USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 815 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 Single : A 11 TYR OH : rot -35:sc= 1.19 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 15 GLN : amide:sc= 1.17 K(o=1.2,f=-0.64) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= 1.07 K(o=1.1,f=-0.035) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.649 K(o=-0.65,f=-4.4!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.62) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 CYS SG : rot 180:sc= -1.03 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0152 USER MOD Single : A 75 TYR OH : rot 15:sc= 0.0251 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0.754 K(o=0.75,f=-0.3) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -29:sc= 0.6 USER MOD Single : A 92 ASN : amide:sc= -0.456 X(o=-0.46,f=-0.46) USER MOD Single : A 94 SER OG : rot 117:sc= -1.9! USER MOD Single : A 96 ASN : amide:sc= 0.217 X(o=0.22,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 82:sc= 1.22 USER MOD Single : A 101 HIS :FLIP no HD1:sc= -0.634 F(o=-1.6!,f=-0.63) USER MOD Single : A 107 LYS NZ :NH3+ 148:sc= 1.15 (180deg=0.482) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= -0.457 X(o=-0.46,f=-0.22) USER MOD Single : A 110 CYS SG : rot 39:sc= 0.127 USER MOD Single : A 114 MET CE :methyl -175:sc= -0.294 (180deg=-0.439) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 HIS : no HE2:sc= -0.692 K(o=-0.69,f=-2.2) USER MOD Single : A 123 GLN : amide:sc= 0.592 K(o=0.59,f=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 HIS : no HD1:sc= -0.95 X(o=-0.95,f=-1.3) USER MOD Single : A 130 ASN : amide:sc= -0.6 K(o=-0.6,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 109 N TYR A 11 3.563 17.712 -4.662 1.00 0.00 N ATOM 110 CA TYR A 11 2.843 16.456 -4.477 1.00 0.00 C ATOM 111 C TYR A 11 2.654 16.119 -2.996 1.00 0.00 C ATOM 112 O TYR A 11 1.744 15.374 -2.644 1.00 0.00 O ATOM 113 CB TYR A 11 3.590 15.301 -5.136 1.00 0.00 C ATOM 114 CG TYR A 11 3.960 15.480 -6.590 1.00 0.00 C ATOM 115 CD1 TYR A 11 2.971 15.451 -7.590 1.00 0.00 C ATOM 116 CD2 TYR A 11 5.310 15.642 -6.940 1.00 0.00 C ATOM 117 CE1 TYR A 11 3.335 15.609 -8.940 1.00 0.00 C ATOM 118 CE2 TYR A 11 5.680 15.803 -8.282 1.00 0.00 C ATOM 119 CZ TYR A 11 4.693 15.796 -9.291 1.00 0.00 C ATOM 120 OH TYR A 11 5.084 15.978 -10.583 1.00 0.00 O ATOM 0 HA TYR A 11 1.866 16.589 -4.942 1.00 0.00 H new ATOM 0 HB2 TYR A 11 4.504 15.119 -4.571 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.977 14.404 -5.048 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.935 15.308 -7.322 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.068 15.643 -6.170 1.00 0.00 H new ATOM 0 HE1 TYR A 11 2.577 15.588 -9.709 1.00 0.00 H new ATOM 0 HE2 TYR A 11 6.720 15.932 -8.544 1.00 0.00 H new ATOM 0 HH TYR A 11 4.516 15.442 -11.175 1.00 0.00 H new ATOM 130 N SER A 12 3.476 16.683 -2.107 1.00 0.00 N ATOM 131 CA SER A 12 3.303 16.586 -0.668 1.00 0.00 C ATOM 132 C SER A 12 1.935 17.086 -0.190 1.00 0.00 C ATOM 133 O SER A 12 1.538 16.742 0.920 1.00 0.00 O ATOM 134 CB SER A 12 4.416 17.363 0.024 1.00 0.00 C ATOM 135 OG SER A 12 4.507 18.681 -0.491 1.00 0.00 O ATOM 0 H SER A 12 4.294 17.229 -2.380 1.00 0.00 H new ATOM 0 HA SER A 12 3.353 15.529 -0.405 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.227 17.399 1.097 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.366 16.847 -0.115 1.00 0.00 H new ATOM 0 HG SER A 12 5.226 19.163 -0.032 1.00 0.00 H new ATOM 141 N GLN A 13 1.216 17.889 -0.983 1.00 0.00 N ATOM 142 CA GLN A 13 -0.161 18.258 -0.696 1.00 0.00 C ATOM 143 C GLN A 13 -1.042 17.030 -0.828 1.00 0.00 C ATOM 144 O GLN A 13 -1.503 16.526 0.189 1.00 0.00 O ATOM 145 CB GLN A 13 -0.654 19.368 -1.631 1.00 0.00 C ATOM 146 CG GLN A 13 0.070 20.681 -1.365 1.00 0.00 C ATOM 147 CD GLN A 13 -0.637 21.871 -2.003 1.00 0.00 C ATOM 148 OE1 GLN A 13 -1.124 21.808 -3.127 1.00 0.00 O ATOM 149 NE2 GLN A 13 -0.670 22.993 -1.311 1.00 0.00 N ATOM 0 H GLN A 13 1.581 18.299 -1.843 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.212 18.644 0.322 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.498 19.069 -2.667 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.727 19.509 -1.497 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.146 20.840 -0.289 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.088 20.617 -1.750 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.260 23.029 -0.378 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.105 23.825 -1.709 1.00 0.00 H new ATOM 158 N ARG A 14 -1.217 16.522 -2.056 1.00 0.00 N ATOM 159 CA ARG A 14 -1.948 15.293 -2.366 1.00 0.00 C ATOM 160 C ARG A 14 -1.591 14.206 -1.372 1.00 0.00 C ATOM 161 O ARG A 14 -2.467 13.571 -0.798 1.00 0.00 O ATOM 162 CB ARG A 14 -1.574 14.811 -3.781 1.00 0.00 C ATOM 163 CG ARG A 14 -2.179 15.642 -4.909 1.00 0.00 C ATOM 164 CD ARG A 14 -1.625 15.165 -6.262 1.00 0.00 C ATOM 165 NE ARG A 14 -2.596 15.335 -7.354 1.00 0.00 N ATOM 166 CZ ARG A 14 -2.780 16.434 -8.093 1.00 0.00 C ATOM 167 NH1 ARG A 14 -2.124 17.557 -7.824 1.00 0.00 N ATOM 168 NH2 ARG A 14 -3.629 16.412 -9.111 1.00 0.00 N ATOM 0 H ARG A 14 -0.838 16.975 -2.888 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.017 15.501 -2.311 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.489 14.821 -3.880 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.895 13.776 -3.896 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.265 15.551 -4.898 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.946 16.697 -4.762 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.717 15.720 -6.496 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.346 14.114 -6.188 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.189 14.533 -7.569 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.468 17.590 -7.044 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.276 18.386 -8.398 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.141 15.557 -9.330 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.770 17.250 -9.675 1.00 0.00 H new ATOM 182 N GLN A 15 -0.301 13.970 -1.166 1.00 0.00 N ATOM 183 CA GLN A 15 0.180 12.906 -0.310 1.00 0.00 C ATOM 184 C GLN A 15 -0.396 13.068 1.092 1.00 0.00 C ATOM 185 O GLN A 15 -1.002 12.133 1.598 1.00 0.00 O ATOM 186 CB GLN A 15 1.710 12.910 -0.314 1.00 0.00 C ATOM 187 CG GLN A 15 2.241 12.351 -1.649 1.00 0.00 C ATOM 188 CD GLN A 15 3.683 12.761 -1.914 1.00 0.00 C ATOM 189 OE1 GLN A 15 4.399 13.162 -1.006 1.00 0.00 O ATOM 190 NE2 GLN A 15 4.153 12.724 -3.148 1.00 0.00 N ATOM 0 H GLN A 15 0.443 14.520 -1.595 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.153 11.938 -0.684 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.079 13.925 -0.164 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.085 12.309 0.515 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.171 11.263 -1.638 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.610 12.703 -2.465 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.561 12.391 -3.909 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.107 13.029 -3.340 1.00 0.00 H new ATOM 199 N ASP A 16 -0.230 14.237 1.709 1.00 0.00 N ATOM 200 CA ASP A 16 -0.713 14.512 3.062 1.00 0.00 C ATOM 201 C ASP A 16 -2.241 14.490 3.139 1.00 0.00 C ATOM 202 O ASP A 16 -2.805 13.943 4.084 1.00 0.00 O ATOM 203 CB ASP A 16 -0.168 15.876 3.489 1.00 0.00 C ATOM 204 CG ASP A 16 -0.184 16.062 4.999 1.00 0.00 C ATOM 205 OD1 ASP A 16 -1.249 16.425 5.534 1.00 0.00 O ATOM 206 OD2 ASP A 16 0.913 15.948 5.603 1.00 0.00 O ATOM 0 H ASP A 16 0.249 15.028 1.279 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.360 13.732 3.736 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.853 15.987 3.123 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.761 16.663 3.023 1.00 0.00 H new ATOM 211 N HIS A 17 -2.902 15.013 2.102 1.00 0.00 N ATOM 212 CA HIS A 17 -4.344 14.962 1.894 1.00 0.00 C ATOM 213 C HIS A 17 -4.824 13.514 1.995 1.00 0.00 C ATOM 214 O HIS A 17 -5.733 13.226 2.769 1.00 0.00 O ATOM 215 CB HIS A 17 -4.699 15.585 0.523 1.00 0.00 C ATOM 216 CG HIS A 17 -5.192 17.012 0.563 1.00 0.00 C ATOM 217 ND1 HIS A 17 -6.276 17.501 -0.131 1.00 0.00 N ATOM 218 CD2 HIS A 17 -4.580 18.076 1.169 1.00 0.00 C ATOM 219 CE1 HIS A 17 -6.326 18.828 0.057 1.00 0.00 C ATOM 220 NE2 HIS A 17 -5.319 19.227 0.858 1.00 0.00 N ATOM 0 H HIS A 17 -2.419 15.506 1.351 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.851 15.542 2.665 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.816 15.542 -0.115 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.464 14.968 0.051 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.688 18.036 1.777 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.069 19.484 -0.373 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.131 20.178 1.176 1.00 0.00 H new ATOM 228 N GLU A 18 -4.198 12.594 1.254 1.00 0.00 N ATOM 229 CA GLU A 18 -4.671 11.219 1.168 1.00 0.00 C ATOM 230 C GLU A 18 -4.503 10.495 2.497 1.00 0.00 C ATOM 231 O GLU A 18 -5.259 9.584 2.785 1.00 0.00 O ATOM 232 CB GLU A 18 -3.941 10.436 0.059 1.00 0.00 C ATOM 233 CG GLU A 18 -4.927 9.859 -0.957 1.00 0.00 C ATOM 234 CD GLU A 18 -5.596 10.965 -1.781 1.00 0.00 C ATOM 235 OE1 GLU A 18 -4.872 11.850 -2.293 1.00 0.00 O ATOM 236 OE2 GLU A 18 -6.836 10.943 -1.957 1.00 0.00 O ATOM 0 H GLU A 18 -3.359 12.783 0.705 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.731 11.265 0.920 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.236 11.094 -0.449 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.360 9.628 0.504 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.404 9.173 -1.623 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.690 9.279 -0.437 1.00 0.00 H new ATOM 243 N LEU A 19 -3.519 10.876 3.307 1.00 0.00 N ATOM 244 CA LEU A 19 -3.236 10.229 4.584 1.00 0.00 C ATOM 245 C LEU A 19 -4.356 10.561 5.553 1.00 0.00 C ATOM 246 O LEU A 19 -4.962 9.664 6.127 1.00 0.00 O ATOM 247 CB LEU A 19 -1.879 10.726 5.107 1.00 0.00 C ATOM 248 CG LEU A 19 -0.734 10.294 4.182 1.00 0.00 C ATOM 249 CD1 LEU A 19 0.521 11.137 4.399 1.00 0.00 C ATOM 250 CD2 LEU A 19 -0.360 8.836 4.330 1.00 0.00 C ATOM 0 H LEU A 19 -2.890 11.650 3.093 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.182 9.146 4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.894 11.813 5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.707 10.334 6.109 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.120 10.450 3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.308 10.799 3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.295 12.184 4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.857 11.031 5.431 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.456 8.598 3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.043 8.644 5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.223 8.213 4.095 1.00 0.00 H new ATOM 262 N GLN A 20 -4.667 11.848 5.687 1.00 0.00 N ATOM 263 CA GLN A 20 -5.771 12.302 6.520 1.00 0.00 C ATOM 264 C GLN A 20 -7.099 11.722 6.014 1.00 0.00 C ATOM 265 O GLN A 20 -7.973 11.377 6.808 1.00 0.00 O ATOM 266 CB GLN A 20 -5.780 13.837 6.540 1.00 0.00 C ATOM 267 CG GLN A 20 -4.496 14.385 7.201 1.00 0.00 C ATOM 268 CD GLN A 20 -4.520 15.889 7.478 1.00 0.00 C ATOM 269 OE1 GLN A 20 -5.447 16.429 8.083 1.00 0.00 O ATOM 270 NE2 GLN A 20 -3.496 16.631 7.097 1.00 0.00 N ATOM 0 H GLN A 20 -4.161 12.601 5.222 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.642 11.945 7.542 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.861 14.218 5.522 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.655 14.193 7.084 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.332 13.857 8.141 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.646 14.160 6.557 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.717 16.206 6.595 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.484 17.629 7.305 1.00 0.00 H new ATOM 279 N ALA A 21 -7.261 11.593 4.695 1.00 0.00 N ATOM 280 CA ALA A 21 -8.422 10.950 4.095 1.00 0.00 C ATOM 281 C ALA A 21 -8.489 9.459 4.461 1.00 0.00 C ATOM 282 O ALA A 21 -9.548 8.967 4.841 1.00 0.00 O ATOM 283 CB ALA A 21 -8.380 11.158 2.579 1.00 0.00 C ATOM 0 H ALA A 21 -6.584 11.935 4.013 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.329 11.407 4.490 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.246 10.679 2.122 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.396 12.225 2.358 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.468 10.718 2.176 1.00 0.00 H new ATOM 289 N LEU A 22 -7.379 8.722 4.363 1.00 0.00 N ATOM 290 CA LEU A 22 -7.296 7.303 4.719 1.00 0.00 C ATOM 291 C LEU A 22 -7.562 7.116 6.216 1.00 0.00 C ATOM 292 O LEU A 22 -8.136 6.097 6.600 1.00 0.00 O ATOM 293 CB LEU A 22 -5.922 6.713 4.325 1.00 0.00 C ATOM 294 CG LEU A 22 -5.733 6.522 2.802 1.00 0.00 C ATOM 295 CD1 LEU A 22 -4.248 6.532 2.417 1.00 0.00 C ATOM 296 CD2 LEU A 22 -6.357 5.217 2.295 1.00 0.00 C ATOM 0 H LEU A 22 -6.495 9.103 4.027 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.061 6.763 4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.136 7.369 4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.796 5.750 4.820 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.244 7.362 2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.150 6.395 1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.804 7.485 2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.733 5.722 2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.197 5.131 1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.892 4.371 2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.427 5.220 2.503 1.00 0.00 H new ATOM 308 N GLU A 23 -7.223 8.093 7.061 1.00 0.00 N ATOM 309 CA GLU A 23 -7.496 8.023 8.490 1.00 0.00 C ATOM 310 C GLU A 23 -9.005 8.083 8.734 1.00 0.00 C ATOM 311 O GLU A 23 -9.514 7.411 9.623 1.00 0.00 O ATOM 312 CB GLU A 23 -6.784 9.158 9.244 1.00 0.00 C ATOM 313 CG GLU A 23 -6.669 8.813 10.739 1.00 0.00 C ATOM 314 CD GLU A 23 -6.816 10.022 11.664 1.00 0.00 C ATOM 315 OE1 GLU A 23 -6.105 11.037 11.500 1.00 0.00 O ATOM 316 OE2 GLU A 23 -7.607 9.920 12.635 1.00 0.00 O ATOM 0 H GLU A 23 -6.753 8.950 6.770 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.111 7.077 8.870 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.791 9.317 8.823 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.336 10.089 9.120 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.433 8.078 10.993 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.702 8.343 10.921 1.00 0.00 H new ATOM 323 N ALA A 24 -9.739 8.844 7.923 1.00 0.00 N ATOM 324 CA ALA A 24 -11.176 8.963 8.027 1.00 0.00 C ATOM 325 C ALA A 24 -11.825 7.687 7.496 1.00 0.00 C ATOM 326 O ALA A 24 -12.832 7.216 8.035 1.00 0.00 O ATOM 327 CB ALA A 24 -11.598 10.181 7.204 1.00 0.00 C ATOM 0 H ALA A 24 -9.338 9.399 7.168 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.493 9.094 9.062 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.680 10.301 7.260 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.113 11.073 7.600 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.302 10.038 6.165 1.00 0.00 H new ATOM 333 N ILE A 25 -11.266 7.143 6.410 1.00 0.00 N ATOM 334 CA ILE A 25 -11.807 5.970 5.754 1.00 0.00 C ATOM 335 C ILE A 25 -11.680 4.754 6.678 1.00 0.00 C ATOM 336 O ILE A 25 -12.651 4.007 6.792 1.00 0.00 O ATOM 337 CB ILE A 25 -11.166 5.767 4.358 1.00 0.00 C ATOM 338 CG1 ILE A 25 -11.591 6.898 3.386 1.00 0.00 C ATOM 339 CG2 ILE A 25 -11.476 4.374 3.771 1.00 0.00 C ATOM 340 CD1 ILE A 25 -12.945 6.720 2.693 1.00 0.00 C ATOM 0 H ILE A 25 -10.424 7.512 5.968 1.00 0.00 H new ATOM 0 HA ILE A 25 -12.871 6.110 5.565 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.085 5.819 4.487 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.610 7.837 3.940 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -10.823 6.997 2.618 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.006 4.279 2.792 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -11.087 3.604 4.437 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.555 4.254 3.669 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.134 7.572 2.039 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -12.934 5.804 2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -13.733 6.657 3.444 1.00 0.00 H new ATOM 352 N TYR A 26 -10.518 4.553 7.312 1.00 0.00 N ATOM 353 CA TYR A 26 -10.205 3.359 8.094 1.00 0.00 C ATOM 354 C TYR A 26 -10.266 3.628 9.599 1.00 0.00 C ATOM 355 O TYR A 26 -10.959 2.907 10.318 1.00 0.00 O ATOM 356 CB TYR A 26 -8.823 2.823 7.686 1.00 0.00 C ATOM 357 CG TYR A 26 -8.797 2.228 6.290 1.00 0.00 C ATOM 358 CD1 TYR A 26 -9.286 0.922 6.097 1.00 0.00 C ATOM 359 CD2 TYR A 26 -8.332 2.977 5.186 1.00 0.00 C ATOM 360 CE1 TYR A 26 -9.367 0.379 4.807 1.00 0.00 C ATOM 361 CE2 TYR A 26 -8.422 2.440 3.887 1.00 0.00 C ATOM 362 CZ TYR A 26 -8.964 1.149 3.696 1.00 0.00 C ATOM 363 OH TYR A 26 -9.150 0.662 2.441 1.00 0.00 O ATOM 0 H TYR A 26 -9.757 5.232 7.293 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.961 2.604 7.879 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -8.096 3.633 7.741 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.510 2.064 8.403 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.600 0.335 6.947 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.909 3.959 5.338 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.737 -0.626 4.664 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -8.078 3.013 3.039 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.821 1.312 1.786 1.00 0.00 H new ATOM 373 N GLY A 27 -9.527 4.629 10.088 1.00 0.00 N ATOM 374 CA GLY A 27 -9.447 5.043 11.492 1.00 0.00 C ATOM 375 C GLY A 27 -9.159 3.895 12.461 1.00 0.00 C ATOM 376 O GLY A 27 -9.719 3.840 13.561 1.00 0.00 O ATOM 0 H GLY A 27 -8.938 5.202 9.484 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.666 5.797 11.595 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.387 5.517 11.775 1.00 0.00 H new ATOM 380 N SER A 28 -8.364 2.925 12.013 1.00 0.00 N ATOM 381 CA SER A 28 -8.202 1.618 12.622 1.00 0.00 C ATOM 382 C SER A 28 -7.017 0.985 11.905 1.00 0.00 C ATOM 383 O SER A 28 -5.873 1.140 12.328 1.00 0.00 O ATOM 384 CB SER A 28 -9.544 0.871 12.455 1.00 0.00 C ATOM 385 OG SER A 28 -9.548 -0.512 12.755 1.00 0.00 O ATOM 0 H SER A 28 -7.791 3.040 11.177 1.00 0.00 H new ATOM 0 HA SER A 28 -7.986 1.616 13.690 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.285 1.358 13.089 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.876 0.996 11.424 1.00 0.00 H new ATOM 0 HG SER A 28 -10.448 -0.875 12.615 1.00 0.00 H new ATOM 391 N ASP A 29 -7.289 0.378 10.752 1.00 0.00 N ATOM 392 CA ASP A 29 -6.317 -0.351 9.949 1.00 0.00 C ATOM 393 C ASP A 29 -5.201 0.565 9.453 1.00 0.00 C ATOM 394 O ASP A 29 -4.091 0.100 9.199 1.00 0.00 O ATOM 395 CB ASP A 29 -7.029 -0.977 8.738 1.00 0.00 C ATOM 396 CG ASP A 29 -8.039 -2.070 9.096 1.00 0.00 C ATOM 397 OD1 ASP A 29 -7.839 -2.769 10.117 1.00 0.00 O ATOM 398 OD2 ASP A 29 -9.074 -2.171 8.406 1.00 0.00 O ATOM 0 H ASP A 29 -8.222 0.382 10.340 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.872 -1.125 10.575 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.544 -0.190 8.187 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.279 -1.397 8.068 1.00 0.00 H new ATOM 403 N PHE A 30 -5.498 1.858 9.285 1.00 0.00 N ATOM 404 CA PHE A 30 -4.543 2.863 8.843 1.00 0.00 C ATOM 405 C PHE A 30 -3.675 3.266 10.020 1.00 0.00 C ATOM 406 O PHE A 30 -4.185 3.752 11.030 1.00 0.00 O ATOM 407 CB PHE A 30 -5.261 4.093 8.274 1.00 0.00 C ATOM 408 CG PHE A 30 -4.298 5.166 7.801 1.00 0.00 C ATOM 409 CD1 PHE A 30 -3.405 4.879 6.754 1.00 0.00 C ATOM 410 CD2 PHE A 30 -4.241 6.422 8.434 1.00 0.00 C ATOM 411 CE1 PHE A 30 -2.492 5.849 6.318 1.00 0.00 C ATOM 412 CE2 PHE A 30 -3.349 7.407 7.972 1.00 0.00 C ATOM 413 CZ PHE A 30 -2.482 7.131 6.899 1.00 0.00 C ATOM 0 H PHE A 30 -6.429 2.236 9.458 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.925 2.441 8.050 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.894 3.786 7.442 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.918 4.511 9.037 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.422 3.907 6.284 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.884 6.630 9.277 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.792 5.611 5.531 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.330 8.379 8.443 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.816 7.895 6.525 1.00 0.00 H new ATOM 423 N GLN A 31 -2.367 3.102 9.868 1.00 0.00 N ATOM 424 CA GLN A 31 -1.368 3.363 10.862 1.00 0.00 C ATOM 425 C GLN A 31 -0.355 4.283 10.201 1.00 0.00 C ATOM 426 O GLN A 31 0.380 3.881 9.293 1.00 0.00 O ATOM 427 CB GLN A 31 -0.799 2.013 11.288 1.00 0.00 C ATOM 428 CG GLN A 31 -0.139 2.088 12.658 1.00 0.00 C ATOM 429 CD GLN A 31 0.430 0.741 13.118 1.00 0.00 C ATOM 430 OE1 GLN A 31 -0.159 -0.375 12.721 1.00 0.00 O flip ATOM 431 NE2 GLN A 31 1.400 0.683 13.879 1.00 0.00 N flip ATOM 0 H GLN A 31 -1.966 2.764 8.993 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.732 3.854 11.765 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.598 1.272 11.309 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.070 1.676 10.551 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.663 2.825 12.630 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.868 2.438 13.389 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.858 1.541 14.188 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.744 -0.222 14.199 1.00 0.00 H new ATOM 440 N ASP A 32 -0.376 5.545 10.602 1.00 0.00 N ATOM 441 CA ASP A 32 0.583 6.542 10.172 1.00 0.00 C ATOM 442 C ASP A 32 1.958 6.147 10.715 1.00 0.00 C ATOM 443 O ASP A 32 2.101 5.846 11.899 1.00 0.00 O ATOM 444 CB ASP A 32 0.142 7.941 10.634 1.00 0.00 C ATOM 445 CG ASP A 32 0.753 8.366 11.970 1.00 0.00 C ATOM 446 OD1 ASP A 32 0.224 7.946 13.025 1.00 0.00 O ATOM 447 OD2 ASP A 32 1.781 9.082 11.940 1.00 0.00 O ATOM 0 H ASP A 32 -1.076 5.909 11.249 1.00 0.00 H new ATOM 0 HA ASP A 32 0.640 6.584 9.084 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.416 8.669 9.871 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.945 7.961 10.718 1.00 0.00 H new ATOM 452 N LEU A 33 2.992 6.136 9.871 1.00 0.00 N ATOM 453 CA LEU A 33 4.349 5.767 10.287 1.00 0.00 C ATOM 454 C LEU A 33 5.335 6.907 10.023 1.00 0.00 C ATOM 455 O LEU A 33 6.530 6.743 10.287 1.00 0.00 O ATOM 456 CB LEU A 33 4.822 4.477 9.593 1.00 0.00 C ATOM 457 CG LEU A 33 3.817 3.308 9.571 1.00 0.00 C ATOM 458 CD1 LEU A 33 4.454 2.172 8.786 1.00 0.00 C ATOM 459 CD2 LEU A 33 3.371 2.756 10.929 1.00 0.00 C ATOM 0 H LEU A 33 2.914 6.381 8.884 1.00 0.00 H new ATOM 0 HA LEU A 33 4.318 5.579 11.360 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.088 4.719 8.564 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.733 4.137 10.086 1.00 0.00 H new ATOM 0 HG LEU A 33 2.910 3.714 9.124 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.768 1.325 8.750 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.670 2.507 7.772 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.381 1.868 9.273 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.666 1.939 10.776 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.240 2.388 11.475 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.890 3.548 11.503 1.00 0.00 H new ATOM 641 N PRO A 44 9.331 10.234 3.229 1.00 0.00 N ATOM 642 CA PRO A 44 8.273 9.364 2.749 1.00 0.00 C ATOM 643 C PRO A 44 7.012 9.579 3.597 1.00 0.00 C ATOM 644 O PRO A 44 7.120 9.673 4.825 1.00 0.00 O ATOM 645 CB PRO A 44 8.837 7.954 2.917 1.00 0.00 C ATOM 646 CG PRO A 44 9.793 8.069 4.098 1.00 0.00 C ATOM 647 CD PRO A 44 10.366 9.467 3.924 1.00 0.00 C ATOM 0 HA PRO A 44 7.985 9.555 1.715 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.046 7.230 3.114 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.355 7.623 2.017 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.276 7.958 5.051 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.570 7.305 4.067 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.605 9.915 4.888 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.290 9.443 3.346 1.00 0.00 H new ATOM 655 N PRO A 45 5.805 9.646 3.012 1.00 0.00 N ATOM 656 CA PRO A 45 4.566 9.464 3.758 1.00 0.00 C ATOM 657 C PRO A 45 4.408 7.961 4.045 1.00 0.00 C ATOM 658 O PRO A 45 3.547 7.279 3.492 1.00 0.00 O ATOM 659 CB PRO A 45 3.484 10.016 2.837 1.00 0.00 C ATOM 660 CG PRO A 45 4.008 9.706 1.437 1.00 0.00 C ATOM 661 CD PRO A 45 5.526 9.821 1.594 1.00 0.00 C ATOM 0 HA PRO A 45 4.527 9.972 4.722 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.521 9.538 3.019 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.341 11.087 2.983 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.712 8.710 1.109 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.626 10.411 0.699 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.037 9.062 1.001 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.881 10.791 1.245 1.00 0.00 H new ATOM 669 N GLU A 46 5.304 7.439 4.876 1.00 0.00 N ATOM 670 CA GLU A 46 5.388 6.040 5.254 1.00 0.00 C ATOM 671 C GLU A 46 4.147 5.685 6.081 1.00 0.00 C ATOM 672 O GLU A 46 3.830 6.376 7.055 1.00 0.00 O ATOM 673 CB GLU A 46 6.725 5.789 5.990 1.00 0.00 C ATOM 674 CG GLU A 46 7.264 4.385 5.688 1.00 0.00 C ATOM 675 CD GLU A 46 8.743 4.179 6.041 1.00 0.00 C ATOM 676 OE1 GLU A 46 9.633 4.601 5.271 1.00 0.00 O ATOM 677 OE2 GLU A 46 9.062 3.411 6.974 1.00 0.00 O ATOM 0 H GLU A 46 6.022 8.009 5.323 1.00 0.00 H new ATOM 0 HA GLU A 46 5.391 5.383 4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.457 6.537 5.686 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.580 5.903 7.064 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.668 3.656 6.237 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.125 4.177 4.627 1.00 0.00 H new ATOM 684 N ILE A 47 3.423 4.631 5.693 1.00 0.00 N ATOM 685 CA ILE A 47 2.194 4.162 6.351 1.00 0.00 C ATOM 686 C ILE A 47 2.147 2.642 6.335 1.00 0.00 C ATOM 687 O ILE A 47 2.841 1.996 5.535 1.00 0.00 O ATOM 688 CB ILE A 47 0.914 4.727 5.712 1.00 0.00 C ATOM 689 CG1 ILE A 47 0.690 4.289 4.249 1.00 0.00 C ATOM 690 CG2 ILE A 47 0.950 6.249 5.825 1.00 0.00 C ATOM 691 CD1 ILE A 47 -0.347 3.173 4.074 1.00 0.00 C ATOM 0 H ILE A 47 3.682 4.061 4.888 1.00 0.00 H new ATOM 0 HA ILE A 47 2.226 4.530 7.377 1.00 0.00 H new ATOM 0 HB ILE A 47 0.066 4.314 6.259 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.375 5.155 3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.640 3.954 3.833 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.049 6.669 5.377 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.999 6.535 6.876 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.827 6.632 5.303 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.442 2.927 3.016 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.026 2.289 4.625 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.311 3.509 4.456 1.00 0.00 H new ATOM 703 N ASN A 48 1.246 2.087 7.142 1.00 0.00 N ATOM 704 CA ASN A 48 0.746 0.739 6.991 1.00 0.00 C ATOM 705 C ASN A 48 -0.782 0.796 6.948 1.00 0.00 C ATOM 706 O ASN A 48 -1.385 1.657 7.591 1.00 0.00 O ATOM 707 CB ASN A 48 1.253 -0.110 8.162 1.00 0.00 C ATOM 708 CG ASN A 48 0.646 -1.495 8.144 1.00 0.00 C ATOM 709 OD1 ASN A 48 1.166 -2.382 7.486 1.00 0.00 O ATOM 710 ND2 ASN A 48 -0.469 -1.691 8.824 1.00 0.00 N ATOM 0 H ASN A 48 0.839 2.581 7.936 1.00 0.00 H new ATOM 0 HA ASN A 48 1.100 0.282 6.067 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.339 -0.187 8.114 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.010 0.383 9.103 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.921 -2.605 8.809 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.878 -0.928 9.364 1.00 0.00 H new ATOM 717 N LEU A 49 -1.397 -0.126 6.215 1.00 0.00 N ATOM 718 CA LEU A 49 -2.808 -0.469 6.241 1.00 0.00 C ATOM 719 C LEU A 49 -2.888 -1.956 6.557 1.00 0.00 C ATOM 720 O LEU A 49 -2.025 -2.727 6.143 1.00 0.00 O ATOM 721 CB LEU A 49 -3.456 -0.165 4.877 1.00 0.00 C ATOM 722 CG LEU A 49 -3.857 1.313 4.754 1.00 0.00 C ATOM 723 CD1 LEU A 49 -3.992 1.765 3.298 1.00 0.00 C ATOM 724 CD2 LEU A 49 -5.187 1.553 5.470 1.00 0.00 C ATOM 0 H LEU A 49 -0.882 -0.692 5.540 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.344 0.115 6.989 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.760 -0.421 4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.337 -0.793 4.745 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.060 1.896 5.215 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.277 2.817 3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.039 1.633 2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.757 1.168 2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.465 2.603 5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.961 0.932 5.018 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.084 1.295 6.524 1.00 0.00 H new ATOM 736 N VAL A 50 -3.922 -2.387 7.262 1.00 0.00 N ATOM 737 CA VAL A 50 -4.289 -3.793 7.382 1.00 0.00 C ATOM 738 C VAL A 50 -5.439 -3.989 6.400 1.00 0.00 C ATOM 739 O VAL A 50 -6.261 -3.088 6.233 1.00 0.00 O ATOM 740 CB VAL A 50 -4.698 -4.115 8.832 1.00 0.00 C ATOM 741 CG1 VAL A 50 -5.064 -5.602 8.980 1.00 0.00 C ATOM 742 CG2 VAL A 50 -3.578 -3.751 9.825 1.00 0.00 C ATOM 0 H VAL A 50 -4.541 -1.761 7.776 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.464 -4.467 7.151 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.574 -3.510 9.065 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.349 -5.805 10.012 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.898 -5.839 8.319 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.204 -6.217 8.713 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.899 -3.991 10.839 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.680 -4.320 9.585 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.362 -2.685 9.755 1.00 0.00 H new ATOM 752 N LEU A 51 -5.488 -5.127 5.708 1.00 0.00 N ATOM 753 CA LEU A 51 -6.529 -5.408 4.732 1.00 0.00 C ATOM 754 C LEU A 51 -6.951 -6.860 4.902 1.00 0.00 C ATOM 755 O LEU A 51 -6.098 -7.750 5.005 1.00 0.00 O ATOM 756 CB LEU A 51 -6.009 -5.114 3.313 1.00 0.00 C ATOM 757 CG LEU A 51 -5.640 -3.629 3.093 1.00 0.00 C ATOM 758 CD1 LEU A 51 -4.852 -3.471 1.798 1.00 0.00 C ATOM 759 CD2 LEU A 51 -6.870 -2.716 3.035 1.00 0.00 C ATOM 0 H LEU A 51 -4.805 -5.877 5.812 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.399 -4.769 4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.132 -5.732 3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.769 -5.404 2.588 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.037 -3.328 3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.597 -2.421 1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.938 -4.062 1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.457 -3.817 0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.551 -1.685 2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.514 -3.025 2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.421 -2.787 3.973 1.00 0.00 H new ATOM 771 N TYR A 52 -8.266 -7.078 4.915 1.00 0.00 N ATOM 772 CA TYR A 52 -8.917 -8.366 5.104 1.00 0.00 C ATOM 773 C TYR A 52 -9.786 -8.661 3.862 1.00 0.00 C ATOM 774 O TYR A 52 -10.072 -7.748 3.089 1.00 0.00 O ATOM 775 CB TYR A 52 -9.755 -8.335 6.396 1.00 0.00 C ATOM 776 CG TYR A 52 -9.050 -7.904 7.671 1.00 0.00 C ATOM 777 CD1 TYR A 52 -8.414 -8.861 8.480 1.00 0.00 C ATOM 778 CD2 TYR A 52 -9.112 -6.567 8.107 1.00 0.00 C ATOM 779 CE1 TYR A 52 -7.913 -8.524 9.744 1.00 0.00 C ATOM 780 CE2 TYR A 52 -8.605 -6.213 9.368 1.00 0.00 C ATOM 781 CZ TYR A 52 -8.027 -7.193 10.206 1.00 0.00 C ATOM 782 OH TYR A 52 -7.613 -6.839 11.454 1.00 0.00 O ATOM 0 H TYR A 52 -8.936 -6.320 4.787 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.181 -9.163 5.210 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -10.600 -7.666 6.235 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -10.164 -9.332 6.557 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.310 -9.874 8.121 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -9.550 -5.812 7.471 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.443 -9.276 10.361 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.657 -5.186 9.699 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.771 -5.882 11.592 1.00 0.00 H new ATOM 792 N PRO A 53 -10.190 -9.913 3.613 1.00 0.00 N ATOM 793 CA PRO A 53 -11.023 -10.296 2.482 1.00 0.00 C ATOM 794 C PRO A 53 -12.474 -9.880 2.730 1.00 0.00 C ATOM 795 O PRO A 53 -12.966 -9.997 3.853 1.00 0.00 O ATOM 796 CB PRO A 53 -10.865 -11.815 2.389 1.00 0.00 C ATOM 797 CG PRO A 53 -10.345 -12.275 3.736 1.00 0.00 C ATOM 798 CD PRO A 53 -10.022 -11.022 4.518 1.00 0.00 C ATOM 0 HA PRO A 53 -10.733 -9.810 1.550 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.818 -12.291 2.158 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -10.172 -12.085 1.592 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.091 -12.876 4.256 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.459 -12.899 3.618 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.683 -10.922 5.379 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -9.002 -11.057 4.901 1.00 0.00 H new ATOM 896 N VAL A 61 -11.168 -14.906 9.570 1.00 0.00 N ATOM 897 CA VAL A 61 -10.296 -14.566 8.455 1.00 0.00 C ATOM 898 C VAL A 61 -9.166 -15.597 8.319 1.00 0.00 C ATOM 899 O VAL A 61 -8.557 -16.027 9.302 1.00 0.00 O ATOM 900 CB VAL A 61 -9.771 -13.119 8.595 1.00 0.00 C ATOM 901 CG1 VAL A 61 -9.221 -12.640 7.260 1.00 0.00 C ATOM 902 CG2 VAL A 61 -10.826 -12.128 9.094 1.00 0.00 C ATOM 0 HA VAL A 61 -10.870 -14.604 7.529 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.986 -13.150 9.351 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -8.852 -11.620 7.364 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.404 -13.291 6.948 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.012 -12.666 6.510 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.385 -11.134 9.167 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.662 -12.104 8.395 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -11.183 -12.440 10.075 1.00 0.00 H new ATOM 912 N TYR A 62 -8.906 -16.023 7.085 1.00 0.00 N ATOM 913 CA TYR A 62 -7.923 -17.051 6.748 1.00 0.00 C ATOM 914 C TYR A 62 -6.696 -16.369 6.141 1.00 0.00 C ATOM 915 O TYR A 62 -5.548 -16.712 6.434 1.00 0.00 O ATOM 916 CB TYR A 62 -8.542 -18.054 5.766 1.00 0.00 C ATOM 917 CG TYR A 62 -9.841 -18.693 6.232 1.00 0.00 C ATOM 918 CD1 TYR A 62 -11.055 -17.983 6.171 1.00 0.00 C ATOM 919 CD2 TYR A 62 -9.845 -20.011 6.715 1.00 0.00 C ATOM 920 CE1 TYR A 62 -12.267 -18.597 6.514 1.00 0.00 C ATOM 921 CE2 TYR A 62 -11.055 -20.638 7.070 1.00 0.00 C ATOM 922 CZ TYR A 62 -12.275 -19.934 6.954 1.00 0.00 C ATOM 923 OH TYR A 62 -13.463 -20.514 7.262 1.00 0.00 O ATOM 0 H TYR A 62 -9.388 -15.651 6.267 1.00 0.00 H new ATOM 0 HA TYR A 62 -7.620 -17.599 7.640 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -8.724 -17.547 4.819 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.816 -18.843 5.571 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.052 -16.950 5.855 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.913 -20.548 6.815 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -13.193 -18.046 6.441 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -11.051 -21.656 7.431 1.00 0.00 H new ATOM 0 HH TYR A 62 -13.311 -21.438 7.549 1.00 0.00 H new ATOM 933 N VAL A 63 -6.929 -15.343 5.318 1.00 0.00 N ATOM 934 CA VAL A 63 -5.891 -14.536 4.709 1.00 0.00 C ATOM 935 C VAL A 63 -6.154 -13.077 5.045 1.00 0.00 C ATOM 936 O VAL A 63 -7.252 -12.554 4.918 1.00 0.00 O ATOM 937 CB VAL A 63 -5.802 -14.781 3.196 1.00 0.00 C ATOM 938 CG1 VAL A 63 -5.256 -16.169 2.881 1.00 0.00 C ATOM 939 CG2 VAL A 63 -7.147 -14.626 2.502 1.00 0.00 C ATOM 0 H VAL A 63 -7.871 -15.051 5.056 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.919 -14.820 5.111 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.118 -14.021 2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.208 -16.305 1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.257 -16.272 3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.912 -16.925 3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.029 -14.810 1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.855 -15.343 2.917 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.522 -13.614 2.657 1.00 0.00 H new ATOM 949 N GLN A 64 -5.091 -12.411 5.435 1.00 0.00 N ATOM 950 CA GLN A 64 -4.976 -10.991 5.717 1.00 0.00 C ATOM 951 C GLN A 64 -3.547 -10.624 5.333 1.00 0.00 C ATOM 952 O GLN A 64 -2.692 -11.519 5.221 1.00 0.00 O ATOM 953 CB GLN A 64 -5.262 -10.685 7.204 1.00 0.00 C ATOM 954 CG GLN A 64 -4.366 -11.465 8.184 1.00 0.00 C ATOM 955 CD GLN A 64 -4.432 -10.936 9.615 1.00 0.00 C ATOM 956 OE1 GLN A 64 -5.275 -11.314 10.418 1.00 0.00 O ATOM 957 NE2 GLN A 64 -3.495 -10.101 10.019 1.00 0.00 N ATOM 0 H GLN A 64 -4.202 -12.890 5.577 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.706 -10.407 5.157 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.130 -9.617 7.377 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.305 -10.916 7.418 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.661 -12.514 8.178 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.334 -11.422 7.835 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.785 -9.776 9.363 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.481 -9.780 10.987 1.00 0.00 H new ATOM 966 N VAL A 65 -3.272 -9.336 5.158 1.00 0.00 N ATOM 967 CA VAL A 65 -1.915 -8.845 5.007 1.00 0.00 C ATOM 968 C VAL A 65 -1.826 -7.440 5.600 1.00 0.00 C ATOM 969 O VAL A 65 -2.846 -6.762 5.767 1.00 0.00 O ATOM 970 CB VAL A 65 -1.498 -8.974 3.524 1.00 0.00 C ATOM 971 CG1 VAL A 65 -2.191 -7.986 2.583 1.00 0.00 C ATOM 972 CG2 VAL A 65 0.009 -8.854 3.317 1.00 0.00 C ATOM 0 H VAL A 65 -3.985 -8.608 5.117 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.191 -9.439 5.564 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.828 -9.980 3.264 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.840 -8.147 1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.269 -8.140 2.624 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.958 -6.966 2.890 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.240 -8.953 2.256 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.349 -7.882 3.673 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.517 -9.642 3.873 1.00 0.00 H new ATOM 982 N GLU A 66 -0.606 -7.009 5.898 1.00 0.00 N ATOM 983 CA GLU A 66 -0.262 -5.644 6.239 1.00 0.00 C ATOM 984 C GLU A 66 0.367 -5.040 4.986 1.00 0.00 C ATOM 985 O GLU A 66 1.387 -5.508 4.480 1.00 0.00 O ATOM 986 CB GLU A 66 0.653 -5.652 7.472 1.00 0.00 C ATOM 987 CG GLU A 66 -0.214 -5.526 8.732 1.00 0.00 C ATOM 988 CD GLU A 66 0.575 -5.792 10.010 1.00 0.00 C ATOM 989 OE1 GLU A 66 1.147 -4.836 10.581 1.00 0.00 O ATOM 990 OE2 GLU A 66 0.628 -6.963 10.442 1.00 0.00 O ATOM 0 H GLU A 66 0.201 -7.632 5.907 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.118 -5.031 6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.234 -6.573 7.505 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.364 -4.828 7.419 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.644 -4.525 8.775 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.046 -6.228 8.669 1.00 0.00 H new ATOM 997 N LEU A 67 -0.299 -4.048 4.413 1.00 0.00 N ATOM 998 CA LEU A 67 0.091 -3.352 3.214 1.00 0.00 C ATOM 999 C LEU A 67 0.891 -2.146 3.701 1.00 0.00 C ATOM 1000 O LEU A 67 0.378 -1.305 4.430 1.00 0.00 O ATOM 1001 CB LEU A 67 -1.209 -2.991 2.467 1.00 0.00 C ATOM 1002 CG LEU A 67 -0.957 -2.035 1.293 1.00 0.00 C ATOM 1003 CD1 LEU A 67 -1.599 -2.509 -0.015 1.00 0.00 C ATOM 1004 CD2 LEU A 67 -1.437 -0.617 1.592 1.00 0.00 C ATOM 0 H LEU A 67 -1.174 -3.694 4.801 1.00 0.00 H new ATOM 0 HA LEU A 67 0.708 -3.918 2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.678 -3.902 2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.910 -2.531 3.163 1.00 0.00 H new ATOM 0 HG LEU A 67 0.125 -2.031 1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.385 -1.791 -0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.192 -3.482 -0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.678 -2.591 0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.238 0.023 0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.508 -0.630 1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.908 -0.230 2.463 1.00 0.00 H new ATOM 1016 N ARG A 68 2.166 -2.069 3.332 1.00 0.00 N ATOM 1017 CA ARG A 68 3.154 -1.173 3.925 1.00 0.00 C ATOM 1018 C ARG A 68 3.733 -0.361 2.778 1.00 0.00 C ATOM 1019 O ARG A 68 4.016 -0.923 1.721 1.00 0.00 O ATOM 1020 CB ARG A 68 4.203 -2.033 4.663 1.00 0.00 C ATOM 1021 CG ARG A 68 4.434 -1.672 6.131 1.00 0.00 C ATOM 1022 CD ARG A 68 5.329 -0.438 6.221 1.00 0.00 C ATOM 1023 NE ARG A 68 6.033 -0.364 7.505 1.00 0.00 N ATOM 1024 CZ ARG A 68 7.057 0.456 7.752 1.00 0.00 C ATOM 1025 NH1 ARG A 68 7.558 1.182 6.763 1.00 0.00 N ATOM 1026 NH2 ARG A 68 7.547 0.576 8.977 1.00 0.00 N ATOM 0 H ARG A 68 2.553 -2.648 2.587 1.00 0.00 H new ATOM 0 HA ARG A 68 2.740 -0.486 4.663 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.895 -3.077 4.608 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.152 -1.952 4.133 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.481 -1.479 6.623 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.898 -2.509 6.653 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.056 -0.457 5.409 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.725 0.459 6.086 1.00 0.00 H new ATOM 0 HE ARG A 68 5.721 -0.978 8.257 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.161 1.110 5.826 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.340 1.812 6.939 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.142 0.039 9.743 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.330 1.206 9.154 1.00 0.00 H new ATOM 1040 N VAL A 69 3.823 0.955 2.914 1.00 0.00 N ATOM 1041 CA VAL A 69 4.092 1.839 1.780 1.00 0.00 C ATOM 1042 C VAL A 69 5.150 2.857 2.187 1.00 0.00 C ATOM 1043 O VAL A 69 5.180 3.284 3.341 1.00 0.00 O ATOM 1044 CB VAL A 69 2.770 2.501 1.338 1.00 0.00 C ATOM 1045 CG1 VAL A 69 2.956 3.553 0.239 1.00 0.00 C ATOM 1046 CG2 VAL A 69 1.734 1.485 0.850 1.00 0.00 C ATOM 0 H VAL A 69 3.713 1.440 3.804 1.00 0.00 H new ATOM 0 HA VAL A 69 4.482 1.283 0.927 1.00 0.00 H new ATOM 0 HB VAL A 69 2.407 2.991 2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.988 3.979 -0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.614 4.344 0.600 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.399 3.086 -0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.825 2.007 0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.135 0.938 -0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.504 0.785 1.654 1.00 0.00 H new ATOM 1056 N LYS A 70 5.987 3.265 1.223 1.00 0.00 N ATOM 1057 CA LYS A 70 6.983 4.326 1.371 1.00 0.00 C ATOM 1058 C LYS A 70 6.613 5.548 0.523 1.00 0.00 C ATOM 1059 O LYS A 70 6.615 6.658 1.044 1.00 0.00 O ATOM 1060 CB LYS A 70 8.383 3.747 1.064 1.00 0.00 C ATOM 1061 CG LYS A 70 9.436 4.827 0.765 1.00 0.00 C ATOM 1062 CD LYS A 70 10.879 4.441 1.113 1.00 0.00 C ATOM 1063 CE LYS A 70 11.108 4.502 2.630 1.00 0.00 C ATOM 1064 NZ LYS A 70 12.539 4.435 2.982 1.00 0.00 N ATOM 0 H LYS A 70 5.986 2.850 0.291 1.00 0.00 H new ATOM 0 HA LYS A 70 7.003 4.690 2.398 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.716 3.150 1.913 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.311 3.074 0.210 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.388 5.076 -0.295 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.175 5.730 1.316 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.089 3.435 0.749 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.572 5.114 0.608 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.682 5.425 3.023 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.579 3.678 3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.645 4.480 4.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.941 3.543 2.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.041 5.236 2.548 1.00 0.00 H new ATOM 1078 N CYS A 71 6.263 5.331 -0.748 1.00 0.00 N ATOM 1079 CA CYS A 71 6.129 6.317 -1.823 1.00 0.00 C ATOM 1080 C CYS A 71 7.426 7.085 -2.143 1.00 0.00 C ATOM 1081 O CYS A 71 8.241 7.363 -1.258 1.00 0.00 O ATOM 1082 CB CYS A 71 4.994 7.310 -1.541 1.00 0.00 C ATOM 1083 SG CYS A 71 3.421 6.436 -1.377 1.00 0.00 S ATOM 0 H CYS A 71 6.050 4.389 -1.077 1.00 0.00 H new ATOM 0 HA CYS A 71 5.888 5.728 -2.708 1.00 0.00 H new ATOM 0 HB2 CYS A 71 5.206 7.865 -0.627 1.00 0.00 H new ATOM 0 HB3 CYS A 71 4.930 8.039 -2.349 1.00 0.00 H new ATOM 0 HG CYS A 71 2.472 7.292 -1.136 1.00 0.00 H new ATOM 1089 N PRO A 72 7.607 7.495 -3.411 1.00 0.00 N ATOM 1090 CA PRO A 72 8.586 8.500 -3.771 1.00 0.00 C ATOM 1091 C PRO A 72 8.031 9.895 -3.460 1.00 0.00 C ATOM 1092 O PRO A 72 6.815 10.072 -3.318 1.00 0.00 O ATOM 1093 CB PRO A 72 8.820 8.300 -5.268 1.00 0.00 C ATOM 1094 CG PRO A 72 7.475 7.793 -5.780 1.00 0.00 C ATOM 1095 CD PRO A 72 6.919 7.009 -4.597 1.00 0.00 C ATOM 0 HA PRO A 72 9.519 8.410 -3.214 1.00 0.00 H new ATOM 0 HB2 PRO A 72 9.109 9.231 -5.756 1.00 0.00 H new ATOM 0 HB3 PRO A 72 9.617 7.581 -5.456 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.817 8.615 -6.062 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.592 7.162 -6.661 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.843 7.156 -4.507 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.085 5.940 -4.729 1.00 0.00 H new ATOM 1103 N PRO A 73 8.888 10.928 -3.470 1.00 0.00 N ATOM 1104 CA PRO A 73 8.471 12.306 -3.230 1.00 0.00 C ATOM 1105 C PRO A 73 7.596 12.870 -4.366 1.00 0.00 C ATOM 1106 O PRO A 73 7.077 13.985 -4.262 1.00 0.00 O ATOM 1107 CB PRO A 73 9.780 13.074 -3.044 1.00 0.00 C ATOM 1108 CG PRO A 73 10.810 12.286 -3.852 1.00 0.00 C ATOM 1109 CD PRO A 73 10.304 10.849 -3.809 1.00 0.00 C ATOM 0 HA PRO A 73 7.827 12.391 -2.355 1.00 0.00 H new ATOM 0 HB2 PRO A 73 9.693 14.099 -3.406 1.00 0.00 H new ATOM 0 HB3 PRO A 73 10.060 13.130 -1.992 1.00 0.00 H new ATOM 0 HG2 PRO A 73 10.878 12.653 -4.876 1.00 0.00 H new ATOM 0 HG3 PRO A 73 11.806 12.370 -3.417 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.447 10.357 -4.771 1.00 0.00 H new ATOM 0 HD3 PRO A 73 10.850 10.266 -3.068 1.00 0.00 H new ATOM 1117 N THR A 74 7.404 12.099 -5.431 1.00 0.00 N ATOM 1118 CA THR A 74 6.795 12.450 -6.701 1.00 0.00 C ATOM 1119 C THR A 74 5.468 11.708 -6.933 1.00 0.00 C ATOM 1120 O THR A 74 4.787 11.976 -7.913 1.00 0.00 O ATOM 1121 CB THR A 74 7.850 12.176 -7.793 1.00 0.00 C ATOM 1122 OG1 THR A 74 8.546 10.981 -7.473 1.00 0.00 O ATOM 1123 CG2 THR A 74 8.883 13.306 -7.854 1.00 0.00 C ATOM 0 H THR A 74 7.700 11.123 -5.422 1.00 0.00 H new ATOM 0 HA THR A 74 6.514 13.503 -6.720 1.00 0.00 H new ATOM 0 HB THR A 74 7.335 12.098 -8.750 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.217 10.799 -8.163 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.615 13.088 -8.632 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.381 14.246 -8.082 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.389 13.389 -6.892 1.00 0.00 H new ATOM 1131 N TYR A 75 5.046 10.810 -6.035 1.00 0.00 N ATOM 1132 CA TYR A 75 3.749 10.135 -6.133 1.00 0.00 C ATOM 1133 C TYR A 75 2.614 11.169 -6.222 1.00 0.00 C ATOM 1134 O TYR A 75 2.661 12.124 -5.445 1.00 0.00 O ATOM 1135 CB TYR A 75 3.603 9.229 -4.900 1.00 0.00 C ATOM 1136 CG TYR A 75 2.197 8.742 -4.613 1.00 0.00 C ATOM 1137 CD1 TYR A 75 1.257 9.586 -3.995 1.00 0.00 C ATOM 1138 CD2 TYR A 75 1.819 7.443 -4.979 1.00 0.00 C ATOM 1139 CE1 TYR A 75 -0.062 9.157 -3.796 1.00 0.00 C ATOM 1140 CE2 TYR A 75 0.513 6.988 -4.735 1.00 0.00 C ATOM 1141 CZ TYR A 75 -0.452 7.860 -4.180 1.00 0.00 C ATOM 1142 OH TYR A 75 -1.750 7.469 -4.030 1.00 0.00 O ATOM 0 H TYR A 75 5.594 10.532 -5.221 1.00 0.00 H new ATOM 0 HA TYR A 75 3.691 9.529 -7.037 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.250 8.362 -5.029 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.967 9.771 -4.027 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.554 10.573 -3.671 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.536 6.788 -5.451 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -0.782 9.824 -3.346 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.245 5.969 -4.972 1.00 0.00 H new ATOM 0 HH TYR A 75 -2.313 8.256 -3.876 1.00 0.00 H new ATOM 1152 N PRO A 76 1.563 11.006 -7.052 1.00 0.00 N ATOM 1153 CA PRO A 76 1.263 9.869 -7.927 1.00 0.00 C ATOM 1154 C PRO A 76 1.850 9.989 -9.348 1.00 0.00 C ATOM 1155 O PRO A 76 1.604 9.104 -10.172 1.00 0.00 O ATOM 1156 CB PRO A 76 -0.269 9.847 -7.990 1.00 0.00 C ATOM 1157 CG PRO A 76 -0.624 11.333 -7.980 1.00 0.00 C ATOM 1158 CD PRO A 76 0.418 11.911 -7.022 1.00 0.00 C ATOM 0 HA PRO A 76 1.712 8.958 -7.530 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.631 9.350 -8.890 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.702 9.321 -7.139 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -0.552 11.775 -8.974 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -1.641 11.506 -7.627 1.00 0.00 H new ATOM 0 HD2 PRO A 76 0.710 12.915 -7.328 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.014 11.991 -6.013 1.00 0.00 H new ATOM 1166 N ASP A 77 2.606 11.058 -9.652 1.00 0.00 N ATOM 1167 CA ASP A 77 3.243 11.296 -10.961 1.00 0.00 C ATOM 1168 C ASP A 77 4.122 10.109 -11.350 1.00 0.00 C ATOM 1169 O ASP A 77 4.215 9.741 -12.520 1.00 0.00 O ATOM 1170 CB ASP A 77 4.085 12.583 -10.894 1.00 0.00 C ATOM 1171 CG ASP A 77 4.641 13.115 -12.217 1.00 0.00 C ATOM 1172 OD1 ASP A 77 5.542 12.490 -12.825 1.00 0.00 O ATOM 1173 OD2 ASP A 77 4.353 14.291 -12.538 1.00 0.00 O ATOM 0 H ASP A 77 2.796 11.800 -8.978 1.00 0.00 H new ATOM 0 HA ASP A 77 2.469 11.411 -11.719 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.474 13.365 -10.443 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.923 12.406 -10.220 1.00 0.00 H new ATOM 1178 N VAL A 78 4.700 9.432 -10.356 1.00 0.00 N ATOM 1179 CA VAL A 78 5.248 8.098 -10.524 1.00 0.00 C ATOM 1180 C VAL A 78 4.772 7.202 -9.393 1.00 0.00 C ATOM 1181 O VAL A 78 4.285 7.649 -8.349 1.00 0.00 O ATOM 1182 CB VAL A 78 6.770 8.172 -10.729 1.00 0.00 C ATOM 1183 CG1 VAL A 78 7.496 8.941 -9.619 1.00 0.00 C ATOM 1184 CG2 VAL A 78 7.481 6.840 -10.969 1.00 0.00 C ATOM 0 H VAL A 78 4.798 9.801 -9.410 1.00 0.00 H new ATOM 0 HA VAL A 78 4.874 7.626 -11.433 1.00 0.00 H new ATOM 0 HB VAL A 78 6.838 8.729 -11.663 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.566 8.955 -9.826 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.121 9.964 -9.580 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.318 8.452 -8.661 1.00 0.00 H new ATOM 0 HG21 VAL A 78 8.549 7.016 -11.100 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.323 6.184 -10.113 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.078 6.369 -11.866 1.00 0.00 H new ATOM 1194 N VAL A 79 4.863 5.912 -9.665 1.00 0.00 N ATOM 1195 CA VAL A 79 4.281 4.862 -8.849 1.00 0.00 C ATOM 1196 C VAL A 79 4.852 4.841 -7.420 1.00 0.00 C ATOM 1197 O VAL A 79 6.052 5.056 -7.219 1.00 0.00 O ATOM 1198 CB VAL A 79 4.416 3.497 -9.552 1.00 0.00 C ATOM 1199 CG1 VAL A 79 3.340 3.361 -10.628 1.00 0.00 C ATOM 1200 CG2 VAL A 79 5.774 3.236 -10.220 1.00 0.00 C ATOM 0 H VAL A 79 5.358 5.557 -10.483 1.00 0.00 H new ATOM 0 HA VAL A 79 3.219 5.079 -8.738 1.00 0.00 H new ATOM 0 HB VAL A 79 4.308 2.764 -8.753 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.440 2.395 -11.122 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.354 3.434 -10.168 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.457 4.158 -11.363 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.767 2.251 -10.686 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.957 3.995 -10.980 1.00 0.00 H new ATOM 0 HG23 VAL A 79 6.563 3.277 -9.469 1.00 0.00 H new ATOM 1210 N PRO A 80 4.019 4.541 -6.405 1.00 0.00 N ATOM 1211 CA PRO A 80 4.492 4.309 -5.051 1.00 0.00 C ATOM 1212 C PRO A 80 5.251 2.985 -4.990 1.00 0.00 C ATOM 1213 O PRO A 80 4.912 2.047 -5.716 1.00 0.00 O ATOM 1214 CB PRO A 80 3.235 4.261 -4.180 1.00 0.00 C ATOM 1215 CG PRO A 80 2.154 3.757 -5.134 1.00 0.00 C ATOM 1216 CD PRO A 80 2.592 4.271 -6.502 1.00 0.00 C ATOM 0 HA PRO A 80 5.176 5.086 -4.711 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.362 3.592 -3.329 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.988 5.244 -3.778 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.087 2.669 -5.120 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.171 4.141 -4.860 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.389 3.532 -7.277 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.044 5.174 -6.771 1.00 0.00 H new ATOM 1224 N GLU A 81 6.221 2.869 -4.078 1.00 0.00 N ATOM 1225 CA GLU A 81 6.687 1.555 -3.676 1.00 0.00 C ATOM 1226 C GLU A 81 5.586 0.860 -2.871 1.00 0.00 C ATOM 1227 O GLU A 81 4.745 1.510 -2.236 1.00 0.00 O ATOM 1228 CB GLU A 81 7.982 1.635 -2.854 1.00 0.00 C ATOM 1229 CG GLU A 81 8.880 0.470 -3.281 1.00 0.00 C ATOM 1230 CD GLU A 81 10.062 0.258 -2.343 1.00 0.00 C ATOM 1231 OE1 GLU A 81 11.081 0.966 -2.490 1.00 0.00 O ATOM 1232 OE2 GLU A 81 9.998 -0.669 -1.506 1.00 0.00 O ATOM 0 H GLU A 81 6.684 3.653 -3.618 1.00 0.00 H new ATOM 0 HA GLU A 81 6.913 0.979 -4.573 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.485 2.587 -3.025 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.762 1.577 -1.788 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.287 -0.443 -3.322 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.251 0.654 -4.289 1.00 0.00 H new ATOM 1239 N ILE A 82 5.627 -0.467 -2.868 1.00 0.00 N ATOM 1240 CA ILE A 82 4.635 -1.343 -2.276 1.00 0.00 C ATOM 1241 C ILE A 82 5.426 -2.426 -1.536 1.00 0.00 C ATOM 1242 O ILE A 82 6.344 -3.035 -2.095 1.00 0.00 O ATOM 1243 CB ILE A 82 3.744 -1.907 -3.411 1.00 0.00 C ATOM 1244 CG1 ILE A 82 2.870 -0.823 -4.091 1.00 0.00 C ATOM 1245 CG2 ILE A 82 2.838 -3.059 -2.932 1.00 0.00 C ATOM 1246 CD1 ILE A 82 2.469 -1.152 -5.536 1.00 0.00 C ATOM 0 H ILE A 82 6.393 -0.983 -3.301 1.00 0.00 H new ATOM 0 HA ILE A 82 3.967 -0.844 -1.574 1.00 0.00 H new ATOM 0 HB ILE A 82 4.447 -2.293 -4.149 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.966 -0.677 -3.499 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.412 0.123 -4.083 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.234 -3.418 -3.766 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.455 -3.874 -2.553 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.183 -2.701 -2.138 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.859 -0.343 -5.938 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.366 -1.268 -6.145 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.897 -2.080 -5.553 1.00 0.00 H new ATOM 1258 N ASP A 83 5.067 -2.686 -0.285 1.00 0.00 N ATOM 1259 CA ASP A 83 5.486 -3.827 0.512 1.00 0.00 C ATOM 1260 C ASP A 83 4.202 -4.551 0.908 1.00 0.00 C ATOM 1261 O ASP A 83 3.212 -3.894 1.250 1.00 0.00 O ATOM 1262 CB ASP A 83 6.184 -3.403 1.811 1.00 0.00 C ATOM 1263 CG ASP A 83 7.315 -2.385 1.695 1.00 0.00 C ATOM 1264 OD1 ASP A 83 8.252 -2.631 0.905 1.00 0.00 O ATOM 1265 OD2 ASP A 83 7.345 -1.414 2.493 1.00 0.00 O ATOM 0 H ASP A 83 4.438 -2.068 0.228 1.00 0.00 H new ATOM 0 HA ASP A 83 6.184 -4.434 -0.065 1.00 0.00 H new ATOM 0 HB2 ASP A 83 5.429 -2.994 2.482 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.583 -4.298 2.288 1.00 0.00 H new ATOM 1270 N LEU A 84 4.221 -5.885 0.926 1.00 0.00 N ATOM 1271 CA LEU A 84 3.228 -6.676 1.651 1.00 0.00 C ATOM 1272 C LEU A 84 3.982 -7.363 2.785 1.00 0.00 C ATOM 1273 O LEU A 84 4.864 -8.180 2.518 1.00 0.00 O ATOM 1274 CB LEU A 84 2.537 -7.725 0.762 1.00 0.00 C ATOM 1275 CG LEU A 84 1.543 -7.281 -0.334 1.00 0.00 C ATOM 1276 CD1 LEU A 84 0.917 -5.899 -0.132 1.00 0.00 C ATOM 1277 CD2 LEU A 84 2.218 -7.294 -1.701 1.00 0.00 C ATOM 0 H LEU A 84 4.922 -6.444 0.440 1.00 0.00 H new ATOM 0 HA LEU A 84 2.432 -6.026 2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.322 -8.301 0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.005 -8.409 1.423 1.00 0.00 H new ATOM 0 HG LEU A 84 0.733 -8.007 -0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.236 -5.684 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.366 -5.883 0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.703 -5.144 -0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.504 -6.979 -2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.067 -6.610 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.566 -8.302 -1.925 1.00 0.00 H new ATOM 1289 N LYS A 85 3.697 -7.004 4.034 1.00 0.00 N ATOM 1290 CA LYS A 85 4.298 -7.599 5.227 1.00 0.00 C ATOM 1291 C LYS A 85 3.241 -8.440 5.925 1.00 0.00 C ATOM 1292 O LYS A 85 2.046 -8.280 5.671 1.00 0.00 O ATOM 1293 CB LYS A 85 4.791 -6.512 6.199 1.00 0.00 C ATOM 1294 CG LYS A 85 5.848 -5.548 5.624 1.00 0.00 C ATOM 1295 CD LYS A 85 7.254 -5.749 6.207 1.00 0.00 C ATOM 1296 CE LYS A 85 8.144 -4.570 5.791 1.00 0.00 C ATOM 1297 NZ LYS A 85 9.421 -4.509 6.532 1.00 0.00 N ATOM 0 H LYS A 85 3.023 -6.270 4.251 1.00 0.00 H new ATOM 0 HA LYS A 85 5.152 -8.207 4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 85 3.933 -5.928 6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.207 -6.998 7.081 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.892 -5.675 4.542 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.531 -4.522 5.811 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.204 -5.817 7.294 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.679 -6.686 5.848 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.355 -4.642 4.724 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.598 -3.640 5.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.974 -3.692 6.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.228 -4.411 7.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.961 -5.382 6.365 1.00 0.00 H new ATOM 1311 N ASN A 86 3.680 -9.257 6.882 1.00 0.00 N ATOM 1312 CA ASN A 86 2.857 -10.057 7.785 1.00 0.00 C ATOM 1313 C ASN A 86 1.631 -10.656 7.083 1.00 0.00 C ATOM 1314 O ASN A 86 0.501 -10.508 7.551 1.00 0.00 O ATOM 1315 CB ASN A 86 2.440 -9.255 9.032 1.00 0.00 C ATOM 1316 CG ASN A 86 3.584 -8.691 9.858 1.00 0.00 C ATOM 1317 OD1 ASN A 86 4.706 -9.191 9.833 1.00 0.00 O ATOM 1318 ND2 ASN A 86 3.324 -7.657 10.632 1.00 0.00 N ATOM 0 H ASN A 86 4.677 -9.385 7.057 1.00 0.00 H new ATOM 0 HA ASN A 86 3.479 -10.890 8.112 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.802 -8.430 8.716 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.836 -9.898 9.671 1.00 0.00 H new ATOM 0 HD21 ASN A 86 4.058 -7.262 11.220 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.388 -7.251 10.644 1.00 0.00 H new ATOM 1325 N ALA A 87 1.801 -11.333 5.950 1.00 0.00 N ATOM 1326 CA ALA A 87 0.687 -12.054 5.354 1.00 0.00 C ATOM 1327 C ALA A 87 0.380 -13.290 6.218 1.00 0.00 C ATOM 1328 O ALA A 87 1.278 -13.845 6.857 1.00 0.00 O ATOM 1329 CB ALA A 87 1.021 -12.387 3.905 1.00 0.00 C ATOM 0 H ALA A 87 2.681 -11.396 5.438 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.218 -11.448 5.331 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.188 -12.928 3.455 1.00 0.00 H new ATOM 0 HB2 ALA A 87 1.197 -11.465 3.351 1.00 0.00 H new ATOM 0 HB3 ALA A 87 1.917 -13.007 3.871 1.00 0.00 H new ATOM 1335 N LYS A 88 -0.891 -13.706 6.299 1.00 0.00 N ATOM 1336 CA LYS A 88 -1.308 -14.858 7.101 1.00 0.00 C ATOM 1337 C LYS A 88 -1.288 -16.114 6.230 1.00 0.00 C ATOM 1338 O LYS A 88 -0.212 -16.651 5.947 1.00 0.00 O ATOM 1339 CB LYS A 88 -2.650 -14.543 7.782 1.00 0.00 C ATOM 1340 CG LYS A 88 -3.072 -15.632 8.780 1.00 0.00 C ATOM 1341 CD LYS A 88 -2.838 -15.236 10.245 1.00 0.00 C ATOM 1342 CE LYS A 88 -4.051 -14.475 10.785 1.00 0.00 C ATOM 1343 NZ LYS A 88 -3.904 -14.117 12.205 1.00 0.00 N ATOM 0 H LYS A 88 -1.659 -13.250 5.807 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.614 -15.063 7.916 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.575 -13.588 8.302 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.423 -14.432 7.021 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.129 -15.857 8.636 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.519 -16.546 8.565 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.661 -16.127 10.847 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.945 -14.616 10.324 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -4.198 -13.568 10.198 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.945 -15.085 10.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.751 -13.604 12.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.791 -14.982 12.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.067 -13.512 12.326 1.00 0.00 H new ATOM 1357 N GLY A 89 -2.456 -16.534 5.744 1.00 0.00 N ATOM 1358 CA GLY A 89 -2.672 -17.673 4.858 1.00 0.00 C ATOM 1359 C GLY A 89 -1.937 -17.584 3.514 1.00 0.00 C ATOM 1360 O GLY A 89 -2.080 -18.482 2.687 1.00 0.00 O ATOM 0 H GLY A 89 -3.328 -16.058 5.974 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.355 -18.581 5.371 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.741 -17.771 4.667 1.00 0.00 H new ATOM 1364 N LEU A 90 -1.178 -16.515 3.249 1.00 0.00 N ATOM 1365 CA LEU A 90 -0.359 -16.344 2.079 1.00 0.00 C ATOM 1366 C LEU A 90 1.043 -16.296 2.669 1.00 0.00 C ATOM 1367 O LEU A 90 1.618 -15.217 2.788 1.00 0.00 O ATOM 1368 CB LEU A 90 -0.783 -15.039 1.364 1.00 0.00 C ATOM 1369 CG LEU A 90 -2.224 -15.055 0.874 1.00 0.00 C ATOM 1370 CD1 LEU A 90 -2.556 -13.623 0.456 1.00 0.00 C ATOM 1371 CD2 LEU A 90 -2.370 -16.112 -0.225 1.00 0.00 C ATOM 0 H LEU A 90 -1.127 -15.718 3.883 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.439 -17.121 1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.649 -14.200 2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.121 -14.868 0.515 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.946 -15.348 1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.583 -13.578 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.443 -12.959 1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.878 -13.309 -0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.400 -16.128 -0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.705 -15.870 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.109 -17.092 0.175 1.00 0.00 H new ATOM 1383 N SER A 91 1.595 -17.435 3.070 1.00 0.00 N ATOM 1384 CA SER A 91 2.819 -17.468 3.853 1.00 0.00 C ATOM 1385 C SER A 91 4.053 -17.317 2.937 1.00 0.00 C ATOM 1386 O SER A 91 4.703 -18.306 2.601 1.00 0.00 O ATOM 1387 CB SER A 91 2.798 -18.743 4.709 1.00 0.00 C ATOM 1388 OG SER A 91 1.534 -18.910 5.346 1.00 0.00 O ATOM 0 H SER A 91 1.208 -18.355 2.862 1.00 0.00 H new ATOM 0 HA SER A 91 2.887 -16.622 4.538 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.011 -19.609 4.083 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.585 -18.693 5.462 1.00 0.00 H new ATOM 0 HG SER A 91 1.128 -18.032 5.502 1.00 0.00 H new ATOM 1394 N ASN A 92 4.371 -16.075 2.534 1.00 0.00 N ATOM 1395 CA ASN A 92 5.530 -15.669 1.707 1.00 0.00 C ATOM 1396 C ASN A 92 5.512 -16.206 0.258 1.00 0.00 C ATOM 1397 O ASN A 92 6.433 -15.980 -0.525 1.00 0.00 O ATOM 1398 CB ASN A 92 6.832 -15.937 2.485 1.00 0.00 C ATOM 1399 CG ASN A 92 8.102 -15.596 1.716 1.00 0.00 C ATOM 1400 OD1 ASN A 92 8.295 -14.460 1.285 1.00 0.00 O ATOM 1401 ND2 ASN A 92 8.999 -16.555 1.571 1.00 0.00 N ATOM 0 H ASN A 92 3.792 -15.275 2.791 1.00 0.00 H new ATOM 0 HA ASN A 92 5.461 -14.595 1.537 1.00 0.00 H new ATOM 0 HB2 ASN A 92 6.815 -15.360 3.409 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.863 -16.989 2.767 1.00 0.00 H new ATOM 0 HD21 ASN A 92 9.878 -16.362 1.091 1.00 0.00 H new ATOM 0 HD22 ASN A 92 8.812 -17.488 1.939 1.00 0.00 H new ATOM 1408 N GLU A 93 4.418 -16.836 -0.151 1.00 0.00 N ATOM 1409 CA GLU A 93 4.151 -17.304 -1.502 1.00 0.00 C ATOM 1410 C GLU A 93 3.578 -16.159 -2.360 1.00 0.00 C ATOM 1411 O GLU A 93 4.317 -15.241 -2.735 1.00 0.00 O ATOM 1412 CB GLU A 93 3.201 -18.511 -1.434 1.00 0.00 C ATOM 1413 CG GLU A 93 3.710 -19.689 -0.613 1.00 0.00 C ATOM 1414 CD GLU A 93 2.530 -20.519 -0.117 1.00 0.00 C ATOM 1415 OE1 GLU A 93 1.968 -20.206 0.959 1.00 0.00 O ATOM 1416 OE2 GLU A 93 2.189 -21.512 -0.799 1.00 0.00 O ATOM 0 H GLU A 93 3.651 -17.045 0.488 1.00 0.00 H new ATOM 0 HA GLU A 93 5.076 -17.625 -1.980 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.249 -18.182 -1.017 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.002 -18.855 -2.449 1.00 0.00 H new ATOM 0 HG2 GLU A 93 4.373 -20.307 -1.219 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.295 -19.329 0.233 1.00 0.00 H new ATOM 1423 N SER A 94 2.253 -16.171 -2.580 1.00 0.00 N ATOM 1424 CA SER A 94 1.359 -15.181 -3.168 1.00 0.00 C ATOM 1425 C SER A 94 1.570 -13.734 -2.720 1.00 0.00 C ATOM 1426 O SER A 94 1.004 -12.823 -3.325 1.00 0.00 O ATOM 1427 CB SER A 94 -0.101 -15.629 -3.061 1.00 0.00 C ATOM 1428 OG SER A 94 -0.872 -14.689 -2.347 1.00 0.00 O ATOM 0 H SER A 94 1.718 -16.996 -2.308 1.00 0.00 H new ATOM 0 HA SER A 94 1.637 -15.146 -4.221 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.518 -15.761 -4.060 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.151 -16.598 -2.564 1.00 0.00 H new ATOM 0 HG SER A 94 -1.566 -14.322 -2.933 1.00 0.00 H new ATOM 1434 N VAL A 95 2.357 -13.486 -1.681 1.00 0.00 N ATOM 1435 CA VAL A 95 2.816 -12.146 -1.369 1.00 0.00 C ATOM 1436 C VAL A 95 3.474 -11.581 -2.632 1.00 0.00 C ATOM 1437 O VAL A 95 3.133 -10.492 -3.077 1.00 0.00 O ATOM 1438 CB VAL A 95 3.804 -12.224 -0.185 1.00 0.00 C ATOM 1439 CG1 VAL A 95 4.140 -10.856 0.396 1.00 0.00 C ATOM 1440 CG2 VAL A 95 3.252 -13.134 0.921 1.00 0.00 C ATOM 0 H VAL A 95 2.691 -14.204 -1.038 1.00 0.00 H new ATOM 0 HA VAL A 95 1.999 -11.488 -1.073 1.00 0.00 H new ATOM 0 HB VAL A 95 4.727 -12.645 -0.582 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.838 -10.974 1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.594 -10.235 -0.376 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.228 -10.379 0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.963 -13.176 1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.303 -12.736 1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.098 -14.137 0.524 1.00 0.00 H new ATOM 1450 N ASN A 96 4.328 -12.389 -3.263 1.00 0.00 N ATOM 1451 CA ASN A 96 5.070 -12.073 -4.472 1.00 0.00 C ATOM 1452 C ASN A 96 4.133 -11.937 -5.666 1.00 0.00 C ATOM 1453 O ASN A 96 4.379 -11.087 -6.523 1.00 0.00 O ATOM 1454 CB ASN A 96 6.091 -13.185 -4.765 1.00 0.00 C ATOM 1455 CG ASN A 96 7.192 -13.276 -3.718 1.00 0.00 C ATOM 1456 OD1 ASN A 96 8.317 -12.833 -3.934 1.00 0.00 O ATOM 1457 ND2 ASN A 96 6.917 -13.849 -2.559 1.00 0.00 N ATOM 0 H ASN A 96 4.527 -13.329 -2.922 1.00 0.00 H new ATOM 0 HA ASN A 96 5.584 -11.125 -4.314 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.571 -14.142 -4.821 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.541 -13.009 -5.742 1.00 0.00 H new ATOM 0 HD21 ASN A 96 7.639 -13.924 -1.843 1.00 0.00 H new ATOM 0 HD22 ASN A 96 5.982 -14.216 -2.381 1.00 0.00 H new ATOM 1464 N LEU A 97 3.054 -12.734 -5.724 1.00 0.00 N ATOM 1465 CA LEU A 97 2.048 -12.612 -6.766 1.00 0.00 C ATOM 1466 C LEU A 97 1.438 -11.228 -6.654 1.00 0.00 C ATOM 1467 O LEU A 97 1.460 -10.440 -7.594 1.00 0.00 O ATOM 1468 CB LEU A 97 0.991 -13.705 -6.555 1.00 0.00 C ATOM 1469 CG LEU A 97 -0.151 -13.725 -7.574 1.00 0.00 C ATOM 1470 CD1 LEU A 97 -0.835 -15.076 -7.355 1.00 0.00 C ATOM 1471 CD2 LEU A 97 -1.171 -12.611 -7.349 1.00 0.00 C ATOM 0 H LEU A 97 2.864 -13.475 -5.049 1.00 0.00 H new ATOM 0 HA LEU A 97 2.475 -12.737 -7.761 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.488 -14.675 -6.574 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.564 -13.585 -5.559 1.00 0.00 H new ATOM 0 HG LEU A 97 0.238 -13.577 -8.582 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.671 -15.177 -8.047 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.119 -15.879 -7.531 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.203 -15.136 -6.331 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.955 -12.678 -8.103 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.611 -12.715 -6.357 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.676 -11.643 -7.426 1.00 0.00 H new ATOM 1483 N LEU A 98 0.883 -10.934 -5.480 1.00 0.00 N ATOM 1484 CA LEU A 98 0.109 -9.734 -5.275 1.00 0.00 C ATOM 1485 C LEU A 98 1.002 -8.515 -5.415 1.00 0.00 C ATOM 1486 O LEU A 98 0.561 -7.496 -5.927 1.00 0.00 O ATOM 1487 CB LEU A 98 -0.533 -9.780 -3.887 1.00 0.00 C ATOM 1488 CG LEU A 98 -1.542 -8.638 -3.659 1.00 0.00 C ATOM 1489 CD1 LEU A 98 -2.594 -8.489 -4.766 1.00 0.00 C ATOM 1490 CD2 LEU A 98 -2.250 -8.911 -2.332 1.00 0.00 C ATOM 0 H LEU A 98 0.963 -11.526 -4.653 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.678 -9.669 -6.026 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.038 -10.737 -3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.248 -9.726 -3.128 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.981 -7.704 -3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.262 -7.662 -4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.097 -8.288 -5.715 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.171 -9.410 -4.846 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.974 -8.120 -2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.765 -9.870 -2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.516 -8.938 -1.527 1.00 0.00 H new ATOM 1502 N LYS A 99 2.270 -8.599 -5.007 1.00 0.00 N ATOM 1503 CA LYS A 99 3.181 -7.488 -5.218 1.00 0.00 C ATOM 1504 C LYS A 99 3.399 -7.278 -6.713 1.00 0.00 C ATOM 1505 O LYS A 99 3.300 -6.148 -7.181 1.00 0.00 O ATOM 1506 CB LYS A 99 4.476 -7.673 -4.405 1.00 0.00 C ATOM 1507 CG LYS A 99 4.906 -6.314 -3.840 1.00 0.00 C ATOM 1508 CD LYS A 99 5.768 -6.376 -2.571 1.00 0.00 C ATOM 1509 CE LYS A 99 7.228 -6.258 -3.003 1.00 0.00 C ATOM 1510 NZ LYS A 99 8.155 -5.790 -1.954 1.00 0.00 N ATOM 0 H LYS A 99 2.677 -9.409 -4.539 1.00 0.00 H new ATOM 0 HA LYS A 99 2.741 -6.565 -4.839 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.314 -8.384 -3.595 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.263 -8.084 -5.038 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.460 -5.777 -4.610 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.012 -5.729 -3.624 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.504 -5.569 -1.888 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.600 -7.312 -2.038 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.566 -7.232 -3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.286 -5.574 -3.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 9.120 -5.742 -2.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.864 -4.846 -1.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.135 -6.452 -1.153 1.00 0.00 H new ATOM 1524 N SER A 100 3.596 -8.339 -7.490 1.00 0.00 N ATOM 1525 CA SER A 100 3.668 -8.218 -8.941 1.00 0.00 C ATOM 1526 C SER A 100 2.401 -7.586 -9.544 1.00 0.00 C ATOM 1527 O SER A 100 2.496 -6.858 -10.536 1.00 0.00 O ATOM 1528 CB SER A 100 3.904 -9.598 -9.553 1.00 0.00 C ATOM 1529 OG SER A 100 5.064 -10.217 -9.024 1.00 0.00 O ATOM 0 H SER A 100 3.708 -9.290 -7.139 1.00 0.00 H new ATOM 0 HA SER A 100 4.499 -7.552 -9.176 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.037 -10.231 -9.366 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.003 -9.504 -10.634 1.00 0.00 H new ATOM 0 HG SER A 100 4.849 -10.632 -8.163 1.00 0.00 H new ATOM 1535 N HIS A 101 1.224 -7.846 -8.964 1.00 0.00 N ATOM 1536 CA HIS A 101 -0.054 -7.314 -9.424 1.00 0.00 C ATOM 1537 C HIS A 101 -0.142 -5.825 -9.096 1.00 0.00 C ATOM 1538 O HIS A 101 -0.366 -4.995 -9.974 1.00 0.00 O ATOM 1539 CB HIS A 101 -1.199 -8.102 -8.769 1.00 0.00 C ATOM 1540 CG HIS A 101 -1.470 -9.451 -9.384 1.00 0.00 C ATOM 1541 ND1 HIS A 101 -0.590 -10.226 -10.085 1.00 0.00 N flip ATOM 1542 CD2 HIS A 101 -2.670 -10.120 -9.352 1.00 0.00 C flip ATOM 1543 CE1 HIS A 101 -1.269 -11.369 -10.521 1.00 0.00 C flip ATOM 1544 NE2 HIS A 101 -2.520 -11.266 -10.033 1.00 0.00 N flip ATOM 0 H HIS A 101 1.137 -8.446 -8.144 1.00 0.00 H new ATOM 0 HA HIS A 101 -0.137 -7.424 -10.505 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -0.969 -8.240 -7.712 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -2.109 -7.505 -8.822 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -3.573 -9.783 -8.865 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -0.871 -12.171 -11.126 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -3.253 -11.964 -10.163 1.00 0.00 H new ATOM 1552 N LEU A 102 0.091 -5.460 -7.837 1.00 0.00 N ATOM 1553 CA LEU A 102 0.034 -4.085 -7.353 1.00 0.00 C ATOM 1554 C LEU A 102 1.090 -3.217 -8.024 1.00 0.00 C ATOM 1555 O LEU A 102 0.823 -2.042 -8.273 1.00 0.00 O ATOM 1556 CB LEU A 102 0.138 -4.058 -5.828 1.00 0.00 C ATOM 1557 CG LEU A 102 -1.011 -4.771 -5.113 1.00 0.00 C ATOM 1558 CD1 LEU A 102 -0.688 -4.812 -3.617 1.00 0.00 C ATOM 1559 CD2 LEU A 102 -2.352 -4.066 -5.348 1.00 0.00 C ATOM 0 H LEU A 102 0.331 -6.131 -7.107 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.931 -3.657 -7.624 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.080 -4.519 -5.530 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.172 -3.021 -5.495 1.00 0.00 H new ATOM 0 HG LEU A 102 -1.109 -5.780 -5.513 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.494 -5.317 -3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.245 -5.354 -3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.584 -3.795 -3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.142 -4.603 -4.824 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.297 -3.044 -4.972 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.572 -4.049 -6.415 1.00 0.00 H new ATOM 1571 N GLU A 103 2.251 -3.781 -8.371 1.00 0.00 N ATOM 1572 CA GLU A 103 3.279 -3.047 -9.105 1.00 0.00 C ATOM 1573 C GLU A 103 2.765 -2.649 -10.490 1.00 0.00 C ATOM 1574 O GLU A 103 3.183 -1.618 -11.019 1.00 0.00 O ATOM 1575 CB GLU A 103 4.582 -3.860 -9.250 1.00 0.00 C ATOM 1576 CG GLU A 103 5.508 -3.764 -8.025 1.00 0.00 C ATOM 1577 CD GLU A 103 6.975 -3.587 -8.405 1.00 0.00 C ATOM 1578 OE1 GLU A 103 7.350 -2.454 -8.791 1.00 0.00 O ATOM 1579 OE2 GLU A 103 7.774 -4.544 -8.310 1.00 0.00 O ATOM 0 H GLU A 103 2.500 -4.746 -8.153 1.00 0.00 H new ATOM 0 HA GLU A 103 3.506 -2.151 -8.527 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.330 -4.906 -9.423 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.121 -3.512 -10.131 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.195 -2.925 -7.403 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.400 -4.666 -7.422 1.00 0.00 H new ATOM 1586 N GLU A 104 1.879 -3.440 -11.096 1.00 0.00 N ATOM 1587 CA GLU A 104 1.270 -3.112 -12.371 1.00 0.00 C ATOM 1588 C GLU A 104 0.054 -2.213 -12.207 1.00 0.00 C ATOM 1589 O GLU A 104 -0.063 -1.242 -12.955 1.00 0.00 O ATOM 1590 CB GLU A 104 0.901 -4.405 -13.107 1.00 0.00 C ATOM 1591 CG GLU A 104 2.170 -5.076 -13.637 1.00 0.00 C ATOM 1592 CD GLU A 104 2.894 -4.171 -14.636 1.00 0.00 C ATOM 1593 OE1 GLU A 104 2.217 -3.649 -15.557 1.00 0.00 O ATOM 1594 OE2 GLU A 104 4.106 -3.930 -14.435 1.00 0.00 O ATOM 0 H GLU A 104 1.566 -4.330 -10.708 1.00 0.00 H new ATOM 0 HA GLU A 104 1.995 -2.553 -12.963 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.375 -5.081 -12.433 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.223 -4.185 -13.931 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.835 -5.311 -12.806 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.913 -6.020 -14.117 1.00 0.00 H new ATOM 1601 N LEU A 105 -0.824 -2.482 -11.238 1.00 0.00 N ATOM 1602 CA LEU A 105 -1.988 -1.650 -10.950 1.00 0.00 C ATOM 1603 C LEU A 105 -1.561 -0.207 -10.713 1.00 0.00 C ATOM 1604 O LEU A 105 -2.142 0.714 -11.284 1.00 0.00 O ATOM 1605 CB LEU A 105 -2.739 -2.213 -9.735 1.00 0.00 C ATOM 1606 CG LEU A 105 -3.912 -1.320 -9.290 1.00 0.00 C ATOM 1607 CD1 LEU A 105 -4.952 -1.141 -10.398 1.00 0.00 C ATOM 1608 CD2 LEU A 105 -4.583 -1.947 -8.071 1.00 0.00 C ATOM 0 H LEU A 105 -0.743 -3.294 -10.626 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.661 -1.662 -11.807 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.116 -3.207 -9.976 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.042 -2.329 -8.905 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.509 -0.336 -9.049 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.760 -0.504 -10.039 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.483 -0.677 -11.266 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.355 -2.114 -10.680 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.415 -1.320 -7.751 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.955 -2.938 -8.330 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.859 -2.032 -7.261 1.00 0.00 H new ATOM 1620 N ALA A 106 -0.502 -0.014 -9.926 1.00 0.00 N ATOM 1621 CA ALA A 106 0.088 1.282 -9.668 1.00 0.00 C ATOM 1622 C ALA A 106 0.336 2.033 -10.978 1.00 0.00 C ATOM 1623 O ALA A 106 -0.038 3.196 -11.099 1.00 0.00 O ATOM 1624 CB ALA A 106 1.380 1.058 -8.882 1.00 0.00 C ATOM 0 H ALA A 106 -0.027 -0.777 -9.444 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.588 1.904 -9.081 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.849 2.019 -8.672 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.152 0.553 -7.944 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.061 0.442 -9.469 1.00 0.00 H new ATOM 1630 N LYS A 107 0.953 1.378 -11.965 1.00 0.00 N ATOM 1631 CA LYS A 107 1.295 2.003 -13.241 1.00 0.00 C ATOM 1632 C LYS A 107 0.036 2.370 -14.025 1.00 0.00 C ATOM 1633 O LYS A 107 0.005 3.437 -14.629 1.00 0.00 O ATOM 1634 CB LYS A 107 2.162 1.079 -14.087 1.00 0.00 C ATOM 1635 CG LYS A 107 3.520 0.762 -13.454 1.00 0.00 C ATOM 1636 CD LYS A 107 4.099 -0.434 -14.207 1.00 0.00 C ATOM 1637 CE LYS A 107 5.496 -0.882 -13.771 1.00 0.00 C ATOM 1638 NZ LYS A 107 5.641 -0.998 -12.305 1.00 0.00 N ATOM 0 H LYS A 107 1.229 0.398 -11.900 1.00 0.00 H new ATOM 0 HA LYS A 107 1.854 2.911 -13.018 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.624 0.147 -14.259 1.00 0.00 H new ATOM 0 HB3 LYS A 107 2.324 1.538 -15.062 1.00 0.00 H new ATOM 0 HG2 LYS A 107 4.187 1.621 -13.524 1.00 0.00 H new ATOM 0 HG3 LYS A 107 3.407 0.532 -12.395 1.00 0.00 H new ATOM 0 HD2 LYS A 107 3.416 -1.276 -14.094 1.00 0.00 H new ATOM 0 HD3 LYS A 107 4.131 -0.190 -15.269 1.00 0.00 H new ATOM 0 HE2 LYS A 107 5.721 -1.845 -14.229 1.00 0.00 H new ATOM 0 HE3 LYS A 107 6.232 -0.171 -14.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.314 -1.758 -12.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 5.993 -0.099 -11.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 4.717 -1.218 -11.881 1.00 0.00 H new ATOM 1652 N LYS A 108 -1.012 1.534 -14.000 1.00 0.00 N ATOM 1653 CA LYS A 108 -2.245 1.788 -14.743 1.00 0.00 C ATOM 1654 C LYS A 108 -2.864 3.064 -14.207 1.00 0.00 C ATOM 1655 O LYS A 108 -3.365 3.887 -14.968 1.00 0.00 O ATOM 1656 CB LYS A 108 -3.267 0.652 -14.548 1.00 0.00 C ATOM 1657 CG LYS A 108 -2.855 -0.704 -15.132 1.00 0.00 C ATOM 1658 CD LYS A 108 -3.931 -1.754 -14.817 1.00 0.00 C ATOM 1659 CE LYS A 108 -3.577 -3.164 -15.300 1.00 0.00 C ATOM 1660 NZ LYS A 108 -3.451 -3.253 -16.769 1.00 0.00 N ATOM 0 H LYS A 108 -1.024 0.666 -13.464 1.00 0.00 H new ATOM 0 HA LYS A 108 -2.000 1.863 -15.803 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.450 0.529 -13.481 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.212 0.953 -15.001 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.720 -0.620 -16.210 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.897 -1.015 -14.714 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -4.097 -1.780 -13.740 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.871 -1.447 -15.277 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.639 -3.475 -14.840 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -4.344 -3.861 -14.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.211 -4.228 -17.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -4.353 -2.984 -17.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.701 -2.610 -17.093 1.00 0.00 H new ATOM 1674 N GLN A 109 -2.828 3.193 -12.883 1.00 0.00 N ATOM 1675 CA GLN A 109 -3.505 4.227 -12.144 1.00 0.00 C ATOM 1676 C GLN A 109 -2.671 5.516 -12.073 1.00 0.00 C ATOM 1677 O GLN A 109 -3.145 6.523 -11.549 1.00 0.00 O ATOM 1678 CB GLN A 109 -3.803 3.672 -10.745 1.00 0.00 C ATOM 1679 CG GLN A 109 -4.834 2.528 -10.716 1.00 0.00 C ATOM 1680 CD GLN A 109 -6.257 2.994 -11.021 1.00 0.00 C ATOM 1681 OE1 GLN A 109 -6.955 2.378 -11.822 1.00 0.00 O ATOM 1682 NE2 GLN A 109 -6.719 4.066 -10.400 1.00 0.00 N ATOM 0 H GLN A 109 -2.306 2.553 -12.285 1.00 0.00 H new ATOM 0 HA GLN A 109 -4.432 4.500 -12.648 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -2.872 3.316 -10.304 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -4.164 4.485 -10.115 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -4.544 1.768 -11.441 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -4.816 2.056 -9.734 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -6.127 4.567 -9.737 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -7.668 4.392 -10.583 1.00 0.00 H new ATOM 1691 N CYS A 110 -1.427 5.480 -12.562 1.00 0.00 N ATOM 1692 CA CYS A 110 -0.482 6.579 -12.547 1.00 0.00 C ATOM 1693 C CYS A 110 -1.096 7.762 -13.287 1.00 0.00 C ATOM 1694 O CYS A 110 -1.322 7.701 -14.499 1.00 0.00 O ATOM 1695 CB CYS A 110 0.838 6.093 -13.147 1.00 0.00 C ATOM 1696 SG CYS A 110 2.078 7.413 -13.191 1.00 0.00 S ATOM 0 H CYS A 110 -1.043 4.641 -12.997 1.00 0.00 H new ATOM 0 HA CYS A 110 -0.264 6.921 -11.535 1.00 0.00 H new ATOM 0 HB2 CYS A 110 1.218 5.256 -12.561 1.00 0.00 H new ATOM 0 HB3 CYS A 110 0.664 5.723 -14.157 1.00 0.00 H new ATOM 0 HG CYS A 110 1.996 8.122 -12.104 1.00 0.00 H new ATOM 1702 N GLY A 111 -1.415 8.804 -12.523 1.00 0.00 N ATOM 1703 CA GLY A 111 -2.142 9.983 -12.951 1.00 0.00 C ATOM 1704 C GLY A 111 -3.117 10.433 -11.869 1.00 0.00 C ATOM 1705 O GLY A 111 -3.429 11.623 -11.804 1.00 0.00 O ATOM 0 H GLY A 111 -1.157 8.845 -11.537 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -1.442 10.788 -13.175 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.685 9.768 -13.871 1.00 0.00 H new ATOM 1709 N GLU A 112 -3.570 9.542 -10.983 1.00 0.00 N ATOM 1710 CA GLU A 112 -4.168 9.908 -9.708 1.00 0.00 C ATOM 1711 C GLU A 112 -3.858 8.831 -8.661 1.00 0.00 C ATOM 1712 O GLU A 112 -2.926 8.040 -8.820 1.00 0.00 O ATOM 1713 CB GLU A 112 -5.649 10.310 -9.852 1.00 0.00 C ATOM 1714 CG GLU A 112 -6.650 9.206 -10.221 1.00 0.00 C ATOM 1715 CD GLU A 112 -8.056 9.760 -10.505 1.00 0.00 C ATOM 1716 OE1 GLU A 112 -8.391 10.883 -10.062 1.00 0.00 O ATOM 1717 OE2 GLU A 112 -8.866 9.055 -11.162 1.00 0.00 O ATOM 0 H GLU A 112 -3.529 8.535 -11.138 1.00 0.00 H new ATOM 0 HA GLU A 112 -3.710 10.822 -9.330 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.970 10.754 -8.910 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -5.714 11.090 -10.611 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -6.289 8.671 -11.099 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.705 8.483 -9.407 1.00 0.00 H new ATOM 1724 N VAL A 113 -4.528 8.904 -7.518 1.00 0.00 N ATOM 1725 CA VAL A 113 -4.036 8.433 -6.234 1.00 0.00 C ATOM 1726 C VAL A 113 -4.361 6.957 -5.984 1.00 0.00 C ATOM 1727 O VAL A 113 -5.271 6.562 -5.260 1.00 0.00 O ATOM 1728 CB VAL A 113 -4.510 9.394 -5.141 1.00 0.00 C ATOM 1729 CG1 VAL A 113 -3.661 10.672 -5.207 1.00 0.00 C ATOM 1730 CG2 VAL A 113 -5.992 9.785 -5.271 1.00 0.00 C ATOM 0 H VAL A 113 -5.463 9.308 -7.460 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.946 8.448 -6.226 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.396 8.875 -4.189 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -3.988 11.366 -4.433 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.612 10.421 -5.049 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -3.779 11.137 -6.186 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.260 10.467 -4.464 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.156 10.275 -6.231 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.611 8.890 -5.210 1.00 0.00 H new ATOM 1740 N MET A 114 -3.517 6.126 -6.574 1.00 0.00 N ATOM 1741 CA MET A 114 -3.654 4.686 -6.719 1.00 0.00 C ATOM 1742 C MET A 114 -3.665 3.923 -5.400 1.00 0.00 C ATOM 1743 O MET A 114 -4.085 2.771 -5.411 1.00 0.00 O ATOM 1744 CB MET A 114 -2.542 4.144 -7.629 1.00 0.00 C ATOM 1745 CG MET A 114 -1.121 4.372 -7.115 1.00 0.00 C ATOM 1746 SD MET A 114 -0.478 6.014 -7.531 1.00 0.00 S ATOM 1747 CE MET A 114 0.192 5.690 -9.167 1.00 0.00 C ATOM 0 H MET A 114 -2.653 6.467 -6.996 1.00 0.00 H new ATOM 0 HA MET A 114 -4.633 4.521 -7.169 1.00 0.00 H new ATOM 0 HB2 MET A 114 -2.695 3.074 -7.767 1.00 0.00 H new ATOM 0 HB3 MET A 114 -2.637 4.609 -8.610 1.00 0.00 H new ATOM 0 HG2 MET A 114 -1.106 4.245 -6.033 1.00 0.00 H new ATOM 0 HG3 MET A 114 -0.462 3.612 -7.534 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.707 6.579 -9.532 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.896 4.859 -9.114 1.00 0.00 H new ATOM 0 HE3 MET A 114 -0.620 5.435 -9.849 1.00 0.00 H new ATOM 1757 N ILE A 115 -3.222 4.519 -4.284 1.00 0.00 N ATOM 1758 CA ILE A 115 -3.198 3.862 -2.975 1.00 0.00 C ATOM 1759 C ILE A 115 -4.571 3.263 -2.672 1.00 0.00 C ATOM 1760 O ILE A 115 -4.657 2.120 -2.220 1.00 0.00 O ATOM 1761 CB ILE A 115 -2.741 4.870 -1.883 1.00 0.00 C ATOM 1762 CG1 ILE A 115 -1.216 5.056 -1.989 1.00 0.00 C ATOM 1763 CG2 ILE A 115 -3.081 4.432 -0.445 1.00 0.00 C ATOM 1764 CD1 ILE A 115 -0.630 6.164 -1.095 1.00 0.00 C ATOM 0 H ILE A 115 -2.869 5.476 -4.267 1.00 0.00 H new ATOM 0 HA ILE A 115 -2.478 3.044 -2.983 1.00 0.00 H new ATOM 0 HB ILE A 115 -3.284 5.797 -2.068 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.732 4.113 -1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -0.964 5.276 -3.026 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -2.730 5.187 0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -4.160 4.317 -0.345 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -2.593 3.481 -0.229 1.00 0.00 H new ATOM 0 HD11 ILE A 115 0.449 6.217 -1.241 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -1.079 7.121 -1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -0.844 5.940 -0.050 1.00 0.00 H new ATOM 1776 N PHE A 116 -5.631 4.022 -2.940 1.00 0.00 N ATOM 1777 CA PHE A 116 -6.987 3.556 -2.648 1.00 0.00 C ATOM 1778 C PHE A 116 -7.323 2.326 -3.498 1.00 0.00 C ATOM 1779 O PHE A 116 -7.854 1.344 -2.982 1.00 0.00 O ATOM 1780 CB PHE A 116 -8.010 4.681 -2.846 1.00 0.00 C ATOM 1781 CG PHE A 116 -8.244 5.548 -1.621 1.00 0.00 C ATOM 1782 CD1 PHE A 116 -8.925 5.017 -0.508 1.00 0.00 C ATOM 1783 CD2 PHE A 116 -7.837 6.898 -1.601 1.00 0.00 C ATOM 1784 CE1 PHE A 116 -9.182 5.819 0.613 1.00 0.00 C ATOM 1785 CE2 PHE A 116 -8.112 7.704 -0.481 1.00 0.00 C ATOM 1786 CZ PHE A 116 -8.771 7.162 0.635 1.00 0.00 C ATOM 0 H PHE A 116 -5.580 4.953 -3.354 1.00 0.00 H new ATOM 0 HA PHE A 116 -7.035 3.260 -1.600 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -7.677 5.317 -3.666 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -8.960 4.241 -3.150 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -9.251 3.987 -0.518 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -7.312 7.315 -2.448 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -9.699 5.402 1.464 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -7.816 8.743 -0.479 1.00 0.00 H new ATOM 0 HZ PHE A 116 -8.960 7.774 1.504 1.00 0.00 H new ATOM 1796 N GLU A 117 -6.969 2.340 -4.784 1.00 0.00 N ATOM 1797 CA GLU A 117 -7.180 1.201 -5.670 1.00 0.00 C ATOM 1798 C GLU A 117 -6.386 -0.017 -5.181 1.00 0.00 C ATOM 1799 O GLU A 117 -6.888 -1.134 -5.261 1.00 0.00 O ATOM 1800 CB GLU A 117 -6.807 1.561 -7.121 1.00 0.00 C ATOM 1801 CG GLU A 117 -7.930 1.264 -8.127 1.00 0.00 C ATOM 1802 CD GLU A 117 -8.372 -0.203 -8.222 1.00 0.00 C ATOM 1803 OE1 GLU A 117 -9.224 -0.642 -7.417 1.00 0.00 O ATOM 1804 OE2 GLU A 117 -7.974 -0.900 -9.184 1.00 0.00 O ATOM 0 H GLU A 117 -6.529 3.141 -5.237 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.239 0.943 -5.652 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -6.553 2.620 -7.172 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -5.914 1.005 -7.408 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -8.798 1.869 -7.863 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -7.603 1.590 -9.114 1.00 0.00 H new ATOM 1811 N LEU A 118 -5.168 0.164 -4.650 1.00 0.00 N ATOM 1812 CA LEU A 118 -4.362 -0.958 -4.171 1.00 0.00 C ATOM 1813 C LEU A 118 -5.091 -1.627 -3.009 1.00 0.00 C ATOM 1814 O LEU A 118 -5.277 -2.844 -3.010 1.00 0.00 O ATOM 1815 CB LEU A 118 -2.947 -0.556 -3.717 1.00 0.00 C ATOM 1816 CG LEU A 118 -2.097 0.336 -4.643 1.00 0.00 C ATOM 1817 CD1 LEU A 118 -0.622 0.082 -4.355 1.00 0.00 C ATOM 1818 CD2 LEU A 118 -2.281 0.182 -6.155 1.00 0.00 C ATOM 0 H LEU A 118 -4.724 1.076 -4.543 1.00 0.00 H new ATOM 0 HA LEU A 118 -4.235 -1.639 -5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -3.040 -0.044 -2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -2.386 -1.472 -3.535 1.00 0.00 H new ATOM 0 HG LEU A 118 -2.449 1.341 -4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -0.011 0.708 -5.005 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.408 0.323 -3.314 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -0.391 -0.967 -4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -1.618 0.874 -6.675 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -2.042 -0.840 -6.448 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.315 0.403 -6.420 1.00 0.00 H new ATOM 1830 N ALA A 119 -5.508 -0.830 -2.024 1.00 0.00 N ATOM 1831 CA ALA A 119 -6.281 -1.301 -0.886 1.00 0.00 C ATOM 1832 C ALA A 119 -7.575 -2.006 -1.303 1.00 0.00 C ATOM 1833 O ALA A 119 -7.921 -3.017 -0.693 1.00 0.00 O ATOM 1834 CB ALA A 119 -6.588 -0.144 0.059 1.00 0.00 C ATOM 0 H ALA A 119 -5.314 0.171 -1.999 1.00 0.00 H new ATOM 0 HA ALA A 119 -5.669 -2.040 -0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -7.167 -0.510 0.907 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -5.655 0.290 0.418 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -7.162 0.616 -0.471 1.00 0.00 H new ATOM 1840 N HIS A 120 -8.284 -1.527 -2.329 1.00 0.00 N ATOM 1841 CA HIS A 120 -9.421 -2.242 -2.893 1.00 0.00 C ATOM 1842 C HIS A 120 -8.961 -3.601 -3.436 1.00 0.00 C ATOM 1843 O HIS A 120 -9.505 -4.645 -3.069 1.00 0.00 O ATOM 1844 CB HIS A 120 -10.078 -1.414 -4.004 1.00 0.00 C ATOM 1845 CG HIS A 120 -11.268 -0.613 -3.545 1.00 0.00 C ATOM 1846 ND1 HIS A 120 -12.583 -1.013 -3.610 1.00 0.00 N ATOM 1847 CD2 HIS A 120 -11.239 0.644 -3.007 1.00 0.00 C ATOM 1848 CE1 HIS A 120 -13.327 -0.014 -3.110 1.00 0.00 C ATOM 1849 NE2 HIS A 120 -12.563 1.031 -2.750 1.00 0.00 N ATOM 0 H HIS A 120 -8.084 -0.638 -2.786 1.00 0.00 H new ATOM 0 HA HIS A 120 -10.160 -2.406 -2.109 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.336 -0.735 -4.425 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -10.390 -2.083 -4.806 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -10.355 1.234 -2.814 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -14.402 -0.046 -3.010 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -12.880 1.922 -2.368 1.00 0.00 H new ATOM 1857 N HIS A 121 -7.969 -3.590 -4.321 1.00 0.00 N ATOM 1858 CA HIS A 121 -7.514 -4.721 -5.118 1.00 0.00 C ATOM 1859 C HIS A 121 -7.060 -5.892 -4.242 1.00 0.00 C ATOM 1860 O HIS A 121 -7.437 -7.039 -4.483 1.00 0.00 O ATOM 1861 CB HIS A 121 -6.390 -4.201 -6.017 1.00 0.00 C ATOM 1862 CG HIS A 121 -5.754 -5.226 -6.910 1.00 0.00 C ATOM 1863 ND1 HIS A 121 -5.934 -5.324 -8.267 1.00 0.00 N ATOM 1864 CD2 HIS A 121 -4.765 -6.097 -6.554 1.00 0.00 C ATOM 1865 CE1 HIS A 121 -5.041 -6.211 -8.730 1.00 0.00 C ATOM 1866 NE2 HIS A 121 -4.313 -6.719 -7.716 1.00 0.00 N ATOM 0 H HIS A 121 -7.432 -2.744 -4.511 1.00 0.00 H new ATOM 0 HA HIS A 121 -8.329 -5.120 -5.721 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -6.787 -3.398 -6.639 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -5.616 -3.763 -5.386 1.00 0.00 H new ATOM 0 HD1 HIS A 121 -6.622 -4.815 -8.822 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -4.399 -6.272 -5.553 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -4.922 -6.480 -9.769 1.00 0.00 H new ATOM 1874 N VAL A 122 -6.278 -5.614 -3.195 1.00 0.00 N ATOM 1875 CA VAL A 122 -5.859 -6.600 -2.203 1.00 0.00 C ATOM 1876 C VAL A 122 -7.072 -7.349 -1.652 1.00 0.00 C ATOM 1877 O VAL A 122 -6.984 -8.558 -1.459 1.00 0.00 O ATOM 1878 CB VAL A 122 -5.095 -5.872 -1.077 1.00 0.00 C ATOM 1879 CG1 VAL A 122 -4.828 -6.781 0.132 1.00 0.00 C ATOM 1880 CG2 VAL A 122 -3.740 -5.330 -1.545 1.00 0.00 C ATOM 0 H VAL A 122 -5.913 -4.679 -3.013 1.00 0.00 H new ATOM 0 HA VAL A 122 -5.202 -7.337 -2.664 1.00 0.00 H new ATOM 0 HB VAL A 122 -5.748 -5.048 -0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -4.288 -6.221 0.896 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -5.776 -7.131 0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -4.230 -7.637 -0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -3.243 -4.827 -0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -3.119 -6.155 -1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -3.893 -4.622 -2.359 1.00 0.00 H new ATOM 1890 N GLN A 123 -8.189 -6.675 -1.378 1.00 0.00 N ATOM 1891 CA GLN A 123 -9.339 -7.316 -0.753 1.00 0.00 C ATOM 1892 C GLN A 123 -10.025 -8.268 -1.740 1.00 0.00 C ATOM 1893 O GLN A 123 -10.489 -9.328 -1.313 1.00 0.00 O ATOM 1894 CB GLN A 123 -10.283 -6.259 -0.164 1.00 0.00 C ATOM 1895 CG GLN A 123 -9.546 -5.444 0.910 1.00 0.00 C ATOM 1896 CD GLN A 123 -10.426 -4.382 1.552 1.00 0.00 C ATOM 1897 OE1 GLN A 123 -11.367 -4.673 2.288 1.00 0.00 O ATOM 1898 NE2 GLN A 123 -10.106 -3.125 1.309 1.00 0.00 N ATOM 0 H GLN A 123 -8.319 -5.684 -1.581 1.00 0.00 H new ATOM 0 HA GLN A 123 -9.007 -7.932 0.083 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -10.641 -5.598 -0.953 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -11.159 -6.742 0.270 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -9.177 -6.119 1.682 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.675 -4.965 0.462 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -9.321 -2.908 0.695 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -10.644 -2.370 1.735 1.00 0.00 H new ATOM 1907 N SER A 124 -10.001 -7.967 -3.048 1.00 0.00 N ATOM 1908 CA SER A 124 -10.433 -8.906 -4.081 1.00 0.00 C ATOM 1909 C SER A 124 -9.532 -10.143 -4.105 1.00 0.00 C ATOM 1910 O SER A 124 -10.015 -11.277 -4.167 1.00 0.00 O ATOM 1911 CB SER A 124 -10.405 -8.267 -5.477 1.00 0.00 C ATOM 1912 OG SER A 124 -11.122 -7.049 -5.573 1.00 0.00 O ATOM 0 H SER A 124 -9.682 -7.069 -3.412 1.00 0.00 H new ATOM 0 HA SER A 124 -11.456 -9.190 -3.834 1.00 0.00 H new ATOM 0 HB2 SER A 124 -9.368 -8.089 -5.762 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.816 -8.975 -6.197 1.00 0.00 H new ATOM 0 HG SER A 124 -11.057 -6.703 -6.487 1.00 0.00 H new ATOM 1918 N PHE A 125 -8.210 -9.952 -4.096 1.00 0.00 N ATOM 1919 CA PHE A 125 -7.264 -11.039 -4.186 1.00 0.00 C ATOM 1920 C PHE A 125 -7.404 -11.928 -2.952 1.00 0.00 C ATOM 1921 O PHE A 125 -7.423 -13.157 -3.046 1.00 0.00 O ATOM 1922 CB PHE A 125 -5.878 -10.408 -4.246 1.00 0.00 C ATOM 1923 CG PHE A 125 -4.803 -11.454 -4.248 1.00 0.00 C ATOM 1924 CD1 PHE A 125 -4.352 -11.917 -3.009 1.00 0.00 C ATOM 1925 CD2 PHE A 125 -4.418 -12.086 -5.439 1.00 0.00 C ATOM 1926 CE1 PHE A 125 -3.588 -13.093 -2.950 1.00 0.00 C ATOM 1927 CE2 PHE A 125 -3.624 -13.248 -5.375 1.00 0.00 C ATOM 1928 CZ PHE A 125 -3.239 -13.767 -4.132 1.00 0.00 C ATOM 0 H PHE A 125 -7.776 -9.032 -4.025 1.00 0.00 H new ATOM 0 HA PHE A 125 -7.436 -11.658 -5.066 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -5.794 -9.795 -5.143 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -5.741 -9.744 -3.392 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -4.589 -11.375 -2.105 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -4.726 -11.687 -6.394 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -3.268 -13.480 -1.994 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -3.312 -13.739 -6.285 1.00 0.00 H new ATOM 0 HZ PHE A 125 -2.674 -14.686 -4.083 1.00 0.00 H new ATOM 1938 N LEU A 126 -7.484 -11.290 -1.779 1.00 0.00 N ATOM 1939 CA LEU A 126 -7.619 -11.969 -0.510 1.00 0.00 C ATOM 1940 C LEU A 126 -8.883 -12.814 -0.562 1.00 0.00 C ATOM 1941 O LEU A 126 -8.796 -14.004 -0.303 1.00 0.00 O ATOM 1942 CB LEU A 126 -7.663 -10.983 0.675 1.00 0.00 C ATOM 1943 CG LEU A 126 -6.312 -10.394 1.111 1.00 0.00 C ATOM 1944 CD1 LEU A 126 -6.556 -9.314 2.168 1.00 0.00 C ATOM 1945 CD2 LEU A 126 -5.415 -11.475 1.718 1.00 0.00 C ATOM 0 H LEU A 126 -7.455 -10.274 -1.696 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.746 -12.600 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -8.328 -10.160 0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -8.108 -11.493 1.530 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.818 -9.975 0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -5.602 -8.891 2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -7.181 -8.527 1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -7.059 -9.754 3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.465 -11.033 2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.906 -11.908 2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.234 -12.255 0.979 1.00 0.00 H new ATOM 1957 N SER A 127 -10.027 -12.217 -0.907 1.00 0.00 N ATOM 1958 CA SER A 127 -11.324 -12.875 -0.970 1.00 0.00 C ATOM 1959 C SER A 127 -11.269 -14.169 -1.782 1.00 0.00 C ATOM 1960 O SER A 127 -11.837 -15.170 -1.343 1.00 0.00 O ATOM 1961 CB SER A 127 -12.356 -11.880 -1.513 1.00 0.00 C ATOM 1962 OG SER A 127 -13.669 -12.402 -1.479 1.00 0.00 O ATOM 0 H SER A 127 -10.072 -11.229 -1.158 1.00 0.00 H new ATOM 0 HA SER A 127 -11.626 -13.178 0.033 1.00 0.00 H new ATOM 0 HB2 SER A 127 -12.316 -10.962 -0.927 1.00 0.00 H new ATOM 0 HB3 SER A 127 -12.098 -11.615 -2.538 1.00 0.00 H new ATOM 0 HG SER A 127 -14.295 -11.736 -1.832 1.00 0.00 H new ATOM 1968 N GLU A 128 -10.571 -14.202 -2.922 1.00 0.00 N ATOM 1969 CA GLU A 128 -10.474 -15.434 -3.689 1.00 0.00 C ATOM 1970 C GLU A 128 -9.719 -16.526 -2.921 1.00 0.00 C ATOM 1971 O GLU A 128 -10.107 -17.696 -2.942 1.00 0.00 O ATOM 1972 CB GLU A 128 -9.725 -15.146 -4.985 1.00 0.00 C ATOM 1973 CG GLU A 128 -10.666 -14.877 -6.160 1.00 0.00 C ATOM 1974 CD GLU A 128 -10.001 -15.047 -7.536 1.00 0.00 C ATOM 1975 OE1 GLU A 128 -9.253 -14.139 -7.966 1.00 0.00 O ATOM 1976 OE2 GLU A 128 -10.286 -16.029 -8.254 1.00 0.00 O ATOM 0 H GLU A 128 -10.077 -13.404 -3.322 1.00 0.00 H new ATOM 0 HA GLU A 128 -11.485 -15.791 -3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -9.074 -14.284 -4.840 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -9.083 -15.993 -5.225 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -11.519 -15.552 -6.093 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -11.055 -13.862 -6.077 1.00 0.00 H new ATOM 1983 N HIS A 129 -8.623 -16.151 -2.263 1.00 0.00 N ATOM 1984 CA HIS A 129 -7.834 -17.040 -1.422 1.00 0.00 C ATOM 1985 C HIS A 129 -8.530 -17.331 -0.084 1.00 0.00 C ATOM 1986 O HIS A 129 -8.056 -18.162 0.694 1.00 0.00 O ATOM 1987 CB HIS A 129 -6.457 -16.399 -1.188 1.00 0.00 C ATOM 1988 CG HIS A 129 -5.358 -17.078 -1.956 1.00 0.00 C ATOM 1989 ND1 HIS A 129 -4.664 -18.182 -1.527 1.00 0.00 N ATOM 1990 CD2 HIS A 129 -4.819 -16.683 -3.150 1.00 0.00 C ATOM 1991 CE1 HIS A 129 -3.715 -18.446 -2.434 1.00 0.00 C ATOM 1992 NE2 HIS A 129 -3.767 -17.557 -3.446 1.00 0.00 N ATOM 0 H HIS A 129 -8.254 -15.201 -2.303 1.00 0.00 H new ATOM 0 HA HIS A 129 -7.721 -17.997 -1.931 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -6.498 -15.348 -1.474 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -6.223 -16.431 -0.124 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -5.146 -15.849 -3.754 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -3.007 -19.258 -2.364 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -3.160 -17.527 -4.265 1.00 0.00 H new ATOM 2000 N ASN A 130 -9.637 -16.650 0.214 1.00 0.00 N ATOM 2001 CA ASN A 130 -10.279 -16.698 1.537 1.00 0.00 C ATOM 2002 C ASN A 130 -11.504 -17.591 1.468 1.00 0.00 C ATOM 2003 O ASN A 130 -12.640 -17.128 1.390 1.00 0.00 O ATOM 2004 CB ASN A 130 -10.604 -15.310 2.091 1.00 0.00 C ATOM 2005 CG ASN A 130 -10.826 -15.377 3.599 1.00 0.00 C ATOM 2006 OD1 ASN A 130 -9.876 -15.377 4.381 1.00 0.00 O ATOM 2007 ND2 ASN A 130 -12.060 -15.383 4.057 1.00 0.00 N ATOM 0 H ASN A 130 -10.118 -16.047 -0.453 1.00 0.00 H new ATOM 0 HA ASN A 130 -9.569 -17.126 2.245 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -9.788 -14.622 1.867 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -11.496 -14.916 1.603 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -12.231 -15.388 5.063 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -12.845 -15.383 3.406 1.00 0.00 H new