.06 C ATOM 408 O ALA A 30 1.613 8.175 6.296 1.00 1.43 O ATOM 409 CB ALA A 30 4.394 9.473 7.469 1.00 1.27 C ATOM 0 H ALA A 30 4.774 6.504 6.618 1.00 1.00 H new ATOM 0 HA ALA A 30 3.088 8.008 8.343 1.00 1.10 H new ATOM 0 HB1 ALA A 30 3.637 10.257 7.452 1.00 1.27 H new ATOM 0 HB2 ALA A 30 4.997 9.570 8.372 1.00 1.27 H new ATOM 0 HB3 ALA A 30 5.035 9.569 6.592 1.00 1.27 H new ATOM 415 N ASN A 31 3.440 7.662 5.087 1.00 0.73 N ATOM 416 CA ASN A 31 2.708 7.514 3.834 1.00 0.69 C ATOM 417 C ASN A 31 1.520 6.577 4.012 1.00 0.60 C ATOM 418 O ASN A 31 0.474 6.758 3.388 1.00 0.58 O ATOM 419 CB ASN A 31 3.636 6.970 2.750 1.00 0.71 C ATOM 420 CG ASN A 31 3.031 7.197 1.371 1.00 1.24 C ATOM 421 OD1 ASN A 31 1.882 6.835 1.118 1.00 1.91 O ATOM 422 ND2 ASN A 31 3.806 7.798 0.477 1.00 1.42 N ATOM 0 H ASN A 31 4.444 7.500 5.009 1.00 0.73 H new ATOM 0 HA ASN A 31 2.337 8.494 3.534 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.607 7.461 2.814 1.00 0.71 H new ATOM 0 HB3 ASN A 31 3.806 5.905 2.909 1.00 0.71 H new ATOM 0 HD21 ASN A 31 3.455 7.977 -0.464 1.00 1.42 H new ATOM 0 HD22 ASN A 31 4.753 8.081 0.731 1.00 1.42 H new ATOM 429 N ILE A 32 1.689 5.571 4.865 1.00 0.58 N ATOM 430 CA ILE A 32 0.632 4.600 5.125 1.00 0.56 C ATOM 431 C ILE A 32 -0.633 5.297 5.609 1.00 0.52 C ATOM 432 O ILE A 32 -1.744 4.911 5.246 1.00 0.51 O ATOM 433 CB ILE A 32 1.100 3.591 6.167 1.00 0.63 C ATOM 434 CG1 ILE A 32 1.503 4.300 7.458 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.257 2.755 5.630 1.00 0.69 C ATOM 436 CD1 ILE A 32 1.952 3.306 8.524 1.00 1.07 C ATOM 0 H ILE A 32 2.549 5.407 5.388 1.00 0.58 H new ATOM 0 HA ILE A 32 0.405 4.079 4.195 1.00 0.56 H new ATOM 0 HB ILE A 32 0.270 2.920 6.388 1.00 0.63 H new ATOM 0 HG12 ILE A 32 2.310 5.003 7.252 1.00 0.70 H new ATOM 0 HG13 ILE A 32 0.661 4.882 7.833 1.00 0.70 H new ATOM 0 HG21 ILE A 32 2.574 2.042 6.391 1.00 0.69 H new ATOM 0 HG22 ILE A 32 1.934 2.216 4.740 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.091 3.409 5.375 1.00 0.69 H new ATOM 0 HD11 ILE A 32 2.232 3.845 9.429 1.00 1.07 H new ATOM 0 HD12 ILE A 32 1.136 2.619 8.748 1.00 1.07 H new ATOM 0 HD13 ILE A 32 2.810 2.742 8.158 1.00 1.07 H new ATOM 448 N ASN A 33 -0.458 6.325 6.434 1.00 0.56 N ATOM 449 CA ASN A 33 -1.587 7.076 6.971 1.00 0.59 C ATOM 450 C ASN A 33 -2.143 8.035 5.926 1.00 0.54 C ATOM 451 O ASN A 33 -3.357 8.194 5.802 1.00 0.55 O ATOM 452 CB ASN A 33 -1.153 7.854 8.210 1.00 0.71 C ATOM 453 CG ASN A 33 -2.245 7.812 9.270 1.00 0.97 C ATOM 454 OD1 ASN A 33 -1.993 7.456 10.422 1.00 1.51 O ATOM 455 ND2 ASN A 33 -3.463 8.177 8.882 1.00 1.62 N ATOM 0 H ASN A 33 0.455 6.657 6.745 1.00 0.56 H new ATOM 0 HA ASN A 33 -2.371 6.370 7.245 1.00 0.59 H new ATOM 0 HB2 ASN A 33 -0.232 7.430 8.610 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.937 8.888 7.941 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -4.234 8.169 9.549 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -3.626 8.465 7.917 1.00 1.62 H new ATOM 462 N ARG A 34 -1.250 8.673 5.172 1.00 0.55 N ATOM 463 CA ARG A 34 -1.658 9.617 4.133 1.00 0.56 C ATOM 464 C ARG A 34 -2.734 8.999 3.248 1.00 0.48 C ATOM 465 O ARG A 34 -3.850 9.511 3.162 1.00 0.48 O ATOM 466 CB ARG A 34 -0.455 10.019 3.285 1.00 0.65 C ATOM 467 CG ARG A 34 -0.581 11.455 2.782 1.00 0.89 C ATOM 468 CD ARG A 34 0.338 12.402 3.550 1.00 1.22 C ATOM 469 NE ARG A 34 0.964 13.352 2.638 1.00 1.69 N ATOM 470 CZ ARG A 34 0.509 14.594 2.502 1.00 2.27 C ATOM 471 NH1 ARG A 34 -0.738 14.888 2.844 1.00 2.90 N ATOM 472 NH2 ARG A 34 1.301 15.543 2.022 1.00 2.78 N ATOM 0 H ARG A 34 -0.241 8.554 5.261 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.066 10.506 4.614 1.00 0.56 H new ATOM 0 HB2 ARG A 34 0.457 9.917 3.873 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -0.364 9.341 2.436 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -0.337 11.492 1.720 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -1.614 11.787 2.884 1.00 0.89 H new ATOM 0 HD2 ARG A 34 -0.233 12.938 4.308 1.00 1.22 H new ATOM 0 HD3 ARG A 34 1.105 11.831 4.073 1.00 1.22 H new ATOM 0 HE ARG A 34 1.772 13.056 2.090 1.00 1.69 H new ATOM 0 HH11 ARG A 34 -1.351 14.161 3.212 1.00 2.90 H new ATOM 0 HH12 ARG A 34 -1.084 15.842 2.739 1.00 2.90 H new ATOM 0 HH21 ARG A 34 2.260 15.321 1.757 1.00 2.78 H new ATOM 0 HH22 ARG A 34 0.951 16.495 1.918 1.00 2.78 H new ATOM 486 N ILE A 35 -2.396 7.887 2.603 1.00 0.45 N ATOM 487 CA ILE A 35 -3.340 7.191 1.739 1.00 0.40 C ATOM 488 C ILE A 35 -4.547 6.745 2.552 1.00 0.34 C ATOM 489 O ILE A 35 -5.690 7.030 2.200 1.00 0.34 O ATOM 490 CB ILE A 35 -2.668 5.982 1.099 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.389 6.398 0.378 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.619 5.277 0.140 1.00 0.40 C ATOM 493 CD1 ILE A 35 -1.662 7.468 -0.677 1.00 1.29 C ATOM 0 H ILE A 35 -1.476 7.450 2.663 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.670 7.869 0.951 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.404 5.281 1.891 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -0.668 6.776 1.103 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -0.937 5.526 -0.095 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -3.117 4.418 -0.304 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.501 4.940 0.684 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -3.920 5.968 -0.647 1.00 0.40 H new ATOM 0 HD11 ILE A 35 -0.728 7.740 -1.170 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -2.363 7.080 -1.416 1.00 1.29 H new ATOM 0 HD13 ILE A 35 -2.090 8.349 -0.199 1.00 1.29 H new ATOM 505 N LYS A 36 -4.273 6.047 3.652 1.00 0.35 N ATOM 506 CA LYS A 36 -5.313 5.549 4.551 1.00 0.36 C ATOM 507 C LYS A 36 -6.430 6.574 4.734 1.00 0.39 C ATOM 508 O LYS A 36 -7.602 6.215 4.846 1.00 0.51 O ATOM 509 CB LYS A 36 -4.691 5.218 5.904 1.00 0.44 C ATOM 510 CG LYS A 36 -5.734 4.723 6.902 1.00 1.09 C ATOM 511 CD LYS A 36 -5.554 5.374 8.271 1.00 1.41 C ATOM 512 CE LYS A 36 -5.413 4.330 9.376 1.00 2.17 C ATOM 513 NZ LYS A 36 -6.710 3.648 9.645 1.00 2.76 N ATOM 0 H LYS A 36 -3.325 5.811 3.945 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.750 4.653 4.109 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -3.922 4.456 5.774 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -4.197 6.104 6.304 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -6.733 4.940 6.523 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -5.659 3.640 7.001 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -4.670 6.012 8.258 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -6.408 6.017 8.484 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -4.664 3.592 9.088 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -5.055 4.808 10.288 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -6.582 2.945 10.400 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -7.417 4.351 9.942 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -7.038 3.172 8.780 1.00 2.76 H new ATOM 527 N ASP A 37 -6.059 7.851 4.764 1.00 0.40 N ATOM 528 CA ASP A 37 -7.031 8.925 4.935 1.00 0.45 C ATOM 529 C ASP A 37 -7.418 9.516 3.587 1.00 0.44 C ATOM 530 O ASP A 37 -8.524 10.028 3.415 1.00 0.60 O ATOM 531 CB ASP A 37 -6.451 10.016 5.831 1.00 0.51 C ATOM 532 CG ASP A 37 -7.428 10.358 6.948 1.00 0.82 C ATOM 533 OD1 ASP A 37 -8.345 11.172 6.710 1.00 1.37 O ATOM 534 OD2 ASP A 37 -7.274 9.811 8.061 1.00 1.56 O ATOM 0 H ASP A 37 -5.093 8.166 4.672 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.924 8.511 5.404 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.505 9.682 6.256 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -6.238 10.907 5.240 1.00 0.51 H new ATOM 539 N GLN A 38 -6.497 9.444 2.631 1.00 0.41 N ATOM 540 CA GLN A 38 -6.736 9.972 1.294 1.00 0.46 C ATOM 541 C GLN A 38 -7.712 9.087 0.531 1.00 0.42 C ATOM 542 O GLN A 38 -8.543 9.576 -0.233 1.00 0.68 O ATOM 543 CB GLN A 38 -5.421 10.067 0.531 1.00 0.54 C ATOM 544 CG GLN A 38 -5.597 10.814 -0.785 1.00 0.65 C ATOM 545 CD GLN A 38 -4.429 11.767 -1.021 1.00 1.05 C ATOM 546 OE1 GLN A 38 -4.608 12.860 -1.558 1.00 1.65 O ATOM 547 NE2 GLN A 38 -3.231 11.353 -0.622 1.00 1.66 N ATOM 0 H GLN A 38 -5.576 9.024 2.759 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.172 10.967 1.389 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -4.678 10.577 1.144 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.039 9.065 0.335 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -5.665 10.102 -1.608 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -6.533 11.373 -0.770 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -3.128 10.439 -0.181 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -2.414 11.949 -0.757 1.00 1.66 H new ATOM 556 N TYR A 39 -7.604 7.780 0.739 1.00 0.34 N ATOM 557 CA TYR A 39 -8.476 6.826 0.068 1.00 0.34 C ATOM 558 C TYR A 39 -9.307 6.031 1.073 1.00 0.30 C ATOM 559 O TYR A 39 -9.908 5.018 0.720 1.00 0.32 O ATOM 560 CB TYR A 39 -7.641 5.873 -0.784 1.00 0.39 C ATOM 561 CG TYR A 39 -6.913 6.568 -1.907 1.00 0.46 C ATOM 562 CD1 TYR A 39 -5.777 7.314 -1.645 1.00 0.53 C ATOM 563 CD2 TYR A 39 -7.380 6.464 -3.207 1.00 0.64 C ATOM 564 CE1 TYR A 39 -5.111 7.953 -2.676 1.00 0.62 C ATOM 565 CE2 TYR A 39 -6.713 7.102 -4.238 1.00 0.73 C ATOM 566 CZ TYR A 39 -5.576 7.842 -3.966 1.00 0.66 C ATOM 567 OH TYR A 39 -4.919 8.478 -4.994 1.00 0.77 O ATOM 0 H TYR A 39 -6.921 7.357 1.367 1.00 0.34 H new ATOM 0 HA TYR A 39 -9.161 7.384 -0.571 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -6.916 5.366 -0.147 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -8.291 5.104 -1.201 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.409 7.398 -0.633 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -8.267 5.884 -3.416 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -4.227 8.538 -2.468 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -7.079 7.023 -5.251 1.00 0.73 H new ATOM 0 HH TYR A 39 -5.379 8.294 -5.840 1.00 0.77 H new ATOM 577 N LYS A 40 -9.345 6.490 2.327 1.00 0.28 N ATOM 578 CA LYS A 40 -10.110 5.808 3.371 1.00 0.31 C ATOM 579 C LYS A 40 -9.822 4.309 3.346 1.00 0.29 C ATOM 580 O LYS A 40 -10.733 3.485 3.433 1.00 0.39 O ATOM 581 CB LYS A 40 -11.601 6.062 3.170 1.00 0.38 C ATOM 582 CG LYS A 40 -12.209 6.807 4.355 1.00 0.86 C ATOM 583 CD LYS A 40 -12.258 5.930 5.604 1.00 1.29 C ATOM 584 CE LYS A 40 -13.688 5.531 5.953 1.00 1.88 C ATOM 585 NZ LYS A 40 -14.268 6.442 6.979 1.00 2.56 N ATOM 0 H LYS A 40 -8.856 7.328 2.642 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.811 6.202 4.342 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.752 6.641 2.259 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -12.117 5.112 3.033 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -11.624 7.703 4.561 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -13.217 7.136 4.101 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -11.658 5.034 5.444 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -11.814 6.465 6.443 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -14.304 5.553 5.054 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -13.702 4.506 6.324 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -15.241 6.146 7.196 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -13.693 6.401 7.844 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -14.276 7.416 6.614 1.00 2.56 H new ATOM 599 N VAL A 41 -8.547 3.970 3.209 1.00 0.23 N ATOM 600 CA VAL A 41 -8.120 2.578 3.149 1.00 0.23 C ATOM 601 C VAL A 41 -7.055 2.297 4.204 1.00 0.27 C ATOM 602 O VAL A 41 -6.869 3.087 5.129 1.00 0.33 O ATOM 603 CB VAL A 41 -7.581 2.293 1.751 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.685 2.466 0.718 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.404 3.210 1.432 1.00 0.23 C ATOM 0 H VAL A 41 -7.786 4.645 3.137 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.968 1.925 3.354 1.00 0.23 H new ATOM 0 HB VAL A 41 -7.229 1.262 1.718 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -8.289 2.260 -0.276 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -9.498 1.773 0.935 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -9.060 3.489 0.754 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -6.033 2.991 0.431 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.729 4.249 1.480 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.607 3.045 2.158 1.00 0.23 H new ATOM 615 N SER A 42 -6.362 1.169 4.071 1.00 0.29 N ATOM 616 CA SER A 42 -5.324 0.795 5.021 1.00 0.34 C ATOM 617 C SER A 42 -4.124 0.199 4.296 1.00 0.30 C ATOM 618 O SER A 42 -4.120 -0.983 3.951 1.00 0.36 O ATOM 619 CB SER A 42 -5.874 -0.212 6.026 1.00 0.43 C ATOM 620 OG SER A 42 -5.078 -0.220 7.202 1.00 0.93 O ATOM 0 H SER A 42 -6.502 0.500 3.314 1.00 0.29 H new ATOM 0 HA SER A 42 -5.002 1.691 5.551 1.00 0.34 H new ATOM 0 HB2 SER A 42 -6.904 0.041 6.278 1.00 0.43 H new ATOM 0 HB3 SER A 42 -5.889 -1.207 5.582 1.00 0.43 H new ATOM 0 HG SER A 42 -5.443 -0.869 7.839 1.00 0.93 H new ATOM 626 N VAL A 43 -3.104 1.022 4.074 1.00 0.33 N ATOM 627 CA VAL A 43 -1.894 0.575 3.396 1.00 0.34 C ATOM 628 C VAL A 43 -0.889 0.056 4.416 1.00 0.35 C ATOM 629 O VAL A 43 -0.859 0.514 5.558 1.00 0.55 O ATOM 630 CB VAL A 43 -1.287 1.726 2.593 1.00 0.49 C ATOM 631 CG1 VAL A 43 0.058 1.328 1.987 1.00 0.54 C ATOM 632 CG2 VAL A 43 -2.248 2.180 1.500 1.00 1.25 C ATOM 0 H VAL A 43 -3.092 2.003 4.354 1.00 0.33 H new ATOM 0 HA VAL A 43 -2.149 -0.233 2.710 1.00 0.34 H new ATOM 0 HB VAL A 43 -1.116 2.557 3.277 1.00 0.49 H new ATOM 0 HG11 VAL A 43 0.465 2.167 1.422 1.00 0.54 H new ATOM 0 HG12 VAL A 43 0.750 1.057 2.784 1.00 0.54 H new ATOM 0 HG13 VAL A 43 -0.081 0.476 1.322 1.00 0.54 H new ATOM 0 HG21 VAL A 43 -1.800 3.000 0.939 1.00 1.25 H new ATOM 0 HG22 VAL A 43 -2.452 1.348 0.826 1.00 1.25 H new ATOM 0 HG23 VAL A 43 -3.180 2.518 1.953 1.00 1.25 H new ATOM 642 N ARG A 44 -0.073 -0.906 4.003 1.00 0.31 N ATOM 643 CA ARG A 44 0.926 -1.487 4.891 1.00 0.42 C ATOM 644 C ARG A 44 2.228 -1.756 4.147 1.00 0.40 C ATOM 645 O ARG A 44 2.222 -2.260 3.023 1.00 0.41 O ATOM 646 CB ARG A 44 0.398 -2.784 5.494 1.00 0.52 C ATOM 647 CG ARG A 44 -0.927 -2.567 6.220 1.00 0.78 C ATOM 648 CD ARG A 44 -1.622 -3.891 6.526 1.00 1.05 C ATOM 649 NE ARG A 44 -1.071 -4.483 7.741 1.00 1.31 N ATOM 650 CZ ARG A 44 -1.819 -5.206 8.567 1.00 1.74 C ATOM 651 NH1 ARG A 44 -2.668 -4.607 9.391 1.00 2.27 N ATOM 652 NH2 ARG A 44 -1.722 -6.529 8.569 1.00 2.28 N ATOM 0 H ARG A 44 -0.083 -1.299 3.062 1.00 0.31 H new ATOM 0 HA ARG A 44 1.127 -0.772 5.689 1.00 0.42 H new ATOM 0 HB2 ARG A 44 0.265 -3.525 4.706 1.00 0.52 H new ATOM 0 HB3 ARG A 44 1.133 -3.188 6.190 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -0.749 -2.025 7.149 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -1.580 -1.945 5.608 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -2.693 -3.728 6.646 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -1.496 -4.578 5.689 1.00 1.05 H new ATOM 0 HE ARG A 44 -0.086 -4.338 7.962 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -2.747 -3.590 9.391 1.00 2.27 H new ATOM 0 HH12 ARG A 44 -3.242 -5.163 10.025 1.00 2.27 H new ATOM 0 HH21 ARG A 44 -1.072 -6.994 7.935 1.00 2.28 H new ATOM 0 HH22 ARG A 44 -2.298 -7.082 9.204 1.00 2.28 H new ATOM 666 N ILE A 45 3.342 -1.420 4.788 1.00 0.46 N ATOM 667 CA ILE A 45 4.661 -1.626 4.204 1.00 0.47 C ATOM 668 C ILE A 45 5.365 -2.782 4.919 1.00 0.53 C ATOM 669 O ILE A 45 5.944 -2.599 5.990 1.00 0.64 O ATOM 670 CB ILE A 45 5.475 -0.328 4.309 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.960 0.703 3.304 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.970 -0.568 4.099 1.00 0.60 C ATOM 673 CD1 ILE A 45 5.331 0.330 1.868 1.00 0.56 C ATOM 0 H ILE A 45 3.357 -1.001 5.718 1.00 0.46 H new ATOM 0 HA ILE A 45 4.566 -1.887 3.150 1.00 0.47 H new ATOM 0 HB ILE A 45 5.345 0.056 5.321 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.876 0.785 3.390 1.00 0.59 H new ATOM 0 HG13 ILE A 45 5.374 1.683 3.544 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.506 0.378 4.182 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.337 -1.261 4.856 1.00 0.60 H new ATOM 0 HG23 ILE A 45 7.135 -0.992 3.109 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.947 1.087 1.185 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.416 0.274 1.775 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.895 -0.638 1.619 1.00 0.56 H new ATOM 685 N PRO A 46 5.320 -3.992 4.334 1.00 0.48 N ATOM 686 CA PRO A 46 5.953 -5.178 4.928 1.00 0.58 C ATOM 687 C PRO A 46 7.474 -5.155 4.776 1.00 0.61 C ATOM 688 O PRO A 46 7.994 -5.254 3.665 1.00 0.56 O ATOM 689 CB PRO A 46 5.338 -6.340 4.153 1.00 0.57 C ATOM 690 CG PRO A 46 4.923 -5.765 2.840 1.00 0.47 C ATOM 691 CD PRO A 46 4.647 -4.300 3.060 1.00 0.41 C ATOM 0 HA PRO A 46 5.782 -5.242 6.003 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.058 -7.147 4.018 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.485 -6.760 4.686 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.708 -5.901 2.096 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.035 -6.271 2.462 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.042 -3.694 2.245 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.577 -4.101 3.117 1.00 0.41 H new ATOM 699 N PRO A 47 8.211 -5.028 5.895 1.00 0.74 N ATOM 700 CA PRO A 47 9.678 -4.997 5.868 1.00 0.81 C ATOM 701 C PRO A 47 10.274 -6.381 5.626 1.00 0.87 C ATOM 702 O PRO A 47 9.565 -7.317 5.259 1.00 1.53 O ATOM 703 CB PRO A 47 10.053 -4.466 7.248 1.00 0.98 C ATOM 704 CG PRO A 47 8.903 -4.816 8.133 1.00 1.03 C ATOM 705 CD PRO A 47 7.677 -4.905 7.262 1.00 0.85 C ATOM 0 HA PRO A 47 10.064 -4.381 5.056 1.00 0.81 H new ATOM 0 HB2 PRO A 47 10.977 -4.920 7.606 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.216 -3.389 7.223 1.00 0.98 H new ATOM 0 HG2 PRO A 47 9.083 -5.764 8.640 1.00 1.03 H new ATOM 0 HG3 PRO A 47 8.770 -4.060 8.907 1.00 1.03 H new ATOM 0 HD2 PRO A 47 7.062 -5.765 7.528 1.00 0.85 H new ATOM 0 HD3 PRO A 47 7.050 -4.020 7.366 1.00 0.85 H new ATOM 713 N ASP A 48 11.581 -6.503 5.837 1.00 1.32 N ATOM 714 CA ASP A 48 12.273 -7.771 5.644 1.00 1.46 C ATOM 715 C ASP A 48 12.138 -8.243 4.201 1.00 1.48 C ATOM 716 O ASP A 48 11.438 -9.215 3.919 1.00 2.18 O ATOM 717 CB ASP A 48 11.704 -8.826 6.589 1.00 2.16 C ATOM 718 CG ASP A 48 10.567 -8.239 7.416 1.00 2.56 C ATOM 719 OD1 ASP A 48 10.272 -7.036 7.257 1.00 3.01 O ATOM 720 OD2 ASP A 48 9.973 -8.984 8.223 1.00 3.03 O ATOM 0 H ASP A 48 12.182 -5.738 6.142 1.00 1.32 H new ATOM 0 HA ASP A 48 13.330 -7.623 5.864 1.00 1.46 H new ATOM 0 HB2 ASP A 48 11.342 -9.680 6.016 1.00 2.16 H new ATOM 0 HB3 ASP A 48 12.490 -9.194 7.249 1.00 2.16 H new ATOM 725 N SER A 49 12.812 -7.547 3.292 1.00 1.59 N ATOM 726 CA SER A 49 12.769 -7.891 1.876 1.00 2.11 C ATOM 727 C SER A 49 13.705 -6.991 1.081 1.00 1.90 C ATOM 728 O SER A 49 13.834 -5.802 1.372 1.00 2.33 O ATOM 729 CB SER A 49 11.343 -7.756 1.348 1.00 3.03 C ATOM 730 OG SER A 49 10.822 -9.025 0.986 1.00 3.81 O ATOM 0 H SER A 49 13.396 -6.740 3.511 1.00 1.59 H new ATOM 0 HA SER A 49 13.096 -8.924 1.759 1.00 2.11 H new ATOM 0 HB2 SER A 49 10.709 -7.300 2.109 1.00 3.03 H new ATOM 0 HB3 SER A 49 11.331 -7.092 0.484 1.00 3.03 H new ATOM 0 HG SER A 49 10.790 -9.099 0.009 1.00 3.81 H new ATOM 736 N GLU A 50 14.360 -7.564 0.077 1.00 1.92 N ATOM 737 CA GLU A 50 15.288 -6.812 -0.760 1.00 2.27 C ATOM 738 C GLU A 50 15.140 -7.218 -2.220 1.00 2.09 C ATOM 739 O GLU A 50 14.778 -6.401 -3.068 1.00 2.74 O ATOM 740 CB GLU A 50 16.721 -7.054 -0.296 1.00 3.06 C ATOM 741 CG GLU A 50 17.036 -6.280 0.981 1.00 3.83 C ATOM 742 CD GLU A 50 16.099 -5.087 1.121 1.00 4.43 C ATOM 743 OE1 GLU A 50 16.293 -4.089 0.394 1.00 4.97 O ATOM 744 OE2 GLU A 50 15.175 -5.153 1.958 1.00 4.75 O ATOM 0 H GLU A 50 14.265 -8.547 -0.177 1.00 1.92 H new ATOM 0 HA GLU A 50 15.056 -5.751 -0.669 1.00 2.27 H new ATOM 0 HB2 GLU A 50 16.873 -8.119 -0.123 1.00 3.06 H new ATOM 0 HB3 GLU A 50 17.414 -6.756 -1.083 1.00 3.06 H new ATOM 0 HG2 GLU A 50 16.933 -6.935 1.846 1.00 3.83 H new ATOM 0 HG3 GLU A 50 18.071 -5.938 0.961 1.00 3.83 H new ATOM 751 N LYS A 51 15.420 -8.484 -2.508 1.00 1.76 N ATOM 752 CA LYS A 51 15.316 -8.998 -3.869 1.00 1.77 C ATOM 753 C LYS A 51 13.908 -8.792 -4.409 1.00 1.55 C ATOM 754 O LYS A 51 13.716 -8.145 -5.438 1.00 2.20 O ATOM 755 CB LYS A 51 15.669 -10.482 -3.895 1.00 2.14 C ATOM 756 CG LYS A 51 17.144 -10.713 -3.576 1.00 2.60 C ATOM 757 CD LYS A 51 18.020 -10.531 -4.813 1.00 3.36 C ATOM 758 CE LYS A 51 19.505 -10.590 -4.464 1.00 4.12 C ATOM 759 NZ LYS A 51 20.013 -11.989 -4.496 1.00 4.81 N ATOM 0 H LYS A 51 15.720 -9.173 -1.818 1.00 1.76 H new ATOM 0 HA LYS A 51 16.017 -8.452 -4.501 1.00 1.77 H new ATOM 0 HB2 LYS A 51 15.052 -11.016 -3.173 1.00 2.14 H new ATOM 0 HB3 LYS A 51 15.439 -10.894 -4.878 1.00 2.14 H new ATOM 0 HG2 LYS A 51 17.462 -10.019 -2.798 1.00 2.60 H new ATOM 0 HG3 LYS A 51 17.278 -11.719 -3.179 1.00 2.60 H new ATOM 0 HD2 LYS A 51 17.786 -11.306 -5.542 1.00 3.36 H new ATOM 0 HD3 LYS A 51 17.794 -9.573 -5.282 1.00 3.36 H new ATOM 0 HE2 LYS A 51 20.071 -9.979 -5.168 1.00 4.12 H new ATOM 0 HE3 LYS A 51 19.665 -10.165 -3.473 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 21.025 -11.997 -4.255 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 19.488 -12.565 -3.807 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 19.881 -12.384 -5.449 1.00 4.81 H new ATOM 773 N SER A 52 12.924 -9.347 -3.708 1.00 1.19 N ATOM 774 CA SER A 52 11.532 -9.226 -4.117 1.00 1.04 C ATOM 775 C SER A 52 10.710 -8.545 -3.029 1.00 0.92 C ATOM 776 O SER A 52 10.675 -9.002 -1.887 1.00 1.19 O ATOM 777 CB SER A 52 10.954 -10.605 -4.416 1.00 1.25 C ATOM 778 OG SER A 52 9.689 -10.491 -5.047 1.00 2.03 O ATOM 0 H SER A 52 13.067 -9.885 -2.853 1.00 1.19 H new ATOM 0 HA SER A 52 11.489 -8.615 -5.019 1.00 1.04 H new ATOM 0 HB2 SER A 52 11.638 -11.160 -5.058 1.00 1.25 H new ATOM 0 HB3 SER A 52 10.855 -11.172 -3.490 1.00 1.25 H new ATOM 0 HG SER A 52 9.334 -11.385 -5.233 1.00 2.03 H new ATOM 784 N ASN A 53 10.052 -7.449 -3.392 1.00 0.68 N ATOM 785 CA ASN A 53 9.229 -6.701 -2.450 1.00 0.61 C ATOM 786 C ASN A 53 7.756 -6.826 -2.818 1.00 0.59 C ATOM 787 O ASN A 53 7.418 -7.192 -3.943 1.00 0.99 O ATOM 788 CB ASN A 53 9.643 -5.233 -2.449 1.00 0.60 C ATOM 789 CG ASN A 53 10.446 -4.914 -1.199 1.00 0.89 C ATOM 790 OD1 ASN A 53 9.833 -5.131 -0.048 1.00 1.68 O flip ATOM 791 ND2 ASN A 53 11.597 -4.484 -1.274 1.00 1.28 N flip ATOM 0 H ASN A 53 10.073 -7.059 -4.334 1.00 0.68 H new ATOM 0 HA ASN A 53 9.376 -7.114 -1.452 1.00 0.61 H new ATOM 0 HB2 ASN A 53 10.237 -5.015 -3.337 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.758 -4.598 -2.493 1.00 0.60 H new ATOM 0 HD21 ASN A 53 12.027 -4.333 -2.187 1.00 1.28 H new ATOM 0 HD22 ASN A 53 12.121 -4.279 -0.423 1.00 1.28 H new ATOM 798 N LEU A 54 6.883 -6.520 -1.864 1.00 0.55 N ATOM 799 CA LEU A 54 5.444 -6.601 -2.087 1.00 0.51 C ATOM 800 C LEU A 54 4.685 -5.890 -0.972 1.00 0.44 C ATOM 801 O LEU A 54 4.705 -6.326 0.178 1.00 0.57 O ATOM 802 CB LEU A 54 5.010 -8.064 -2.154 1.00 0.65 C ATOM 803 CG LEU A 54 4.773 -8.518 -3.592 1.00 0.82 C ATOM 804 CD1 LEU A 54 5.195 -9.972 -3.776 1.00 1.49 C ATOM 805 CD2 LEU A 54 3.311 -8.325 -3.985 1.00 1.49 C ATOM 0 H LEU A 54 7.147 -6.213 -0.928 1.00 0.55 H new ATOM 0 HA LEU A 54 5.214 -6.110 -3.033 1.00 0.51 H new ATOM 0 HB2 LEU A 54 5.774 -8.692 -1.696 1.00 0.65 H new ATOM 0 HB3 LEU A 54 4.097 -8.199 -1.575 1.00 0.65 H new ATOM 0 HG LEU A 54 5.386 -7.901 -4.249 1.00 0.82 H new ATOM 0 HD11 LEU A 54 5.017 -10.275 -4.808 1.00 1.49 H new ATOM 0 HD12 LEU A 54 6.255 -10.075 -3.545 1.00 1.49 H new ATOM 0 HD13 LEU A 54 4.614 -10.607 -3.107 1.00 1.49 H new ATOM 0 HD21 LEU A 54 3.164 -8.655 -5.013 1.00 1.49 H new ATOM 0 HD22 LEU A 54 2.675 -8.912 -3.322 1.00 1.49 H new ATOM 0 HD23 LEU A 54 3.048 -7.271 -3.901 1.00 1.49 H new ATOM 817 N ILE A 55 4.010 -4.798 -1.320 1.00 0.31 N ATOM 818 CA ILE A 55 3.238 -4.033 -0.346 1.00 0.26 C ATOM 819 C ILE A 55 1.843 -4.628 -0.195 1.00 0.27 C ATOM 820 O ILE A 55 1.314 -5.233 -1.126 1.00 0.34 O ATOM 821 CB ILE A 55 3.142 -2.575 -0.783 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.527 -2.030 -1.133 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.487 -1.726 0.303 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.486 -0.540 -1.461 1.00 0.35 C ATOM 0 H ILE A 55 3.982 -4.423 -2.268 1.00 0.31 H new ATOM 0 HA ILE A 55 3.745 -4.080 0.618 1.00 0.26 H new ATOM 0 HB ILE A 55 2.517 -2.525 -1.674 1.00 0.27 H new ATOM 0 HG12 ILE A 55 5.206 -2.199 -0.297 1.00 0.31 H new ATOM 0 HG13 ILE A 55 4.928 -2.578 -1.985 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.429 -0.690 -0.031 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.483 -2.100 0.501 1.00 0.31 H new ATOM 0 HG23 ILE A 55 3.081 -1.781 1.215 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.490 -0.193 -1.704 1.00 0.35 H new ATOM 0 HD12 ILE A 55 3.828 -0.373 -2.314 1.00 0.35 H new ATOM 0 HD13 ILE A 55 4.110 0.012 -0.600 1.00 0.35 H new ATOM 836 N ARG A 56 1.254 -4.463 0.986 1.00 0.29 N ATOM 837 CA ARG A 56 -0.076 -4.997 1.255 1.00 0.32 C ATOM 838 C ARG A 56 -1.087 -3.874 1.461 1.00 0.29 C ATOM 839 O ARG A 56 -0.954 -3.065 2.379 1.00 0.42 O ATOM 840 CB ARG A 56 -0.038 -5.889 2.493 1.00 0.42 C ATOM 841 CG ARG A 56 0.488 -7.283 2.165 1.00 0.55 C ATOM 842 CD ARG A 56 1.750 -7.609 2.957 1.00 0.84 C ATOM 843 NE ARG A 56 1.449 -8.552 4.027 1.00 1.44 N ATOM 844 CZ ARG A 56 2.164 -8.590 5.148 1.00 1.77 C ATOM 845 NH1 ARG A 56 2.066 -7.607 6.033 1.00 2.19 N ATOM 846 NH2 ARG A 56 2.976 -9.612 5.385 1.00 2.33 N ATOM 0 H ARG A 56 1.676 -3.965 1.770 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.387 -5.585 0.391 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.594 -5.430 3.253 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.039 -5.968 2.916 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.281 -8.023 2.385 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.700 -7.350 1.098 1.00 0.55 H new ATOM 0 HD2 ARG A 56 2.505 -8.031 2.293 1.00 0.84 H new ATOM 0 HD3 ARG A 56 2.170 -6.695 3.377 1.00 0.84 H new ATOM 0 HE ARG A 56 0.669 -9.200 3.913 1.00 1.44 H new ATOM 0 HH11 ARG A 56 1.442 -6.820 5.854 1.00 2.19 H new ATOM 0 HH12 ARG A 56 2.615 -7.638 6.892 1.00 2.19 H new ATOM 0 HH21 ARG A 56 3.053 -10.370 4.707 1.00 2.33 H new ATOM 0 HH22 ARG A 56 3.524 -9.640 6.245 1.00 2.33 H new ATOM 860 N ILE A 57 -2.101 -3.836 0.601 1.00 0.24 N ATOM 861 CA ILE A 57 -3.145 -2.819 0.685 1.00 0.24 C ATOM 862 C ILE A 57 -4.485 -3.471 1.004 1.00 0.26 C ATOM 863 O ILE A 57 -4.744 -4.603 0.596 1.00 0.40 O ATOM 864 CB ILE A 57 -3.252 -2.049 -0.632 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.877 -1.825 -1.252 1.00 0.28 C ATOM 866 CG2 ILE A 57 -3.966 -0.718 -0.422 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.371 -3.076 -1.960 1.00 1.32 C ATOM 0 H ILE A 57 -2.222 -4.500 -0.164 1.00 0.24 H new ATOM 0 HA ILE A 57 -2.882 -2.122 1.481 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.840 -2.652 -1.324 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.927 -1.000 -1.962 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.170 -1.535 -0.475 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -4.031 -0.186 -1.371 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -4.970 -0.900 -0.038 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.408 -0.115 0.294 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.389 -2.879 -2.390 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.296 -3.894 -1.244 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -2.066 -3.351 -2.754 1.00 1.32 H new ATOM 879 N GLU A 58 -5.336 -2.756 1.734 1.00 0.23 N ATOM 880 CA GLU A 58 -6.648 -3.279 2.102 1.00 0.25 C ATOM 881 C GLU A 58 -7.554 -2.160 2.589 1.00 0.24 C ATOM 882 O GLU A 58 -7.140 -1.297 3.363 1.00 0.26 O ATOM 883 CB GLU A 58 -6.499 -4.344 3.186 1.00 0.32 C ATOM 884 CG GLU A 58 -7.854 -4.868 3.662 1.00 0.37 C ATOM 885 CD GLU A 58 -7.873 -4.983 5.180 1.00 0.82 C ATOM 886 OE1 GLU A 58 -7.150 -4.212 5.845 1.00 1.56 O ATOM 887 OE2 GLU A 58 -8.611 -5.844 5.702 1.00 1.47 O ATOM 0 H GLU A 58 -5.142 -1.817 2.081 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.102 -3.729 1.219 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -5.904 -5.173 2.801 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -5.954 -3.926 4.032 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.647 -4.197 3.331 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.053 -5.842 3.214 1.00 0.37 H new ATOM 894 N GLY A 59 -8.795 -2.187 2.125 1.00 0.25 N ATOM 895 CA GLY A 59 -9.784 -1.188 2.493 1.00 0.27 C ATOM 896 C GLY A 59 -11.173 -1.797 2.438 1.00 0.39 C ATOM 897 O GLY A 59 -11.354 -2.967 2.772 1.00 0.59 O ATOM 0 H GLY A 59 -9.143 -2.901 1.485 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.580 -0.813 3.496 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.723 -0.336 1.816 1.00 0.27 H new ATOM 901 N ASP A 60 -12.158 -1.016 2.017 1.00 0.53 N ATOM 902 CA ASP A 60 -13.513 -1.521 1.934 1.00 0.70 C ATOM 903 C ASP A 60 -14.176 -1.175 0.605 1.00 0.59 C ATOM 904 O ASP A 60 -14.627 -2.067 -0.113 1.00 1.04 O ATOM 905 CB ASP A 60 -14.342 -0.982 3.087 1.00 1.22 C ATOM 906 CG ASP A 60 -15.116 -2.108 3.760 1.00 1.93 C ATOM 907 OD1 ASP A 60 -14.476 -2.974 4.393 1.00 2.66 O ATOM 908 OD2 ASP A 60 -16.360 -2.122 3.654 1.00 2.31 O ATOM 0 H ASP A 60 -12.043 -0.043 1.732 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.460 -2.608 1.998 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -13.692 -0.495 3.814 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -15.035 -0.224 2.721 1.00 1.22 H new ATOM 913 N PRO A 61 -14.264 0.119 0.250 1.00 0.72 N ATOM 914 CA PRO A 61 -14.890 0.542 -0.993 1.00 1.14 C ATOM 915 C PRO A 61 -13.882 0.657 -2.126 1.00 0.88 C ATOM 916 O PRO A 61 -12.752 0.180 -2.014 1.00 1.22 O ATOM 917 CB PRO A 61 -15.480 1.900 -0.624 1.00 1.82 C ATOM 918 CG PRO A 61 -14.654 2.409 0.526 1.00 1.82 C ATOM 919 CD PRO A 61 -13.778 1.280 1.007 1.00 1.17 C ATOM 0 HA PRO A 61 -15.632 -0.166 -1.362 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -15.438 2.587 -1.469 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.528 1.807 -0.341 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -14.045 3.257 0.212 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -15.298 2.761 1.332 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -12.725 1.477 0.807 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -13.875 1.127 2.082 1.00 1.17 H new ATOM 927 N GLN A 62 -14.289 1.301 -3.213 1.00 0.64 N ATOM 928 CA GLN A 62 -13.410 1.486 -4.359 1.00 0.47 C ATOM 929 C GLN A 62 -12.087 2.104 -3.917 1.00 0.41 C ATOM 930 O GLN A 62 -11.066 1.961 -4.591 1.00 0.47 O ATOM 931 CB GLN A 62 -14.084 2.381 -5.395 1.00 0.69 C ATOM 932 CG GLN A 62 -14.930 1.568 -6.373 1.00 0.85 C ATOM 933 CD GLN A 62 -16.072 2.416 -6.917 1.00 1.34 C ATOM 934 OE1 GLN A 62 -17.131 2.519 -6.298 1.00 2.14 O ATOM 935 NE2 GLN A 62 -15.858 3.024 -8.078 1.00 1.73 N ATOM 0 H GLN A 62 -15.220 1.703 -3.324 1.00 0.64 H new ATOM 0 HA GLN A 62 -13.209 0.513 -4.807 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -14.714 3.114 -4.890 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -13.325 2.938 -5.945 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -14.308 1.214 -7.195 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -15.330 0.686 -5.872 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -14.964 2.910 -8.556 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -16.587 3.605 -8.492 1.00 1.73 H new ATOM 944 N GLY A 63 -12.113 2.799 -2.784 1.00 0.37 N ATOM 945 CA GLY A 63 -10.926 3.448 -2.246 1.00 0.34 C ATOM 946 C GLY A 63 -9.731 2.501 -2.197 1.00 0.27 C ATOM 947 O GLY A 63 -8.599 2.918 -2.440 1.00 0.29 O ATOM 0 H GLY A 63 -12.952 2.927 -2.218 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.677 4.315 -2.859 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -11.138 3.817 -1.243 1.00 0.34 H new ATOM 951 N VAL A 64 -9.973 1.233 -1.866 1.00 0.24 N ATOM 952 CA VAL A 64 -8.883 0.265 -1.778 1.00 0.21 C ATOM 953 C VAL A 64 -8.337 -0.082 -3.162 1.00 0.24 C ATOM 954 O VAL A 64 -7.123 -0.169 -3.348 1.00 0.28 O ATOM 955 CB VAL A 64 -9.317 -1.003 -1.028 1.00 0.24 C ATOM 956 CG1 VAL A 64 -10.146 -1.943 -1.900 1.00 0.30 C ATOM 957 CG2 VAL A 64 -8.081 -1.728 -0.509 1.00 0.26 C ATOM 0 H VAL A 64 -10.898 0.857 -1.658 1.00 0.24 H new ATOM 0 HA VAL A 64 -8.080 0.731 -1.207 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.953 -0.696 -0.198 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.427 -2.823 -1.321 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -11.046 -1.428 -2.237 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.558 -2.250 -2.765 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.385 -2.629 0.024 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.440 -2.001 -1.348 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.533 -1.073 0.168 1.00 0.26 H new ATOM 967 N GLN A 65 -9.226 -0.278 -4.130 1.00 0.25 N ATOM 968 CA GLN A 65 -8.800 -0.611 -5.485 1.00 0.30 C ATOM 969 C GLN A 65 -8.183 0.609 -6.154 1.00 0.30 C ATOM 970 O GLN A 65 -7.309 0.484 -7.013 1.00 0.34 O ATOM 971 CB GLN A 65 -9.980 -1.130 -6.307 1.00 0.37 C ATOM 972 CG GLN A 65 -10.990 -0.029 -6.621 1.00 0.42 C ATOM 973 CD GLN A 65 -11.918 -0.472 -7.745 1.00 0.78 C ATOM 974 OE1 GLN A 65 -12.703 -1.406 -7.585 1.00 1.56 O ATOM 975 NE2 GLN A 65 -11.827 0.201 -8.886 1.00 0.82 N ATOM 0 H GLN A 65 -10.236 -0.213 -4.004 1.00 0.25 H new ATOM 0 HA GLN A 65 -8.049 -1.399 -5.430 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.611 -1.559 -7.239 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -10.477 -1.932 -5.761 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.572 0.205 -5.730 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.467 0.883 -6.909 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -11.161 0.969 -8.973 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -12.423 -0.050 -9.675 1.00 0.82 H new ATOM 984 N GLN A 66 -8.635 1.792 -5.747 1.00 0.29 N ATOM 985 CA GLN A 66 -8.119 3.038 -6.299 1.00 0.31 C ATOM 986 C GLN A 66 -6.695 3.271 -5.817 1.00 0.29 C ATOM 987 O GLN A 66 -5.769 3.388 -6.619 1.00 0.36 O ATOM 988 CB GLN A 66 -9.006 4.205 -5.883 1.00 0.35 C ATOM 989 CG GLN A 66 -8.728 5.442 -6.732 1.00 0.79 C ATOM 990 CD GLN A 66 -9.735 5.543 -7.869 1.00 1.10 C ATOM 991 OE1 GLN A 66 -9.418 5.248 -9.021 1.00 2.03 O ATOM 992 NE2 GLN A 66 -10.953 5.961 -7.545 1.00 1.31 N ATOM 0 H GLN A 66 -9.357 1.912 -5.037 1.00 0.29 H new ATOM 0 HA GLN A 66 -8.119 2.966 -7.387 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -10.054 3.921 -5.982 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.836 4.437 -4.832 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -8.780 6.336 -6.111 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -7.717 5.394 -7.136 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -11.171 6.195 -6.576 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -11.670 6.048 -8.265 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.524 3.325 -4.499 1.00 0.26 N ATOM 1002 CA ALA A 67 -5.209 3.530 -3.909 1.00 0.27 C ATOM 1003 C ALA A 67 -4.258 2.436 -4.375 1.00 0.26 C ATOM 1004 O ALA A 67 -3.072 2.679 -4.599 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.309 3.520 -2.387 1.00 0.29 C ATOM 0 H ALA A 67 -7.280 3.229 -3.821 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.824 4.498 -4.229 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.320 3.674 -1.956 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.975 4.319 -2.061 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.704 2.560 -2.055 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.795 1.230 -4.527 1.00 0.25 N ATOM 1012 CA LYS A 68 -4.009 0.089 -4.979 1.00 0.28 C ATOM 1013 C LYS A 68 -3.354 0.402 -6.318 1.00 0.31 C ATOM 1014 O LYS A 68 -2.152 0.661 -6.387 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.910 -1.137 -5.111 1.00 0.32 C ATOM 1016 CG LYS A 68 -4.154 -2.339 -5.670 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.984 -3.092 -6.707 1.00 0.43 C ATOM 1018 CE LYS A 68 -4.135 -4.085 -7.494 1.00 0.57 C ATOM 1019 NZ LYS A 68 -4.970 -4.897 -8.422 1.00 0.88 N ATOM 0 H LYS A 68 -5.775 1.018 -4.343 1.00 0.25 H new ATOM 0 HA LYS A 68 -3.228 -0.118 -4.247 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -5.324 -1.390 -4.135 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.751 -0.901 -5.763 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -3.221 -2.004 -6.123 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.889 -3.014 -4.856 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -5.796 -3.622 -6.209 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -5.442 -2.380 -7.394 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -3.375 -3.547 -8.061 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -3.609 -4.744 -6.803 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -4.364 -5.563 -8.942 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -5.679 -5.428 -7.877 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -5.452 -4.268 -9.096 1.00 0.88 H new ATOM 1033 N ARG A 69 -4.154 0.381 -7.379 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.660 0.666 -8.724 1.00 0.43 C ATOM 1035 C ARG A 69 -2.824 1.939 -8.728 1.00 0.42 C ATOM 1036 O ARG A 69 -1.822 2.034 -9.437 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.832 0.815 -9.689 1.00 0.50 C ATOM 1038 CG ARG A 69 -5.458 -0.534 -10.030 1.00 1.02 C ATOM 1039 CD ARG A 69 -6.967 -0.420 -10.223 1.00 1.36 C ATOM 1040 NE ARG A 69 -7.480 -1.594 -10.919 1.00 1.81 N ATOM 1041 CZ ARG A 69 -8.320 -2.442 -10.333 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -8.181 -2.730 -9.046 1.00 2.98 N ATOM 1043 NH2 ARG A 69 -9.296 -3.002 -11.032 1.00 2.76 N ATOM 0 H ARG A 69 -5.151 0.169 -7.334 1.00 0.36 H new ATOM 0 HA ARG A 69 -3.032 -0.165 -9.045 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -5.587 1.465 -9.247 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -4.491 1.299 -10.604 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -5.003 -0.928 -10.939 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -5.245 -1.246 -9.233 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -7.457 -0.320 -9.255 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -7.200 0.479 -10.793 1.00 1.36 H new ATOM 0 HE ARG A 69 -7.187 -1.769 -11.880 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -7.430 -2.301 -8.506 1.00 2.98 H new ATOM 0 HH12 ARG A 69 -8.825 -3.380 -8.596 1.00 2.98 H new ATOM 0 HH21 ARG A 69 -9.405 -2.783 -12.022 1.00 2.76 H new ATOM 0 HH22 ARG A 69 -9.939 -3.652 -10.580 1.00 2.76 H new ATOM 1057 N GLU A 70 -3.237 2.916 -7.926 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.518 4.181 -7.834 1.00 0.43 C ATOM 1059 C GLU A 70 -1.069 3.929 -7.445 1.00 0.44 C ATOM 1060 O GLU A 70 -0.152 4.540 -7.994 1.00 0.56 O ATOM 1061 CB GLU A 70 -3.184 5.093 -6.807 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.768 6.550 -6.998 1.00 0.59 C ATOM 1063 CD GLU A 70 -3.102 7.014 -8.410 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -3.940 6.363 -9.069 1.00 1.50 O ATOM 1065 OE2 GLU A 70 -2.525 8.029 -8.855 1.00 1.38 O ATOM 0 H GLU A 70 -4.064 2.856 -7.332 1.00 0.40 H new ATOM 0 HA GLU A 70 -2.544 4.671 -8.807 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -4.267 5.009 -6.893 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -2.917 4.766 -5.802 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -3.280 7.180 -6.270 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.699 6.657 -6.816 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.869 3.018 -6.497 1.00 0.40 N ATOM 1073 CA LEU A 71 0.470 2.674 -6.035 1.00 0.47 C ATOM 1074 C LEU A 71 1.260 2.025 -7.163 1.00 0.52 C ATOM 1075 O LEU A 71 2.429 2.345 -7.380 1.00 0.60 O ATOM 1076 CB LEU A 71 0.384 1.720 -4.846 1.00 0.51 C ATOM 1077 CG LEU A 71 -0.126 2.428 -3.594 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.622 1.415 -2.565 1.00 1.08 C ATOM 1079 CD2 LEU A 71 0.960 3.317 -2.996 1.00 1.15 C ATOM 0 H LEU A 71 -1.619 2.505 -6.034 1.00 0.40 H new ATOM 0 HA LEU A 71 0.980 3.585 -5.723 1.00 0.47 H new ATOM 0 HB2 LEU A 71 -0.279 0.891 -5.091 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.368 1.294 -4.649 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.965 3.062 -3.880 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -0.981 1.941 -1.680 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.435 0.829 -2.994 1.00 1.08 H new ATOM 0 HD13 LEU A 71 0.196 0.751 -2.285 1.00 1.08 H new ATOM 0 HD21 LEU A 71 0.575 3.812 -2.105 1.00 1.15 H new ATOM 0 HD22 LEU A 71 1.823 2.707 -2.728 1.00 1.15 H new ATOM 0 HD23 LEU A 71 1.259 4.068 -3.727 1.00 1.15 H new ATOM 1091 N LEU A 72 0.613 1.112 -7.881 1.00 0.52 N ATOM 1092 CA LEU A 72 1.250 0.417 -8.992 1.00 0.63 C ATOM 1093 C LEU A 72 1.849 1.417 -9.973 1.00 0.67 C ATOM 1094 O LEU A 72 2.804 1.107 -10.685 1.00 0.83 O ATOM 1095 CB LEU A 72 0.232 -0.466 -9.708 1.00 0.66 C ATOM 1096 CG LEU A 72 -0.036 -1.756 -8.938 1.00 0.88 C ATOM 1097 CD1 LEU A 72 -1.522 -2.097 -8.957 1.00 1.99 C ATOM 1098 CD2 LEU A 72 0.789 -2.907 -9.507 1.00 1.04 C ATOM 0 H LEU A 72 -0.354 0.836 -7.712 1.00 0.52 H new ATOM 0 HA LEU A 72 2.051 -0.208 -8.597 1.00 0.63 H new ATOM 0 HB2 LEU A 72 -0.701 0.083 -9.834 1.00 0.66 H new ATOM 0 HB3 LEU A 72 0.598 -0.707 -10.706 1.00 0.66 H new ATOM 0 HG LEU A 72 0.265 -1.602 -7.902 1.00 0.88 H new ATOM 0 HD11 LEU A 72 -1.691 -3.020 -8.402 1.00 1.99 H new ATOM 0 HD12 LEU A 72 -2.087 -1.288 -8.495 1.00 1.99 H new ATOM 0 HD13 LEU A 72 -1.852 -2.227 -9.988 1.00 1.99 H new ATOM 0 HD21 LEU A 72 0.582 -3.817 -8.943 1.00 1.04 H new ATOM 0 HD22 LEU A 72 0.525 -3.061 -10.553 1.00 1.04 H new ATOM 0 HD23 LEU A 72 1.849 -2.667 -9.432 1.00 1.04 H new ATOM 1110 N GLU A 73 1.281 2.619 -10.006 1.00 0.64 N ATOM 1111 CA GLU A 73 1.758 3.668 -10.899 1.00 0.74 C ATOM 1112 C GLU A 73 2.740 4.579 -10.174 1.00 0.71 C ATOM 1113 O GLU A 73 3.906 4.682 -10.557 1.00 0.88 O ATOM 1114 CB GLU A 73 0.581 4.487 -11.420 1.00 0.82 C ATOM 1115 CG GLU A 73 -0.410 3.618 -12.189 1.00 1.00 C ATOM 1116 CD GLU A 73 -1.519 4.478 -12.782 1.00 1.41 C ATOM 1117 OE1 GLU A 73 -1.287 5.688 -12.988 1.00 2.05 O ATOM 1118 OE2 GLU A 73 -2.617 3.940 -13.040 1.00 2.01 O ATOM 0 H GLU A 73 0.489 2.890 -9.423 1.00 0.64 H new ATOM 0 HA GLU A 73 2.269 3.200 -11.740 1.00 0.74 H new ATOM 0 HB2 GLU A 73 0.073 4.967 -10.584 1.00 0.82 H new ATOM 0 HB3 GLU A 73 0.949 5.282 -12.069 1.00 0.82 H new ATOM 0 HG2 GLU A 73 0.107 3.081 -12.984 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -0.838 2.868 -11.524 1.00 1.00 H new ATOM 1125 N LEU A 74 2.262 5.240 -9.125 1.00 0.64 N ATOM 1126 CA LEU A 74 3.097 6.146 -8.344 1.00 0.71 C ATOM 1127 C LEU A 74 4.361 5.438 -7.877 1.00 0.82 C ATOM 1128 O LEU A 74 5.472 5.838 -8.225 1.00 1.13 O ATOM 1129 CB LEU A 74 2.320 6.663 -7.137 1.00 0.85 C ATOM 1130 CG LEU A 74 1.089 7.461 -7.559 1.00 0.99 C ATOM 1131 CD1 LEU A 74 0.381 8.042 -6.340 1.00 1.19 C ATOM 1132 CD2 LEU A 74 1.471 8.566 -8.539 1.00 1.32 C ATOM 0 H LEU A 74 1.300 5.165 -8.796 1.00 0.64 H new ATOM 0 HA LEU A 74 3.380 6.987 -8.977 1.00 0.71 H new ATOM 0 HB2 LEU A 74 2.013 5.823 -6.514 1.00 0.85 H new ATOM 0 HB3 LEU A 74 2.970 7.291 -6.527 1.00 0.85 H new ATOM 0 HG LEU A 74 0.400 6.783 -8.063 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -0.494 8.607 -6.662 1.00 1.19 H new ATOM 0 HD12 LEU A 74 0.067 7.232 -5.681 1.00 1.19 H new ATOM 0 HD13 LEU A 74 1.062 8.703 -5.804 1.00 1.19 H new ATOM 0 HD21 LEU A 74 0.579 9.122 -8.826 1.00 1.32 H new ATOM 0 HD22 LEU A 74 2.183 9.242 -8.066 1.00 1.32 H new ATOM 0 HD23 LEU A 74 1.925 8.125 -9.426 1.00 1.32 H new ATOM 1144 N ALA A 75 4.186 4.387 -7.084 1.00 0.78 N ATOM 1145 CA ALA A 75 5.315 3.625 -6.566 1.00 0.99 C ATOM 1146 C ALA A 75 5.935 2.771 -7.664 1.00 1.70 C ATOM 1147 O ALA A 75 7.104 2.936 -8.007 1.00 2.16 O ATOM 1148 CB ALA A 75 4.863 2.738 -5.410 1.00 1.14 C ATOM 0 H ALA A 75 3.273 4.044 -6.786 1.00 0.78 H new ATOM 0 HA ALA A 75 6.067 4.327 -6.205 1.00 0.99 H new ATOM 0 HB1 ALA A 75 5.714 2.173 -5.030 1.00 1.14 H new ATOM 0 HB2 ALA A 75 4.455 3.359 -4.613 1.00 1.14 H new ATOM 0 HB3 ALA A 75 4.096 2.047 -5.760 1.00 1.14 H new