USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 830 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 19 SER OG : rot 160:sc= -0.538 USER MOD Set 1.2: A 66 TYR OH : rot -73:sc= -1.02 USER MOD Set 1.3: A 70 MET CE :methyl -153:sc= -3.15 (180deg=-2.31) USER MOD Single : A 11 GLN : amide:sc= -0.0274 K(o=-0.027,f=-1.3!) USER MOD Single : A 14 GLN : amide:sc= -0.0954 K(o=-0.095,f=-1.5!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS :FLIP no HD1:sc= -0.653 F(o=-2!,f=-0.65) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -167:sc= -1.03 (180deg=-1.54) USER MOD Single : A 26 LYS NZ :NH3+ 157:sc= -0.0589 (180deg=-0.378) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 173:sc= 1.3 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 161:sc= -0.0218 (180deg=-0.229) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0338) USER MOD Single : A 53 SER OG : rot 109:sc= 0.0886 USER MOD Single : A 58 THR OG1 : rot 65:sc= 0.0443 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.511) USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN :FLIP amide:sc= -0.0613 F(o=-0.59,f=-0.061) USER MOD Single : A 74 LYS NZ :NH3+ -103:sc= -1.09 (180deg=-3.33!) USER MOD Single : A 77 LYS NZ :NH3+ -154:sc= -0.0863 (180deg=-0.483) USER MOD Single : A 78 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.29) USER MOD Single : A 79 ASN : amide:sc= 0.038 X(o=0.038,f=-0.12) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 139:sc= -5.26! (180deg=-8.25!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0268 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N ALA A 9 -8.685 16.305 2.025 1.00 0.00 N ATOM 78 CA ALA A 9 -8.011 15.255 1.271 1.00 0.00 C ATOM 79 C ALA A 9 -7.826 14.002 2.119 1.00 0.00 C ATOM 80 O ALA A 9 -8.021 12.884 1.643 1.00 0.00 O ATOM 81 CB ALA A 9 -6.667 15.752 0.760 1.00 0.00 C ATOM 0 HA ALA A 9 -8.638 14.995 0.418 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.175 14.958 0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.821 16.614 0.110 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.041 16.041 1.604 1.00 0.00 H new ATOM 87 N ASP A 10 -7.448 14.196 3.378 1.00 0.00 N ATOM 88 CA ASP A 10 -7.237 13.081 4.293 1.00 0.00 C ATOM 89 C ASP A 10 -8.227 11.954 4.015 1.00 0.00 C ATOM 90 O ASP A 10 -7.860 10.779 4.013 1.00 0.00 O ATOM 91 CB ASP A 10 -7.374 13.550 5.743 1.00 0.00 C ATOM 92 CG ASP A 10 -7.220 12.414 6.736 1.00 0.00 C ATOM 93 OD1 ASP A 10 -6.407 11.504 6.474 1.00 0.00 O ATOM 94 OD2 ASP A 10 -7.913 12.436 7.775 1.00 0.00 O ATOM 0 H ASP A 10 -7.282 15.115 3.788 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.228 12.701 4.136 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.622 14.312 5.948 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.349 14.019 5.880 1.00 0.00 H new ATOM 99 N GLN A 11 -9.483 12.321 3.780 1.00 0.00 N ATOM 100 CA GLN A 11 -10.526 11.341 3.503 1.00 0.00 C ATOM 101 C GLN A 11 -10.166 10.492 2.288 1.00 0.00 C ATOM 102 O GLN A 11 -10.179 9.263 2.352 1.00 0.00 O ATOM 103 CB GLN A 11 -11.866 12.042 3.271 1.00 0.00 C ATOM 104 CG GLN A 11 -13.070 11.137 3.480 1.00 0.00 C ATOM 105 CD GLN A 11 -14.358 11.754 2.972 1.00 0.00 C ATOM 106 OE1 GLN A 11 -14.346 12.589 2.067 1.00 0.00 O ATOM 107 NE2 GLN A 11 -15.480 11.346 3.554 1.00 0.00 N ATOM 0 H GLN A 11 -9.802 13.290 3.776 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.612 10.685 4.369 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.942 12.895 3.945 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -11.890 12.436 2.255 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -12.900 10.189 2.970 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -13.172 10.914 4.542 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -15.444 10.652 4.301 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -16.378 11.727 3.254 1.00 0.00 H new ATOM 116 N ILE A 12 -9.845 11.157 1.182 1.00 0.00 N ATOM 117 CA ILE A 12 -9.481 10.463 -0.047 1.00 0.00 C ATOM 118 C ILE A 12 -8.486 9.340 0.230 1.00 0.00 C ATOM 119 O ILE A 12 -8.685 8.202 -0.196 1.00 0.00 O ATOM 120 CB ILE A 12 -8.872 11.430 -1.080 1.00 0.00 C ATOM 121 CG1 ILE A 12 -9.873 12.533 -1.430 1.00 0.00 C ATOM 122 CG2 ILE A 12 -8.451 10.672 -2.330 1.00 0.00 C ATOM 123 CD1 ILE A 12 -9.284 13.635 -2.282 1.00 0.00 C ATOM 0 H ILE A 12 -9.830 12.175 1.113 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.399 10.040 -0.455 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.987 11.894 -0.645 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.719 12.091 -1.956 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -10.262 12.966 -0.508 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.023 11.368 -3.051 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.708 9.920 -2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.321 10.184 -2.770 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.050 14.382 -2.491 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.456 14.103 -1.750 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.921 13.215 -3.220 1.00 0.00 H new ATOM 135 N ARG A 13 -7.416 9.669 0.947 1.00 0.00 N ATOM 136 CA ARG A 13 -6.390 8.688 1.281 1.00 0.00 C ATOM 137 C ARG A 13 -6.979 7.542 2.099 1.00 0.00 C ATOM 138 O ARG A 13 -6.654 6.377 1.875 1.00 0.00 O ATOM 139 CB ARG A 13 -5.254 9.353 2.060 1.00 0.00 C ATOM 140 CG ARG A 13 -4.405 10.290 1.217 1.00 0.00 C ATOM 141 CD ARG A 13 -3.436 11.088 2.076 1.00 0.00 C ATOM 142 NE ARG A 13 -2.319 10.271 2.544 1.00 0.00 N ATOM 143 CZ ARG A 13 -2.360 9.533 3.647 1.00 0.00 C ATOM 144 NH1 ARG A 13 -3.456 9.509 4.392 1.00 0.00 N ATOM 145 NH2 ARG A 13 -1.303 8.816 4.007 1.00 0.00 N ATOM 0 H ARG A 13 -7.237 10.606 1.307 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.995 8.281 0.350 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.676 9.911 2.896 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.614 8.579 2.484 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.848 9.713 0.479 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.052 10.973 0.666 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.053 11.932 1.502 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.967 11.501 2.933 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.461 10.267 1.993 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.271 10.058 4.118 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.485 8.941 5.239 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.458 8.831 3.436 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.336 8.249 4.855 1.00 0.00 H new ATOM 159 N GLN A 14 -7.847 7.883 3.046 1.00 0.00 N ATOM 160 CA GLN A 14 -8.480 6.883 3.897 1.00 0.00 C ATOM 161 C GLN A 14 -9.167 5.810 3.058 1.00 0.00 C ATOM 162 O GLN A 14 -8.916 4.617 3.232 1.00 0.00 O ATOM 163 CB GLN A 14 -9.495 7.545 4.831 1.00 0.00 C ATOM 164 CG GLN A 14 -9.965 6.640 5.958 1.00 0.00 C ATOM 165 CD GLN A 14 -11.356 6.993 6.448 1.00 0.00 C ATOM 166 OE1 GLN A 14 -11.936 7.997 6.033 1.00 0.00 O ATOM 167 NE2 GLN A 14 -11.898 6.168 7.335 1.00 0.00 N ATOM 0 H GLN A 14 -8.128 8.844 3.243 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.703 6.408 4.496 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -9.050 8.443 5.259 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -10.359 7.864 4.248 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -9.956 5.605 5.616 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -9.263 6.707 6.789 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -11.381 5.348 7.651 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -12.832 6.354 7.701 1.00 0.00 H new ATOM 176 N SER A 15 -10.034 6.242 2.149 1.00 0.00 N ATOM 177 CA SER A 15 -10.761 5.319 1.286 1.00 0.00 C ATOM 178 C SER A 15 -9.798 4.398 0.542 1.00 0.00 C ATOM 179 O SER A 15 -10.025 3.193 0.443 1.00 0.00 O ATOM 180 CB SER A 15 -11.620 6.093 0.284 1.00 0.00 C ATOM 181 OG SER A 15 -12.603 6.869 0.948 1.00 0.00 O ATOM 0 H SER A 15 -10.250 7.226 1.991 1.00 0.00 H new ATOM 0 HA SER A 15 -11.409 4.708 1.914 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.985 6.743 -0.319 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.104 5.396 -0.400 1.00 0.00 H new ATOM 0 HG SER A 15 -13.138 7.355 0.286 1.00 0.00 H new ATOM 187 N VAL A 16 -8.720 4.977 0.021 1.00 0.00 N ATOM 188 CA VAL A 16 -7.721 4.210 -0.713 1.00 0.00 C ATOM 189 C VAL A 16 -7.330 2.947 0.046 1.00 0.00 C ATOM 190 O VAL A 16 -7.210 1.871 -0.539 1.00 0.00 O ATOM 191 CB VAL A 16 -6.456 5.047 -0.980 1.00 0.00 C ATOM 192 CG1 VAL A 16 -5.355 4.179 -1.570 1.00 0.00 C ATOM 193 CG2 VAL A 16 -6.775 6.215 -1.901 1.00 0.00 C ATOM 0 H VAL A 16 -8.517 5.974 0.094 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.173 3.933 -1.666 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.100 5.448 -0.031 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.470 4.788 -1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.108 3.379 -0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.697 3.747 -2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.870 6.796 -2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.156 5.837 -2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.528 6.851 -1.435 1.00 0.00 H new ATOM 203 N ARG A 17 -7.134 3.086 1.353 1.00 0.00 N ATOM 204 CA ARG A 17 -6.756 1.957 2.194 1.00 0.00 C ATOM 205 C ARG A 17 -7.792 0.840 2.102 1.00 0.00 C ATOM 206 O ARG A 17 -7.495 -0.260 1.634 1.00 0.00 O ATOM 207 CB ARG A 17 -6.601 2.405 3.648 1.00 0.00 C ATOM 208 CG ARG A 17 -5.512 3.446 3.852 1.00 0.00 C ATOM 209 CD ARG A 17 -4.886 3.334 5.233 1.00 0.00 C ATOM 210 NE ARG A 17 -3.813 4.306 5.428 1.00 0.00 N ATOM 211 CZ ARG A 17 -4.023 5.590 5.693 1.00 0.00 C ATOM 212 NH1 ARG A 17 -5.261 6.055 5.795 1.00 0.00 N ATOM 213 NH2 ARG A 17 -2.995 6.412 5.857 1.00 0.00 N ATOM 0 H ARG A 17 -7.231 3.970 1.853 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.800 1.574 1.836 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.550 2.811 3.997 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.380 1.535 4.266 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.742 3.322 3.091 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.932 4.443 3.721 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.654 3.484 5.992 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.493 2.327 5.372 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.849 3.980 5.357 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.054 5.426 5.670 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.420 7.042 5.999 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.042 6.058 5.780 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.158 7.398 6.061 1.00 0.00 H new ATOM 227 N HIS A 18 -9.008 1.130 2.552 1.00 0.00 N ATOM 228 CA HIS A 18 -10.089 0.151 2.521 1.00 0.00 C ATOM 229 C HIS A 18 -10.156 -0.541 1.163 1.00 0.00 C ATOM 230 O HIS A 18 -10.186 -1.769 1.081 1.00 0.00 O ATOM 231 CB HIS A 18 -11.426 0.825 2.830 1.00 0.00 C ATOM 232 CG HIS A 18 -12.593 -0.113 2.790 1.00 0.00 C ATOM 233 ND1 HIS A 18 -12.997 -0.984 1.836 1.00 0.00 N flip ATOM 234 CD2 HIS A 18 -13.502 -0.226 3.820 1.00 0.00 C flip ATOM 235 CE1 HIS A 18 -14.131 -1.601 2.303 1.00 0.00 C flip ATOM 236 NE2 HIS A 18 -14.415 -1.127 3.502 1.00 0.00 N flip ATOM 0 H HIS A 18 -9.270 2.035 2.943 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.886 -0.601 3.283 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.373 1.284 3.817 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.592 1.629 2.113 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.473 0.334 4.743 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -14.699 -2.353 1.775 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -15.204 -1.408 4.084 1.00 0.00 H new ATOM 245 N SER A 19 -10.180 0.256 0.099 1.00 0.00 N ATOM 246 CA SER A 19 -10.249 -0.279 -1.256 1.00 0.00 C ATOM 247 C SER A 19 -9.182 -1.348 -1.472 1.00 0.00 C ATOM 248 O SER A 19 -9.485 -2.473 -1.871 1.00 0.00 O ATOM 249 CB SER A 19 -10.077 0.844 -2.280 1.00 0.00 C ATOM 250 OG SER A 19 -10.760 0.544 -3.485 1.00 0.00 O ATOM 0 H SER A 19 -10.153 1.274 0.149 1.00 0.00 H new ATOM 0 HA SER A 19 -11.229 -0.736 -1.391 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.456 1.779 -1.867 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.017 0.993 -2.486 1.00 0.00 H new ATOM 0 HG SER A 19 -10.913 1.370 -3.989 1.00 0.00 H new ATOM 256 N LEU A 20 -7.931 -0.988 -1.206 1.00 0.00 N ATOM 257 CA LEU A 20 -6.817 -1.916 -1.371 1.00 0.00 C ATOM 258 C LEU A 20 -7.029 -3.176 -0.538 1.00 0.00 C ATOM 259 O LEU A 20 -6.933 -4.293 -1.046 1.00 0.00 O ATOM 260 CB LEU A 20 -5.503 -1.241 -0.970 1.00 0.00 C ATOM 261 CG LEU A 20 -5.075 -0.047 -1.823 1.00 0.00 C ATOM 262 CD1 LEU A 20 -4.063 0.808 -1.075 1.00 0.00 C ATOM 263 CD2 LEU A 20 -4.499 -0.518 -3.151 1.00 0.00 C ATOM 0 H LEU A 20 -7.663 -0.061 -0.875 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.767 -2.202 -2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.589 -0.911 0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.710 -1.988 -1.002 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.955 0.562 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.770 1.653 -1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.509 1.176 -0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.184 0.209 -0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.200 0.346 -3.745 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.630 -1.150 -2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.254 -1.087 -3.694 1.00 0.00 H new ATOM 275 N LYS A 21 -7.320 -2.989 0.745 1.00 0.00 N ATOM 276 CA LYS A 21 -7.550 -4.109 1.649 1.00 0.00 C ATOM 277 C LYS A 21 -8.736 -4.948 1.185 1.00 0.00 C ATOM 278 O LYS A 21 -8.780 -6.158 1.412 1.00 0.00 O ATOM 279 CB LYS A 21 -7.796 -3.601 3.072 1.00 0.00 C ATOM 280 CG LYS A 21 -7.702 -4.687 4.130 1.00 0.00 C ATOM 281 CD LYS A 21 -7.646 -4.097 5.530 1.00 0.00 C ATOM 282 CE LYS A 21 -9.027 -3.684 6.016 1.00 0.00 C ATOM 283 NZ LYS A 21 -8.967 -2.990 7.332 1.00 0.00 N ATOM 0 H LYS A 21 -7.402 -2.071 1.182 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.659 -4.737 1.643 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.071 -2.819 3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.784 -3.143 3.120 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.562 -5.352 4.048 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.813 -5.293 3.953 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.221 -4.828 6.217 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.983 -3.232 5.535 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.490 -3.027 5.280 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.662 -4.566 6.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.928 -2.725 7.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.549 -3.626 8.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.382 -2.134 7.247 1.00 0.00 H new ATOM 297 N ASP A 22 -9.695 -4.299 0.534 1.00 0.00 N ATOM 298 CA ASP A 22 -10.881 -4.987 0.036 1.00 0.00 C ATOM 299 C ASP A 22 -10.503 -6.039 -1.002 1.00 0.00 C ATOM 300 O ASP A 22 -11.037 -7.149 -0.997 1.00 0.00 O ATOM 301 CB ASP A 22 -11.861 -3.982 -0.573 1.00 0.00 C ATOM 302 CG ASP A 22 -13.303 -4.433 -0.450 1.00 0.00 C ATOM 303 OD1 ASP A 22 -13.606 -5.206 0.483 1.00 0.00 O ATOM 304 OD2 ASP A 22 -14.129 -4.013 -1.287 1.00 0.00 O ATOM 0 H ASP A 22 -9.675 -3.298 0.339 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.361 -5.488 0.877 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.742 -3.018 -0.079 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.618 -3.834 -1.625 1.00 0.00 H new ATOM 309 N ILE A 23 -9.581 -5.683 -1.890 1.00 0.00 N ATOM 310 CA ILE A 23 -9.132 -6.597 -2.933 1.00 0.00 C ATOM 311 C ILE A 23 -8.281 -7.720 -2.351 1.00 0.00 C ATOM 312 O ILE A 23 -8.635 -8.896 -2.446 1.00 0.00 O ATOM 313 CB ILE A 23 -8.321 -5.861 -4.015 1.00 0.00 C ATOM 314 CG1 ILE A 23 -9.249 -5.032 -4.904 1.00 0.00 C ATOM 315 CG2 ILE A 23 -7.528 -6.855 -4.850 1.00 0.00 C ATOM 316 CD1 ILE A 23 -8.516 -4.073 -5.816 1.00 0.00 C ATOM 0 H ILE A 23 -9.130 -4.768 -1.908 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.027 -7.021 -3.387 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.619 -5.186 -3.525 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.855 -5.705 -5.510 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.935 -4.467 -4.272 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.960 -6.320 -5.611 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.843 -7.406 -4.206 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.213 -7.553 -5.333 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.237 -3.519 -6.417 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.931 -3.375 -5.216 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.850 -4.633 -6.473 1.00 0.00 H new ATOM 328 N LEU A 24 -7.157 -7.351 -1.746 1.00 0.00 N ATOM 329 CA LEU A 24 -6.255 -8.327 -1.145 1.00 0.00 C ATOM 330 C LEU A 24 -7.010 -9.260 -0.205 1.00 0.00 C ATOM 331 O LEU A 24 -6.516 -10.329 0.154 1.00 0.00 O ATOM 332 CB LEU A 24 -5.135 -7.615 -0.385 1.00 0.00 C ATOM 333 CG LEU A 24 -4.306 -6.614 -1.192 1.00 0.00 C ATOM 334 CD1 LEU A 24 -3.568 -5.662 -0.264 1.00 0.00 C ATOM 335 CD2 LEU A 24 -3.327 -7.343 -2.101 1.00 0.00 C ATOM 0 H LEU A 24 -6.849 -6.383 -1.659 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.819 -8.924 -1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.575 -7.091 0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.462 -8.370 0.021 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.983 -6.029 -1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.984 -4.957 -0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.289 -5.115 0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.902 -6.230 0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.746 -6.616 -2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.655 -7.953 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.878 -7.983 -2.790 1.00 0.00 H new ATOM 347 N MET A 25 -8.211 -8.849 0.189 1.00 0.00 N ATOM 348 CA MET A 25 -9.036 -9.651 1.086 1.00 0.00 C ATOM 349 C MET A 25 -9.718 -10.785 0.328 1.00 0.00 C ATOM 350 O MET A 25 -9.605 -11.953 0.703 1.00 0.00 O ATOM 351 CB MET A 25 -10.087 -8.773 1.768 1.00 0.00 C ATOM 352 CG MET A 25 -9.592 -8.112 3.044 1.00 0.00 C ATOM 353 SD MET A 25 -9.788 -9.167 4.493 1.00 0.00 S ATOM 354 CE MET A 25 -8.104 -9.227 5.099 1.00 0.00 C ATOM 0 H MET A 25 -8.634 -7.967 -0.098 1.00 0.00 H new ATOM 0 HA MET A 25 -8.387 -10.085 1.846 1.00 0.00 H new ATOM 0 HB2 MET A 25 -10.411 -8.001 1.071 1.00 0.00 H new ATOM 0 HB3 MET A 25 -10.962 -9.381 1.999 1.00 0.00 H new ATOM 0 HG2 MET A 25 -8.540 -7.851 2.929 1.00 0.00 H new ATOM 0 HG3 MET A 25 -10.136 -7.181 3.201 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.014 -10.016 5.846 1.00 0.00 H new ATOM 0 HE2 MET A 25 -7.426 -9.432 4.270 1.00 0.00 H new ATOM 0 HE3 MET A 25 -7.845 -8.269 5.550 1.00 0.00 H new ATOM 364 N LYS A 26 -10.428 -10.435 -0.739 1.00 0.00 N ATOM 365 CA LYS A 26 -11.128 -11.424 -1.551 1.00 0.00 C ATOM 366 C LYS A 26 -10.146 -12.226 -2.398 1.00 0.00 C ATOM 367 O LYS A 26 -10.480 -13.298 -2.904 1.00 0.00 O ATOM 368 CB LYS A 26 -12.155 -10.737 -2.454 1.00 0.00 C ATOM 369 CG LYS A 26 -11.533 -9.968 -3.607 1.00 0.00 C ATOM 370 CD LYS A 26 -11.343 -10.851 -4.829 1.00 0.00 C ATOM 371 CE LYS A 26 -12.580 -10.850 -5.714 1.00 0.00 C ATOM 372 NZ LYS A 26 -12.791 -9.531 -6.371 1.00 0.00 N ATOM 0 H LYS A 26 -10.534 -9.473 -1.062 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.645 -12.110 -0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.835 -11.489 -2.855 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.755 -10.053 -1.853 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.168 -9.120 -3.865 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.570 -9.562 -3.297 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.484 -10.502 -5.402 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.122 -11.870 -4.512 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.482 -11.624 -6.476 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.455 -11.101 -5.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.367 -9.658 -7.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.283 -8.891 -5.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.871 -9.121 -6.630 1.00 0.00 H new ATOM 386 N ARG A 27 -8.934 -11.702 -2.547 1.00 0.00 N ATOM 387 CA ARG A 27 -7.904 -12.370 -3.333 1.00 0.00 C ATOM 388 C ARG A 27 -7.143 -13.383 -2.482 1.00 0.00 C ATOM 389 O ARG A 27 -6.700 -14.420 -2.979 1.00 0.00 O ATOM 390 CB ARG A 27 -6.931 -11.344 -3.916 1.00 0.00 C ATOM 391 CG ARG A 27 -7.580 -10.372 -4.887 1.00 0.00 C ATOM 392 CD ARG A 27 -8.065 -11.080 -6.143 1.00 0.00 C ATOM 393 NE ARG A 27 -6.958 -11.618 -6.930 1.00 0.00 N ATOM 394 CZ ARG A 27 -7.109 -12.171 -8.128 1.00 0.00 C ATOM 395 NH1 ARG A 27 -8.314 -12.258 -8.675 1.00 0.00 N ATOM 396 NH2 ARG A 27 -6.053 -12.639 -8.782 1.00 0.00 N ATOM 0 H ARG A 27 -8.641 -10.817 -2.134 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.393 -12.901 -4.150 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.478 -10.781 -3.100 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.124 -11.870 -4.427 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.420 -9.876 -4.400 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.865 -9.595 -5.159 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.739 -11.890 -5.865 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.639 -10.383 -6.754 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.018 -11.566 -6.538 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.128 -11.900 -8.175 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.427 -12.683 -9.595 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.125 -12.574 -8.365 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.170 -13.064 -9.702 1.00 0.00 H new ATOM 410 N LEU A 28 -6.993 -13.076 -1.199 1.00 0.00 N ATOM 411 CA LEU A 28 -6.285 -13.958 -0.278 1.00 0.00 C ATOM 412 C LEU A 28 -7.206 -15.059 0.238 1.00 0.00 C ATOM 413 O LEU A 28 -6.808 -16.220 0.341 1.00 0.00 O ATOM 414 CB LEU A 28 -5.722 -13.157 0.896 1.00 0.00 C ATOM 415 CG LEU A 28 -6.687 -12.890 2.052 1.00 0.00 C ATOM 416 CD1 LEU A 28 -6.856 -14.138 2.905 1.00 0.00 C ATOM 417 CD2 LEU A 28 -6.197 -11.725 2.899 1.00 0.00 C ATOM 0 H LEU A 28 -7.352 -12.222 -0.772 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.462 -14.423 -0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.854 -13.687 1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.366 -12.199 0.518 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.659 -12.625 1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.546 -13.929 3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.254 -14.947 2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.889 -14.434 3.313 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.896 -11.550 3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.214 -11.960 3.307 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.129 -10.829 2.281 1.00 0.00 H new ATOM 429 N THR A 29 -8.441 -14.688 0.560 1.00 0.00 N ATOM 430 CA THR A 29 -9.420 -15.643 1.064 1.00 0.00 C ATOM 431 C THR A 29 -9.653 -16.770 0.065 1.00 0.00 C ATOM 432 O THR A 29 -9.844 -17.924 0.449 1.00 0.00 O ATOM 433 CB THR A 29 -10.765 -14.959 1.373 1.00 0.00 C ATOM 434 OG1 THR A 29 -11.503 -15.735 2.323 1.00 0.00 O ATOM 435 CG2 THR A 29 -11.588 -14.786 0.105 1.00 0.00 C ATOM 0 H THR A 29 -8.787 -13.732 0.481 1.00 0.00 H new ATOM 0 HA THR A 29 -9.012 -16.057 1.986 1.00 0.00 H new ATOM 0 HB THR A 29 -10.558 -13.974 1.791 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.356 -15.292 2.515 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.533 -14.301 0.348 1.00 0.00 H new ATOM 0 HG22 THR A 29 -11.036 -14.170 -0.606 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.785 -15.763 -0.337 1.00 0.00 H new ATOM 443 N ASP A 30 -9.636 -16.429 -1.219 1.00 0.00 N ATOM 444 CA ASP A 30 -9.844 -17.414 -2.275 1.00 0.00 C ATOM 445 C ASP A 30 -8.536 -18.112 -2.632 1.00 0.00 C ATOM 446 O ASP A 30 -8.523 -19.068 -3.408 1.00 0.00 O ATOM 447 CB ASP A 30 -10.435 -16.744 -3.516 1.00 0.00 C ATOM 448 CG ASP A 30 -11.028 -17.746 -4.488 1.00 0.00 C ATOM 449 OD1 ASP A 30 -12.078 -18.338 -4.162 1.00 0.00 O ATOM 450 OD2 ASP A 30 -10.440 -17.940 -5.573 1.00 0.00 O ATOM 0 H ASP A 30 -9.480 -15.478 -1.554 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.545 -18.163 -1.907 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.207 -16.037 -3.211 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.658 -16.169 -4.020 1.00 0.00 H new ATOM 455 N SER A 31 -7.438 -17.627 -2.062 1.00 0.00 N ATOM 456 CA SER A 31 -6.123 -18.202 -2.324 1.00 0.00 C ATOM 457 C SER A 31 -5.667 -19.071 -1.157 1.00 0.00 C ATOM 458 O SER A 31 -4.475 -19.171 -0.872 1.00 0.00 O ATOM 459 CB SER A 31 -5.100 -17.093 -2.579 1.00 0.00 C ATOM 460 OG SER A 31 -5.276 -16.522 -3.864 1.00 0.00 O ATOM 0 H SER A 31 -7.432 -16.838 -1.416 1.00 0.00 H new ATOM 0 HA SER A 31 -6.199 -18.829 -3.213 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.200 -16.320 -1.817 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.091 -17.497 -2.492 1.00 0.00 H new ATOM 0 HG SER A 31 -4.686 -15.746 -3.961 1.00 0.00 H new ATOM 466 N ASN A 32 -6.627 -19.698 -0.484 1.00 0.00 N ATOM 467 CA ASN A 32 -6.326 -20.560 0.653 1.00 0.00 C ATOM 468 C ASN A 32 -5.211 -19.963 1.507 1.00 0.00 C ATOM 469 O ASN A 32 -4.480 -20.685 2.186 1.00 0.00 O ATOM 470 CB ASN A 32 -5.923 -21.955 0.171 1.00 0.00 C ATOM 471 CG ASN A 32 -7.071 -22.692 -0.491 1.00 0.00 C ATOM 472 OD1 ASN A 32 -7.957 -23.217 0.183 1.00 0.00 O ATOM 473 ND2 ASN A 32 -7.060 -22.734 -1.818 1.00 0.00 N ATOM 0 H ASN A 32 -7.620 -19.625 -0.707 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.225 -20.641 1.264 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -5.096 -21.868 -0.534 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -5.560 -22.538 1.017 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.806 -23.216 -2.319 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -6.305 -22.285 -2.336 1.00 0.00 H new ATOM 480 N LEU A 33 -5.089 -18.641 1.470 1.00 0.00 N ATOM 481 CA LEU A 33 -4.064 -17.945 2.241 1.00 0.00 C ATOM 482 C LEU A 33 -4.430 -17.904 3.721 1.00 0.00 C ATOM 483 O LEU A 33 -5.401 -17.258 4.114 1.00 0.00 O ATOM 484 CB LEU A 33 -3.876 -16.523 1.711 1.00 0.00 C ATOM 485 CG LEU A 33 -2.851 -16.355 0.588 1.00 0.00 C ATOM 486 CD1 LEU A 33 -2.767 -14.899 0.157 1.00 0.00 C ATOM 487 CD2 LEU A 33 -1.487 -16.862 1.031 1.00 0.00 C ATOM 0 H LEU A 33 -5.687 -18.029 0.915 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.128 -18.493 2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.839 -16.160 1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.582 -15.883 2.543 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.176 -16.948 -0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.033 -14.798 -0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.742 -14.569 -0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.466 -14.285 1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.770 -16.735 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.154 -16.297 1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.558 -17.918 1.290 1.00 0.00 H new ATOM 499 N LYS A 34 -3.645 -18.597 4.539 1.00 0.00 N ATOM 500 CA LYS A 34 -3.883 -18.638 5.977 1.00 0.00 C ATOM 501 C LYS A 34 -3.207 -17.462 6.674 1.00 0.00 C ATOM 502 O LYS A 34 -2.671 -17.604 7.773 1.00 0.00 O ATOM 503 CB LYS A 34 -3.370 -19.955 6.562 1.00 0.00 C ATOM 504 CG LYS A 34 -4.188 -21.166 6.145 1.00 0.00 C ATOM 505 CD LYS A 34 -5.589 -21.120 6.730 1.00 0.00 C ATOM 506 CE LYS A 34 -6.219 -22.504 6.778 1.00 0.00 C ATOM 507 NZ LYS A 34 -5.573 -23.371 7.802 1.00 0.00 N ATOM 0 H LYS A 34 -2.838 -19.138 4.230 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.958 -18.568 6.144 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.335 -20.102 6.252 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.370 -19.884 7.650 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.248 -21.209 5.057 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.686 -22.076 6.473 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.551 -20.701 7.736 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.213 -20.456 6.132 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.282 -22.412 6.999 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.136 -22.975 5.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.206 -24.163 8.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.677 -23.743 7.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.385 -22.814 8.660 1.00 0.00 H new ATOM 521 N VAL A 35 -3.236 -16.300 6.028 1.00 0.00 N ATOM 522 CA VAL A 35 -2.627 -15.099 6.587 1.00 0.00 C ATOM 523 C VAL A 35 -3.632 -14.313 7.422 1.00 0.00 C ATOM 524 O VAL A 35 -4.835 -14.321 7.161 1.00 0.00 O ATOM 525 CB VAL A 35 -2.069 -14.185 5.480 1.00 0.00 C ATOM 526 CG1 VAL A 35 -1.206 -14.982 4.514 1.00 0.00 C ATOM 527 CG2 VAL A 35 -3.203 -13.487 4.744 1.00 0.00 C ATOM 0 H VAL A 35 -3.675 -16.165 5.117 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.806 -15.427 7.224 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.443 -13.422 5.943 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.821 -14.320 3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.373 -15.430 5.055 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.805 -15.768 4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.791 -12.845 3.965 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.856 -14.233 4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.775 -12.882 5.447 1.00 0.00 H new ATOM 537 N PRO A 36 -3.128 -13.616 8.452 1.00 0.00 N ATOM 538 CA PRO A 36 -3.964 -12.809 9.346 1.00 0.00 C ATOM 539 C PRO A 36 -4.525 -11.571 8.655 1.00 0.00 C ATOM 540 O PRO A 36 -3.857 -10.956 7.826 1.00 0.00 O ATOM 541 CB PRO A 36 -3.000 -12.406 10.465 1.00 0.00 C ATOM 542 CG PRO A 36 -1.650 -12.453 9.837 1.00 0.00 C ATOM 543 CD PRO A 36 -1.704 -13.561 8.821 1.00 0.00 C ATOM 0 HA PRO A 36 -4.838 -13.360 9.695 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.226 -11.409 10.843 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.067 -13.090 11.311 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.406 -11.502 9.364 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.879 -12.645 10.583 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.073 -13.346 7.958 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.360 -14.507 9.239 1.00 0.00 H new ATOM 551 N GLU A 37 -5.757 -11.212 9.004 1.00 0.00 N ATOM 552 CA GLU A 37 -6.408 -10.047 8.416 1.00 0.00 C ATOM 553 C GLU A 37 -5.477 -8.838 8.433 1.00 0.00 C ATOM 554 O GLU A 37 -5.493 -8.017 7.517 1.00 0.00 O ATOM 555 CB GLU A 37 -7.699 -9.722 9.169 1.00 0.00 C ATOM 556 CG GLU A 37 -8.332 -8.405 8.751 1.00 0.00 C ATOM 557 CD GLU A 37 -9.805 -8.329 9.104 1.00 0.00 C ATOM 558 OE1 GLU A 37 -10.125 -8.304 10.311 1.00 0.00 O ATOM 559 OE2 GLU A 37 -10.637 -8.293 8.174 1.00 0.00 O ATOM 0 H GLU A 37 -6.323 -11.711 9.690 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.651 -10.282 7.380 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.416 -10.527 9.008 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.488 -9.691 10.238 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.804 -7.583 9.233 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.212 -8.274 7.676 1.00 0.00 H new ATOM 566 N GLU A 38 -4.668 -8.736 9.483 1.00 0.00 N ATOM 567 CA GLU A 38 -3.732 -7.627 9.621 1.00 0.00 C ATOM 568 C GLU A 38 -2.808 -7.541 8.409 1.00 0.00 C ATOM 569 O GLU A 38 -2.533 -6.455 7.899 1.00 0.00 O ATOM 570 CB GLU A 38 -2.903 -7.785 10.897 1.00 0.00 C ATOM 571 CG GLU A 38 -2.441 -6.464 11.490 1.00 0.00 C ATOM 572 CD GLU A 38 -2.175 -6.555 12.980 1.00 0.00 C ATOM 573 OE1 GLU A 38 -1.418 -7.457 13.395 1.00 0.00 O ATOM 574 OE2 GLU A 38 -2.725 -5.723 13.732 1.00 0.00 O ATOM 0 H GLU A 38 -4.642 -9.408 10.250 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.309 -6.704 9.683 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.494 -8.320 11.640 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.030 -8.401 10.679 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.533 -6.140 10.982 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.199 -5.702 11.306 1.00 0.00 H new ATOM 581 N LYS A 39 -2.331 -8.695 7.954 1.00 0.00 N ATOM 582 CA LYS A 39 -1.438 -8.753 6.802 1.00 0.00 C ATOM 583 C LYS A 39 -1.882 -7.774 5.720 1.00 0.00 C ATOM 584 O LYS A 39 -1.204 -6.783 5.451 1.00 0.00 O ATOM 585 CB LYS A 39 -1.397 -10.173 6.234 1.00 0.00 C ATOM 586 CG LYS A 39 -0.799 -10.254 4.840 1.00 0.00 C ATOM 587 CD LYS A 39 0.712 -10.099 4.872 1.00 0.00 C ATOM 588 CE LYS A 39 1.126 -8.642 4.735 1.00 0.00 C ATOM 589 NZ LYS A 39 2.596 -8.465 4.895 1.00 0.00 N ATOM 0 H LYS A 39 -2.548 -9.603 8.365 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.438 -8.472 7.134 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.819 -10.807 6.906 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.410 -10.575 6.210 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.058 -11.211 4.387 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.232 -9.476 4.211 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.100 -10.502 5.807 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.156 -10.682 4.065 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.819 -8.268 3.758 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.605 -8.045 5.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.837 -7.458 4.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.885 -8.798 5.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.093 -9.015 4.165 1.00 0.00 H new ATOM 603 N ALA A 40 -3.025 -8.058 5.104 1.00 0.00 N ATOM 604 CA ALA A 40 -3.560 -7.200 4.054 1.00 0.00 C ATOM 605 C ALA A 40 -3.565 -5.738 4.488 1.00 0.00 C ATOM 606 O ALA A 40 -2.995 -4.880 3.815 1.00 0.00 O ATOM 607 CB ALA A 40 -4.965 -7.644 3.675 1.00 0.00 C ATOM 0 H ALA A 40 -3.598 -8.875 5.314 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.914 -7.290 3.181 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.352 -6.995 2.890 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.937 -8.672 3.314 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.614 -7.584 4.549 1.00 0.00 H new ATOM 613 N ALA A 41 -4.211 -5.463 5.616 1.00 0.00 N ATOM 614 CA ALA A 41 -4.288 -4.105 6.140 1.00 0.00 C ATOM 615 C ALA A 41 -2.920 -3.431 6.122 1.00 0.00 C ATOM 616 O ALA A 41 -2.692 -2.485 5.367 1.00 0.00 O ATOM 617 CB ALA A 41 -4.855 -4.115 7.552 1.00 0.00 C ATOM 0 H ALA A 41 -4.689 -6.162 6.185 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.955 -3.531 5.497 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.907 -3.094 7.931 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.855 -4.548 7.539 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.210 -4.710 8.199 1.00 0.00 H new ATOM 623 N LYS A 42 -2.012 -3.923 6.958 1.00 0.00 N ATOM 624 CA LYS A 42 -0.666 -3.369 7.038 1.00 0.00 C ATOM 625 C LYS A 42 -0.164 -2.956 5.659 1.00 0.00 C ATOM 626 O LYS A 42 0.227 -1.808 5.447 1.00 0.00 O ATOM 627 CB LYS A 42 0.292 -4.390 7.656 1.00 0.00 C ATOM 628 CG LYS A 42 0.070 -4.611 9.142 1.00 0.00 C ATOM 629 CD LYS A 42 0.922 -5.753 9.670 1.00 0.00 C ATOM 630 CE LYS A 42 1.279 -5.551 11.135 1.00 0.00 C ATOM 631 NZ LYS A 42 2.443 -6.386 11.543 1.00 0.00 N ATOM 0 H LYS A 42 -2.184 -4.705 7.590 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.702 -2.483 7.672 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.181 -5.341 7.135 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.317 -4.057 7.496 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.308 -3.697 9.686 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.983 -4.826 9.325 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.385 -6.694 9.552 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.835 -5.831 9.079 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.507 -4.500 11.312 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.418 -5.800 11.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.654 -6.220 12.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.217 -7.391 11.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.271 -6.131 10.968 1.00 0.00 H new ATOM 645 N VAL A 43 -0.180 -3.898 4.721 1.00 0.00 N ATOM 646 CA VAL A 43 0.271 -3.631 3.361 1.00 0.00 C ATOM 647 C VAL A 43 -0.359 -2.355 2.814 1.00 0.00 C ATOM 648 O VAL A 43 0.339 -1.461 2.338 1.00 0.00 O ATOM 649 CB VAL A 43 -0.066 -4.802 2.418 1.00 0.00 C ATOM 650 CG1 VAL A 43 0.110 -4.386 0.966 1.00 0.00 C ATOM 651 CG2 VAL A 43 0.798 -6.012 2.742 1.00 0.00 C ATOM 0 H VAL A 43 -0.501 -4.853 4.879 1.00 0.00 H new ATOM 0 HA VAL A 43 1.353 -3.509 3.404 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.110 -5.078 2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.132 -5.226 0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.554 -3.551 0.744 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.143 -4.083 0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.547 -6.830 2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.849 -5.751 2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.617 -6.323 3.771 1.00 0.00 H new ATOM 661 N ALA A 44 -1.684 -2.278 2.885 1.00 0.00 N ATOM 662 CA ALA A 44 -2.408 -1.111 2.399 1.00 0.00 C ATOM 663 C ALA A 44 -1.952 0.156 3.115 1.00 0.00 C ATOM 664 O ALA A 44 -1.610 1.153 2.479 1.00 0.00 O ATOM 665 CB ALA A 44 -3.907 -1.308 2.576 1.00 0.00 C ATOM 0 H ALA A 44 -2.277 -3.010 3.275 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.190 -0.996 1.337 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.435 -0.428 2.209 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.228 -2.185 2.014 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.133 -1.452 3.633 1.00 0.00 H new ATOM 671 N THR A 45 -1.950 0.111 4.444 1.00 0.00 N ATOM 672 CA THR A 45 -1.537 1.255 5.247 1.00 0.00 C ATOM 673 C THR A 45 -0.191 1.797 4.781 1.00 0.00 C ATOM 674 O THR A 45 0.117 2.973 4.974 1.00 0.00 O ATOM 675 CB THR A 45 -1.442 0.888 6.740 1.00 0.00 C ATOM 676 OG1 THR A 45 -2.744 0.591 7.256 1.00 0.00 O ATOM 677 CG2 THR A 45 -0.822 2.026 7.538 1.00 0.00 C ATOM 0 H THR A 45 -2.230 -0.706 4.987 1.00 0.00 H new ATOM 0 HA THR A 45 -2.299 2.024 5.117 1.00 0.00 H new ATOM 0 HB THR A 45 -0.805 0.009 6.835 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.674 0.357 8.205 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.765 1.744 8.589 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.181 2.230 7.162 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.437 2.920 7.435 1.00 0.00 H new ATOM 685 N LYS A 46 0.609 0.932 4.166 1.00 0.00 N ATOM 686 CA LYS A 46 1.923 1.324 3.669 1.00 0.00 C ATOM 687 C LYS A 46 1.819 1.930 2.273 1.00 0.00 C ATOM 688 O LYS A 46 2.421 2.965 1.990 1.00 0.00 O ATOM 689 CB LYS A 46 2.862 0.116 3.644 1.00 0.00 C ATOM 690 CG LYS A 46 3.126 -0.478 5.017 1.00 0.00 C ATOM 691 CD LYS A 46 4.503 -1.116 5.093 1.00 0.00 C ATOM 692 CE LYS A 46 5.010 -1.180 6.525 1.00 0.00 C ATOM 693 NZ LYS A 46 5.989 -2.285 6.718 1.00 0.00 N ATOM 0 H LYS A 46 0.370 -0.046 4.000 1.00 0.00 H new ATOM 0 HA LYS A 46 2.329 2.078 4.343 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.434 -0.653 3.001 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.811 0.413 3.197 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.043 0.302 5.774 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.365 -1.225 5.244 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.462 -2.122 4.675 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.204 -0.545 4.483 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.477 -0.231 6.788 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.168 -1.319 7.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.311 -2.295 7.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.536 -3.194 6.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.805 -2.139 6.090 1.00 0.00 H new ATOM 707 N ILE A 47 1.050 1.279 1.407 1.00 0.00 N ATOM 708 CA ILE A 47 0.866 1.755 0.042 1.00 0.00 C ATOM 709 C ILE A 47 0.794 3.278 -0.004 1.00 0.00 C ATOM 710 O ILE A 47 1.606 3.927 -0.663 1.00 0.00 O ATOM 711 CB ILE A 47 -0.413 1.174 -0.590 1.00 0.00 C ATOM 712 CG1 ILE A 47 -0.338 -0.354 -0.629 1.00 0.00 C ATOM 713 CG2 ILE A 47 -0.615 1.736 -1.989 1.00 0.00 C ATOM 714 CD1 ILE A 47 0.930 -0.882 -1.263 1.00 0.00 C ATOM 0 H ILE A 47 0.544 0.421 1.626 1.00 0.00 H new ATOM 0 HA ILE A 47 1.730 1.416 -0.529 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.267 1.462 0.022 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.414 -0.739 0.388 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.197 -0.738 -1.180 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.523 1.316 -2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.707 2.821 -1.936 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.240 1.474 -2.613 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.914 -1.972 -1.256 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.998 -0.527 -2.291 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.793 -0.528 -0.699 1.00 0.00 H new ATOM 726 N GLU A 48 -0.181 3.841 0.703 1.00 0.00 N ATOM 727 CA GLU A 48 -0.357 5.288 0.743 1.00 0.00 C ATOM 728 C GLU A 48 0.845 5.964 1.396 1.00 0.00 C ATOM 729 O GLU A 48 1.470 6.847 0.809 1.00 0.00 O ATOM 730 CB GLU A 48 -1.634 5.647 1.505 1.00 0.00 C ATOM 731 CG GLU A 48 -2.906 5.178 0.817 1.00 0.00 C ATOM 732 CD GLU A 48 -2.900 3.689 0.534 1.00 0.00 C ATOM 733 OE1 GLU A 48 -2.430 3.293 -0.553 1.00 0.00 O ATOM 734 OE2 GLU A 48 -3.367 2.919 1.400 1.00 0.00 O ATOM 0 H GLU A 48 -0.860 3.318 1.255 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.441 5.647 -0.283 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.587 5.209 2.502 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.678 6.728 1.634 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.764 5.422 1.443 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.030 5.722 -0.120 1.00 0.00 H new ATOM 741 N LYS A 49 1.162 5.544 2.616 1.00 0.00 N ATOM 742 CA LYS A 49 2.289 6.106 3.351 1.00 0.00 C ATOM 743 C LYS A 49 3.449 6.420 2.411 1.00 0.00 C ATOM 744 O LYS A 49 4.169 7.399 2.605 1.00 0.00 O ATOM 745 CB LYS A 49 2.749 5.136 4.441 1.00 0.00 C ATOM 746 CG LYS A 49 3.780 5.728 5.386 1.00 0.00 C ATOM 747 CD LYS A 49 4.051 4.807 6.564 1.00 0.00 C ATOM 748 CE LYS A 49 4.901 5.491 7.623 1.00 0.00 C ATOM 749 NZ LYS A 49 6.245 5.863 7.101 1.00 0.00 N ATOM 0 H LYS A 49 0.654 4.815 3.117 1.00 0.00 H new ATOM 0 HA LYS A 49 1.960 7.035 3.817 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.882 4.814 5.018 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.168 4.246 3.971 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.708 5.911 4.845 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.429 6.693 5.751 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.106 4.490 7.004 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.558 3.907 6.215 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.389 6.386 7.978 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.015 4.828 8.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.817 6.265 7.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.717 5.017 6.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.140 6.568 6.343 1.00 0.00 H new ATOM 763 N GLU A 50 3.623 5.583 1.393 1.00 0.00 N ATOM 764 CA GLU A 50 4.696 5.772 0.424 1.00 0.00 C ATOM 765 C GLU A 50 4.197 6.539 -0.797 1.00 0.00 C ATOM 766 O GLU A 50 4.914 7.366 -1.361 1.00 0.00 O ATOM 767 CB GLU A 50 5.268 4.420 -0.008 1.00 0.00 C ATOM 768 CG GLU A 50 6.599 4.526 -0.734 1.00 0.00 C ATOM 769 CD GLU A 50 7.725 4.981 0.174 1.00 0.00 C ATOM 770 OE1 GLU A 50 7.931 6.207 0.294 1.00 0.00 O ATOM 771 OE2 GLU A 50 8.400 4.111 0.763 1.00 0.00 O ATOM 0 H GLU A 50 3.035 4.768 1.218 1.00 0.00 H new ATOM 0 HA GLU A 50 5.483 6.355 0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.393 3.790 0.873 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.548 3.921 -0.657 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.853 3.557 -1.163 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.501 5.226 -1.564 1.00 0.00 H new ATOM 778 N LEU A 51 2.963 6.258 -1.201 1.00 0.00 N ATOM 779 CA LEU A 51 2.366 6.919 -2.356 1.00 0.00 C ATOM 780 C LEU A 51 2.198 8.414 -2.100 1.00 0.00 C ATOM 781 O LEU A 51 2.744 9.244 -2.827 1.00 0.00 O ATOM 782 CB LEU A 51 1.011 6.291 -2.685 1.00 0.00 C ATOM 783 CG LEU A 51 0.594 6.325 -4.156 1.00 0.00 C ATOM 784 CD1 LEU A 51 1.190 5.145 -4.907 1.00 0.00 C ATOM 785 CD2 LEU A 51 -0.922 6.329 -4.281 1.00 0.00 C ATOM 0 H LEU A 51 2.356 5.576 -0.745 1.00 0.00 H new ATOM 0 HA LEU A 51 3.036 6.787 -3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.025 5.252 -2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.245 6.800 -2.099 1.00 0.00 H new ATOM 0 HG LEU A 51 0.977 7.243 -4.601 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.882 5.186 -5.952 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.278 5.187 -4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.838 4.215 -4.461 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.200 6.353 -5.335 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.328 5.429 -3.819 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.326 7.208 -3.779 1.00 0.00 H new ATOM 797 N PHE A 52 1.440 8.750 -1.062 1.00 0.00 N ATOM 798 CA PHE A 52 1.201 10.144 -0.709 1.00 0.00 C ATOM 799 C PHE A 52 2.515 10.915 -0.615 1.00 0.00 C ATOM 800 O PHE A 52 2.625 12.037 -1.108 1.00 0.00 O ATOM 801 CB PHE A 52 0.448 10.234 0.620 1.00 0.00 C ATOM 802 CG PHE A 52 0.051 11.635 0.991 1.00 0.00 C ATOM 803 CD1 PHE A 52 -0.710 12.405 0.126 1.00 0.00 C ATOM 804 CD2 PHE A 52 0.441 12.181 2.203 1.00 0.00 C ATOM 805 CE1 PHE A 52 -1.078 13.694 0.464 1.00 0.00 C ATOM 806 CE2 PHE A 52 0.076 13.469 2.546 1.00 0.00 C ATOM 807 CZ PHE A 52 -0.683 14.227 1.676 1.00 0.00 C ATOM 0 H PHE A 52 0.980 8.075 -0.450 1.00 0.00 H new ATOM 0 HA PHE A 52 0.593 10.592 -1.495 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.447 9.614 0.564 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.073 9.820 1.411 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.019 11.993 -0.823 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.036 11.594 2.887 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.673 14.283 -0.218 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.384 13.883 3.495 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.967 15.234 1.943 1.00 0.00 H new ATOM 817 N SER A 53 3.508 10.303 0.021 1.00 0.00 N ATOM 818 CA SER A 53 4.814 10.932 0.184 1.00 0.00 C ATOM 819 C SER A 53 5.507 11.103 -1.165 1.00 0.00 C ATOM 820 O SER A 53 5.960 12.194 -1.509 1.00 0.00 O ATOM 821 CB SER A 53 5.692 10.099 1.120 1.00 0.00 C ATOM 822 OG SER A 53 5.336 10.309 2.475 1.00 0.00 O ATOM 0 H SER A 53 3.434 9.372 0.432 1.00 0.00 H new ATOM 0 HA SER A 53 4.663 11.918 0.622 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.591 9.042 0.874 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.739 10.362 0.971 1.00 0.00 H new ATOM 0 HG SER A 53 4.893 9.508 2.825 1.00 0.00 H new ATOM 828 N PHE A 54 5.585 10.015 -1.924 1.00 0.00 N ATOM 829 CA PHE A 54 6.223 10.042 -3.235 1.00 0.00 C ATOM 830 C PHE A 54 5.767 11.258 -4.037 1.00 0.00 C ATOM 831 O PHE A 54 6.560 12.149 -4.339 1.00 0.00 O ATOM 832 CB PHE A 54 5.905 8.760 -4.007 1.00 0.00 C ATOM 833 CG PHE A 54 6.499 8.728 -5.386 1.00 0.00 C ATOM 834 CD1 PHE A 54 7.866 8.587 -5.563 1.00 0.00 C ATOM 835 CD2 PHE A 54 5.691 8.837 -6.506 1.00 0.00 C ATOM 836 CE1 PHE A 54 8.415 8.558 -6.831 1.00 0.00 C ATOM 837 CE2 PHE A 54 6.234 8.809 -7.777 1.00 0.00 C ATOM 838 CZ PHE A 54 7.598 8.668 -7.939 1.00 0.00 C ATOM 0 H PHE A 54 5.214 9.104 -1.654 1.00 0.00 H new ATOM 0 HA PHE A 54 7.301 10.110 -3.085 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.273 7.904 -3.441 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.823 8.650 -4.083 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.510 8.499 -4.700 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.623 8.945 -6.385 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.482 8.449 -6.955 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.593 8.897 -8.641 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.025 8.644 -8.931 1.00 0.00 H new ATOM 848 N PHE A 55 4.483 11.286 -4.378 1.00 0.00 N ATOM 849 CA PHE A 55 3.920 12.391 -5.146 1.00 0.00 C ATOM 850 C PHE A 55 3.814 13.649 -4.291 1.00 0.00 C ATOM 851 O PHE A 55 4.137 14.749 -4.741 1.00 0.00 O ATOM 852 CB PHE A 55 2.541 12.012 -5.690 1.00 0.00 C ATOM 853 CG PHE A 55 2.594 11.026 -6.823 1.00 0.00 C ATOM 854 CD1 PHE A 55 3.115 11.392 -8.053 1.00 0.00 C ATOM 855 CD2 PHE A 55 2.121 9.734 -6.657 1.00 0.00 C ATOM 856 CE1 PHE A 55 3.165 10.487 -9.097 1.00 0.00 C ATOM 857 CE2 PHE A 55 2.169 8.825 -7.697 1.00 0.00 C ATOM 858 CZ PHE A 55 2.690 9.203 -8.919 1.00 0.00 C ATOM 0 H PHE A 55 3.813 10.557 -4.135 1.00 0.00 H new ATOM 0 HA PHE A 55 4.588 12.597 -5.982 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.943 11.592 -4.881 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.032 12.915 -6.028 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.486 12.396 -8.198 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.710 9.434 -5.704 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.575 10.784 -10.051 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.800 7.820 -7.554 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.726 8.495 -9.734 1.00 0.00 H new ATOM 868 N ARG A 56 3.357 13.480 -3.054 1.00 0.00 N ATOM 869 CA ARG A 56 3.206 14.601 -2.135 1.00 0.00 C ATOM 870 C ARG A 56 2.030 15.484 -2.543 1.00 0.00 C ATOM 871 O ARG A 56 2.038 16.693 -2.312 1.00 0.00 O ATOM 872 CB ARG A 56 4.490 15.432 -2.094 1.00 0.00 C ATOM 873 CG ARG A 56 4.594 16.331 -0.873 1.00 0.00 C ATOM 874 CD ARG A 56 5.553 17.487 -1.113 1.00 0.00 C ATOM 875 NE ARG A 56 5.343 18.578 -0.166 1.00 0.00 N ATOM 876 CZ ARG A 56 6.229 19.545 0.049 1.00 0.00 C ATOM 877 NH1 ARG A 56 7.378 19.556 -0.612 1.00 0.00 N ATOM 878 NH2 ARG A 56 5.965 20.504 0.928 1.00 0.00 N ATOM 0 H ARG A 56 3.085 12.577 -2.666 1.00 0.00 H new ATOM 0 HA ARG A 56 3.009 14.199 -1.141 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.348 14.760 -2.115 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.544 16.046 -2.993 1.00 0.00 H new ATOM 0 HG2 ARG A 56 3.608 16.721 -0.622 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.933 15.747 -0.017 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.579 17.129 -1.032 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.425 17.859 -2.129 1.00 0.00 H new ATOM 0 HE ARG A 56 4.469 18.599 0.359 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.584 18.821 -1.288 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.056 20.300 -0.444 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.082 20.499 1.439 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.645 21.246 1.093 1.00 0.00 H new ATOM 892 N ASP A 57 1.020 14.871 -3.152 1.00 0.00 N ATOM 893 CA ASP A 57 -0.163 15.600 -3.592 1.00 0.00 C ATOM 894 C ASP A 57 -1.252 14.638 -4.057 1.00 0.00 C ATOM 895 O ASP A 57 -0.963 13.558 -4.573 1.00 0.00 O ATOM 896 CB ASP A 57 0.198 16.566 -4.722 1.00 0.00 C ATOM 897 CG ASP A 57 -0.745 17.751 -4.793 1.00 0.00 C ATOM 898 OD1 ASP A 57 -1.824 17.615 -5.407 1.00 0.00 O ATOM 899 OD2 ASP A 57 -0.405 18.815 -4.235 1.00 0.00 O ATOM 0 H ASP A 57 0.998 13.871 -3.352 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.544 16.170 -2.745 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.217 16.924 -4.578 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.179 16.033 -5.672 1.00 0.00 H new ATOM 904 N THR A 58 -2.507 15.038 -3.871 1.00 0.00 N ATOM 905 CA THR A 58 -3.639 14.211 -4.270 1.00 0.00 C ATOM 906 C THR A 58 -4.214 14.672 -5.604 1.00 0.00 C ATOM 907 O THR A 58 -5.396 15.003 -5.700 1.00 0.00 O ATOM 908 CB THR A 58 -4.754 14.236 -3.207 1.00 0.00 C ATOM 909 OG1 THR A 58 -5.088 15.589 -2.878 1.00 0.00 O ATOM 910 CG2 THR A 58 -4.320 13.496 -1.950 1.00 0.00 C ATOM 0 H THR A 58 -2.764 15.929 -3.447 1.00 0.00 H new ATOM 0 HA THR A 58 -3.266 13.192 -4.372 1.00 0.00 H new ATOM 0 HB THR A 58 -5.630 13.736 -3.620 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.466 16.033 -3.665 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.123 13.527 -1.214 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.095 12.459 -2.198 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.431 13.972 -1.537 1.00 0.00 H new ATOM 918 N ASP A 59 -3.372 14.692 -6.631 1.00 0.00 N ATOM 919 CA ASP A 59 -3.798 15.111 -7.961 1.00 0.00 C ATOM 920 C ASP A 59 -3.997 13.905 -8.873 1.00 0.00 C ATOM 921 O ASP A 59 -3.824 12.761 -8.453 1.00 0.00 O ATOM 922 CB ASP A 59 -2.769 16.064 -8.572 1.00 0.00 C ATOM 923 CG ASP A 59 -1.347 15.565 -8.406 1.00 0.00 C ATOM 924 OD1 ASP A 59 -1.140 14.336 -8.466 1.00 0.00 O ATOM 925 OD2 ASP A 59 -0.442 16.405 -8.216 1.00 0.00 O ATOM 0 H ASP A 59 -2.390 14.423 -6.568 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.751 15.631 -7.864 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.984 16.194 -9.633 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.864 17.044 -8.105 1.00 0.00 H new ATOM 930 N ALA A 60 -4.362 14.169 -10.124 1.00 0.00 N ATOM 931 CA ALA A 60 -4.584 13.105 -11.095 1.00 0.00 C ATOM 932 C ALA A 60 -3.462 12.073 -11.045 1.00 0.00 C ATOM 933 O ALA A 60 -3.713 10.868 -11.032 1.00 0.00 O ATOM 934 CB ALA A 60 -4.706 13.687 -12.496 1.00 0.00 C ATOM 0 H ALA A 60 -4.510 15.110 -10.488 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.517 12.602 -10.839 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.872 12.882 -13.211 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.546 14.381 -12.530 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.788 14.216 -12.751 1.00 0.00 H new ATOM 940 N LYS A 61 -2.223 12.554 -11.019 1.00 0.00 N ATOM 941 CA LYS A 61 -1.062 11.674 -10.970 1.00 0.00 C ATOM 942 C LYS A 61 -1.180 10.680 -9.819 1.00 0.00 C ATOM 943 O LYS A 61 -1.181 9.467 -10.031 1.00 0.00 O ATOM 944 CB LYS A 61 0.220 12.495 -10.819 1.00 0.00 C ATOM 945 CG LYS A 61 0.236 13.760 -11.660 1.00 0.00 C ATOM 946 CD LYS A 61 1.654 14.192 -11.992 1.00 0.00 C ATOM 947 CE LYS A 61 2.196 13.444 -13.200 1.00 0.00 C ATOM 948 NZ LYS A 61 1.881 14.147 -14.475 1.00 0.00 N ATOM 0 H LYS A 61 -1.998 13.549 -11.031 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.021 11.116 -11.906 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.347 12.764 -9.771 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.073 11.875 -11.095 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.319 13.591 -12.583 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.273 14.561 -11.124 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.672 15.264 -12.188 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.300 14.014 -11.133 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.276 13.333 -13.104 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.773 12.440 -13.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.267 13.606 -15.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.850 14.231 -14.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.306 15.096 -14.462 1.00 0.00 H new ATOM 962 N TYR A 62 -1.281 11.202 -8.601 1.00 0.00 N ATOM 963 CA TYR A 62 -1.399 10.360 -7.417 1.00 0.00 C ATOM 964 C TYR A 62 -2.488 9.307 -7.603 1.00 0.00 C ATOM 965 O TYR A 62 -2.203 8.115 -7.719 1.00 0.00 O ATOM 966 CB TYR A 62 -1.706 11.215 -6.186 1.00 0.00 C ATOM 967 CG TYR A 62 -2.017 10.405 -4.948 1.00 0.00 C ATOM 968 CD1 TYR A 62 -0.997 9.882 -4.162 1.00 0.00 C ATOM 969 CD2 TYR A 62 -3.330 10.161 -4.564 1.00 0.00 C ATOM 970 CE1 TYR A 62 -1.276 9.141 -3.030 1.00 0.00 C ATOM 971 CE2 TYR A 62 -3.618 9.422 -3.434 1.00 0.00 C ATOM 972 CZ TYR A 62 -2.588 8.914 -2.670 1.00 0.00 C ATOM 973 OH TYR A 62 -2.871 8.176 -1.543 1.00 0.00 O ATOM 0 H TYR A 62 -1.283 12.204 -8.408 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.447 9.850 -7.269 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.853 11.862 -5.982 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.553 11.864 -6.407 1.00 0.00 H new ATOM 0 HD1 TYR A 62 0.031 10.058 -4.441 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.139 10.556 -5.160 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.471 8.742 -2.430 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.644 9.243 -3.150 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.842 8.110 -1.430 1.00 0.00 H new ATOM 983 N LYS A 63 -3.738 9.757 -7.631 1.00 0.00 N ATOM 984 CA LYS A 63 -4.872 8.857 -7.804 1.00 0.00 C ATOM 985 C LYS A 63 -4.599 7.847 -8.914 1.00 0.00 C ATOM 986 O LYS A 63 -4.815 6.648 -8.741 1.00 0.00 O ATOM 987 CB LYS A 63 -6.138 9.654 -8.125 1.00 0.00 C ATOM 988 CG LYS A 63 -6.480 10.701 -7.078 1.00 0.00 C ATOM 989 CD LYS A 63 -7.422 11.756 -7.632 1.00 0.00 C ATOM 990 CE LYS A 63 -8.878 11.359 -7.439 1.00 0.00 C ATOM 991 NZ LYS A 63 -9.348 10.439 -8.511 1.00 0.00 N ATOM 0 H LYS A 63 -3.991 10.740 -7.536 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.019 8.314 -6.870 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.013 10.145 -9.090 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.976 8.964 -8.224 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.940 10.218 -6.216 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.565 11.178 -6.726 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.235 12.709 -7.137 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.221 11.903 -8.693 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.998 10.877 -6.469 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.500 12.254 -7.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.380 10.520 -8.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.892 10.693 -9.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.100 9.460 -8.262 1.00 0.00 H new ATOM 1005 N ASN A 64 -4.123 8.340 -10.053 1.00 0.00 N ATOM 1006 CA ASN A 64 -3.821 7.479 -11.191 1.00 0.00 C ATOM 1007 C ASN A 64 -2.934 6.311 -10.769 1.00 0.00 C ATOM 1008 O ASN A 64 -3.226 5.154 -11.072 1.00 0.00 O ATOM 1009 CB ASN A 64 -3.133 8.283 -12.296 1.00 0.00 C ATOM 1010 CG ASN A 64 -3.028 7.508 -13.595 1.00 0.00 C ATOM 1011 OD1 ASN A 64 -3.613 6.434 -13.739 1.00 0.00 O ATOM 1012 ND2 ASN A 64 -2.281 8.050 -14.549 1.00 0.00 N ATOM 0 H ASN A 64 -3.938 9.330 -10.212 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.761 7.079 -11.572 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.688 9.205 -12.470 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.135 8.569 -11.965 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.174 7.574 -15.445 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.814 8.942 -14.386 1.00 0.00 H new ATOM 1019 N LYS A 65 -1.849 6.622 -10.067 1.00 0.00 N ATOM 1020 CA LYS A 65 -0.920 5.600 -9.601 1.00 0.00 C ATOM 1021 C LYS A 65 -1.621 4.605 -8.682 1.00 0.00 C ATOM 1022 O LYS A 65 -1.326 3.410 -8.704 1.00 0.00 O ATOM 1023 CB LYS A 65 0.256 6.248 -8.867 1.00 0.00 C ATOM 1024 CG LYS A 65 1.178 5.247 -8.192 1.00 0.00 C ATOM 1025 CD LYS A 65 1.761 4.263 -9.192 1.00 0.00 C ATOM 1026 CE LYS A 65 2.712 4.950 -10.160 1.00 0.00 C ATOM 1027 NZ LYS A 65 3.557 3.970 -10.896 1.00 0.00 N ATOM 0 H LYS A 65 -1.592 7.575 -9.808 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.545 5.061 -10.471 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.834 6.841 -9.576 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.131 6.937 -8.116 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.986 5.777 -7.689 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.627 4.704 -7.424 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.290 3.472 -8.660 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.954 3.787 -9.749 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.139 5.543 -10.873 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.352 5.641 -9.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.191 4.477 -11.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.123 3.421 -10.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.948 3.326 -11.440 1.00 0.00 H new ATOM 1041 N TYR A 66 -2.551 5.105 -7.877 1.00 0.00 N ATOM 1042 CA TYR A 66 -3.294 4.260 -6.949 1.00 0.00 C ATOM 1043 C TYR A 66 -4.174 3.267 -7.703 1.00 0.00 C ATOM 1044 O TYR A 66 -4.002 2.054 -7.584 1.00 0.00 O ATOM 1045 CB TYR A 66 -4.155 5.119 -6.021 1.00 0.00 C ATOM 1046 CG TYR A 66 -5.399 4.417 -5.527 1.00 0.00 C ATOM 1047 CD1 TYR A 66 -5.313 3.222 -4.822 1.00 0.00 C ATOM 1048 CD2 TYR A 66 -6.661 4.947 -5.766 1.00 0.00 C ATOM 1049 CE1 TYR A 66 -6.447 2.577 -4.370 1.00 0.00 C ATOM 1050 CE2 TYR A 66 -7.801 4.309 -5.315 1.00 0.00 C ATOM 1051 CZ TYR A 66 -7.688 3.124 -4.618 1.00 0.00 C ATOM 1052 OH TYR A 66 -8.821 2.485 -4.169 1.00 0.00 O ATOM 0 H TYR A 66 -2.809 6.091 -7.848 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.575 3.700 -6.351 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.556 5.425 -5.163 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.446 6.028 -6.547 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.343 2.791 -4.624 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.753 5.873 -6.314 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.362 1.649 -3.825 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.774 4.736 -5.507 1.00 0.00 H new ATOM 0 HH TYR A 66 -8.984 1.687 -4.714 1.00 0.00 H new ATOM 1062 N ARG A 67 -5.117 3.792 -8.479 1.00 0.00 N ATOM 1063 CA ARG A 67 -6.025 2.954 -9.252 1.00 0.00 C ATOM 1064 C ARG A 67 -5.252 2.068 -10.224 1.00 0.00 C ATOM 1065 O ARG A 67 -5.807 1.137 -10.807 1.00 0.00 O ATOM 1066 CB ARG A 67 -7.025 3.820 -10.019 1.00 0.00 C ATOM 1067 CG ARG A 67 -6.434 4.486 -11.251 1.00 0.00 C ATOM 1068 CD ARG A 67 -6.589 3.611 -12.485 1.00 0.00 C ATOM 1069 NE ARG A 67 -7.954 3.115 -12.637 1.00 0.00 N ATOM 1070 CZ ARG A 67 -8.292 2.135 -13.468 1.00 0.00 C ATOM 1071 NH1 ARG A 67 -7.368 1.550 -14.218 1.00 0.00 N ATOM 1072 NH2 ARG A 67 -9.555 1.739 -13.549 1.00 0.00 N ATOM 0 H ARG A 67 -5.272 4.794 -8.589 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.568 2.314 -8.557 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.871 3.203 -10.321 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.414 4.589 -9.352 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.925 5.444 -11.419 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.378 4.695 -11.082 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.310 4.181 -13.371 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.902 2.767 -12.420 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.688 3.545 -12.074 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.396 1.852 -14.158 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.630 0.798 -14.855 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.268 2.187 -12.973 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.814 0.987 -14.187 1.00 0.00 H new ATOM 1086 N SER A 68 -3.967 2.365 -10.394 1.00 0.00 N ATOM 1087 CA SER A 68 -3.119 1.599 -11.299 1.00 0.00 C ATOM 1088 C SER A 68 -2.495 0.407 -10.580 1.00 0.00 C ATOM 1089 O SER A 68 -2.365 -0.678 -11.149 1.00 0.00 O ATOM 1090 CB SER A 68 -2.020 2.491 -11.880 1.00 0.00 C ATOM 1091 OG SER A 68 -1.340 1.839 -12.939 1.00 0.00 O ATOM 0 H SER A 68 -3.491 3.131 -9.917 1.00 0.00 H new ATOM 0 HA SER A 68 -3.742 1.226 -12.112 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.457 3.422 -12.242 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.310 2.756 -11.096 1.00 0.00 H new ATOM 0 HG SER A 68 -0.644 2.430 -13.294 1.00 0.00 H new ATOM 1097 N LEU A 69 -2.110 0.615 -9.326 1.00 0.00 N ATOM 1098 CA LEU A 69 -1.500 -0.441 -8.527 1.00 0.00 C ATOM 1099 C LEU A 69 -2.484 -1.581 -8.288 1.00 0.00 C ATOM 1100 O LEU A 69 -2.167 -2.747 -8.521 1.00 0.00 O ATOM 1101 CB LEU A 69 -1.016 0.119 -7.188 1.00 0.00 C ATOM 1102 CG LEU A 69 0.260 0.960 -7.235 1.00 0.00 C ATOM 1103 CD1 LEU A 69 0.776 1.225 -5.829 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.325 0.268 -8.074 1.00 0.00 C ATOM 0 H LEU A 69 -2.210 1.506 -8.840 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.646 -0.833 -9.080 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.813 0.728 -6.762 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.853 -0.715 -6.506 1.00 0.00 H new ATOM 0 HG LEU A 69 0.024 1.917 -7.701 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.685 1.825 -5.882 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.019 1.763 -5.259 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.995 0.277 -5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.226 0.881 -8.096 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.558 -0.703 -7.638 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.955 0.130 -9.090 1.00 0.00 H new ATOM 1116 N MET A 70 -3.681 -1.235 -7.824 1.00 0.00 N ATOM 1117 CA MET A 70 -4.713 -2.230 -7.557 1.00 0.00 C ATOM 1118 C MET A 70 -5.269 -2.800 -8.858 1.00 0.00 C ATOM 1119 O MET A 70 -5.632 -3.974 -8.928 1.00 0.00 O ATOM 1120 CB MET A 70 -5.845 -1.613 -6.732 1.00 0.00 C ATOM 1121 CG MET A 70 -6.531 -0.445 -7.420 1.00 0.00 C ATOM 1122 SD MET A 70 -7.571 0.509 -6.298 1.00 0.00 S ATOM 1123 CE MET A 70 -8.473 -0.802 -5.476 1.00 0.00 C ATOM 0 H MET A 70 -3.960 -0.274 -7.625 1.00 0.00 H new ATOM 0 HA MET A 70 -4.260 -3.043 -6.989 1.00 0.00 H new ATOM 0 HB2 MET A 70 -6.586 -2.382 -6.515 1.00 0.00 H new ATOM 0 HB3 MET A 70 -5.445 -1.277 -5.776 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.776 0.210 -7.854 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.140 -0.820 -8.243 1.00 0.00 H new ATOM 0 HE1 MET A 70 -9.437 -0.423 -5.137 1.00 0.00 H new ATOM 0 HE2 MET A 70 -8.631 -1.626 -6.171 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.900 -1.156 -4.619 1.00 0.00 H new ATOM 1133 N PHE A 71 -5.333 -1.960 -9.886 1.00 0.00 N ATOM 1134 CA PHE A 71 -5.846 -2.380 -11.185 1.00 0.00 C ATOM 1135 C PHE A 71 -5.318 -3.763 -11.557 1.00 0.00 C ATOM 1136 O PHE A 71 -6.051 -4.596 -12.089 1.00 0.00 O ATOM 1137 CB PHE A 71 -5.457 -1.367 -12.263 1.00 0.00 C ATOM 1138 CG PHE A 71 -5.356 -1.962 -13.638 1.00 0.00 C ATOM 1139 CD1 PHE A 71 -6.447 -2.590 -14.217 1.00 0.00 C ATOM 1140 CD2 PHE A 71 -4.170 -1.896 -14.351 1.00 0.00 C ATOM 1141 CE1 PHE A 71 -6.358 -3.139 -15.483 1.00 0.00 C ATOM 1142 CE2 PHE A 71 -4.075 -2.442 -15.617 1.00 0.00 C ATOM 1143 CZ PHE A 71 -5.170 -3.066 -16.183 1.00 0.00 C ATOM 0 H PHE A 71 -5.036 -0.985 -9.845 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.933 -2.430 -11.119 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.193 -0.563 -12.277 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -4.500 -0.918 -11.999 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.378 -2.651 -13.673 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.310 -1.412 -13.912 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -7.216 -3.624 -15.924 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.145 -2.381 -16.163 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.097 -3.496 -17.171 1.00 0.00 H new ATOM 1153 N ASN A 72 -4.041 -3.998 -11.274 1.00 0.00 N ATOM 1154 CA ASN A 72 -3.414 -5.279 -11.579 1.00 0.00 C ATOM 1155 C ASN A 72 -3.702 -6.301 -10.484 1.00 0.00 C ATOM 1156 O ASN A 72 -3.813 -7.498 -10.751 1.00 0.00 O ATOM 1157 CB ASN A 72 -1.903 -5.104 -11.743 1.00 0.00 C ATOM 1158 CG ASN A 72 -1.534 -4.484 -13.078 1.00 0.00 C ATOM 1159 OD1 ASN A 72 -1.633 -3.163 -13.164 1.00 0.00 O flip ATOM 1160 ND2 ASN A 72 -1.164 -5.186 -14.019 1.00 0.00 N flip ATOM 0 H ASN A 72 -3.420 -3.319 -10.834 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.835 -5.647 -12.515 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.523 -4.477 -10.937 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.415 -6.074 -11.649 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.103 -6.198 -13.907 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.918 -4.756 -14.911 1.00 0.00 H new ATOM 1167 N LEU A 73 -3.824 -5.821 -9.252 1.00 0.00 N ATOM 1168 CA LEU A 73 -4.101 -6.692 -8.115 1.00 0.00 C ATOM 1169 C LEU A 73 -5.394 -7.473 -8.330 1.00 0.00 C ATOM 1170 O LEU A 73 -5.430 -8.693 -8.165 1.00 0.00 O ATOM 1171 CB LEU A 73 -4.197 -5.870 -6.828 1.00 0.00 C ATOM 1172 CG LEU A 73 -2.867 -5.454 -6.198 1.00 0.00 C ATOM 1173 CD1 LEU A 73 -3.095 -4.423 -5.103 1.00 0.00 C ATOM 1174 CD2 LEU A 73 -2.136 -6.669 -5.645 1.00 0.00 C ATOM 0 H LEU A 73 -3.736 -4.833 -9.014 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.279 -7.402 -8.025 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.774 -4.970 -7.038 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.760 -6.446 -6.094 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.246 -5.002 -6.971 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.138 -4.139 -4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.576 -3.542 -5.527 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.735 -4.849 -4.330 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.192 -6.354 -5.201 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.752 -7.150 -4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.940 -7.374 -6.453 1.00 0.00 H new ATOM 1186 N LYS A 74 -6.454 -6.763 -8.700 1.00 0.00 N ATOM 1187 CA LYS A 74 -7.748 -7.388 -8.942 1.00 0.00 C ATOM 1188 C LYS A 74 -7.701 -8.276 -10.181 1.00 0.00 C ATOM 1189 O LYS A 74 -8.429 -9.265 -10.276 1.00 0.00 O ATOM 1190 CB LYS A 74 -8.831 -6.320 -9.109 1.00 0.00 C ATOM 1191 CG LYS A 74 -8.617 -5.419 -10.313 1.00 0.00 C ATOM 1192 CD LYS A 74 -9.458 -4.157 -10.222 1.00 0.00 C ATOM 1193 CE LYS A 74 -10.945 -4.474 -10.265 1.00 0.00 C ATOM 1194 NZ LYS A 74 -11.451 -4.940 -8.945 1.00 0.00 N ATOM 0 H LYS A 74 -6.442 -5.753 -8.839 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.989 -8.010 -8.080 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.801 -6.809 -9.200 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.866 -5.707 -8.209 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.563 -5.150 -10.385 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.870 -5.961 -11.224 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.224 -3.628 -9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.203 -3.489 -11.045 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.497 -3.586 -10.572 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.131 -5.241 -11.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.572 -5.973 -8.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.769 -4.685 -8.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.366 -4.488 -8.745 1.00 0.00 H new ATOM 1208 N ASP A 75 -6.839 -7.919 -11.127 1.00 0.00 N ATOM 1209 CA ASP A 75 -6.695 -8.685 -12.359 1.00 0.00 C ATOM 1210 C ASP A 75 -6.837 -10.180 -12.090 1.00 0.00 C ATOM 1211 O ASP A 75 -6.074 -10.773 -11.328 1.00 0.00 O ATOM 1212 CB ASP A 75 -5.340 -8.398 -13.008 1.00 0.00 C ATOM 1213 CG ASP A 75 -5.390 -8.492 -14.520 1.00 0.00 C ATOM 1214 OD1 ASP A 75 -6.482 -8.289 -15.091 1.00 0.00 O ATOM 1215 OD2 ASP A 75 -4.338 -8.768 -15.132 1.00 0.00 O ATOM 0 H ASP A 75 -6.229 -7.104 -11.064 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.488 -8.380 -13.041 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.006 -7.401 -12.720 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.602 -9.104 -12.627 1.00 0.00 H new ATOM 1220 N PRO A 76 -7.838 -10.804 -12.728 1.00 0.00 N ATOM 1221 CA PRO A 76 -8.105 -12.237 -12.572 1.00 0.00 C ATOM 1222 C PRO A 76 -7.025 -13.100 -13.216 1.00 0.00 C ATOM 1223 O PRO A 76 -6.806 -14.243 -12.812 1.00 0.00 O ATOM 1224 CB PRO A 76 -9.442 -12.429 -13.291 1.00 0.00 C ATOM 1225 CG PRO A 76 -9.501 -11.320 -14.285 1.00 0.00 C ATOM 1226 CD PRO A 76 -8.787 -10.159 -13.651 1.00 0.00 C ATOM 0 HA PRO A 76 -8.122 -12.537 -11.524 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.492 -13.402 -13.780 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.278 -12.380 -12.593 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -9.023 -11.609 -15.221 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -10.533 -11.062 -14.521 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -8.273 -9.549 -14.394 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.478 -9.502 -13.122 1.00 0.00 H new ATOM 1234 N LYS A 77 -6.352 -12.548 -14.219 1.00 0.00 N ATOM 1235 CA LYS A 77 -5.294 -13.266 -14.919 1.00 0.00 C ATOM 1236 C LYS A 77 -3.963 -13.124 -14.186 1.00 0.00 C ATOM 1237 O LYS A 77 -2.980 -13.776 -14.533 1.00 0.00 O ATOM 1238 CB LYS A 77 -5.157 -12.747 -16.352 1.00 0.00 C ATOM 1239 CG LYS A 77 -5.371 -11.248 -16.478 1.00 0.00 C ATOM 1240 CD LYS A 77 -6.813 -10.918 -16.826 1.00 0.00 C ATOM 1241 CE LYS A 77 -7.018 -10.834 -18.330 1.00 0.00 C ATOM 1242 NZ LYS A 77 -6.279 -9.688 -18.928 1.00 0.00 N ATOM 0 H LYS A 77 -6.521 -11.604 -14.566 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.563 -14.322 -14.946 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.164 -12.997 -16.727 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.877 -13.263 -16.987 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.101 -10.761 -15.541 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -4.710 -10.848 -17.247 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.472 -11.680 -16.410 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.091 -9.970 -16.366 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.685 -11.762 -18.794 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -8.082 -10.733 -18.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -6.753 -9.388 -19.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -6.263 -8.896 -18.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.304 -9.978 -19.144 1.00 0.00 H new ATOM 1256 N ASN A 78 -3.941 -12.267 -13.170 1.00 0.00 N ATOM 1257 CA ASN A 78 -2.732 -12.039 -12.388 1.00 0.00 C ATOM 1258 C ASN A 78 -2.924 -12.496 -10.945 1.00 0.00 C ATOM 1259 O ASN A 78 -3.360 -11.724 -10.092 1.00 0.00 O ATOM 1260 CB ASN A 78 -2.350 -10.558 -12.419 1.00 0.00 C ATOM 1261 CG ASN A 78 -0.854 -10.344 -12.289 1.00 0.00 C ATOM 1262 OD1 ASN A 78 -0.063 -10.961 -13.003 1.00 0.00 O ATOM 1263 ND2 ASN A 78 -0.460 -9.466 -11.374 1.00 0.00 N ATOM 0 H ASN A 78 -4.747 -11.719 -12.869 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.927 -12.624 -12.832 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.698 -10.115 -13.352 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.861 -10.037 -11.609 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.534 -9.280 -11.241 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.151 -8.978 -10.805 1.00 0.00 H new ATOM 1270 N ASN A 79 -2.594 -13.756 -10.679 1.00 0.00 N ATOM 1271 CA ASN A 79 -2.730 -14.316 -9.340 1.00 0.00 C ATOM 1272 C ASN A 79 -1.361 -14.570 -8.715 1.00 0.00 C ATOM 1273 O ASN A 79 -1.106 -15.645 -8.172 1.00 0.00 O ATOM 1274 CB ASN A 79 -3.531 -15.618 -9.387 1.00 0.00 C ATOM 1275 CG ASN A 79 -3.055 -16.550 -10.484 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -3.560 -16.516 -11.607 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -2.077 -17.390 -10.164 1.00 0.00 N ATOM 0 H ASN A 79 -2.230 -14.408 -11.374 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.263 -13.592 -8.723 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.453 -16.124 -8.425 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.585 -15.388 -9.542 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.715 -18.041 -10.861 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.688 -17.384 -9.221 1.00 0.00 H new ATOM 1284 N ILE A 80 -0.486 -13.574 -8.796 1.00 0.00 N ATOM 1285 CA ILE A 80 0.856 -13.689 -8.238 1.00 0.00 C ATOM 1286 C ILE A 80 1.211 -12.464 -7.403 1.00 0.00 C ATOM 1287 O ILE A 80 1.512 -12.575 -6.214 1.00 0.00 O ATOM 1288 CB ILE A 80 1.913 -13.867 -9.344 1.00 0.00 C ATOM 1289 CG1 ILE A 80 1.531 -15.029 -10.263 1.00 0.00 C ATOM 1290 CG2 ILE A 80 3.286 -14.097 -8.732 1.00 0.00 C ATOM 1291 CD1 ILE A 80 2.581 -15.346 -11.305 1.00 0.00 C ATOM 0 H ILE A 80 -0.682 -12.678 -9.243 1.00 0.00 H new ATOM 0 HA ILE A 80 0.858 -14.573 -7.600 1.00 0.00 H new ATOM 0 HB ILE A 80 1.951 -12.955 -9.940 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.352 -15.917 -9.657 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.593 -14.792 -10.765 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.022 -14.221 -9.526 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.558 -13.240 -8.116 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.263 -14.995 -8.115 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.243 -16.180 -11.920 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.743 -14.472 -11.936 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.514 -15.615 -10.811 1.00 0.00 H new ATOM 1303 N LEU A 81 1.172 -11.294 -8.032 1.00 0.00 N ATOM 1304 CA LEU A 81 1.488 -10.046 -7.347 1.00 0.00 C ATOM 1305 C LEU A 81 1.025 -10.090 -5.894 1.00 0.00 C ATOM 1306 O LEU A 81 1.840 -10.116 -4.973 1.00 0.00 O ATOM 1307 CB LEU A 81 0.832 -8.866 -8.068 1.00 0.00 C ATOM 1308 CG LEU A 81 1.529 -7.514 -7.912 1.00 0.00 C ATOM 1309 CD1 LEU A 81 2.751 -7.436 -8.814 1.00 0.00 C ATOM 1310 CD2 LEU A 81 0.564 -6.378 -8.219 1.00 0.00 C ATOM 0 H LEU A 81 0.925 -11.184 -9.015 1.00 0.00 H new ATOM 0 HA LEU A 81 2.570 -9.916 -7.360 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.774 -9.102 -9.131 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.192 -8.769 -7.707 1.00 0.00 H new ATOM 0 HG LEU A 81 1.859 -7.414 -6.878 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.234 -6.467 -8.689 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.451 -8.227 -8.547 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.445 -7.558 -9.853 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.077 -5.423 -8.103 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.203 -6.474 -9.243 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.280 -6.422 -7.531 1.00 0.00 H new ATOM 1322 N PHE A 82 -0.289 -10.100 -5.697 1.00 0.00 N ATOM 1323 CA PHE A 82 -0.861 -10.142 -4.357 1.00 0.00 C ATOM 1324 C PHE A 82 -0.093 -11.117 -3.468 1.00 0.00 C ATOM 1325 O PHE A 82 0.213 -10.815 -2.315 1.00 0.00 O ATOM 1326 CB PHE A 82 -2.336 -10.546 -4.421 1.00 0.00 C ATOM 1327 CG PHE A 82 -2.547 -12.029 -4.528 1.00 0.00 C ATOM 1328 CD1 PHE A 82 -2.661 -12.811 -3.390 1.00 0.00 C ATOM 1329 CD2 PHE A 82 -2.631 -12.642 -5.768 1.00 0.00 C ATOM 1330 CE1 PHE A 82 -2.855 -14.176 -3.485 1.00 0.00 C ATOM 1331 CE2 PHE A 82 -2.826 -14.007 -5.870 1.00 0.00 C ATOM 1332 CZ PHE A 82 -2.937 -14.775 -4.727 1.00 0.00 C ATOM 0 H PHE A 82 -0.978 -10.080 -6.449 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.783 -9.145 -3.925 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.844 -10.178 -3.530 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.801 -10.058 -5.277 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.597 -12.348 -2.416 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.543 -12.047 -6.665 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.942 -14.773 -2.590 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.891 -14.472 -6.842 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.088 -15.842 -4.804 1.00 0.00 H new ATOM 1342 N LYS A 83 0.215 -12.288 -4.014 1.00 0.00 N ATOM 1343 CA LYS A 83 0.947 -13.309 -3.274 1.00 0.00 C ATOM 1344 C LYS A 83 2.361 -12.836 -2.949 1.00 0.00 C ATOM 1345 O LYS A 83 2.826 -12.969 -1.817 1.00 0.00 O ATOM 1346 CB LYS A 83 1.006 -14.609 -4.079 1.00 0.00 C ATOM 1347 CG LYS A 83 1.190 -15.848 -3.220 1.00 0.00 C ATOM 1348 CD LYS A 83 1.337 -17.099 -4.071 1.00 0.00 C ATOM 1349 CE LYS A 83 0.007 -17.518 -4.679 1.00 0.00 C ATOM 1350 NZ LYS A 83 0.192 -18.417 -5.852 1.00 0.00 N ATOM 0 H LYS A 83 -0.031 -12.554 -4.967 1.00 0.00 H new ATOM 0 HA LYS A 83 0.419 -13.492 -2.338 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.087 -14.711 -4.657 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.827 -14.547 -4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.072 -15.728 -2.591 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.336 -15.959 -2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.060 -16.917 -4.866 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.732 -17.911 -3.461 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.594 -18.025 -3.924 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.548 -16.631 -4.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.737 -18.680 -6.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.744 -17.924 -6.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.699 -19.275 -5.555 1.00 0.00 H new ATOM 1364 N LYS A 84 3.039 -12.282 -3.948 1.00 0.00 N ATOM 1365 CA LYS A 84 4.398 -11.786 -3.769 1.00 0.00 C ATOM 1366 C LYS A 84 4.444 -10.697 -2.702 1.00 0.00 C ATOM 1367 O LYS A 84 5.360 -10.658 -1.880 1.00 0.00 O ATOM 1368 CB LYS A 84 4.943 -11.242 -5.092 1.00 0.00 C ATOM 1369 CG LYS A 84 5.021 -12.285 -6.193 1.00 0.00 C ATOM 1370 CD LYS A 84 5.808 -11.776 -7.389 1.00 0.00 C ATOM 1371 CE LYS A 84 4.967 -10.855 -8.258 1.00 0.00 C ATOM 1372 NZ LYS A 84 4.995 -9.449 -7.767 1.00 0.00 N ATOM 0 H LYS A 84 2.669 -12.165 -4.891 1.00 0.00 H new ATOM 0 HA LYS A 84 5.021 -12.618 -3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.309 -10.420 -5.426 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.938 -10.829 -4.923 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.490 -13.189 -5.806 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.014 -12.558 -6.509 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.694 -11.243 -7.043 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.156 -12.621 -7.983 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.334 -10.889 -9.284 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.938 -11.213 -8.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.067 -8.800 -8.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.122 -9.248 -7.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.816 -9.316 -7.142 1.00 0.00 H new ATOM 1386 N VAL A 85 3.449 -9.816 -2.719 1.00 0.00 N ATOM 1387 CA VAL A 85 3.375 -8.728 -1.751 1.00 0.00 C ATOM 1388 C VAL A 85 3.030 -9.252 -0.362 1.00 0.00 C ATOM 1389 O VAL A 85 3.760 -9.016 0.602 1.00 0.00 O ATOM 1390 CB VAL A 85 2.328 -7.677 -2.167 1.00 0.00 C ATOM 1391 CG1 VAL A 85 2.059 -6.711 -1.023 1.00 0.00 C ATOM 1392 CG2 VAL A 85 2.787 -6.931 -3.410 1.00 0.00 C ATOM 0 H VAL A 85 2.683 -9.834 -3.392 1.00 0.00 H new ATOM 0 HA VAL A 85 4.359 -8.259 -1.725 1.00 0.00 H new ATOM 0 HB VAL A 85 1.396 -8.191 -2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.317 -5.976 -1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.683 -7.263 -0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.984 -6.201 -0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.035 -6.193 -3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.731 -6.427 -3.204 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.924 -7.638 -4.229 1.00 0.00 H new ATOM 1402 N LEU A 86 1.913 -9.964 -0.265 1.00 0.00 N ATOM 1403 CA LEU A 86 1.470 -10.523 1.008 1.00 0.00 C ATOM 1404 C LEU A 86 2.547 -11.416 1.615 1.00 0.00 C ATOM 1405 O LEU A 86 2.919 -11.256 2.778 1.00 0.00 O ATOM 1406 CB LEU A 86 0.179 -11.320 0.815 1.00 0.00 C ATOM 1407 CG LEU A 86 -1.125 -10.536 0.971 1.00 0.00 C ATOM 1408 CD1 LEU A 86 -1.341 -9.618 -0.222 1.00 0.00 C ATOM 1409 CD2 LEU A 86 -2.302 -11.486 1.137 1.00 0.00 C ATOM 0 H LEU A 86 1.297 -10.168 -1.052 1.00 0.00 H new ATOM 0 HA LEU A 86 1.281 -9.697 1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.195 -11.764 -0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.173 -12.142 1.531 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.052 -9.921 1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.273 -9.068 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.512 -8.914 -0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.393 -10.213 -1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.221 -10.911 1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.378 -12.128 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.151 -12.101 2.024 1.00 0.00 H new ATOM 1421 N LYS A 87 3.046 -12.356 0.820 1.00 0.00 N ATOM 1422 CA LYS A 87 4.084 -13.273 1.276 1.00 0.00 C ATOM 1423 C LYS A 87 5.313 -12.509 1.755 1.00 0.00 C ATOM 1424 O LYS A 87 5.817 -12.749 2.851 1.00 0.00 O ATOM 1425 CB LYS A 87 4.474 -14.235 0.151 1.00 0.00 C ATOM 1426 CG LYS A 87 3.384 -15.232 -0.202 1.00 0.00 C ATOM 1427 CD LYS A 87 3.177 -16.248 0.908 1.00 0.00 C ATOM 1428 CE LYS A 87 2.684 -17.579 0.361 1.00 0.00 C ATOM 1429 NZ LYS A 87 2.689 -18.643 1.402 1.00 0.00 N ATOM 0 H LYS A 87 2.748 -12.503 -0.144 1.00 0.00 H new ATOM 0 HA LYS A 87 3.685 -13.846 2.113 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.728 -13.657 -0.738 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.371 -14.779 0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.451 -14.701 -0.389 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.647 -15.749 -1.125 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.114 -16.398 1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.456 -15.860 1.628 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.674 -17.459 -0.030 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.315 -17.885 -0.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.346 -19.534 0.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.657 -18.776 1.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.067 -18.363 2.187 1.00 0.00 H new ATOM 1443 N GLY A 88 5.791 -11.585 0.926 1.00 0.00 N ATOM 1444 CA GLY A 88 6.957 -10.799 1.284 1.00 0.00 C ATOM 1445 C GLY A 88 7.874 -10.551 0.103 1.00 0.00 C ATOM 1446 O GLY A 88 8.707 -9.646 0.136 1.00 0.00 O ATOM 0 H GLY A 88 5.391 -11.367 0.013 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.634 -9.843 1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.511 -11.314 2.069 1.00 0.00 H new ATOM 1450 N GLU A 89 7.721 -11.357 -0.943 1.00 0.00 N ATOM 1451 CA GLU A 89 8.544 -11.221 -2.139 1.00 0.00 C ATOM 1452 C GLU A 89 8.620 -9.763 -2.585 1.00 0.00 C ATOM 1453 O GLU A 89 9.643 -9.312 -3.099 1.00 0.00 O ATOM 1454 CB GLU A 89 7.984 -12.084 -3.272 1.00 0.00 C ATOM 1455 CG GLU A 89 8.098 -13.577 -3.013 1.00 0.00 C ATOM 1456 CD GLU A 89 9.534 -14.030 -2.834 1.00 0.00 C ATOM 1457 OE1 GLU A 89 10.140 -13.682 -1.799 1.00 0.00 O ATOM 1458 OE2 GLU A 89 10.052 -14.731 -3.728 1.00 0.00 O ATOM 0 H GLU A 89 7.035 -12.111 -0.986 1.00 0.00 H new ATOM 0 HA GLU A 89 9.551 -11.562 -1.896 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.935 -11.830 -3.427 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.510 -11.843 -4.195 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.527 -13.832 -2.120 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.650 -14.121 -3.844 1.00 0.00 H new ATOM 1465 N VAL A 90 7.528 -9.032 -2.383 1.00 0.00 N ATOM 1466 CA VAL A 90 7.469 -7.625 -2.763 1.00 0.00 C ATOM 1467 C VAL A 90 6.997 -6.761 -1.600 1.00 0.00 C ATOM 1468 O VAL A 90 6.225 -7.210 -0.751 1.00 0.00 O ATOM 1469 CB VAL A 90 6.531 -7.407 -3.965 1.00 0.00 C ATOM 1470 CG1 VAL A 90 6.223 -5.928 -4.140 1.00 0.00 C ATOM 1471 CG2 VAL A 90 7.144 -7.986 -5.231 1.00 0.00 C ATOM 0 H VAL A 90 6.673 -9.391 -1.959 1.00 0.00 H new ATOM 0 HA VAL A 90 8.480 -7.330 -3.043 1.00 0.00 H new ATOM 0 HB VAL A 90 5.594 -7.928 -3.772 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.559 -5.793 -4.994 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.739 -5.548 -3.240 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.150 -5.381 -4.311 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.468 -7.823 -6.070 1.00 0.00 H new ATOM 0 HG22 VAL A 90 8.096 -7.495 -5.432 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.308 -9.056 -5.100 1.00 0.00 H new ATOM 1481 N THR A 91 7.464 -5.517 -1.565 1.00 0.00 N ATOM 1482 CA THR A 91 7.090 -4.589 -0.506 1.00 0.00 C ATOM 1483 C THR A 91 6.037 -3.599 -0.989 1.00 0.00 C ATOM 1484 O THR A 91 5.941 -3.287 -2.176 1.00 0.00 O ATOM 1485 CB THR A 91 8.312 -3.808 0.014 1.00 0.00 C ATOM 1486 OG1 THR A 91 9.265 -3.631 -1.040 1.00 0.00 O ATOM 1487 CG2 THR A 91 8.965 -4.538 1.178 1.00 0.00 C ATOM 0 H THR A 91 8.103 -5.129 -2.259 1.00 0.00 H new ATOM 0 HA THR A 91 6.677 -5.187 0.307 1.00 0.00 H new ATOM 0 HB THR A 91 7.971 -2.833 0.362 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.038 -3.132 -0.702 1.00 0.00 H new ATOM 0 HG21 THR A 91 9.825 -3.968 1.528 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.246 -4.645 1.990 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.293 -5.525 0.851 1.00 0.00 H new ATOM 1495 N PRO A 92 5.225 -3.092 -0.049 1.00 0.00 N ATOM 1496 CA PRO A 92 4.164 -2.128 -0.355 1.00 0.00 C ATOM 1497 C PRO A 92 4.717 -0.764 -0.753 1.00 0.00 C ATOM 1498 O PRO A 92 3.990 0.083 -1.272 1.00 0.00 O ATOM 1499 CB PRO A 92 3.386 -2.027 0.960 1.00 0.00 C ATOM 1500 CG PRO A 92 4.372 -2.399 2.013 1.00 0.00 C ATOM 1501 CD PRO A 92 5.282 -3.420 1.386 1.00 0.00 C ATOM 0 HA PRO A 92 3.556 -2.446 -1.202 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.001 -1.019 1.116 1.00 0.00 H new ATOM 0 HB3 PRO A 92 2.528 -2.700 0.965 1.00 0.00 H new ATOM 0 HG2 PRO A 92 4.935 -1.527 2.346 1.00 0.00 H new ATOM 0 HG3 PRO A 92 3.871 -2.809 2.890 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.297 -3.346 1.775 1.00 0.00 H new ATOM 0 HD3 PRO A 92 4.940 -4.436 1.580 1.00 0.00 H new ATOM 1509 N ASP A 93 6.006 -0.559 -0.507 1.00 0.00 N ATOM 1510 CA ASP A 93 6.657 0.703 -0.842 1.00 0.00 C ATOM 1511 C ASP A 93 7.261 0.648 -2.242 1.00 0.00 C ATOM 1512 O ASP A 93 7.108 1.580 -3.032 1.00 0.00 O ATOM 1513 CB ASP A 93 7.745 1.028 0.184 1.00 0.00 C ATOM 1514 CG ASP A 93 8.877 0.020 0.165 1.00 0.00 C ATOM 1515 OD1 ASP A 93 9.785 0.163 -0.682 1.00 0.00 O ATOM 1516 OD2 ASP A 93 8.857 -0.910 0.997 1.00 0.00 O ATOM 0 H ASP A 93 6.621 -1.250 -0.077 1.00 0.00 H new ATOM 0 HA ASP A 93 5.903 1.489 -0.822 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.144 2.022 -0.016 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.304 1.056 1.180 1.00 0.00 H new ATOM 1521 N HIS A 94 7.948 -0.449 -2.542 1.00 0.00 N ATOM 1522 CA HIS A 94 8.575 -0.625 -3.847 1.00 0.00 C ATOM 1523 C HIS A 94 7.524 -0.849 -4.930 1.00 0.00 C ATOM 1524 O HIS A 94 7.702 -0.438 -6.077 1.00 0.00 O ATOM 1525 CB HIS A 94 9.549 -1.803 -3.814 1.00 0.00 C ATOM 1526 CG HIS A 94 10.649 -1.701 -4.825 1.00 0.00 C ATOM 1527 ND1 HIS A 94 11.616 -0.719 -4.788 1.00 0.00 N ATOM 1528 CD2 HIS A 94 10.932 -2.465 -5.906 1.00 0.00 C ATOM 1529 CE1 HIS A 94 12.446 -0.882 -5.803 1.00 0.00 C ATOM 1530 NE2 HIS A 94 12.053 -1.936 -6.496 1.00 0.00 N ATOM 0 H HIS A 94 8.085 -1.229 -1.900 1.00 0.00 H new ATOM 0 HA HIS A 94 9.126 0.286 -4.083 1.00 0.00 H new ATOM 0 HB2 HIS A 94 9.987 -1.873 -2.819 1.00 0.00 H new ATOM 0 HB3 HIS A 94 8.995 -2.726 -3.984 1.00 0.00 H new ATOM 0 HD2 HIS A 94 10.379 -3.330 -6.242 1.00 0.00 H new ATOM 0 HE1 HIS A 94 13.300 -0.260 -6.028 1.00 0.00 H new ATOM 0 HE2 HIS A 94 12.509 -2.298 -7.334 1.00 0.00 H new ATOM 1539 N LEU A 95 6.429 -1.504 -4.558 1.00 0.00 N ATOM 1540 CA LEU A 95 5.349 -1.784 -5.497 1.00 0.00 C ATOM 1541 C LEU A 95 5.052 -0.564 -6.364 1.00 0.00 C ATOM 1542 O LEU A 95 4.659 -0.696 -7.524 1.00 0.00 O ATOM 1543 CB LEU A 95 4.087 -2.207 -4.743 1.00 0.00 C ATOM 1544 CG LEU A 95 2.937 -2.734 -5.601 1.00 0.00 C ATOM 1545 CD1 LEU A 95 3.309 -4.067 -6.231 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.670 -2.871 -4.769 1.00 0.00 C ATOM 0 H LEU A 95 6.266 -1.851 -3.613 1.00 0.00 H new ATOM 0 HA LEU A 95 5.667 -2.600 -6.146 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.360 -2.979 -4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.725 -1.352 -4.172 1.00 0.00 H new ATOM 0 HG LEU A 95 2.747 -2.017 -6.400 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.478 -4.427 -6.838 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.190 -3.939 -6.860 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.526 -4.792 -5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.862 -3.247 -5.396 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.847 -3.567 -3.949 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.393 -1.897 -4.365 1.00 0.00 H new ATOM 1558 N ILE A 96 5.244 0.621 -5.795 1.00 0.00 N ATOM 1559 CA ILE A 96 4.999 1.863 -6.517 1.00 0.00 C ATOM 1560 C ILE A 96 6.075 2.108 -7.570 1.00 0.00 C ATOM 1561 O ILE A 96 5.770 2.386 -8.730 1.00 0.00 O ATOM 1562 CB ILE A 96 4.949 3.069 -5.561 1.00 0.00 C ATOM 1563 CG1 ILE A 96 4.045 2.763 -4.365 1.00 0.00 C ATOM 1564 CG2 ILE A 96 4.462 4.309 -6.297 1.00 0.00 C ATOM 1565 CD1 ILE A 96 4.169 3.767 -3.241 1.00 0.00 C ATOM 0 H ILE A 96 5.568 0.747 -4.836 1.00 0.00 H new ATOM 0 HA ILE A 96 4.031 1.758 -7.007 1.00 0.00 H new ATOM 0 HB ILE A 96 5.956 3.262 -5.191 1.00 0.00 H new ATOM 0 HG12 ILE A 96 3.009 2.733 -4.702 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.285 1.771 -3.983 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.432 5.153 -5.608 1.00 0.00 H new ATOM 0 HG22 ILE A 96 5.142 4.535 -7.118 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.463 4.128 -6.693 1.00 0.00 H new ATOM 0 HD11 ILE A 96 3.500 3.487 -2.427 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.196 3.781 -2.877 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.900 4.758 -3.607 1.00 0.00 H new ATOM 1577 N ARG A 97 7.334 2.000 -7.158 1.00 0.00 N ATOM 1578 CA ARG A 97 8.455 2.209 -8.066 1.00 0.00 C ATOM 1579 C ARG A 97 8.362 1.275 -9.269 1.00 0.00 C ATOM 1580 O ARG A 97 8.827 1.603 -10.360 1.00 0.00 O ATOM 1581 CB ARG A 97 9.780 1.985 -7.334 1.00 0.00 C ATOM 1582 CG ARG A 97 10.039 2.989 -6.222 1.00 0.00 C ATOM 1583 CD ARG A 97 11.509 3.027 -5.838 1.00 0.00 C ATOM 1584 NE ARG A 97 11.791 4.071 -4.856 1.00 0.00 N ATOM 1585 CZ ARG A 97 13.007 4.329 -4.385 1.00 0.00 C ATOM 1586 NH1 ARG A 97 14.047 3.622 -4.805 1.00 0.00 N ATOM 1587 NH2 ARG A 97 13.183 5.295 -3.493 1.00 0.00 N ATOM 0 H ARG A 97 7.603 1.769 -6.202 1.00 0.00 H new ATOM 0 HA ARG A 97 8.414 3.238 -8.423 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.787 0.980 -6.913 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.596 2.035 -8.055 1.00 0.00 H new ATOM 0 HG2 ARG A 97 9.720 3.980 -6.544 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.440 2.729 -5.349 1.00 0.00 H new ATOM 0 HD2 ARG A 97 11.803 2.059 -5.433 1.00 0.00 H new ATOM 0 HD3 ARG A 97 12.113 3.196 -6.730 1.00 0.00 H new ATOM 0 HE ARG A 97 11.012 4.633 -4.513 1.00 0.00 H new ATOM 0 HH11 ARG A 97 13.915 2.879 -5.491 1.00 0.00 H new ATOM 0 HH12 ARG A 97 14.979 3.822 -4.442 1.00 0.00 H new ATOM 0 HH21 ARG A 97 12.385 5.841 -3.168 1.00 0.00 H new ATOM 0 HH22 ARG A 97 14.116 5.492 -3.132 1.00 0.00 H new ATOM 1601 N MET A 98 7.759 0.109 -9.060 1.00 0.00 N ATOM 1602 CA MET A 98 7.605 -0.873 -10.128 1.00 0.00 C ATOM 1603 C MET A 98 6.963 -0.241 -11.359 1.00 0.00 C ATOM 1604 O MET A 98 6.206 0.724 -11.249 1.00 0.00 O ATOM 1605 CB MET A 98 6.759 -2.053 -9.646 1.00 0.00 C ATOM 1606 CG MET A 98 7.357 -2.783 -8.454 1.00 0.00 C ATOM 1607 SD MET A 98 8.556 -4.040 -8.939 1.00 0.00 S ATOM 1608 CE MET A 98 7.472 -5.422 -9.292 1.00 0.00 C ATOM 0 H MET A 98 7.369 -0.179 -8.162 1.00 0.00 H new ATOM 0 HA MET A 98 8.596 -1.234 -10.402 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.765 -1.692 -9.380 1.00 0.00 H new ATOM 0 HB3 MET A 98 6.632 -2.758 -10.467 1.00 0.00 H new ATOM 0 HG2 MET A 98 7.840 -2.061 -7.796 1.00 0.00 H new ATOM 0 HG3 MET A 98 6.557 -3.252 -7.881 1.00 0.00 H new ATOM 0 HE1 MET A 98 8.067 -6.280 -9.606 1.00 0.00 H new ATOM 0 HE2 MET A 98 6.908 -5.680 -8.396 1.00 0.00 H new ATOM 0 HE3 MET A 98 6.781 -5.148 -10.089 1.00 0.00 H new ATOM 1618 N SER A 99 7.270 -0.791 -12.529 1.00 0.00 N ATOM 1619 CA SER A 99 6.725 -0.278 -13.781 1.00 0.00 C ATOM 1620 C SER A 99 5.318 -0.815 -14.022 1.00 0.00 C ATOM 1621 O SER A 99 4.951 -1.896 -13.561 1.00 0.00 O ATOM 1622 CB SER A 99 7.635 -0.657 -14.951 1.00 0.00 C ATOM 1623 OG SER A 99 8.681 0.287 -15.111 1.00 0.00 O ATOM 0 H SER A 99 7.893 -1.592 -12.637 1.00 0.00 H new ATOM 0 HA SER A 99 6.673 0.808 -13.707 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.058 -1.647 -14.781 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.049 -0.714 -15.868 1.00 0.00 H new ATOM 0 HG SER A 99 9.249 0.021 -15.864 1.00 0.00 H new ATOM 1629 N PRO A 100 4.509 -0.042 -14.762 1.00 0.00 N ATOM 1630 CA PRO A 100 3.129 -0.419 -15.082 1.00 0.00 C ATOM 1631 C PRO A 100 3.059 -1.592 -16.053 1.00 0.00 C ATOM 1632 O PRO A 100 1.976 -2.086 -16.366 1.00 0.00 O ATOM 1633 CB PRO A 100 2.557 0.846 -15.727 1.00 0.00 C ATOM 1634 CG PRO A 100 3.742 1.558 -16.280 1.00 0.00 C ATOM 1635 CD PRO A 100 4.879 1.259 -15.343 1.00 0.00 C ATOM 0 HA PRO A 100 2.581 -0.749 -14.200 1.00 0.00 H new ATOM 0 HB2 PRO A 100 1.841 0.601 -16.511 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.032 1.460 -14.996 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.968 1.214 -17.290 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.559 2.631 -16.342 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.831 1.207 -15.871 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.981 2.027 -14.576 1.00 0.00 H new ATOM 1643 N GLU A 101 4.220 -2.032 -16.527 1.00 0.00 N ATOM 1644 CA GLU A 101 4.289 -3.147 -17.464 1.00 0.00 C ATOM 1645 C GLU A 101 4.764 -4.417 -16.764 1.00 0.00 C ATOM 1646 O GLU A 101 4.595 -5.522 -17.280 1.00 0.00 O ATOM 1647 CB GLU A 101 5.227 -2.810 -18.625 1.00 0.00 C ATOM 1648 CG GLU A 101 5.586 -4.010 -19.485 1.00 0.00 C ATOM 1649 CD GLU A 101 6.259 -3.615 -20.786 1.00 0.00 C ATOM 1650 OE1 GLU A 101 5.537 -3.319 -21.761 1.00 0.00 O ATOM 1651 OE2 GLU A 101 7.507 -3.602 -20.828 1.00 0.00 O ATOM 0 H GLU A 101 5.125 -1.634 -16.278 1.00 0.00 H new ATOM 0 HA GLU A 101 3.287 -3.321 -17.856 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.758 -2.052 -19.252 1.00 0.00 H new ATOM 0 HB3 GLU A 101 6.142 -2.372 -18.226 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.248 -4.670 -18.924 1.00 0.00 H new ATOM 0 HG3 GLU A 101 4.682 -4.578 -19.706 1.00 0.00 H new ATOM 1658 N GLU A 102 5.359 -4.250 -15.587 1.00 0.00 N ATOM 1659 CA GLU A 102 5.859 -5.383 -14.818 1.00 0.00 C ATOM 1660 C GLU A 102 4.777 -5.934 -13.893 1.00 0.00 C ATOM 1661 O GLU A 102 4.578 -7.146 -13.805 1.00 0.00 O ATOM 1662 CB GLU A 102 7.084 -4.970 -13.998 1.00 0.00 C ATOM 1663 CG GLU A 102 8.382 -4.995 -14.788 1.00 0.00 C ATOM 1664 CD GLU A 102 9.602 -5.143 -13.901 1.00 0.00 C ATOM 1665 OE1 GLU A 102 10.008 -4.141 -13.276 1.00 0.00 O ATOM 1666 OE2 GLU A 102 10.152 -6.263 -13.832 1.00 0.00 O ATOM 0 H GLU A 102 5.506 -3.342 -15.146 1.00 0.00 H new ATOM 0 HA GLU A 102 6.146 -6.166 -15.519 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.926 -3.965 -13.606 1.00 0.00 H new ATOM 0 HB3 GLU A 102 7.178 -5.636 -13.140 1.00 0.00 H new ATOM 0 HG2 GLU A 102 8.353 -5.819 -15.501 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.468 -4.076 -15.367 1.00 0.00 H new ATOM 1673 N LEU A 103 4.081 -5.035 -13.206 1.00 0.00 N ATOM 1674 CA LEU A 103 3.019 -5.429 -12.287 1.00 0.00 C ATOM 1675 C LEU A 103 2.172 -6.549 -12.882 1.00 0.00 C ATOM 1676 O LEU A 103 1.694 -7.428 -12.165 1.00 0.00 O ATOM 1677 CB LEU A 103 2.134 -4.227 -11.954 1.00 0.00 C ATOM 1678 CG LEU A 103 2.798 -3.105 -11.154 1.00 0.00 C ATOM 1679 CD1 LEU A 103 2.083 -1.785 -11.392 1.00 0.00 C ATOM 1680 CD2 LEU A 103 2.815 -3.445 -9.671 1.00 0.00 C ATOM 0 H LEU A 103 4.233 -4.028 -13.268 1.00 0.00 H new ATOM 0 HA LEU A 103 3.482 -5.796 -11.371 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.759 -3.808 -12.888 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.269 -4.582 -11.394 1.00 0.00 H new ATOM 0 HG LEU A 103 3.828 -3.003 -11.494 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.569 -0.999 -10.815 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.124 -1.535 -12.452 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.042 -1.873 -11.080 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.291 -2.636 -9.118 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.793 -3.575 -9.316 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.373 -4.368 -9.516 1.00 0.00 H new