USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 751 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 35 THR OG1 : rot 160:sc= 0 USER MOD Set 1.2: A 58 THR OG1 : rot 11:sc= -5.34! USER MOD Single : A 4 ASN :FLIP amide:sc= -4.5! C(o=-5.2!,f=-4.5!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0587 USER MOD Single : A 10 GLN : amide:sc= -0.163 K(o=-0.16,f=-0.87) USER MOD Single : A 13 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.03) USER MOD Single : A 21 LYS NZ :NH3+ 155:sc= -0.474 (180deg=-1.14) USER MOD Single : A 22 THR OG1 : rot 8:sc= 0.955 USER MOD Single : A 24 THR OG1 : rot -65:sc= 0.924 USER MOD Single : A 29 SER OG : rot 180:sc=-0.00912 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0189 USER MOD Single : A 32 HIS : no HE2:sc= -7.9! C(o=-7.9!,f=-9.7!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot -6:sc= 0.271 USER MOD Single : A 52 THR OG1 : rot 180:sc=-0.00586 USER MOD Single : A 56 THR OG1 : rot -170:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc=-0.00481 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.664 USER MOD Single : A 65 THR OG1 : rot 80:sc= -5.81! USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -0.0146 X(o=-0.015,f=-0.091) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -110:sc= -0.23! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot -120:sc= -1.25 USER MOD Single : A 92 GLN : amide:sc=-0.00332 X(o=-0.0033,f=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.824 K(o=-0.82,f=-1.9) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N ASN A 4 -9.149 8.263 7.409 1.00 0.00 N ATOM 50 CA ASN A 4 -8.568 7.665 6.219 1.00 0.00 C ATOM 51 C ASN A 4 -8.743 6.146 6.279 1.00 0.00 C ATOM 52 O ASN A 4 -8.943 5.583 7.354 1.00 0.00 O ATOM 53 CB ASN A 4 -7.070 7.965 6.128 1.00 0.00 C ATOM 54 CG ASN A 4 -6.351 6.912 5.283 1.00 0.00 C ATOM 55 OD1 ASN A 4 -5.588 6.081 5.988 1.00 0.00 O flip ATOM 56 ND2 ASN A 4 -6.480 6.857 4.071 1.00 0.00 N flip ATOM 0 HA ASN A 4 -9.074 8.084 5.349 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.919 8.952 5.691 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.639 7.990 7.129 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.082 7.526 3.591 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.986 6.142 3.537 1.00 0.00 H new ATOM 63 N ASP A 5 -8.662 5.527 5.110 1.00 0.00 N ATOM 64 CA ASP A 5 -8.809 4.085 5.016 1.00 0.00 C ATOM 65 C ASP A 5 -7.434 3.427 5.144 1.00 0.00 C ATOM 66 O ASP A 5 -7.237 2.551 5.985 1.00 0.00 O ATOM 67 CB ASP A 5 -9.404 3.679 3.666 1.00 0.00 C ATOM 68 CG ASP A 5 -10.860 4.097 3.449 1.00 0.00 C ATOM 69 OD1 ASP A 5 -11.594 3.474 2.668 1.00 0.00 O ATOM 70 OD2 ASP A 5 -11.240 5.123 4.132 1.00 0.00 O ATOM 0 H ASP A 5 -8.497 5.998 4.221 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.475 3.761 5.816 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -8.795 4.112 2.873 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.334 2.596 3.566 1.00 0.00 H new ATOM 76 N ILE A 6 -6.519 3.873 4.296 1.00 0.00 N ATOM 77 CA ILE A 6 -5.168 3.339 4.304 1.00 0.00 C ATOM 78 C ILE A 6 -4.230 4.324 3.604 1.00 0.00 C ATOM 79 O ILE A 6 -4.614 4.965 2.627 1.00 0.00 O ATOM 80 CB ILE A 6 -5.144 1.933 3.700 1.00 0.00 C ATOM 81 CG1 ILE A 6 -3.712 1.493 3.391 1.00 0.00 C ATOM 82 CG2 ILE A 6 -6.048 1.851 2.468 1.00 0.00 C ATOM 83 CD1 ILE A 6 -3.587 -0.032 3.425 1.00 0.00 C ATOM 0 H ILE A 6 -6.687 4.598 3.599 1.00 0.00 H new ATOM 0 HA ILE A 6 -4.809 3.228 5.327 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.542 1.237 4.438 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.418 1.864 2.409 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.028 1.934 4.116 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.013 0.842 2.058 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.072 2.092 2.752 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.703 2.561 1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.559 -0.318 3.202 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.858 -0.397 4.415 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.254 -0.468 2.682 1.00 0.00 H new ATOM 95 N THR A 7 -3.018 4.415 4.132 1.00 0.00 N ATOM 96 CA THR A 7 -2.022 5.312 3.571 1.00 0.00 C ATOM 97 C THR A 7 -0.959 4.519 2.810 1.00 0.00 C ATOM 98 O THR A 7 -0.954 3.289 2.842 1.00 0.00 O ATOM 99 CB THR A 7 -1.450 6.157 4.711 1.00 0.00 C ATOM 100 OG1 THR A 7 -1.379 5.253 5.811 1.00 0.00 O ATOM 101 CG2 THR A 7 -2.422 7.240 5.182 1.00 0.00 C ATOM 0 H THR A 7 -2.703 3.882 4.943 1.00 0.00 H new ATOM 0 HA THR A 7 -2.465 5.987 2.839 1.00 0.00 H new ATOM 0 HB THR A 7 -0.519 6.621 4.386 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.017 5.718 6.594 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.967 7.810 5.992 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.652 7.908 4.352 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.341 6.774 5.538 1.00 0.00 H new ATOM 109 N PHE A 8 -0.082 5.255 2.142 1.00 0.00 N ATOM 110 CA PHE A 8 0.984 4.635 1.374 1.00 0.00 C ATOM 111 C PHE A 8 2.175 5.584 1.225 1.00 0.00 C ATOM 112 O PHE A 8 2.005 6.750 0.872 1.00 0.00 O ATOM 113 CB PHE A 8 0.416 4.327 -0.013 1.00 0.00 C ATOM 114 CG PHE A 8 -0.928 3.597 0.013 1.00 0.00 C ATOM 115 CD1 PHE A 8 -0.963 2.237 0.036 1.00 0.00 C ATOM 116 CD2 PHE A 8 -2.088 4.306 0.014 1.00 0.00 C ATOM 117 CE1 PHE A 8 -2.210 1.559 0.061 1.00 0.00 C ATOM 118 CE2 PHE A 8 -3.335 3.628 0.038 1.00 0.00 C ATOM 119 CZ PHE A 8 -3.370 2.269 0.061 1.00 0.00 C ATOM 0 H PHE A 8 -0.088 6.275 2.117 1.00 0.00 H new ATOM 0 HA PHE A 8 1.332 3.734 1.880 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.300 5.261 -0.562 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.136 3.721 -0.563 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.042 1.673 0.035 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.061 5.386 -0.003 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.238 0.480 0.080 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.256 4.192 0.038 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.319 1.753 0.079 1.00 0.00 H new ATOM 129 N PHE A 9 3.355 5.048 1.501 1.00 0.00 N ATOM 130 CA PHE A 9 4.575 5.833 1.402 1.00 0.00 C ATOM 131 C PHE A 9 4.541 6.745 0.175 1.00 0.00 C ATOM 132 O PHE A 9 3.749 6.531 -0.741 1.00 0.00 O ATOM 133 CB PHE A 9 5.732 4.843 1.256 1.00 0.00 C ATOM 134 CG PHE A 9 7.115 5.472 1.438 1.00 0.00 C ATOM 135 CD1 PHE A 9 7.284 6.506 2.306 1.00 0.00 C ATOM 136 CD2 PHE A 9 8.176 4.998 0.731 1.00 0.00 C ATOM 137 CE1 PHE A 9 8.567 7.089 2.475 1.00 0.00 C ATOM 138 CE2 PHE A 9 9.459 5.582 0.900 1.00 0.00 C ATOM 139 CZ PHE A 9 9.628 6.615 1.768 1.00 0.00 C ATOM 0 H PHE A 9 3.493 4.080 1.793 1.00 0.00 H new ATOM 0 HA PHE A 9 4.687 6.462 2.285 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.608 4.044 1.987 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.680 4.382 0.269 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.442 6.883 2.867 1.00 0.00 H new ATOM 0 HD2 PHE A 9 8.042 4.178 0.041 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.701 7.909 3.165 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.301 5.206 0.339 1.00 0.00 H new ATOM 0 HZ PHE A 9 10.604 7.059 1.896 1.00 0.00 H new ATOM 149 N GLN A 10 5.412 7.744 0.196 1.00 0.00 N ATOM 150 CA GLN A 10 5.492 8.691 -0.904 1.00 0.00 C ATOM 151 C GLN A 10 5.820 7.962 -2.208 1.00 0.00 C ATOM 152 O GLN A 10 5.190 8.206 -3.236 1.00 0.00 O ATOM 153 CB GLN A 10 6.521 9.784 -0.612 1.00 0.00 C ATOM 154 CG GLN A 10 6.450 10.897 -1.659 1.00 0.00 C ATOM 155 CD GLN A 10 7.850 11.299 -2.129 1.00 0.00 C ATOM 156 OE1 GLN A 10 8.751 10.484 -2.248 1.00 0.00 O ATOM 157 NE2 GLN A 10 7.983 12.597 -2.387 1.00 0.00 N ATOM 0 H GLN A 10 6.068 7.918 0.957 1.00 0.00 H new ATOM 0 HA GLN A 10 4.521 9.173 -1.015 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.343 10.201 0.379 1.00 0.00 H new ATOM 0 HB3 GLN A 10 7.522 9.353 -0.602 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.859 10.562 -2.511 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.941 11.764 -1.239 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.188 13.225 -2.267 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.880 12.964 -2.705 1.00 0.00 H new ATOM 166 N ARG A 11 6.807 7.081 -2.124 1.00 0.00 N ATOM 167 CA ARG A 11 7.227 6.315 -3.286 1.00 0.00 C ATOM 168 C ARG A 11 6.045 5.532 -3.860 1.00 0.00 C ATOM 169 O ARG A 11 5.909 5.411 -5.077 1.00 0.00 O ATOM 170 CB ARG A 11 8.349 5.340 -2.925 1.00 0.00 C ATOM 171 CG ARG A 11 9.551 6.081 -2.336 1.00 0.00 C ATOM 172 CD ARG A 11 10.816 5.223 -2.414 1.00 0.00 C ATOM 173 NE ARG A 11 11.994 6.081 -2.669 1.00 0.00 N ATOM 174 CZ ARG A 11 12.140 6.862 -3.761 1.00 0.00 C ATOM 175 NH1 ARG A 11 11.180 6.900 -4.709 1.00 0.00 N ATOM 176 NH2 ARG A 11 13.235 7.588 -3.887 1.00 0.00 N ATOM 0 H ARG A 11 7.328 6.881 -1.270 1.00 0.00 H new ATOM 0 HA ARG A 11 7.598 7.018 -4.032 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.982 4.607 -2.207 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.657 4.789 -3.814 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.707 7.015 -2.876 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.348 6.343 -1.298 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.951 4.674 -1.482 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.715 4.484 -3.208 1.00 0.00 H new ATOM 0 HE ARG A 11 12.743 6.083 -1.977 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.337 6.336 -4.604 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.298 7.493 -5.531 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.955 7.554 -3.166 1.00 0.00 H new ATOM 0 HH22 ARG A 11 13.361 8.183 -4.706 1.00 0.00 H new ATOM 189 N PHE A 12 5.220 5.020 -2.958 1.00 0.00 N ATOM 190 CA PHE A 12 4.054 4.252 -3.360 1.00 0.00 C ATOM 191 C PHE A 12 3.073 5.119 -4.151 1.00 0.00 C ATOM 192 O PHE A 12 2.491 4.665 -5.135 1.00 0.00 O ATOM 193 CB PHE A 12 3.372 3.770 -2.079 1.00 0.00 C ATOM 194 CG PHE A 12 3.761 2.349 -1.664 1.00 0.00 C ATOM 195 CD1 PHE A 12 5.029 2.085 -1.250 1.00 0.00 C ATOM 196 CD2 PHE A 12 2.838 1.351 -1.709 1.00 0.00 C ATOM 197 CE1 PHE A 12 5.389 0.766 -0.864 1.00 0.00 C ATOM 198 CE2 PHE A 12 3.198 0.033 -1.323 1.00 0.00 C ATOM 199 CZ PHE A 12 4.466 -0.232 -0.909 1.00 0.00 C ATOM 0 H PHE A 12 5.336 5.122 -1.950 1.00 0.00 H new ATOM 0 HA PHE A 12 4.357 3.421 -3.996 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.619 4.455 -1.268 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.292 3.815 -2.216 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.762 2.877 -1.215 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.831 1.561 -2.038 1.00 0.00 H new ATOM 0 HE1 PHE A 12 6.396 0.556 -0.535 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.465 -0.759 -1.358 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.740 -1.235 -0.616 1.00 0.00 H new ATOM 209 N GLN A 13 2.918 6.352 -3.692 1.00 0.00 N ATOM 210 CA GLN A 13 2.017 7.287 -4.344 1.00 0.00 C ATOM 211 C GLN A 13 2.515 7.608 -5.754 1.00 0.00 C ATOM 212 O GLN A 13 1.772 7.472 -6.725 1.00 0.00 O ATOM 213 CB GLN A 13 1.857 8.563 -3.515 1.00 0.00 C ATOM 214 CG GLN A 13 0.445 8.666 -2.935 1.00 0.00 C ATOM 215 CD GLN A 13 -0.342 9.796 -3.603 1.00 0.00 C ATOM 216 OE1 GLN A 13 -1.410 9.599 -4.159 1.00 0.00 O ATOM 217 NE2 GLN A 13 0.245 10.986 -3.518 1.00 0.00 N ATOM 0 H GLN A 13 3.402 6.726 -2.875 1.00 0.00 H new ATOM 0 HA GLN A 13 1.035 6.820 -4.424 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.588 8.570 -2.706 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.063 9.434 -4.138 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.079 7.721 -3.075 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.501 8.843 -1.861 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.140 11.080 -3.038 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.200 11.805 -3.933 1.00 0.00 H new ATOM 226 N ASP A 14 3.770 8.029 -5.822 1.00 0.00 N ATOM 227 CA ASP A 14 4.376 8.371 -7.098 1.00 0.00 C ATOM 228 C ASP A 14 4.323 7.155 -8.025 1.00 0.00 C ATOM 229 O ASP A 14 3.988 7.281 -9.202 1.00 0.00 O ATOM 230 CB ASP A 14 5.843 8.769 -6.922 1.00 0.00 C ATOM 231 CG ASP A 14 6.611 8.998 -8.224 1.00 0.00 C ATOM 232 OD1 ASP A 14 7.187 8.063 -8.800 1.00 0.00 O ATOM 233 OD2 ASP A 14 6.605 10.215 -8.654 1.00 0.00 O ATOM 0 H ASP A 14 4.383 8.141 -5.015 1.00 0.00 H new ATOM 0 HA ASP A 14 3.823 9.210 -7.520 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.888 9.681 -6.326 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.349 7.990 -6.351 1.00 0.00 H new ATOM 239 N ASP A 15 4.660 6.005 -7.460 1.00 0.00 N ATOM 240 CA ASP A 15 4.655 4.768 -8.221 1.00 0.00 C ATOM 241 C ASP A 15 3.278 4.571 -8.858 1.00 0.00 C ATOM 242 O ASP A 15 3.178 4.233 -10.037 1.00 0.00 O ATOM 243 CB ASP A 15 4.934 3.565 -7.318 1.00 0.00 C ATOM 244 CG ASP A 15 6.323 2.943 -7.479 1.00 0.00 C ATOM 245 OD1 ASP A 15 7.253 3.250 -6.719 1.00 0.00 O ATOM 246 OD2 ASP A 15 6.433 2.098 -8.448 1.00 0.00 O ATOM 0 H ASP A 15 4.938 5.904 -6.484 1.00 0.00 H new ATOM 0 HA ASP A 15 5.433 4.837 -8.981 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.808 3.872 -6.280 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.184 2.799 -7.517 1.00 0.00 H new ATOM 252 N ILE A 16 2.251 4.790 -8.051 1.00 0.00 N ATOM 253 CA ILE A 16 0.884 4.642 -8.521 1.00 0.00 C ATOM 254 C ILE A 16 0.649 5.589 -9.699 1.00 0.00 C ATOM 255 O ILE A 16 0.051 5.202 -10.702 1.00 0.00 O ATOM 256 CB ILE A 16 -0.103 4.836 -7.369 1.00 0.00 C ATOM 257 CG1 ILE A 16 0.051 3.730 -6.322 1.00 0.00 C ATOM 258 CG2 ILE A 16 -1.539 4.938 -7.888 1.00 0.00 C ATOM 259 CD1 ILE A 16 -0.422 4.206 -4.947 1.00 0.00 C ATOM 0 H ILE A 16 2.338 5.069 -7.074 1.00 0.00 H new ATOM 0 HA ILE A 16 0.715 3.629 -8.887 1.00 0.00 H new ATOM 0 HB ILE A 16 0.129 5.780 -6.876 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.524 2.855 -6.625 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.095 3.422 -6.265 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.220 5.076 -7.048 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.622 5.788 -8.565 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.799 4.023 -8.420 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.302 3.401 -4.222 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.171 5.066 -4.636 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.473 4.491 -5.002 1.00 0.00 H new ATOM 271 N LEU A 17 1.131 6.813 -9.538 1.00 0.00 N ATOM 272 CA LEU A 17 0.980 7.819 -10.576 1.00 0.00 C ATOM 273 C LEU A 17 1.638 7.319 -11.864 1.00 0.00 C ATOM 274 O LEU A 17 1.169 7.617 -12.961 1.00 0.00 O ATOM 275 CB LEU A 17 1.516 9.169 -10.096 1.00 0.00 C ATOM 276 CG LEU A 17 2.739 9.708 -10.840 1.00 0.00 C ATOM 277 CD1 LEU A 17 2.326 10.419 -12.130 1.00 0.00 C ATOM 278 CD2 LEU A 17 3.580 10.609 -9.933 1.00 0.00 C ATOM 0 H LEU A 17 1.626 7.131 -8.705 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.075 7.982 -10.798 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.715 9.904 -10.174 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.767 9.083 -9.039 1.00 0.00 H new ATOM 0 HG LEU A 17 3.366 8.863 -11.124 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.214 10.793 -12.640 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.802 9.718 -12.780 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.667 11.253 -11.891 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.443 10.979 -10.487 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.976 11.452 -9.597 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.920 10.039 -9.069 1.00 0.00 H new ATOM 290 N ALA A 18 2.714 6.567 -11.688 1.00 0.00 N ATOM 291 CA ALA A 18 3.441 6.023 -12.822 1.00 0.00 C ATOM 292 C ALA A 18 3.051 4.556 -13.017 1.00 0.00 C ATOM 293 O ALA A 18 3.753 3.808 -13.695 1.00 0.00 O ATOM 294 CB ALA A 18 4.944 6.201 -12.599 1.00 0.00 C ATOM 0 H ALA A 18 3.100 6.321 -10.776 1.00 0.00 H new ATOM 0 HA ALA A 18 3.181 6.558 -13.736 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.489 5.793 -13.450 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.173 7.262 -12.496 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.242 5.676 -11.692 1.00 0.00 H new ATOM 300 N GLY A 19 1.932 4.189 -12.410 1.00 0.00 N ATOM 301 CA GLY A 19 1.440 2.826 -12.508 1.00 0.00 C ATOM 302 C GLY A 19 -0.089 2.798 -12.573 1.00 0.00 C ATOM 303 O GLY A 19 -0.665 2.643 -13.649 1.00 0.00 O ATOM 0 H GLY A 19 1.352 4.812 -11.848 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.854 2.349 -13.396 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.782 2.250 -11.648 1.00 0.00 H new ATOM 307 N ARG A 20 -0.702 2.951 -11.409 1.00 0.00 N ATOM 308 CA ARG A 20 -2.152 2.945 -11.320 1.00 0.00 C ATOM 309 C ARG A 20 -2.669 1.512 -11.173 1.00 0.00 C ATOM 310 O ARG A 20 -3.802 1.216 -11.550 1.00 0.00 O ATOM 311 CB ARG A 20 -2.782 3.582 -12.561 1.00 0.00 C ATOM 312 CG ARG A 20 -4.129 4.225 -12.223 1.00 0.00 C ATOM 313 CD ARG A 20 -3.935 5.541 -11.468 1.00 0.00 C ATOM 314 NE ARG A 20 -4.416 5.402 -10.075 1.00 0.00 N ATOM 315 CZ ARG A 20 -4.705 6.444 -9.267 1.00 0.00 C ATOM 316 NH1 ARG A 20 -4.564 7.712 -9.707 1.00 0.00 N ATOM 317 NH2 ARG A 20 -5.127 6.203 -8.039 1.00 0.00 N ATOM 0 H ARG A 20 -0.221 3.080 -10.519 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.433 3.528 -10.443 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.108 4.335 -12.970 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.920 2.825 -13.333 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.689 4.407 -13.140 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.722 3.539 -11.618 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.881 5.820 -11.471 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.478 6.341 -11.971 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.537 4.460 -9.702 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.237 7.889 -10.657 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.785 8.494 -9.090 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.230 5.241 -7.715 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.350 6.978 -7.415 1.00 0.00 H new ATOM 330 N LYS A 21 -1.814 0.662 -10.625 1.00 0.00 N ATOM 331 CA LYS A 21 -2.171 -0.732 -10.423 1.00 0.00 C ATOM 332 C LYS A 21 -1.181 -1.371 -9.447 1.00 0.00 C ATOM 333 O LYS A 21 -0.073 -1.740 -9.833 1.00 0.00 O ATOM 334 CB LYS A 21 -2.267 -1.460 -11.765 1.00 0.00 C ATOM 335 CG LYS A 21 -3.543 -2.301 -11.843 1.00 0.00 C ATOM 336 CD LYS A 21 -3.979 -2.504 -13.295 1.00 0.00 C ATOM 337 CE LYS A 21 -5.503 -2.468 -13.421 1.00 0.00 C ATOM 338 NZ LYS A 21 -5.931 -1.289 -14.207 1.00 0.00 N ATOM 0 H LYS A 21 -0.875 0.911 -10.315 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.160 -0.810 -9.972 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.255 -0.734 -12.578 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.396 -2.101 -11.898 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.374 -3.269 -11.372 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.341 -1.810 -11.285 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.540 -1.728 -13.922 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.603 -3.459 -13.661 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.856 -3.380 -13.902 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.955 -2.435 -12.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.857 -1.479 -14.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.005 -0.462 -13.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.232 -1.097 -14.953 1.00 0.00 H new ATOM 351 N THR A 22 -1.617 -1.482 -8.200 1.00 0.00 N ATOM 352 CA THR A 22 -0.783 -2.070 -7.166 1.00 0.00 C ATOM 353 C THR A 22 -1.651 -2.659 -6.052 1.00 0.00 C ATOM 354 O THR A 22 -2.795 -2.247 -5.868 1.00 0.00 O ATOM 355 CB THR A 22 0.189 -0.995 -6.674 1.00 0.00 C ATOM 356 OG1 THR A 22 1.226 -0.992 -7.652 1.00 0.00 O ATOM 357 CG2 THR A 22 0.898 -1.396 -5.379 1.00 0.00 C ATOM 0 H THR A 22 -2.537 -1.175 -7.883 1.00 0.00 H new ATOM 0 HA THR A 22 -0.199 -2.904 -7.556 1.00 0.00 H new ATOM 0 HB THR A 22 -0.351 -0.061 -6.518 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.972 -1.572 -8.400 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.576 -0.599 -5.073 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.158 -1.563 -4.596 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.466 -2.312 -5.544 1.00 0.00 H new ATOM 365 N ILE A 23 -1.074 -3.614 -5.338 1.00 0.00 N ATOM 366 CA ILE A 23 -1.780 -4.264 -4.247 1.00 0.00 C ATOM 367 C ILE A 23 -1.269 -3.714 -2.914 1.00 0.00 C ATOM 368 O ILE A 23 -0.165 -3.175 -2.844 1.00 0.00 O ATOM 369 CB ILE A 23 -1.669 -5.785 -4.368 1.00 0.00 C ATOM 370 CG1 ILE A 23 -1.050 -6.185 -5.709 1.00 0.00 C ATOM 371 CG2 ILE A 23 -3.026 -6.454 -4.141 1.00 0.00 C ATOM 372 CD1 ILE A 23 0.477 -6.142 -5.643 1.00 0.00 C ATOM 0 H ILE A 23 -0.125 -3.954 -5.494 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.846 -4.040 -4.296 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.999 -6.141 -3.585 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.378 -7.189 -5.980 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.403 -5.513 -6.491 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.919 -7.535 -4.233 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.390 -6.209 -3.143 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.737 -6.096 -4.885 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.891 -6.431 -6.609 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.802 -5.131 -5.396 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.828 -6.833 -4.877 1.00 0.00 H new ATOM 384 N THR A 24 -2.095 -3.869 -1.890 1.00 0.00 N ATOM 385 CA THR A 24 -1.740 -3.394 -0.564 1.00 0.00 C ATOM 386 C THR A 24 -1.888 -4.520 0.462 1.00 0.00 C ATOM 387 O THR A 24 -2.377 -5.600 0.137 1.00 0.00 O ATOM 388 CB THR A 24 -2.605 -2.171 -0.252 1.00 0.00 C ATOM 389 OG1 THR A 24 -3.902 -2.713 -0.020 1.00 0.00 O ATOM 390 CG2 THR A 24 -2.793 -1.262 -1.468 1.00 0.00 C ATOM 0 H THR A 24 -3.009 -4.317 -1.952 1.00 0.00 H new ATOM 0 HA THR A 24 -0.694 -3.090 -0.519 1.00 0.00 H new ATOM 0 HB THR A 24 -2.151 -1.603 0.560 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.242 -3.114 -0.847 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.414 -0.410 -1.193 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.821 -0.907 -1.811 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.278 -1.821 -2.268 1.00 0.00 H new ATOM 398 N ILE A 25 -1.456 -4.227 1.680 1.00 0.00 N ATOM 399 CA ILE A 25 -1.533 -5.201 2.756 1.00 0.00 C ATOM 400 C ILE A 25 -2.169 -4.547 3.985 1.00 0.00 C ATOM 401 O ILE A 25 -1.916 -3.378 4.271 1.00 0.00 O ATOM 402 CB ILE A 25 -0.157 -5.811 3.026 1.00 0.00 C ATOM 403 CG1 ILE A 25 0.481 -6.321 1.733 1.00 0.00 C ATOM 404 CG2 ILE A 25 -0.242 -6.904 4.094 1.00 0.00 C ATOM 405 CD1 ILE A 25 1.270 -5.212 1.035 1.00 0.00 C ATOM 0 H ILE A 25 -1.052 -3.329 1.946 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.174 -6.035 2.470 1.00 0.00 H new ATOM 0 HB ILE A 25 0.493 -5.028 3.417 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.143 -7.158 1.956 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.294 -6.697 1.065 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.750 -7.321 4.267 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.623 -6.477 5.022 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.913 -7.693 3.755 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.713 -5.602 0.119 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.601 -4.387 0.792 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.060 -4.856 1.697 1.00 0.00 H new ATOM 417 N ARG A 26 -2.982 -5.331 4.678 1.00 0.00 N ATOM 418 CA ARG A 26 -3.656 -4.843 5.869 1.00 0.00 C ATOM 419 C ARG A 26 -3.663 -5.921 6.954 1.00 0.00 C ATOM 420 O ARG A 26 -3.279 -7.062 6.703 1.00 0.00 O ATOM 421 CB ARG A 26 -5.097 -4.432 5.558 1.00 0.00 C ATOM 422 CG ARG A 26 -5.395 -4.567 4.064 1.00 0.00 C ATOM 423 CD ARG A 26 -4.763 -3.420 3.273 1.00 0.00 C ATOM 424 NE ARG A 26 -5.820 -2.562 2.693 1.00 0.00 N ATOM 425 CZ ARG A 26 -6.378 -1.511 3.332 1.00 0.00 C ATOM 426 NH1 ARG A 26 -5.982 -1.179 4.579 1.00 0.00 N ATOM 427 NH2 ARG A 26 -7.315 -0.814 2.719 1.00 0.00 N ATOM 0 H ARG A 26 -3.189 -6.300 4.437 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.110 -3.969 6.224 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.787 -5.054 6.128 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.261 -3.402 5.874 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.013 -5.520 3.698 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.473 -4.573 3.904 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.120 -2.829 3.925 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.131 -3.819 2.480 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.148 -2.778 1.752 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.256 -1.723 5.046 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.408 -0.384 5.055 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.608 -1.072 1.777 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.747 -0.017 3.187 1.00 0.00 H new ATOM 440 N ASP A 27 -4.103 -5.521 8.138 1.00 0.00 N ATOM 441 CA ASP A 27 -4.165 -6.439 9.263 1.00 0.00 C ATOM 442 C ASP A 27 -5.601 -6.941 9.428 1.00 0.00 C ATOM 443 O ASP A 27 -6.538 -6.146 9.480 1.00 0.00 O ATOM 444 CB ASP A 27 -3.754 -5.746 10.563 1.00 0.00 C ATOM 445 CG ASP A 27 -4.050 -6.537 11.839 1.00 0.00 C ATOM 446 OD1 ASP A 27 -3.960 -6.004 12.956 1.00 0.00 O ATOM 447 OD2 ASP A 27 -4.391 -7.767 11.652 1.00 0.00 O ATOM 0 H ASP A 27 -4.420 -4.573 8.343 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.481 -7.264 9.063 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.685 -5.536 10.523 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.265 -4.785 10.622 1.00 0.00 H new ATOM 453 N GLU A 28 -5.729 -8.257 9.506 1.00 0.00 N ATOM 454 CA GLU A 28 -7.035 -8.874 9.664 1.00 0.00 C ATOM 455 C GLU A 28 -7.741 -8.312 10.899 1.00 0.00 C ATOM 456 O GLU A 28 -8.948 -8.077 10.875 1.00 0.00 O ATOM 457 CB GLU A 28 -6.916 -10.397 9.746 1.00 0.00 C ATOM 458 CG GLU A 28 -8.248 -11.031 10.150 1.00 0.00 C ATOM 459 CD GLU A 28 -9.340 -10.713 9.126 1.00 0.00 C ATOM 460 OE1 GLU A 28 -9.335 -11.275 8.021 1.00 0.00 O ATOM 461 OE2 GLU A 28 -10.216 -9.849 9.513 1.00 0.00 O ATOM 0 H GLU A 28 -4.950 -8.914 9.463 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.636 -8.637 8.786 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.599 -10.793 8.781 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.147 -10.667 10.470 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.129 -12.111 10.237 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.547 -10.663 11.132 1.00 0.00 H new ATOM 469 N SER A 29 -6.959 -8.113 11.950 1.00 0.00 N ATOM 470 CA SER A 29 -7.494 -7.583 13.192 1.00 0.00 C ATOM 471 C SER A 29 -8.070 -6.185 12.959 1.00 0.00 C ATOM 472 O SER A 29 -8.792 -5.658 13.805 1.00 0.00 O ATOM 473 CB SER A 29 -6.420 -7.540 14.281 1.00 0.00 C ATOM 474 OG SER A 29 -6.463 -6.326 15.026 1.00 0.00 O ATOM 0 H SER A 29 -5.958 -8.310 11.967 1.00 0.00 H new ATOM 0 HA SER A 29 -8.290 -8.245 13.531 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.555 -8.385 14.957 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.436 -7.651 13.825 1.00 0.00 H new ATOM 0 HG SER A 29 -5.763 -6.338 15.712 1.00 0.00 H new ATOM 480 N GLU A 30 -7.730 -5.623 11.808 1.00 0.00 N ATOM 481 CA GLU A 30 -8.204 -4.296 11.454 1.00 0.00 C ATOM 482 C GLU A 30 -9.021 -4.352 10.161 1.00 0.00 C ATOM 483 O GLU A 30 -9.372 -3.316 9.599 1.00 0.00 O ATOM 484 CB GLU A 30 -7.038 -3.314 11.324 1.00 0.00 C ATOM 485 CG GLU A 30 -6.804 -2.563 12.636 1.00 0.00 C ATOM 486 CD GLU A 30 -5.345 -2.120 12.762 1.00 0.00 C ATOM 487 OE1 GLU A 30 -4.514 -2.869 13.297 1.00 0.00 O ATOM 488 OE2 GLU A 30 -5.086 -0.953 12.279 1.00 0.00 O ATOM 0 H GLU A 30 -7.132 -6.063 11.109 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.851 -3.937 12.254 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.133 -3.853 11.043 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.245 -2.602 10.525 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.457 -1.692 12.682 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.067 -3.204 13.478 1.00 0.00 H new ATOM 496 N SER A 31 -9.300 -5.573 9.728 1.00 0.00 N ATOM 497 CA SER A 31 -10.068 -5.778 8.512 1.00 0.00 C ATOM 498 C SER A 31 -11.208 -4.760 8.436 1.00 0.00 C ATOM 499 O SER A 31 -12.152 -4.819 9.223 1.00 0.00 O ATOM 500 CB SER A 31 -10.623 -7.202 8.444 1.00 0.00 C ATOM 501 OG SER A 31 -11.984 -7.225 8.023 1.00 0.00 O ATOM 0 H SER A 31 -9.008 -6.430 10.198 1.00 0.00 H new ATOM 0 HA SER A 31 -9.404 -5.635 7.660 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.020 -7.793 7.755 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.539 -7.671 9.424 1.00 0.00 H new ATOM 0 HG SER A 31 -12.301 -8.152 7.991 1.00 0.00 H new ATOM 507 N HIS A 32 -11.083 -3.850 7.481 1.00 0.00 N ATOM 508 CA HIS A 32 -12.091 -2.820 7.292 1.00 0.00 C ATOM 509 C HIS A 32 -12.840 -3.069 5.982 1.00 0.00 C ATOM 510 O HIS A 32 -13.309 -4.179 5.732 1.00 0.00 O ATOM 511 CB HIS A 32 -11.464 -1.426 7.361 1.00 0.00 C ATOM 512 CG HIS A 32 -10.403 -1.178 6.315 1.00 0.00 C ATOM 513 ND1 HIS A 32 -9.623 -0.035 6.295 1.00 0.00 N ATOM 514 CD2 HIS A 32 -10.001 -1.937 5.256 1.00 0.00 C ATOM 515 CE1 HIS A 32 -8.793 -0.113 5.266 1.00 0.00 C ATOM 516 NE2 HIS A 32 -9.030 -1.292 4.622 1.00 0.00 N ATOM 0 H HIS A 32 -10.299 -3.804 6.830 1.00 0.00 H new ATOM 0 HA HIS A 32 -12.820 -2.867 8.101 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -12.250 -0.679 7.251 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -11.026 -1.284 8.349 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -9.678 0.737 6.960 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.405 -2.900 4.980 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.058 0.627 4.986 1.00 0.00 H new ATOM 524 N PHE A 33 -12.928 -2.019 5.179 1.00 0.00 N ATOM 525 CA PHE A 33 -13.612 -2.110 3.900 1.00 0.00 C ATOM 526 C PHE A 33 -13.246 -3.406 3.174 1.00 0.00 C ATOM 527 O PHE A 33 -12.320 -4.108 3.577 1.00 0.00 O ATOM 528 CB PHE A 33 -13.147 -0.919 3.059 1.00 0.00 C ATOM 529 CG PHE A 33 -13.227 0.425 3.785 1.00 0.00 C ATOM 530 CD1 PHE A 33 -14.424 1.056 3.918 1.00 0.00 C ATOM 531 CD2 PHE A 33 -12.100 0.989 4.298 1.00 0.00 C ATOM 532 CE1 PHE A 33 -14.498 2.304 4.592 1.00 0.00 C ATOM 533 CE2 PHE A 33 -12.174 2.236 4.972 1.00 0.00 C ATOM 534 CZ PHE A 33 -13.372 2.867 5.105 1.00 0.00 C ATOM 0 H PHE A 33 -12.537 -1.101 5.389 1.00 0.00 H new ATOM 0 HA PHE A 33 -14.691 -2.103 4.053 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.117 -1.090 2.744 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -13.752 -0.868 2.154 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -15.319 0.608 3.511 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -11.149 0.488 4.192 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -15.449 2.806 4.697 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -11.280 2.684 5.379 1.00 0.00 H new ATOM 0 HZ PHE A 33 -13.428 3.816 5.618 1.00 0.00 H new ATOM 544 N LYS A 34 -13.993 -3.684 2.115 1.00 0.00 N ATOM 545 CA LYS A 34 -13.759 -4.884 1.329 1.00 0.00 C ATOM 546 C LYS A 34 -13.623 -4.503 -0.146 1.00 0.00 C ATOM 547 O LYS A 34 -13.430 -3.333 -0.474 1.00 0.00 O ATOM 548 CB LYS A 34 -14.850 -5.922 1.598 1.00 0.00 C ATOM 549 CG LYS A 34 -16.189 -5.476 1.006 1.00 0.00 C ATOM 550 CD LYS A 34 -16.945 -6.663 0.405 1.00 0.00 C ATOM 551 CE LYS A 34 -18.255 -6.914 1.155 1.00 0.00 C ATOM 552 NZ LYS A 34 -19.333 -6.053 0.620 1.00 0.00 N ATOM 0 H LYS A 34 -14.760 -3.099 1.783 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.822 -5.357 1.625 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -14.559 -6.880 1.168 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.956 -6.074 2.672 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -16.796 -5.009 1.781 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -16.018 -4.722 0.237 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -17.155 -6.470 -0.647 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.321 -7.556 0.447 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -18.539 -7.962 1.062 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -18.116 -6.715 2.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -20.214 -6.237 1.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -19.067 -5.054 0.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -19.476 -6.263 -0.389 1.00 0.00 H new ATOM 565 N THR A 35 -13.728 -5.512 -0.998 1.00 0.00 N ATOM 566 CA THR A 35 -13.619 -5.298 -2.431 1.00 0.00 C ATOM 567 C THR A 35 -14.880 -4.617 -2.965 1.00 0.00 C ATOM 568 O THR A 35 -15.962 -4.776 -2.403 1.00 0.00 O ATOM 569 CB THR A 35 -13.331 -6.648 -3.090 1.00 0.00 C ATOM 570 OG1 THR A 35 -12.263 -7.191 -2.319 1.00 0.00 O ATOM 571 CG2 THR A 35 -12.739 -6.500 -4.493 1.00 0.00 C ATOM 0 H THR A 35 -13.888 -6.481 -0.723 1.00 0.00 H new ATOM 0 HA THR A 35 -12.797 -4.623 -2.669 1.00 0.00 H new ATOM 0 HB THR A 35 -14.252 -7.229 -3.143 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.223 -8.161 -2.453 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.553 -7.487 -4.916 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.440 -5.959 -5.129 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.801 -5.948 -4.436 1.00 0.00 H new ATOM 579 N GLY A 36 -14.699 -3.872 -4.046 1.00 0.00 N ATOM 580 CA GLY A 36 -15.809 -3.166 -4.663 1.00 0.00 C ATOM 581 C GLY A 36 -16.064 -1.829 -3.965 1.00 0.00 C ATOM 582 O GLY A 36 -16.777 -0.975 -4.491 1.00 0.00 O ATOM 0 H GLY A 36 -13.800 -3.742 -4.510 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.594 -2.995 -5.718 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.707 -3.782 -4.617 1.00 0.00 H new ATOM 586 N ASP A 37 -15.469 -1.688 -2.790 1.00 0.00 N ATOM 587 CA ASP A 37 -15.623 -0.469 -2.014 1.00 0.00 C ATOM 588 C ASP A 37 -14.563 0.545 -2.450 1.00 0.00 C ATOM 589 O ASP A 37 -13.863 0.331 -3.438 1.00 0.00 O ATOM 590 CB ASP A 37 -15.432 -0.739 -0.520 1.00 0.00 C ATOM 591 CG ASP A 37 -16.722 -0.759 0.303 1.00 0.00 C ATOM 592 OD1 ASP A 37 -16.973 -1.696 1.075 1.00 0.00 O ATOM 593 OD2 ASP A 37 -17.497 0.257 0.125 1.00 0.00 O ATOM 0 H ASP A 37 -14.879 -2.398 -2.356 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.629 -0.085 -2.185 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -14.928 -1.698 -0.401 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.769 0.023 -0.110 1.00 0.00 H new ATOM 599 N VAL A 38 -14.479 1.628 -1.691 1.00 0.00 N ATOM 600 CA VAL A 38 -13.517 2.676 -1.986 1.00 0.00 C ATOM 601 C VAL A 38 -12.402 2.648 -0.939 1.00 0.00 C ATOM 602 O VAL A 38 -12.626 2.244 0.201 1.00 0.00 O ATOM 603 CB VAL A 38 -14.226 4.029 -2.069 1.00 0.00 C ATOM 604 CG1 VAL A 38 -13.461 5.098 -1.285 1.00 0.00 C ATOM 605 CG2 VAL A 38 -14.426 4.455 -3.525 1.00 0.00 C ATOM 0 H VAL A 38 -15.062 1.802 -0.872 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.054 2.507 -2.958 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.210 3.920 -1.614 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.986 6.050 -1.360 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -13.393 4.803 -0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.458 5.204 -1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -14.932 5.420 -3.556 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -13.457 4.538 -4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.032 3.711 -4.042 1.00 0.00 H new ATOM 615 N LEU A 39 -11.225 3.084 -1.363 1.00 0.00 N ATOM 616 CA LEU A 39 -10.074 3.114 -0.476 1.00 0.00 C ATOM 617 C LEU A 39 -9.443 4.508 -0.513 1.00 0.00 C ATOM 618 O LEU A 39 -8.892 4.916 -1.534 1.00 0.00 O ATOM 619 CB LEU A 39 -9.099 1.988 -0.824 1.00 0.00 C ATOM 620 CG LEU A 39 -9.434 0.610 -0.251 1.00 0.00 C ATOM 621 CD1 LEU A 39 -8.684 -0.493 -1.002 1.00 0.00 C ATOM 622 CD2 LEU A 39 -9.166 0.562 1.255 1.00 0.00 C ATOM 0 H LEU A 39 -11.043 3.419 -2.309 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.382 2.930 0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.044 1.905 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.106 2.273 -0.475 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.500 0.430 -0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.940 -1.463 -0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.967 -0.474 -2.054 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.610 -0.329 -0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.412 -0.429 1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.113 0.772 1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.781 1.308 1.758 1.00 0.00 H new ATOM 634 N ARG A 40 -9.546 5.199 0.612 1.00 0.00 N ATOM 635 CA ARG A 40 -8.992 6.538 0.721 1.00 0.00 C ATOM 636 C ARG A 40 -7.464 6.480 0.757 1.00 0.00 C ATOM 637 O ARG A 40 -6.879 6.040 1.746 1.00 0.00 O ATOM 638 CB ARG A 40 -9.498 7.243 1.981 1.00 0.00 C ATOM 639 CG ARG A 40 -9.880 8.694 1.682 1.00 0.00 C ATOM 640 CD ARG A 40 -11.166 9.085 2.413 1.00 0.00 C ATOM 641 NE ARG A 40 -12.334 8.458 1.754 1.00 0.00 N ATOM 642 CZ ARG A 40 -13.611 8.855 1.939 1.00 0.00 C ATOM 643 NH1 ARG A 40 -13.896 9.883 2.766 1.00 0.00 N ATOM 644 NH2 ARG A 40 -14.577 8.223 1.299 1.00 0.00 N ATOM 0 H ARG A 40 -10.005 4.857 1.456 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.317 7.102 -0.153 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.362 6.710 2.378 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.727 7.218 2.751 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.070 9.357 1.985 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.014 8.825 0.608 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.113 8.768 3.455 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.278 10.169 2.415 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.163 7.677 1.120 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.144 10.366 3.257 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.864 10.177 2.900 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.353 7.447 0.676 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -15.547 8.510 1.428 1.00 0.00 H new ATOM 657 N VAL A 41 -6.860 6.929 -0.333 1.00 0.00 N ATOM 658 CA VAL A 41 -5.411 6.933 -0.439 1.00 0.00 C ATOM 659 C VAL A 41 -4.857 8.178 0.256 1.00 0.00 C ATOM 660 O VAL A 41 -5.429 9.261 0.146 1.00 0.00 O ATOM 661 CB VAL A 41 -4.993 6.832 -1.907 1.00 0.00 C ATOM 662 CG1 VAL A 41 -3.502 7.133 -2.075 1.00 0.00 C ATOM 663 CG2 VAL A 41 -5.343 5.458 -2.483 1.00 0.00 C ATOM 0 H VAL A 41 -7.348 7.293 -1.151 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.989 6.064 0.065 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.551 7.583 -2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.231 7.054 -3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.292 8.142 -1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.919 6.417 -1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.035 5.412 -3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.824 4.684 -1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.419 5.298 -2.414 1.00 0.00 H new ATOM 673 N GLY A 42 -3.749 7.983 0.956 1.00 0.00 N ATOM 674 CA GLY A 42 -3.111 9.077 1.668 1.00 0.00 C ATOM 675 C GLY A 42 -1.625 8.792 1.892 1.00 0.00 C ATOM 676 O GLY A 42 -1.228 7.641 2.066 1.00 0.00 O ATOM 0 H GLY A 42 -3.277 7.083 1.045 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.226 10.001 1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.605 9.228 2.628 1.00 0.00 H new ATOM 680 N ARG A 43 -0.842 9.861 1.880 1.00 0.00 N ATOM 681 CA ARG A 43 0.592 9.741 2.080 1.00 0.00 C ATOM 682 C ARG A 43 0.902 9.462 3.552 1.00 0.00 C ATOM 683 O ARG A 43 0.442 10.185 4.435 1.00 0.00 O ATOM 684 CB ARG A 43 1.317 11.017 1.647 1.00 0.00 C ATOM 685 CG ARG A 43 2.330 10.722 0.539 1.00 0.00 C ATOM 686 CD ARG A 43 3.366 11.843 0.430 1.00 0.00 C ATOM 687 NE ARG A 43 3.022 12.744 -0.692 1.00 0.00 N ATOM 688 CZ ARG A 43 3.612 13.938 -0.912 1.00 0.00 C ATOM 689 NH1 ARG A 43 4.583 14.385 -0.088 1.00 0.00 N ATOM 690 NH2 ARG A 43 3.225 14.662 -1.946 1.00 0.00 N ATOM 0 H ARG A 43 -1.174 10.814 1.735 1.00 0.00 H new ATOM 0 HA ARG A 43 0.943 8.911 1.468 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.591 11.751 1.296 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.827 11.458 2.503 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.832 9.776 0.743 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.811 10.608 -0.413 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.403 12.407 1.362 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.358 11.419 0.275 1.00 0.00 H new ATOM 0 HE ARG A 43 2.293 12.444 -1.340 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.876 13.819 0.708 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.023 15.288 -0.262 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.491 14.317 -2.564 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.660 15.567 -2.127 1.00 0.00 H new ATOM 813 N CYS A 51 -6.383 11.158 -1.939 1.00 0.00 N ATOM 814 CA CYS A 51 -7.431 10.947 -2.924 1.00 0.00 C ATOM 815 C CYS A 51 -8.192 9.674 -2.550 1.00 0.00 C ATOM 816 O CYS A 51 -7.945 9.084 -1.500 1.00 0.00 O ATOM 817 CB CYS A 51 -6.867 10.879 -4.344 1.00 0.00 C ATOM 818 SG CYS A 51 -5.117 10.344 -4.298 1.00 0.00 S ATOM 0 HA CYS A 51 -8.117 11.794 -2.917 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -7.453 10.183 -4.944 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -6.945 11.855 -4.822 1.00 0.00 H new ATOM 0 HG CYS A 51 -4.721 10.262 -3.063 1.00 0.00 H new ATOM 824 N THR A 52 -9.102 9.287 -3.432 1.00 0.00 N ATOM 825 CA THR A 52 -9.901 8.094 -3.208 1.00 0.00 C ATOM 826 C THR A 52 -9.789 7.145 -4.403 1.00 0.00 C ATOM 827 O THR A 52 -9.736 7.588 -5.549 1.00 0.00 O ATOM 828 CB THR A 52 -11.337 8.534 -2.914 1.00 0.00 C ATOM 829 OG1 THR A 52 -11.185 9.685 -2.087 1.00 0.00 O ATOM 830 CG2 THR A 52 -12.086 7.536 -2.030 1.00 0.00 C ATOM 0 H THR A 52 -9.304 9.778 -4.303 1.00 0.00 H new ATOM 0 HA THR A 52 -9.537 7.530 -2.349 1.00 0.00 H new ATOM 0 HB THR A 52 -11.876 8.663 -3.852 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.069 10.037 -1.850 1.00 0.00 H new ATOM 0 HG21 THR A 52 -13.099 7.896 -1.852 1.00 0.00 H new ATOM 0 HG22 THR A 52 -12.128 6.568 -2.529 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.566 7.432 -1.078 1.00 0.00 H new ATOM 838 N ILE A 53 -9.757 5.857 -4.094 1.00 0.00 N ATOM 839 CA ILE A 53 -9.652 4.842 -5.128 1.00 0.00 C ATOM 840 C ILE A 53 -10.657 3.725 -4.844 1.00 0.00 C ATOM 841 O ILE A 53 -11.287 3.706 -3.787 1.00 0.00 O ATOM 842 CB ILE A 53 -8.208 4.352 -5.254 1.00 0.00 C ATOM 843 CG1 ILE A 53 -7.858 3.380 -4.126 1.00 0.00 C ATOM 844 CG2 ILE A 53 -7.233 5.530 -5.318 1.00 0.00 C ATOM 845 CD1 ILE A 53 -8.555 2.032 -4.328 1.00 0.00 C ATOM 0 H ILE A 53 -9.802 5.493 -3.142 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.908 5.262 -6.101 1.00 0.00 H new ATOM 0 HB ILE A 53 -8.114 3.804 -6.192 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.779 3.233 -4.089 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.155 3.807 -3.168 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.214 5.154 -5.407 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.468 6.150 -6.183 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.322 6.126 -4.409 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.289 1.359 -3.513 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -9.635 2.179 -4.340 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.238 1.597 -5.275 1.00 0.00 H new ATOM 857 N GLU A 54 -10.777 2.821 -5.805 1.00 0.00 N ATOM 858 CA GLU A 54 -11.695 1.703 -5.671 1.00 0.00 C ATOM 859 C GLU A 54 -10.924 0.382 -5.651 1.00 0.00 C ATOM 860 O GLU A 54 -9.923 0.232 -6.350 1.00 0.00 O ATOM 861 CB GLU A 54 -12.737 1.712 -6.792 1.00 0.00 C ATOM 862 CG GLU A 54 -14.140 1.957 -6.233 1.00 0.00 C ATOM 863 CD GLU A 54 -15.212 1.462 -7.207 1.00 0.00 C ATOM 864 OE1 GLU A 54 -15.443 0.248 -7.309 1.00 0.00 O ATOM 865 OE2 GLU A 54 -15.816 2.388 -7.871 1.00 0.00 O ATOM 0 H GLU A 54 -10.253 2.840 -6.680 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.226 1.806 -4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.490 2.487 -7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.714 0.760 -7.323 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -14.249 1.446 -5.276 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -14.279 3.021 -6.043 1.00 0.00 H new ATOM 873 N VAL A 55 -11.419 -0.543 -4.841 1.00 0.00 N ATOM 874 CA VAL A 55 -10.789 -1.847 -4.720 1.00 0.00 C ATOM 875 C VAL A 55 -11.046 -2.653 -5.995 1.00 0.00 C ATOM 876 O VAL A 55 -12.104 -2.529 -6.609 1.00 0.00 O ATOM 877 CB VAL A 55 -11.284 -2.552 -3.456 1.00 0.00 C ATOM 878 CG1 VAL A 55 -10.165 -3.373 -2.812 1.00 0.00 C ATOM 879 CG2 VAL A 55 -11.870 -1.548 -2.462 1.00 0.00 C ATOM 0 H VAL A 55 -12.249 -0.415 -4.262 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.709 -1.742 -4.615 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.079 -3.239 -3.745 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.544 -3.864 -1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.814 -4.126 -3.517 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.339 -2.715 -2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -12.214 -2.075 -1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.104 -0.825 -2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.709 -1.027 -2.923 1.00 0.00 H new ATOM 889 N THR A 56 -10.059 -3.461 -6.355 1.00 0.00 N ATOM 890 CA THR A 56 -10.166 -4.288 -7.545 1.00 0.00 C ATOM 891 C THR A 56 -10.196 -5.769 -7.165 1.00 0.00 C ATOM 892 O THR A 56 -11.033 -6.524 -7.658 1.00 0.00 O ATOM 893 CB THR A 56 -9.009 -3.923 -8.479 1.00 0.00 C ATOM 894 OG1 THR A 56 -9.205 -4.759 -9.616 1.00 0.00 O ATOM 895 CG2 THR A 56 -7.651 -4.358 -7.925 1.00 0.00 C ATOM 0 H THR A 56 -9.182 -3.560 -5.844 1.00 0.00 H new ATOM 0 HA THR A 56 -11.101 -4.102 -8.073 1.00 0.00 H new ATOM 0 HB THR A 56 -9.004 -2.846 -8.648 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.420 -4.706 -10.200 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.865 -4.076 -8.625 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.476 -3.870 -6.966 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.643 -5.439 -7.788 1.00 0.00 H new ATOM 903 N ALA A 57 -9.272 -6.142 -6.292 1.00 0.00 N ATOM 904 CA ALA A 57 -9.182 -7.520 -5.840 1.00 0.00 C ATOM 905 C ALA A 57 -8.598 -7.551 -4.426 1.00 0.00 C ATOM 906 O ALA A 57 -8.106 -6.538 -3.931 1.00 0.00 O ATOM 907 CB ALA A 57 -8.347 -8.330 -6.833 1.00 0.00 C ATOM 0 H ALA A 57 -8.579 -5.514 -5.885 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.171 -7.975 -5.799 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.280 -9.364 -6.494 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.819 -8.300 -7.815 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.346 -7.904 -6.899 1.00 0.00 H new ATOM 913 N THR A 58 -8.671 -8.725 -3.816 1.00 0.00 N ATOM 914 CA THR A 58 -8.156 -8.902 -2.468 1.00 0.00 C ATOM 915 C THR A 58 -7.808 -10.370 -2.219 1.00 0.00 C ATOM 916 O THR A 58 -8.542 -11.265 -2.634 1.00 0.00 O ATOM 917 CB THR A 58 -9.193 -8.348 -1.489 1.00 0.00 C ATOM 918 OG1 THR A 58 -8.925 -6.949 -1.453 1.00 0.00 O ATOM 919 CG2 THR A 58 -8.947 -8.812 -0.052 1.00 0.00 C ATOM 0 H THR A 58 -9.079 -9.563 -4.230 1.00 0.00 H new ATOM 0 HA THR A 58 -7.226 -8.352 -2.324 1.00 0.00 H new ATOM 0 HB THR A 58 -10.190 -8.655 -1.804 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.297 -6.718 -2.169 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.710 -8.391 0.602 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.992 -9.900 -0.008 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.963 -8.476 0.275 1.00 0.00 H new ATOM 927 N SER A 59 -6.687 -10.573 -1.542 1.00 0.00 N ATOM 928 CA SER A 59 -6.232 -11.918 -1.232 1.00 0.00 C ATOM 929 C SER A 59 -5.264 -11.883 -0.047 1.00 0.00 C ATOM 930 O SER A 59 -4.761 -10.821 0.317 1.00 0.00 O ATOM 931 CB SER A 59 -5.563 -12.566 -2.445 1.00 0.00 C ATOM 932 OG SER A 59 -5.317 -11.624 -3.486 1.00 0.00 O ATOM 0 H SER A 59 -6.080 -9.828 -1.199 1.00 0.00 H new ATOM 0 HA SER A 59 -7.101 -12.520 -0.965 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.622 -13.022 -2.139 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.197 -13.367 -2.824 1.00 0.00 H new ATOM 0 HG SER A 59 -4.888 -12.076 -4.242 1.00 0.00 H new ATOM 938 N THR A 60 -5.033 -13.057 0.521 1.00 0.00 N ATOM 939 CA THR A 60 -4.134 -13.174 1.657 1.00 0.00 C ATOM 940 C THR A 60 -2.722 -13.526 1.185 1.00 0.00 C ATOM 941 O THR A 60 -2.516 -14.554 0.541 1.00 0.00 O ATOM 942 CB THR A 60 -4.725 -14.202 2.624 1.00 0.00 C ATOM 943 OG1 THR A 60 -5.336 -15.168 1.773 1.00 0.00 O ATOM 944 CG2 THR A 60 -5.889 -13.636 3.440 1.00 0.00 C ATOM 0 H THR A 60 -5.452 -13.935 0.216 1.00 0.00 H new ATOM 0 HA THR A 60 -4.040 -12.226 2.186 1.00 0.00 H new ATOM 0 HB THR A 60 -3.946 -14.555 3.299 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.743 -15.873 2.318 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.272 -14.406 4.110 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.543 -12.785 4.026 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.683 -13.314 2.766 1.00 0.00 H new ATOM 952 N VAL A 61 -1.784 -12.653 1.524 1.00 0.00 N ATOM 953 CA VAL A 61 -0.397 -12.859 1.143 1.00 0.00 C ATOM 954 C VAL A 61 0.506 -12.026 2.055 1.00 0.00 C ATOM 955 O VAL A 61 0.020 -11.245 2.871 1.00 0.00 O ATOM 956 CB VAL A 61 -0.209 -12.537 -0.341 1.00 0.00 C ATOM 957 CG1 VAL A 61 0.582 -13.641 -1.045 1.00 0.00 C ATOM 958 CG2 VAL A 61 -1.557 -12.305 -1.027 1.00 0.00 C ATOM 0 H VAL A 61 -1.958 -11.802 2.058 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.116 -13.904 1.273 1.00 0.00 H new ATOM 0 HB VAL A 61 0.366 -11.614 -0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.702 -13.388 -2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.564 -13.738 -0.581 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.045 -14.586 -0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.395 -12.078 -2.081 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.169 -13.203 -0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.069 -11.469 -0.550 1.00 0.00 H new ATOM 968 N THR A 62 1.806 -12.221 1.885 1.00 0.00 N ATOM 969 CA THR A 62 2.781 -11.498 2.682 1.00 0.00 C ATOM 970 C THR A 62 2.939 -10.067 2.164 1.00 0.00 C ATOM 971 O THR A 62 2.028 -9.526 1.539 1.00 0.00 O ATOM 972 CB THR A 62 4.087 -12.296 2.670 1.00 0.00 C ATOM 973 OG1 THR A 62 3.663 -13.656 2.683 1.00 0.00 O ATOM 974 CG2 THR A 62 4.881 -12.140 3.968 1.00 0.00 C ATOM 0 H THR A 62 2.206 -12.869 1.207 1.00 0.00 H new ATOM 0 HA THR A 62 2.452 -11.401 3.716 1.00 0.00 H new ATOM 0 HB THR A 62 4.701 -11.974 1.829 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.447 -14.243 2.675 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.798 -12.726 3.906 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.131 -11.090 4.117 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.280 -12.493 4.806 1.00 0.00 H new ATOM 982 N LEU A 63 4.101 -9.495 2.443 1.00 0.00 N ATOM 983 CA LEU A 63 4.389 -8.137 2.012 1.00 0.00 C ATOM 984 C LEU A 63 5.223 -8.180 0.730 1.00 0.00 C ATOM 985 O LEU A 63 4.753 -7.777 -0.334 1.00 0.00 O ATOM 986 CB LEU A 63 5.043 -7.344 3.145 1.00 0.00 C ATOM 987 CG LEU A 63 6.252 -8.001 3.813 1.00 0.00 C ATOM 988 CD1 LEU A 63 7.551 -7.303 3.405 1.00 0.00 C ATOM 989 CD2 LEU A 63 6.080 -8.048 5.333 1.00 0.00 C ATOM 0 H LEU A 63 4.854 -9.947 2.962 1.00 0.00 H new ATOM 0 HA LEU A 63 3.466 -7.608 1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.352 -6.375 2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.290 -7.153 3.910 1.00 0.00 H new ATOM 0 HG LEU A 63 6.317 -9.031 3.464 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.395 -7.790 3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.673 -7.365 2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.512 -6.256 3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.953 -8.520 5.784 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.976 -7.034 5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.188 -8.624 5.581 1.00 0.00 H new ATOM 1001 N ASP A 64 6.445 -8.671 0.873 1.00 0.00 N ATOM 1002 CA ASP A 64 7.348 -8.771 -0.261 1.00 0.00 C ATOM 1003 C ASP A 64 6.734 -9.691 -1.317 1.00 0.00 C ATOM 1004 O ASP A 64 7.251 -9.798 -2.429 1.00 0.00 O ATOM 1005 CB ASP A 64 8.695 -9.364 0.158 1.00 0.00 C ATOM 1006 CG ASP A 64 9.917 -8.724 -0.503 1.00 0.00 C ATOM 1007 OD1 ASP A 64 9.789 -7.845 -1.367 1.00 0.00 O ATOM 1008 OD2 ASP A 64 11.056 -9.171 -0.091 1.00 0.00 O ATOM 0 H ASP A 64 6.831 -9.004 1.757 1.00 0.00 H new ATOM 0 HA ASP A 64 7.504 -7.768 -0.658 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.795 -9.271 1.239 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.693 -10.430 -0.071 1.00 0.00 H new ATOM 1014 N THR A 65 5.640 -10.333 -0.933 1.00 0.00 N ATOM 1015 CA THR A 65 4.950 -11.241 -1.833 1.00 0.00 C ATOM 1016 C THR A 65 4.181 -10.455 -2.897 1.00 0.00 C ATOM 1017 O THR A 65 3.574 -11.044 -3.791 1.00 0.00 O ATOM 1018 CB THR A 65 4.059 -12.155 -0.991 1.00 0.00 C ATOM 1019 OG1 THR A 65 3.582 -11.310 0.053 1.00 0.00 O ATOM 1020 CG2 THR A 65 4.856 -13.238 -0.260 1.00 0.00 C ATOM 0 H THR A 65 5.215 -10.242 -0.010 1.00 0.00 H new ATOM 0 HA THR A 65 5.655 -11.866 -2.381 1.00 0.00 H new ATOM 0 HB THR A 65 3.312 -12.624 -1.632 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.840 -10.765 -0.281 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.176 -13.859 0.323 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.380 -13.858 -0.988 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.581 -12.769 0.406 1.00 0.00 H new ATOM 1028 N LEU A 66 4.232 -9.138 -2.766 1.00 0.00 N ATOM 1029 CA LEU A 66 3.548 -8.265 -3.706 1.00 0.00 C ATOM 1030 C LEU A 66 3.945 -6.814 -3.429 1.00 0.00 C ATOM 1031 O LEU A 66 4.200 -6.049 -4.358 1.00 0.00 O ATOM 1032 CB LEU A 66 2.038 -8.509 -3.661 1.00 0.00 C ATOM 1033 CG LEU A 66 1.434 -8.717 -2.271 1.00 0.00 C ATOM 1034 CD1 LEU A 66 0.962 -7.390 -1.673 1.00 0.00 C ATOM 1035 CD2 LEU A 66 0.313 -9.758 -2.311 1.00 0.00 C ATOM 0 H LEU A 66 4.736 -8.654 -2.023 1.00 0.00 H new ATOM 0 HA LEU A 66 3.854 -8.490 -4.728 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.539 -7.661 -4.129 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.813 -9.386 -4.268 1.00 0.00 H new ATOM 0 HG LEU A 66 2.213 -9.106 -1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.537 -7.567 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.808 -6.708 -1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.204 -6.948 -2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.099 -9.887 -1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.473 -9.421 -2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.712 -10.709 -2.665 1.00 0.00 H new ATOM 1047 N THR A 67 3.986 -6.479 -2.148 1.00 0.00 N ATOM 1048 CA THR A 67 4.348 -5.133 -1.738 1.00 0.00 C ATOM 1049 C THR A 67 5.539 -4.628 -2.556 1.00 0.00 C ATOM 1050 O THR A 67 6.339 -5.422 -3.049 1.00 0.00 O ATOM 1051 CB THR A 67 4.611 -5.152 -0.231 1.00 0.00 C ATOM 1052 OG1 THR A 67 4.315 -3.824 0.191 1.00 0.00 O ATOM 1053 CG2 THR A 67 6.094 -5.328 0.103 1.00 0.00 C ATOM 0 H THR A 67 3.775 -7.116 -1.380 1.00 0.00 H new ATOM 0 HA THR A 67 3.538 -4.430 -1.933 1.00 0.00 H new ATOM 0 HB THR A 67 4.038 -5.959 0.226 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.458 -3.748 1.158 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.225 -5.335 1.185 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.451 -6.271 -0.312 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.664 -4.504 -0.326 1.00 0.00 H new ATOM 1061 N GLU A 68 5.619 -3.311 -2.674 1.00 0.00 N ATOM 1062 CA GLU A 68 6.698 -2.691 -3.424 1.00 0.00 C ATOM 1063 C GLU A 68 8.046 -3.273 -2.993 1.00 0.00 C ATOM 1064 O GLU A 68 9.017 -3.222 -3.746 1.00 0.00 O ATOM 1065 CB GLU A 68 6.679 -1.170 -3.257 1.00 0.00 C ATOM 1066 CG GLU A 68 5.934 -0.501 -4.414 1.00 0.00 C ATOM 1067 CD GLU A 68 6.808 0.560 -5.087 1.00 0.00 C ATOM 1068 OE1 GLU A 68 6.575 1.763 -4.903 1.00 0.00 O ATOM 1069 OE2 GLU A 68 7.759 0.095 -5.824 1.00 0.00 O ATOM 0 H GLU A 68 4.954 -2.656 -2.263 1.00 0.00 H new ATOM 0 HA GLU A 68 6.551 -2.909 -4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.200 -0.910 -2.313 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.701 -0.793 -3.211 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.640 -1.253 -5.146 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.017 -0.041 -4.044 1.00 0.00 H new ATOM 1077 N LYS A 69 8.062 -3.812 -1.783 1.00 0.00 N ATOM 1078 CA LYS A 69 9.275 -4.403 -1.243 1.00 0.00 C ATOM 1079 C LYS A 69 9.884 -5.345 -2.283 1.00 0.00 C ATOM 1080 O LYS A 69 11.100 -5.528 -2.323 1.00 0.00 O ATOM 1081 CB LYS A 69 8.991 -5.073 0.103 1.00 0.00 C ATOM 1082 CG LYS A 69 10.293 -5.455 0.810 1.00 0.00 C ATOM 1083 CD LYS A 69 10.061 -6.590 1.810 1.00 0.00 C ATOM 1084 CE LYS A 69 11.386 -7.224 2.236 1.00 0.00 C ATOM 1085 NZ LYS A 69 11.143 -8.400 3.102 1.00 0.00 N ATOM 0 H LYS A 69 7.255 -3.852 -1.161 1.00 0.00 H new ATOM 0 HA LYS A 69 10.017 -3.631 -1.038 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.414 -4.398 0.735 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.382 -5.964 -0.051 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.035 -5.761 0.073 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.698 -4.586 1.328 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.539 -6.206 2.686 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.418 -7.348 1.363 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.952 -7.525 1.354 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.992 -6.491 2.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.053 -8.819 3.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.622 -8.104 3.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.583 -9.105 2.581 1.00 0.00 H new ATOM 1098 N HIS A 70 9.012 -5.920 -3.098 1.00 0.00 N ATOM 1099 CA HIS A 70 9.449 -6.839 -4.135 1.00 0.00 C ATOM 1100 C HIS A 70 10.182 -6.064 -5.232 1.00 0.00 C ATOM 1101 O HIS A 70 11.329 -6.369 -5.552 1.00 0.00 O ATOM 1102 CB HIS A 70 8.270 -7.654 -4.671 1.00 0.00 C ATOM 1103 CG HIS A 70 8.526 -8.293 -6.014 1.00 0.00 C ATOM 1104 ND1 HIS A 70 9.238 -9.472 -6.160 1.00 0.00 N ATOM 1105 CD2 HIS A 70 8.158 -7.908 -7.270 1.00 0.00 C ATOM 1106 CE1 HIS A 70 9.290 -9.772 -7.450 1.00 0.00 C ATOM 1107 NE2 HIS A 70 8.621 -8.801 -8.136 1.00 0.00 N ATOM 0 H HIS A 70 8.004 -5.767 -3.061 1.00 0.00 H new ATOM 0 HA HIS A 70 10.152 -7.559 -3.715 1.00 0.00 H new ATOM 0 HB2 HIS A 70 8.023 -8.434 -3.950 1.00 0.00 H new ATOM 0 HB3 HIS A 70 7.398 -7.004 -4.749 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.587 -7.026 -7.518 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.777 -10.634 -7.882 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.497 -8.767 -9.148 1.00 0.00 H new ATOM 1115 N ALA A 71 9.488 -5.076 -5.778 1.00 0.00 N ATOM 1116 CA ALA A 71 10.058 -4.255 -6.833 1.00 0.00 C ATOM 1117 C ALA A 71 11.336 -3.589 -6.320 1.00 0.00 C ATOM 1118 O ALA A 71 12.378 -3.654 -6.970 1.00 0.00 O ATOM 1119 CB ALA A 71 9.019 -3.236 -7.305 1.00 0.00 C ATOM 0 H ALA A 71 8.536 -4.826 -5.510 1.00 0.00 H new ATOM 0 HA ALA A 71 10.328 -4.868 -7.693 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.447 -2.620 -8.096 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.143 -3.760 -7.686 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.726 -2.601 -6.469 1.00 0.00 H new ATOM 1125 N GLU A 72 11.215 -2.964 -5.158 1.00 0.00 N ATOM 1126 CA GLU A 72 12.348 -2.286 -4.551 1.00 0.00 C ATOM 1127 C GLU A 72 13.467 -3.287 -4.253 1.00 0.00 C ATOM 1128 O GLU A 72 14.638 -3.004 -4.499 1.00 0.00 O ATOM 1129 CB GLU A 72 11.926 -1.542 -3.282 1.00 0.00 C ATOM 1130 CG GLU A 72 12.511 -0.129 -3.256 1.00 0.00 C ATOM 1131 CD GLU A 72 11.498 0.874 -2.700 1.00 0.00 C ATOM 1132 OE1 GLU A 72 10.663 0.510 -1.859 1.00 0.00 O ATOM 1133 OE2 GLU A 72 11.600 2.070 -3.171 1.00 0.00 O ATOM 0 H GLU A 72 10.350 -2.913 -4.621 1.00 0.00 H new ATOM 0 HA GLU A 72 12.726 -1.547 -5.257 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.838 -1.490 -3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.260 -2.094 -2.404 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.413 -0.116 -2.645 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.804 0.166 -4.264 1.00 0.00 H new ATOM 1141 N GLN A 73 13.066 -4.435 -3.728 1.00 0.00 N ATOM 1142 CA GLN A 73 14.020 -5.479 -3.394 1.00 0.00 C ATOM 1143 C GLN A 73 14.939 -5.758 -4.585 1.00 0.00 C ATOM 1144 O GLN A 73 16.134 -5.991 -4.410 1.00 0.00 O ATOM 1145 CB GLN A 73 13.304 -6.753 -2.943 1.00 0.00 C ATOM 1146 CG GLN A 73 14.179 -7.986 -3.177 1.00 0.00 C ATOM 1147 CD GLN A 73 13.674 -9.179 -2.363 1.00 0.00 C ATOM 1148 OE1 GLN A 73 13.927 -9.306 -1.176 1.00 0.00 O ATOM 1149 NE2 GLN A 73 12.947 -10.044 -3.065 1.00 0.00 N ATOM 0 H GLN A 73 12.093 -4.665 -3.526 1.00 0.00 H new ATOM 0 HA GLN A 73 14.632 -5.132 -2.561 1.00 0.00 H new ATOM 0 HB2 GLN A 73 13.051 -6.677 -1.885 1.00 0.00 H new ATOM 0 HB3 GLN A 73 12.366 -6.860 -3.488 1.00 0.00 H new ATOM 0 HG2 GLN A 73 14.181 -8.239 -4.237 1.00 0.00 H new ATOM 0 HG3 GLN A 73 15.210 -7.763 -2.901 1.00 0.00 H new ATOM 0 HE21 GLN A 73 12.773 -9.878 -4.056 1.00 0.00 H new ATOM 0 HE22 GLN A 73 12.564 -10.874 -2.612 1.00 0.00 H new ATOM 1158 N GLU A 74 14.346 -5.726 -5.769 1.00 0.00 N ATOM 1159 CA GLU A 74 15.097 -5.973 -6.989 1.00 0.00 C ATOM 1160 C GLU A 74 15.425 -4.652 -7.687 1.00 0.00 C ATOM 1161 O GLU A 74 15.512 -4.599 -8.913 1.00 0.00 O ATOM 1162 CB GLU A 74 14.331 -6.912 -7.923 1.00 0.00 C ATOM 1163 CG GLU A 74 14.869 -8.341 -7.827 1.00 0.00 C ATOM 1164 CD GLU A 74 14.849 -9.027 -9.194 1.00 0.00 C ATOM 1165 OE1 GLU A 74 13.955 -8.758 -10.010 1.00 0.00 O ATOM 1166 OE2 GLU A 74 15.807 -9.867 -9.397 1.00 0.00 O ATOM 0 H GLU A 74 13.354 -5.533 -5.910 1.00 0.00 H new ATOM 0 HA GLU A 74 16.034 -6.463 -6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.272 -6.901 -7.667 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.414 -6.557 -8.950 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.888 -8.325 -7.439 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.268 -8.913 -7.120 1.00 0.00 H new ATOM 1174 N ASN A 75 15.597 -3.618 -6.877 1.00 0.00 N ATOM 1175 CA ASN A 75 15.914 -2.301 -7.401 1.00 0.00 C ATOM 1176 C ASN A 75 16.793 -1.554 -6.397 1.00 0.00 C ATOM 1177 O ASN A 75 17.918 -1.172 -6.715 1.00 0.00 O ATOM 1178 CB ASN A 75 14.644 -1.476 -7.622 1.00 0.00 C ATOM 1179 CG ASN A 75 14.376 -1.271 -9.115 1.00 0.00 C ATOM 1180 OD1 ASN A 75 15.217 -0.802 -9.864 1.00 0.00 O ATOM 1181 ND2 ASN A 75 13.161 -1.648 -9.503 1.00 0.00 N ATOM 0 H ASN A 75 15.523 -3.666 -5.861 1.00 0.00 H new ATOM 0 HA ASN A 75 16.430 -2.433 -8.352 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.794 -1.980 -7.162 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.745 -0.508 -7.131 1.00 0.00 H new ATOM 0 HD21 ASN A 75 12.885 -1.552 -10.480 1.00 0.00 H new ATOM 0 HD22 ASN A 75 12.505 -2.033 -8.823 1.00 0.00 H new ATOM 1188 N MET A 76 16.247 -1.369 -5.204 1.00 0.00 N ATOM 1189 CA MET A 76 16.968 -0.675 -4.150 1.00 0.00 C ATOM 1190 C MET A 76 17.778 -1.657 -3.302 1.00 0.00 C ATOM 1191 O MET A 76 17.733 -2.864 -3.530 1.00 0.00 O ATOM 1192 CB MET A 76 15.975 0.073 -3.258 1.00 0.00 C ATOM 1193 CG MET A 76 15.131 1.051 -4.078 1.00 0.00 C ATOM 1194 SD MET A 76 16.155 2.380 -4.686 1.00 0.00 S ATOM 1195 CE MET A 76 14.906 3.617 -4.996 1.00 0.00 C ATOM 0 H MET A 76 15.314 -1.688 -4.944 1.00 0.00 H new ATOM 0 HA MET A 76 17.658 0.032 -4.612 1.00 0.00 H new ATOM 0 HB2 MET A 76 15.324 -0.641 -2.754 1.00 0.00 H new ATOM 0 HB3 MET A 76 16.515 0.615 -2.482 1.00 0.00 H new ATOM 0 HG2 MET A 76 14.664 0.529 -4.913 1.00 0.00 H new ATOM 0 HG3 MET A 76 14.326 1.453 -3.463 1.00 0.00 H new ATOM 0 HE1 MET A 76 15.377 4.521 -5.383 1.00 0.00 H new ATOM 0 HE2 MET A 76 14.192 3.238 -5.727 1.00 0.00 H new ATOM 0 HE3 MET A 76 14.385 3.849 -4.067 1.00 0.00 H new ATOM 1205 N THR A 77 18.501 -1.101 -2.340 1.00 0.00 N ATOM 1206 CA THR A 77 19.320 -1.913 -1.456 1.00 0.00 C ATOM 1207 C THR A 77 18.481 -2.450 -0.294 1.00 0.00 C ATOM 1208 O THR A 77 17.264 -2.270 -0.268 1.00 0.00 O ATOM 1209 CB THR A 77 20.511 -1.066 -1.004 1.00 0.00 C ATOM 1210 OG1 THR A 77 21.218 -1.913 -0.102 1.00 0.00 O ATOM 1211 CG2 THR A 77 20.088 0.126 -0.142 1.00 0.00 C ATOM 0 H THR A 77 18.536 -0.099 -2.154 1.00 0.00 H new ATOM 0 HA THR A 77 19.705 -2.793 -1.972 1.00 0.00 H new ATOM 0 HB THR A 77 21.054 -0.707 -1.879 1.00 0.00 H new ATOM 0 HG1 THR A 77 21.125 -1.569 0.811 1.00 0.00 H new ATOM 0 HG21 THR A 77 20.971 0.694 0.152 1.00 0.00 H new ATOM 0 HG22 THR A 77 19.417 0.768 -0.713 1.00 0.00 H new ATOM 0 HG23 THR A 77 19.575 -0.234 0.750 1.00 0.00 H new ATOM 1219 N LEU A 78 19.164 -3.098 0.638 1.00 0.00 N ATOM 1220 CA LEU A 78 18.497 -3.662 1.799 1.00 0.00 C ATOM 1221 C LEU A 78 18.036 -2.528 2.717 1.00 0.00 C ATOM 1222 O LEU A 78 16.930 -2.570 3.255 1.00 0.00 O ATOM 1223 CB LEU A 78 19.399 -4.686 2.491 1.00 0.00 C ATOM 1224 CG LEU A 78 18.784 -6.065 2.734 1.00 0.00 C ATOM 1225 CD1 LEU A 78 19.201 -7.052 1.642 1.00 0.00 C ATOM 1226 CD2 LEU A 78 19.127 -6.579 4.134 1.00 0.00 C ATOM 0 H LEU A 78 20.173 -3.245 0.613 1.00 0.00 H new ATOM 0 HA LEU A 78 17.605 -4.211 1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 78 20.299 -4.812 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 78 19.712 -4.275 3.451 1.00 0.00 H new ATOM 0 HG LEU A 78 17.699 -5.969 2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 78 18.750 -8.025 1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 78 18.864 -6.685 0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 78 20.287 -7.150 1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 78 18.678 -7.561 4.281 1.00 0.00 H new ATOM 0 HD22 LEU A 78 20.209 -6.656 4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 78 18.739 -5.887 4.881 1.00 0.00 H new ATOM 1238 N THR A 79 18.907 -1.541 2.869 1.00 0.00 N ATOM 1239 CA THR A 79 18.603 -0.399 3.714 1.00 0.00 C ATOM 1240 C THR A 79 17.321 0.288 3.241 1.00 0.00 C ATOM 1241 O THR A 79 16.447 0.603 4.047 1.00 0.00 O ATOM 1242 CB THR A 79 19.823 0.526 3.715 1.00 0.00 C ATOM 1243 OG1 THR A 79 20.757 -0.134 4.565 1.00 0.00 O ATOM 1244 CG2 THR A 79 19.549 1.855 4.422 1.00 0.00 C ATOM 0 H THR A 79 19.823 -1.509 2.421 1.00 0.00 H new ATOM 0 HA THR A 79 18.409 -0.707 4.741 1.00 0.00 H new ATOM 0 HB THR A 79 20.134 0.719 2.688 1.00 0.00 H new ATOM 0 HG1 THR A 79 21.579 0.396 4.621 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.446 2.474 4.394 1.00 0.00 H new ATOM 0 HG22 THR A 79 18.734 2.374 3.917 1.00 0.00 H new ATOM 0 HG23 THR A 79 19.271 1.665 5.459 1.00 0.00 H new ATOM 1252 N GLU A 80 17.249 0.501 1.935 1.00 0.00 N ATOM 1253 CA GLU A 80 16.088 1.145 1.344 1.00 0.00 C ATOM 1254 C GLU A 80 14.824 0.332 1.636 1.00 0.00 C ATOM 1255 O GLU A 80 13.774 0.897 1.935 1.00 0.00 O ATOM 1256 CB GLU A 80 16.277 1.343 -0.161 1.00 0.00 C ATOM 1257 CG GLU A 80 16.820 2.741 -0.466 1.00 0.00 C ATOM 1258 CD GLU A 80 17.798 3.197 0.619 1.00 0.00 C ATOM 1259 OE1 GLU A 80 18.773 2.490 0.912 1.00 0.00 O ATOM 1260 OE2 GLU A 80 17.517 4.333 1.163 1.00 0.00 O ATOM 0 H GLU A 80 17.976 0.239 1.269 1.00 0.00 H new ATOM 0 HA GLU A 80 15.975 2.131 1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.964 0.590 -0.547 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.325 1.199 -0.673 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.321 2.737 -1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.994 3.449 -0.537 1.00 0.00 H new ATOM 1268 N LEU A 81 14.969 -0.981 1.539 1.00 0.00 N ATOM 1269 CA LEU A 81 13.853 -1.877 1.788 1.00 0.00 C ATOM 1270 C LEU A 81 13.380 -1.707 3.233 1.00 0.00 C ATOM 1271 O LEU A 81 12.181 -1.742 3.506 1.00 0.00 O ATOM 1272 CB LEU A 81 14.230 -3.316 1.431 1.00 0.00 C ATOM 1273 CG LEU A 81 14.206 -3.666 -0.059 1.00 0.00 C ATOM 1274 CD1 LEU A 81 12.978 -4.510 -0.404 1.00 0.00 C ATOM 1275 CD2 LEU A 81 14.295 -2.404 -0.920 1.00 0.00 C ATOM 0 H LEU A 81 15.842 -1.446 1.291 1.00 0.00 H new ATOM 0 HA LEU A 81 13.011 -1.623 1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 81 15.231 -3.514 1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.550 -3.989 1.953 1.00 0.00 H new ATOM 0 HG LEU A 81 15.085 -4.271 -0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.985 -4.745 -1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 81 12.999 -5.435 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.073 -3.952 -0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.276 -2.681 -1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.449 -1.753 -0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 81 15.224 -1.878 -0.700 1.00 0.00 H new ATOM 1287 N LYS A 82 14.347 -1.525 4.121 1.00 0.00 N ATOM 1288 CA LYS A 82 14.045 -1.348 5.531 1.00 0.00 C ATOM 1289 C LYS A 82 13.408 0.027 5.744 1.00 0.00 C ATOM 1290 O LYS A 82 12.606 0.209 6.658 1.00 0.00 O ATOM 1291 CB LYS A 82 15.295 -1.585 6.381 1.00 0.00 C ATOM 1292 CG LYS A 82 14.966 -2.424 7.617 1.00 0.00 C ATOM 1293 CD LYS A 82 15.583 -3.820 7.512 1.00 0.00 C ATOM 1294 CE LYS A 82 15.155 -4.698 8.690 1.00 0.00 C ATOM 1295 NZ LYS A 82 15.600 -6.095 8.484 1.00 0.00 N ATOM 0 H LYS A 82 15.340 -1.496 3.891 1.00 0.00 H new ATOM 0 HA LYS A 82 13.318 -2.091 5.860 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.054 -2.091 5.785 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.717 -0.628 6.688 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.339 -1.924 8.510 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.885 -2.508 7.727 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.278 -4.287 6.576 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.670 -3.740 7.489 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.579 -4.308 9.615 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.071 -4.668 8.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.301 -6.677 9.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.175 -6.470 7.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.637 -6.121 8.403 1.00 0.00 H new ATOM 1308 N LYS A 83 13.790 0.960 4.884 1.00 0.00 N ATOM 1309 CA LYS A 83 13.267 2.313 4.966 1.00 0.00 C ATOM 1310 C LYS A 83 11.796 2.313 4.544 1.00 0.00 C ATOM 1311 O LYS A 83 10.937 2.799 5.278 1.00 0.00 O ATOM 1312 CB LYS A 83 14.139 3.274 4.156 1.00 0.00 C ATOM 1313 CG LYS A 83 14.467 4.531 4.965 1.00 0.00 C ATOM 1314 CD LYS A 83 14.027 5.793 4.220 1.00 0.00 C ATOM 1315 CE LYS A 83 14.425 7.052 4.992 1.00 0.00 C ATOM 1316 NZ LYS A 83 13.222 7.766 5.476 1.00 0.00 N ATOM 0 H LYS A 83 14.456 0.805 4.127 1.00 0.00 H new ATOM 0 HA LYS A 83 13.304 2.674 5.994 1.00 0.00 H new ATOM 0 HB2 LYS A 83 15.062 2.774 3.864 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.623 3.553 3.237 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.970 4.484 5.934 1.00 0.00 H new ATOM 0 HG3 LYS A 83 15.539 4.574 5.159 1.00 0.00 H new ATOM 0 HD2 LYS A 83 14.480 5.811 3.229 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.947 5.777 4.076 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.059 6.782 5.836 1.00 0.00 H new ATOM 0 HE3 LYS A 83 15.011 7.709 4.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.511 8.618 5.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.631 8.040 4.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.678 7.142 6.106 1.00 0.00 H new ATOM 1329 N VAL A 84 11.552 1.762 3.364 1.00 0.00 N ATOM 1330 CA VAL A 84 10.200 1.692 2.836 1.00 0.00 C ATOM 1331 C VAL A 84 9.353 0.788 3.734 1.00 0.00 C ATOM 1332 O VAL A 84 8.188 1.084 3.995 1.00 0.00 O ATOM 1333 CB VAL A 84 10.231 1.228 1.379 1.00 0.00 C ATOM 1334 CG1 VAL A 84 11.259 2.024 0.571 1.00 0.00 C ATOM 1335 CG2 VAL A 84 10.506 -0.274 1.288 1.00 0.00 C ATOM 0 H VAL A 84 12.268 1.360 2.759 1.00 0.00 H new ATOM 0 HA VAL A 84 9.737 2.679 2.839 1.00 0.00 H new ATOM 0 HB VAL A 84 9.248 1.415 0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 84 11.261 1.674 -0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 84 11.000 3.082 0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.250 1.883 1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.523 -0.578 0.241 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.470 -0.496 1.746 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.721 -0.820 1.812 1.00 0.00 H new ATOM 1345 N ILE A 85 9.971 -0.295 4.181 1.00 0.00 N ATOM 1346 CA ILE A 85 9.288 -1.244 5.044 1.00 0.00 C ATOM 1347 C ILE A 85 8.896 -0.549 6.349 1.00 0.00 C ATOM 1348 O ILE A 85 7.817 -0.794 6.887 1.00 0.00 O ATOM 1349 CB ILE A 85 10.144 -2.496 5.247 1.00 0.00 C ATOM 1350 CG1 ILE A 85 10.080 -3.408 4.020 1.00 0.00 C ATOM 1351 CG2 ILE A 85 9.746 -3.230 6.529 1.00 0.00 C ATOM 1352 CD1 ILE A 85 8.950 -4.431 4.155 1.00 0.00 C ATOM 0 H ILE A 85 10.937 -0.537 3.962 1.00 0.00 H new ATOM 0 HA ILE A 85 8.366 -1.589 4.576 1.00 0.00 H new ATOM 0 HB ILE A 85 11.182 -2.186 5.363 1.00 0.00 H new ATOM 0 HG12 ILE A 85 9.926 -2.807 3.124 1.00 0.00 H new ATOM 0 HG13 ILE A 85 11.031 -3.926 3.897 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.370 -4.116 6.650 1.00 0.00 H new ATOM 0 HG22 ILE A 85 9.885 -2.569 7.385 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.699 -3.529 6.467 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.927 -5.066 3.270 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.120 -5.046 5.039 1.00 0.00 H new ATOM 0 HD13 ILE A 85 7.997 -3.910 4.253 1.00 0.00 H new ATOM 1364 N ALA A 86 9.793 0.305 6.821 1.00 0.00 N ATOM 1365 CA ALA A 86 9.554 1.037 8.053 1.00 0.00 C ATOM 1366 C ALA A 86 8.595 2.195 7.775 1.00 0.00 C ATOM 1367 O ALA A 86 7.954 2.709 8.691 1.00 0.00 O ATOM 1368 CB ALA A 86 10.889 1.511 8.632 1.00 0.00 C ATOM 0 H ALA A 86 10.687 0.506 6.372 1.00 0.00 H new ATOM 0 HA ALA A 86 9.086 0.393 8.798 1.00 0.00 H new ATOM 0 HB1 ALA A 86 10.710 2.060 9.556 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.522 0.649 8.839 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.387 2.162 7.913 1.00 0.00 H new ATOM 1374 N ASP A 87 8.526 2.573 6.507 1.00 0.00 N ATOM 1375 CA ASP A 87 7.655 3.662 6.097 1.00 0.00 C ATOM 1376 C ASP A 87 6.251 3.114 5.831 1.00 0.00 C ATOM 1377 O ASP A 87 5.263 3.830 5.983 1.00 0.00 O ATOM 1378 CB ASP A 87 8.159 4.315 4.809 1.00 0.00 C ATOM 1379 CG ASP A 87 8.421 5.820 4.906 1.00 0.00 C ATOM 1380 OD1 ASP A 87 9.545 6.289 4.675 1.00 0.00 O ATOM 1381 OD2 ASP A 87 7.397 6.530 5.239 1.00 0.00 O ATOM 0 H ASP A 87 9.059 2.145 5.750 1.00 0.00 H new ATOM 0 HA ASP A 87 7.643 4.403 6.896 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.081 3.820 4.505 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.428 4.139 4.020 1.00 0.00 H new ATOM 1387 N ILE A 88 6.209 1.849 5.438 1.00 0.00 N ATOM 1388 CA ILE A 88 4.943 1.197 5.150 1.00 0.00 C ATOM 1389 C ILE A 88 4.339 0.668 6.452 1.00 0.00 C ATOM 1390 O ILE A 88 3.223 1.035 6.816 1.00 0.00 O ATOM 1391 CB ILE A 88 5.126 0.123 4.076 1.00 0.00 C ATOM 1392 CG1 ILE A 88 3.833 -0.089 3.286 1.00 0.00 C ATOM 1393 CG2 ILE A 88 5.645 -1.180 4.687 1.00 0.00 C ATOM 1394 CD1 ILE A 88 4.132 -0.427 1.824 1.00 0.00 C ATOM 0 H ILE A 88 7.031 1.259 5.312 1.00 0.00 H new ATOM 0 HA ILE A 88 4.232 1.912 4.736 1.00 0.00 H new ATOM 0 HB ILE A 88 5.880 0.471 3.370 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.255 -0.895 3.738 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.220 0.811 3.337 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.766 -1.927 3.902 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.606 -0.999 5.167 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.932 -1.544 5.427 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.196 -0.573 1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.689 0.391 1.368 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.724 -1.341 1.776 1.00 0.00 H new ATOM 1406 N TYR A 89 5.102 -0.186 7.118 1.00 0.00 N ATOM 1407 CA TYR A 89 4.655 -0.769 8.371 1.00 0.00 C ATOM 1408 C TYR A 89 5.618 -1.862 8.841 1.00 0.00 C ATOM 1409 O TYR A 89 6.048 -2.698 8.048 1.00 0.00 O ATOM 1410 CB TYR A 89 3.291 -1.397 8.082 1.00 0.00 C ATOM 1411 CG TYR A 89 3.301 -2.402 6.928 1.00 0.00 C ATOM 1412 CD1 TYR A 89 3.859 -3.652 7.106 1.00 0.00 C ATOM 1413 CD2 TYR A 89 2.751 -2.059 5.709 1.00 0.00 C ATOM 1414 CE1 TYR A 89 3.869 -4.597 6.020 1.00 0.00 C ATOM 1415 CE2 TYR A 89 2.761 -3.005 4.624 1.00 0.00 C ATOM 1416 CZ TYR A 89 3.319 -4.227 4.833 1.00 0.00 C ATOM 1417 OH TYR A 89 3.328 -5.121 3.807 1.00 0.00 O ATOM 0 H TYR A 89 6.027 -0.488 6.813 1.00 0.00 H new ATOM 0 HA TYR A 89 4.608 -0.010 9.152 1.00 0.00 H new ATOM 0 HB2 TYR A 89 2.934 -1.897 8.983 1.00 0.00 H new ATOM 0 HB3 TYR A 89 2.578 -0.604 7.854 1.00 0.00 H new ATOM 0 HD1 TYR A 89 4.288 -3.921 8.060 1.00 0.00 H new ATOM 0 HD2 TYR A 89 2.313 -1.081 5.570 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.304 -5.578 6.145 1.00 0.00 H new ATOM 0 HE2 TYR A 89 2.335 -2.750 3.665 1.00 0.00 H new ATOM 0 HH TYR A 89 3.824 -4.745 3.050 1.00 0.00 H new ATOM 1427 N PRO A 90 5.935 -1.818 10.163 1.00 0.00 N ATOM 1428 CA PRO A 90 6.839 -2.795 10.748 1.00 0.00 C ATOM 1429 C PRO A 90 6.145 -4.147 10.923 1.00 0.00 C ATOM 1430 O PRO A 90 4.917 -4.224 10.923 1.00 0.00 O ATOM 1431 CB PRO A 90 7.283 -2.180 12.065 1.00 0.00 C ATOM 1432 CG PRO A 90 6.261 -1.102 12.388 1.00 0.00 C ATOM 1433 CD PRO A 90 5.444 -0.843 11.132 1.00 0.00 C ATOM 0 HA PRO A 90 7.699 -3.007 10.113 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.320 -2.931 12.854 1.00 0.00 H new ATOM 0 HB3 PRO A 90 8.284 -1.756 11.980 1.00 0.00 H new ATOM 0 HG2 PRO A 90 5.614 -1.422 13.205 1.00 0.00 H new ATOM 0 HG3 PRO A 90 6.759 -0.189 12.714 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.378 -0.973 11.319 1.00 0.00 H new ATOM 0 HD3 PRO A 90 5.583 0.177 10.773 1.00 0.00 H new ATOM 1441 N GLY A 91 6.962 -5.180 11.069 1.00 0.00 N ATOM 1442 CA GLY A 91 6.442 -6.526 11.245 1.00 0.00 C ATOM 1443 C GLY A 91 6.509 -7.315 9.935 1.00 0.00 C ATOM 1444 O GLY A 91 5.949 -6.894 8.924 1.00 0.00 O ATOM 0 H GLY A 91 7.980 -5.112 11.069 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.015 -7.043 12.015 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.410 -6.479 11.593 1.00 0.00 H new ATOM 1448 N GLN A 92 7.198 -8.445 9.997 1.00 0.00 N ATOM 1449 CA GLN A 92 7.345 -9.296 8.829 1.00 0.00 C ATOM 1450 C GLN A 92 6.501 -10.563 8.986 1.00 0.00 C ATOM 1451 O GLN A 92 7.018 -11.616 9.354 1.00 0.00 O ATOM 1452 CB GLN A 92 8.815 -9.644 8.585 1.00 0.00 C ATOM 1453 CG GLN A 92 9.068 -9.951 7.107 1.00 0.00 C ATOM 1454 CD GLN A 92 10.400 -10.678 6.919 1.00 0.00 C ATOM 1455 OE1 GLN A 92 11.471 -10.103 7.020 1.00 0.00 O ATOM 1456 NE2 GLN A 92 10.275 -11.973 6.641 1.00 0.00 N ATOM 0 H GLN A 92 7.660 -8.791 10.838 1.00 0.00 H new ATOM 0 HA GLN A 92 6.986 -8.749 7.958 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.446 -8.813 8.901 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.094 -10.505 9.192 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.256 -10.564 6.715 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.072 -9.023 6.535 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.348 -12.392 6.571 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.106 -12.547 6.498 1.00 0.00 H new ATOM 1465 N THR A 93 5.215 -10.418 8.698 1.00 0.00 N ATOM 1466 CA THR A 93 4.295 -11.537 8.802 1.00 0.00 C ATOM 1467 C THR A 93 3.233 -11.459 7.703 1.00 0.00 C ATOM 1468 O THR A 93 2.920 -10.375 7.214 1.00 0.00 O ATOM 1469 CB THR A 93 3.708 -11.536 10.215 1.00 0.00 C ATOM 1470 OG1 THR A 93 2.816 -10.425 10.220 1.00 0.00 O ATOM 1471 CG2 THR A 93 4.747 -11.185 11.281 1.00 0.00 C ATOM 0 H THR A 93 4.789 -9.543 8.393 1.00 0.00 H new ATOM 0 HA THR A 93 4.808 -12.486 8.648 1.00 0.00 H new ATOM 0 HB THR A 93 3.283 -12.516 10.432 1.00 0.00 H new ATOM 0 HG1 THR A 93 2.390 -10.352 11.099 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.278 -11.199 12.265 1.00 0.00 H new ATOM 0 HG22 THR A 93 5.556 -11.915 11.255 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.149 -10.191 11.084 1.00 0.00 H new ATOM 1479 N GLN A 94 2.709 -12.623 7.347 1.00 0.00 N ATOM 1480 CA GLN A 94 1.689 -12.699 6.315 1.00 0.00 C ATOM 1481 C GLN A 94 0.385 -12.069 6.809 1.00 0.00 C ATOM 1482 O GLN A 94 0.074 -12.128 7.997 1.00 0.00 O ATOM 1483 CB GLN A 94 1.465 -14.147 5.872 1.00 0.00 C ATOM 1484 CG GLN A 94 1.323 -14.239 4.351 1.00 0.00 C ATOM 1485 CD GLN A 94 -0.095 -14.657 3.958 1.00 0.00 C ATOM 1486 OE1 GLN A 94 -1.083 -14.141 4.455 1.00 0.00 O ATOM 1487 NE2 GLN A 94 -0.141 -15.617 3.038 1.00 0.00 N ATOM 0 H GLN A 94 2.972 -13.520 7.755 1.00 0.00 H new ATOM 0 HA GLN A 94 2.035 -12.137 5.448 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.300 -14.765 6.201 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.568 -14.543 6.349 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.560 -13.275 3.901 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.041 -14.959 3.958 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.724 -16.006 2.663 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.041 -15.964 2.708 1.00 0.00 H new ATOM 1496 N PHE A 95 -0.342 -11.480 5.871 1.00 0.00 N ATOM 1497 CA PHE A 95 -1.605 -10.839 6.196 1.00 0.00 C ATOM 1498 C PHE A 95 -2.446 -10.615 4.938 1.00 0.00 C ATOM 1499 O PHE A 95 -2.037 -10.987 3.839 1.00 0.00 O ATOM 1500 CB PHE A 95 -1.271 -9.483 6.820 1.00 0.00 C ATOM 1501 CG PHE A 95 0.157 -9.007 6.548 1.00 0.00 C ATOM 1502 CD1 PHE A 95 0.696 -9.148 5.307 1.00 0.00 C ATOM 1503 CD2 PHE A 95 0.888 -8.444 7.546 1.00 0.00 C ATOM 1504 CE1 PHE A 95 2.021 -8.707 5.054 1.00 0.00 C ATOM 1505 CE2 PHE A 95 2.214 -8.002 7.293 1.00 0.00 C ATOM 1506 CZ PHE A 95 2.753 -8.143 6.053 1.00 0.00 C ATOM 0 H PHE A 95 -0.081 -11.433 4.886 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.178 -11.470 6.876 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.970 -8.738 6.440 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -1.424 -9.543 7.898 1.00 0.00 H new ATOM 0 HD1 PHE A 95 0.115 -9.596 4.514 1.00 0.00 H new ATOM 0 HD2 PHE A 95 0.461 -8.333 8.532 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.448 -8.819 4.069 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.794 -7.554 8.086 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.761 -7.808 5.861 1.00 0.00 H new ATOM 1516 N TYR A 96 -3.606 -10.008 5.141 1.00 0.00 N ATOM 1517 CA TYR A 96 -4.509 -9.730 4.036 1.00 0.00 C ATOM 1518 C TYR A 96 -3.897 -8.712 3.071 1.00 0.00 C ATOM 1519 O TYR A 96 -3.117 -7.854 3.482 1.00 0.00 O ATOM 1520 CB TYR A 96 -5.769 -9.129 4.662 1.00 0.00 C ATOM 1521 CG TYR A 96 -6.967 -10.080 4.682 1.00 0.00 C ATOM 1522 CD1 TYR A 96 -6.831 -11.350 5.204 1.00 0.00 C ATOM 1523 CD2 TYR A 96 -8.184 -9.667 4.180 1.00 0.00 C ATOM 1524 CE1 TYR A 96 -7.960 -12.245 5.224 1.00 0.00 C ATOM 1525 CE2 TYR A 96 -9.313 -10.562 4.199 1.00 0.00 C ATOM 1526 CZ TYR A 96 -9.145 -11.806 4.720 1.00 0.00 C ATOM 1527 OH TYR A 96 -10.210 -12.651 4.739 1.00 0.00 O ATOM 0 H TYR A 96 -3.942 -9.701 6.054 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.716 -10.639 3.471 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.544 -8.822 5.684 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.042 -8.229 4.112 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -5.879 -11.673 5.597 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -8.290 -8.672 3.773 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -7.868 -13.242 5.630 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -10.271 -10.251 3.808 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.990 -12.204 4.348 1.00 0.00 H new ATOM 1537 N VAL A 97 -4.274 -8.841 1.808 1.00 0.00 N ATOM 1538 CA VAL A 97 -3.772 -7.943 0.782 1.00 0.00 C ATOM 1539 C VAL A 97 -4.943 -7.439 -0.065 1.00 0.00 C ATOM 1540 O VAL A 97 -5.689 -8.234 -0.635 1.00 0.00 O ATOM 1541 CB VAL A 97 -2.694 -8.645 -0.046 1.00 0.00 C ATOM 1542 CG1 VAL A 97 -2.283 -7.791 -1.248 1.00 0.00 C ATOM 1543 CG2 VAL A 97 -1.481 -8.995 0.818 1.00 0.00 C ATOM 0 H VAL A 97 -4.921 -9.554 1.471 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.299 -7.072 1.235 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.116 -9.576 -0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.516 -8.313 -1.820 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.151 -7.614 -1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.889 -6.837 -0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.730 -9.493 0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.059 -8.083 1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.789 -9.659 1.626 1.00 0.00 H new ATOM 1553 N ILE A 98 -5.066 -6.121 -0.122 1.00 0.00 N ATOM 1554 CA ILE A 98 -6.133 -5.502 -0.890 1.00 0.00 C ATOM 1555 C ILE A 98 -5.532 -4.769 -2.091 1.00 0.00 C ATOM 1556 O ILE A 98 -4.613 -3.967 -1.937 1.00 0.00 O ATOM 1557 CB ILE A 98 -6.991 -4.609 0.009 1.00 0.00 C ATOM 1558 CG1 ILE A 98 -7.053 -5.163 1.434 1.00 0.00 C ATOM 1559 CG2 ILE A 98 -8.385 -4.407 -0.589 1.00 0.00 C ATOM 1560 CD1 ILE A 98 -7.581 -6.599 1.441 1.00 0.00 C ATOM 0 H ILE A 98 -4.445 -5.465 0.351 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.808 -6.261 -1.285 1.00 0.00 H new ATOM 0 HB ILE A 98 -6.520 -3.628 0.066 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -6.060 -5.135 1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.697 -4.532 2.046 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -8.974 -3.769 0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.296 -3.935 -1.568 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.879 -5.373 -0.695 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -7.615 -6.969 2.466 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.584 -6.620 1.014 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.921 -7.232 0.848 1.00 0.00 H new ATOM 1572 N GLU A 99 -6.075 -5.072 -3.261 1.00 0.00 N ATOM 1573 CA GLU A 99 -5.604 -4.453 -4.488 1.00 0.00 C ATOM 1574 C GLU A 99 -6.512 -3.283 -4.874 1.00 0.00 C ATOM 1575 O GLU A 99 -7.694 -3.271 -4.534 1.00 0.00 O ATOM 1576 CB GLU A 99 -5.517 -5.477 -5.621 1.00 0.00 C ATOM 1577 CG GLU A 99 -4.377 -5.135 -6.582 1.00 0.00 C ATOM 1578 CD GLU A 99 -4.110 -6.291 -7.549 1.00 0.00 C ATOM 1579 OE1 GLU A 99 -3.789 -6.055 -8.723 1.00 0.00 O ATOM 1580 OE2 GLU A 99 -4.247 -7.469 -7.042 1.00 0.00 O ATOM 0 H GLU A 99 -6.837 -5.738 -3.385 1.00 0.00 H new ATOM 0 HA GLU A 99 -4.600 -4.067 -4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.361 -6.472 -5.205 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.461 -5.503 -6.165 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.628 -4.236 -7.145 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.473 -4.914 -6.015 1.00 0.00 H new ATOM 1588 N PHE A 100 -5.924 -2.328 -5.580 1.00 0.00 N ATOM 1589 CA PHE A 100 -6.665 -1.157 -6.016 1.00 0.00 C ATOM 1590 C PHE A 100 -6.303 -0.783 -7.455 1.00 0.00 C ATOM 1591 O PHE A 100 -5.195 -1.061 -7.912 1.00 0.00 O ATOM 1592 CB PHE A 100 -6.271 -0.006 -5.088 1.00 0.00 C ATOM 1593 CG PHE A 100 -4.765 0.262 -5.036 1.00 0.00 C ATOM 1594 CD1 PHE A 100 -3.953 -0.558 -4.317 1.00 0.00 C ATOM 1595 CD2 PHE A 100 -4.240 1.321 -5.708 1.00 0.00 C ATOM 1596 CE1 PHE A 100 -2.556 -0.309 -4.268 1.00 0.00 C ATOM 1597 CE2 PHE A 100 -2.842 1.570 -5.658 1.00 0.00 C ATOM 1598 CZ PHE A 100 -2.030 0.750 -4.940 1.00 0.00 C ATOM 0 H PHE A 100 -4.943 -2.342 -5.861 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.735 -1.360 -5.980 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -6.780 0.901 -5.414 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.626 -0.226 -4.081 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -4.371 -1.399 -3.783 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -4.885 1.972 -6.279 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.911 -0.961 -3.697 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -2.424 2.411 -6.191 1.00 0.00 H new ATOM 0 HZ PHE A 100 -0.967 0.939 -4.903 1.00 0.00 H new ATOM 1608 N LYS A 101 -7.257 -0.159 -8.129 1.00 0.00 N ATOM 1609 CA LYS A 101 -7.052 0.255 -9.507 1.00 0.00 C ATOM 1610 C LYS A 101 -7.982 1.428 -9.826 1.00 0.00 C ATOM 1611 O LYS A 101 -9.099 1.496 -9.315 1.00 0.00 O ATOM 1612 CB LYS A 101 -7.216 -0.935 -10.454 1.00 0.00 C ATOM 1613 CG LYS A 101 -8.565 -0.881 -11.174 1.00 0.00 C ATOM 1614 CD LYS A 101 -8.693 -2.023 -12.184 1.00 0.00 C ATOM 1615 CE LYS A 101 -10.050 -1.981 -12.890 1.00 0.00 C ATOM 1616 NZ LYS A 101 -10.579 -3.350 -13.080 1.00 0.00 N ATOM 0 H LYS A 101 -8.174 0.070 -7.747 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.031 0.609 -9.651 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.409 -0.935 -11.186 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.137 -1.865 -9.892 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.373 -0.943 -10.445 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.670 0.076 -11.686 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.893 -1.953 -12.921 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.574 -2.979 -11.674 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.754 -1.391 -12.303 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.949 -1.487 -13.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.500 -3.303 -13.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.914 -3.902 -13.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.695 -3.809 -12.154 1.00 0.00 H new ATOM 1629 N CYS A 102 -7.487 2.322 -10.669 1.00 0.00 N ATOM 1630 CA CYS A 102 -8.259 3.488 -11.063 1.00 0.00 C ATOM 1631 C CYS A 102 -9.017 3.151 -12.348 1.00 0.00 C ATOM 1632 O CYS A 102 -8.424 2.682 -13.318 1.00 0.00 O ATOM 1633 CB CYS A 102 -7.373 4.724 -11.230 1.00 0.00 C ATOM 1634 SG CYS A 102 -8.287 6.033 -12.123 1.00 0.00 S ATOM 0 H CYS A 102 -6.560 2.262 -11.090 1.00 0.00 H new ATOM 0 HA CYS A 102 -8.972 3.737 -10.277 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -7.058 5.091 -10.253 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -6.468 4.462 -11.779 1.00 0.00 H new ATOM 0 HG CYS A 102 -7.526 7.079 -12.258 1.00 0.00 H new ATOM 1640 N LEU A 103 -10.318 3.403 -12.314 1.00 0.00 N ATOM 1641 CA LEU A 103 -11.163 3.132 -13.465 1.00 0.00 C ATOM 1642 C LEU A 103 -11.021 4.271 -14.476 1.00 0.00 C ATOM 1643 O LEU A 103 -11.228 5.436 -14.137 1.00 0.00 O ATOM 1644 CB LEU A 103 -12.605 2.878 -13.022 1.00 0.00 C ATOM 1645 CG LEU A 103 -12.779 2.054 -11.745 1.00 0.00 C ATOM 1646 CD1 LEU A 103 -14.021 2.500 -10.970 1.00 0.00 C ATOM 1647 CD2 LEU A 103 -12.806 0.556 -12.058 1.00 0.00 C ATOM 0 H LEU A 103 -10.807 3.792 -11.508 1.00 0.00 H new ATOM 0 HA LEU A 103 -10.843 2.219 -13.967 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -13.095 3.841 -12.879 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -13.129 2.371 -13.832 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.917 2.233 -11.103 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -14.122 1.898 -10.067 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -13.922 3.551 -10.697 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.905 2.369 -11.594 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -12.931 -0.007 -11.133 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -13.637 0.339 -12.729 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -11.870 0.267 -12.535 1.00 0.00 H new