USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 HIS : no HE2:sc= -16.8! C(o=-16!,f=-18!) USER MOD Set 1.2: A 83 TYR OH : rot 2:sc= 0.399 USER MOD Set 2.1: A 58 ASN : amide:sc= -0.01 X(o=-0.01,f=-0.065) USER MOD Set 2.2: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN :FLIP amide:sc= -3.97! C(o=-4.9!,f=-4!) USER MOD Single : A 38 LYS NZ :NH3+ -120:sc= -1.92 (180deg=-5.73!) USER MOD Single : A 42 ASN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 149:sc= -0.286 (180deg=-1.5) USER MOD Single : A 47 ASN : amide:sc= -0.129 K(o=-0.13,f=-1.6!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.107 K(o=-0.11,f=-1.5!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.196 K(o=-0.2,f=-2!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot -15:sc= -1.33! USER MOD Single : A 67 THR OG1 : rot 22:sc= 0.387 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 99 N SER A 10 9.573 4.403 5.720 1.00 0.00 N ATOM 100 CA SER A 10 9.893 3.471 6.794 1.00 0.00 C ATOM 101 C SER A 10 9.136 3.831 8.069 1.00 0.00 C ATOM 102 O SER A 10 8.529 2.971 8.706 1.00 0.00 O ATOM 103 CB SER A 10 11.399 3.469 7.066 1.00 0.00 C ATOM 104 OG SER A 10 11.742 2.492 8.033 1.00 0.00 O ATOM 0 HA SER A 10 9.587 2.474 6.479 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.939 3.273 6.139 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.710 4.454 7.414 1.00 0.00 H new ATOM 0 HG SER A 10 12.710 2.510 8.188 1.00 0.00 H new ATOM 110 N GLN A 11 9.177 5.109 8.434 1.00 0.00 N ATOM 111 CA GLN A 11 8.496 5.583 9.632 1.00 0.00 C ATOM 112 C GLN A 11 6.996 5.318 9.547 1.00 0.00 C ATOM 113 O GLN A 11 6.334 5.111 10.564 1.00 0.00 O ATOM 114 CB GLN A 11 8.751 7.078 9.832 1.00 0.00 C ATOM 115 CG GLN A 11 9.995 7.379 10.653 1.00 0.00 C ATOM 116 CD GLN A 11 9.704 7.476 12.138 1.00 0.00 C ATOM 117 OE1 GLN A 11 9.053 6.603 12.713 1.00 0.00 O ATOM 118 NE2 GLN A 11 10.186 8.541 12.767 1.00 0.00 N ATOM 0 H GLN A 11 9.675 5.834 7.917 1.00 0.00 H new ATOM 0 HA GLN A 11 8.895 5.036 10.486 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.845 7.556 8.857 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.886 7.523 10.323 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.736 6.598 10.482 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.434 8.316 10.311 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.720 9.240 12.251 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.022 8.660 13.767 1.00 0.00 H new ATOM 127 N ARG A 12 6.468 5.326 8.328 1.00 0.00 N ATOM 128 CA ARG A 12 5.046 5.089 8.110 1.00 0.00 C ATOM 129 C ARG A 12 4.689 3.631 8.388 1.00 0.00 C ATOM 130 O ARG A 12 5.517 2.729 8.260 1.00 0.00 O ATOM 131 CB ARG A 12 4.659 5.454 6.676 1.00 0.00 C ATOM 132 CG ARG A 12 4.574 6.952 6.431 1.00 0.00 C ATOM 133 CD ARG A 12 3.320 7.547 7.051 1.00 0.00 C ATOM 134 NE ARG A 12 3.495 7.834 8.473 1.00 0.00 N ATOM 135 CZ ARG A 12 2.486 7.957 9.328 1.00 0.00 C ATOM 136 NH1 ARG A 12 1.236 7.819 8.907 1.00 0.00 N ATOM 137 NH2 ARG A 12 2.726 8.218 10.606 1.00 0.00 N ATOM 0 H ARG A 12 7.003 5.494 7.476 1.00 0.00 H new ATOM 0 HA ARG A 12 4.489 5.721 8.801 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.389 5.023 5.991 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.696 5.001 6.442 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.455 7.441 6.848 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.579 7.147 5.359 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.057 8.465 6.526 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.488 6.855 6.921 1.00 0.00 H new ATOM 0 HE ARG A 12 4.444 7.946 8.829 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.048 7.618 7.925 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.463 7.914 9.565 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.686 8.325 10.933 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.950 8.312 11.262 1.00 0.00 H new ATOM 151 N PRO A 13 3.429 3.394 8.779 1.00 0.00 N ATOM 152 CA PRO A 13 2.934 2.048 9.084 1.00 0.00 C ATOM 153 C PRO A 13 2.814 1.179 7.837 1.00 0.00 C ATOM 154 O PRO A 13 2.274 1.609 6.818 1.00 0.00 O ATOM 155 CB PRO A 13 1.552 2.307 9.690 1.00 0.00 C ATOM 156 CG PRO A 13 1.129 3.618 9.123 1.00 0.00 C ATOM 157 CD PRO A 13 2.388 4.422 8.954 1.00 0.00 C ATOM 0 HA PRO A 13 3.610 1.505 9.745 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.850 1.516 9.426 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.597 2.343 10.778 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.620 3.484 8.168 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.430 4.124 9.789 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.329 5.085 8.091 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.584 5.049 9.824 1.00 0.00 H new ATOM 165 N TYR A 14 3.321 -0.046 7.925 1.00 0.00 N ATOM 166 CA TYR A 14 3.273 -0.975 6.803 1.00 0.00 C ATOM 167 C TYR A 14 1.987 -0.796 6.002 1.00 0.00 C ATOM 168 O TYR A 14 2.018 -0.401 4.836 1.00 0.00 O ATOM 169 CB TYR A 14 3.378 -2.417 7.303 1.00 0.00 C ATOM 170 CG TYR A 14 3.926 -3.377 6.271 1.00 0.00 C ATOM 171 CD1 TYR A 14 5.164 -3.159 5.679 1.00 0.00 C ATOM 172 CD2 TYR A 14 3.205 -4.501 5.887 1.00 0.00 C ATOM 173 CE1 TYR A 14 5.669 -4.033 4.735 1.00 0.00 C ATOM 174 CE2 TYR A 14 3.702 -5.381 4.946 1.00 0.00 C ATOM 175 CZ TYR A 14 4.934 -5.143 4.372 1.00 0.00 C ATOM 176 OH TYR A 14 5.432 -6.016 3.433 1.00 0.00 O ATOM 0 H TYR A 14 3.770 -0.418 8.762 1.00 0.00 H new ATOM 0 HA TYR A 14 4.119 -0.761 6.150 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.018 -2.441 8.185 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.391 -2.757 7.616 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.742 -2.291 5.961 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.239 -4.690 6.332 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.633 -3.848 4.284 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.129 -6.251 4.661 1.00 0.00 H new ATOM 0 HH TYR A 14 4.792 -6.745 3.292 1.00 0.00 H new ATOM 186 N ARG A 15 0.856 -1.089 6.637 1.00 0.00 N ATOM 187 CA ARG A 15 -0.441 -0.961 5.985 1.00 0.00 C ATOM 188 C ARG A 15 -0.447 0.214 5.011 1.00 0.00 C ATOM 189 O ARG A 15 -0.693 0.042 3.817 1.00 0.00 O ATOM 190 CB ARG A 15 -1.544 -0.776 7.029 1.00 0.00 C ATOM 191 CG ARG A 15 -2.806 -0.134 6.475 1.00 0.00 C ATOM 192 CD ARG A 15 -3.834 0.109 7.569 1.00 0.00 C ATOM 193 NE ARG A 15 -3.680 1.425 8.182 1.00 0.00 N ATOM 194 CZ ARG A 15 -4.463 1.878 9.155 1.00 0.00 C ATOM 195 NH1 ARG A 15 -5.448 1.125 9.623 1.00 0.00 N ATOM 196 NH2 ARG A 15 -4.260 3.088 9.662 1.00 0.00 N ATOM 0 H ARG A 15 0.813 -1.416 7.602 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.629 -1.877 5.424 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.797 -1.747 7.454 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.162 -0.162 7.844 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.554 0.811 5.995 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.236 -0.777 5.707 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.837 0.019 7.151 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.738 -0.661 8.334 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.931 2.029 7.845 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.607 0.195 9.236 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.047 1.476 10.370 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.503 3.670 9.305 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.861 3.435 10.409 1.00 0.00 H new ATOM 210 N ASP A 16 -0.175 1.406 5.529 1.00 0.00 N ATOM 211 CA ASP A 16 -0.148 2.609 4.705 1.00 0.00 C ATOM 212 C ASP A 16 0.667 2.381 3.436 1.00 0.00 C ATOM 213 O ASP A 16 0.205 2.665 2.330 1.00 0.00 O ATOM 214 CB ASP A 16 0.435 3.782 5.496 1.00 0.00 C ATOM 215 CG ASP A 16 -0.609 4.487 6.340 1.00 0.00 C ATOM 216 OD1 ASP A 16 -1.387 3.791 7.025 1.00 0.00 O ATOM 217 OD2 ASP A 16 -0.647 5.735 6.315 1.00 0.00 O ATOM 0 H ASP A 16 0.030 1.566 6.515 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.173 2.846 4.419 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.235 3.419 6.141 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.882 4.496 4.805 1.00 0.00 H new ATOM 222 N ARG A 17 1.881 1.867 3.603 1.00 0.00 N ATOM 223 CA ARG A 17 2.761 1.603 2.471 1.00 0.00 C ATOM 224 C ARG A 17 2.093 0.665 1.470 1.00 0.00 C ATOM 225 O ARG A 17 2.229 0.834 0.258 1.00 0.00 O ATOM 226 CB ARG A 17 4.079 0.995 2.954 1.00 0.00 C ATOM 227 CG ARG A 17 4.762 1.807 4.042 1.00 0.00 C ATOM 228 CD ARG A 17 5.944 1.057 4.638 1.00 0.00 C ATOM 229 NE ARG A 17 6.906 0.653 3.616 1.00 0.00 N ATOM 230 CZ ARG A 17 8.096 0.131 3.893 1.00 0.00 C ATOM 231 NH1 ARG A 17 8.468 -0.049 5.153 1.00 0.00 N ATOM 232 NH2 ARG A 17 8.917 -0.212 2.909 1.00 0.00 N ATOM 0 H ARG A 17 2.278 1.625 4.511 1.00 0.00 H new ATOM 0 HA ARG A 17 2.966 2.551 1.974 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.890 -0.011 3.328 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.757 0.897 2.106 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.103 2.756 3.629 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.044 2.041 4.828 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.441 1.689 5.374 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.584 0.174 5.167 1.00 0.00 H new ATOM 0 HE ARG A 17 6.650 0.778 2.637 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.840 0.213 5.913 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.382 -0.450 5.363 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.635 -0.075 1.938 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.830 -0.613 3.123 1.00 0.00 H new ATOM 246 N VAL A 18 1.370 -0.325 1.985 1.00 0.00 N ATOM 247 CA VAL A 18 0.680 -1.289 1.137 1.00 0.00 C ATOM 248 C VAL A 18 -0.471 -0.633 0.383 1.00 0.00 C ATOM 249 O VAL A 18 -0.497 -0.628 -0.848 1.00 0.00 O ATOM 250 CB VAL A 18 0.132 -2.470 1.960 1.00 0.00 C ATOM 251 CG1 VAL A 18 -0.597 -3.456 1.061 1.00 0.00 C ATOM 252 CG2 VAL A 18 1.258 -3.158 2.717 1.00 0.00 C ATOM 0 H VAL A 18 1.247 -0.480 2.986 1.00 0.00 H new ATOM 0 HA VAL A 18 1.413 -1.663 0.422 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.582 -2.083 2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.977 -4.283 1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.429 -2.953 0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.092 -3.840 0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.854 -3.990 3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.997 -3.532 2.009 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.731 -2.445 3.392 1.00 0.00 H new ATOM 262 N ILE A 19 -1.421 -0.079 1.129 1.00 0.00 N ATOM 263 CA ILE A 19 -2.574 0.582 0.530 1.00 0.00 C ATOM 264 C ILE A 19 -2.139 1.666 -0.449 1.00 0.00 C ATOM 265 O ILE A 19 -2.719 1.815 -1.525 1.00 0.00 O ATOM 266 CB ILE A 19 -3.482 1.210 1.604 1.00 0.00 C ATOM 267 CG1 ILE A 19 -2.769 2.378 2.287 1.00 0.00 C ATOM 268 CG2 ILE A 19 -3.895 0.163 2.627 1.00 0.00 C ATOM 269 CD1 ILE A 19 -3.603 3.057 3.351 1.00 0.00 C ATOM 0 H ILE A 19 -1.415 -0.075 2.149 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.134 -0.184 -0.006 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.381 1.591 1.120 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.845 2.016 2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.489 3.113 1.533 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.536 0.622 3.379 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.439 -0.639 2.128 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.007 -0.246 3.108 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.034 3.875 3.792 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.515 3.450 2.902 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.862 2.336 4.126 1.00 0.00 H new ATOM 281 N HIS A 20 -1.112 2.421 -0.071 1.00 0.00 N ATOM 282 CA HIS A 20 -0.596 3.491 -0.918 1.00 0.00 C ATOM 283 C HIS A 20 -0.166 2.948 -2.277 1.00 0.00 C ATOM 284 O HIS A 20 -0.312 3.620 -3.299 1.00 0.00 O ATOM 285 CB HIS A 20 0.583 4.185 -0.236 1.00 0.00 C ATOM 286 CG HIS A 20 0.177 5.310 0.665 1.00 0.00 C ATOM 287 ND1 HIS A 20 0.285 5.250 2.039 1.00 0.00 N ATOM 288 CD2 HIS A 20 -0.338 6.529 0.383 1.00 0.00 C ATOM 289 CE1 HIS A 20 -0.148 6.383 2.562 1.00 0.00 C ATOM 290 NE2 HIS A 20 -0.531 7.176 1.578 1.00 0.00 N ATOM 0 H HIS A 20 -0.621 2.312 0.816 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.395 4.216 -1.073 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.141 3.450 0.344 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.259 4.568 -1.000 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.643 4.455 2.568 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.557 6.920 -0.600 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.183 6.620 3.615 1.00 0.00 H new ATOM 298 N LEU A 21 0.364 1.730 -2.282 1.00 0.00 N ATOM 299 CA LEU A 21 0.816 1.098 -3.516 1.00 0.00 C ATOM 300 C LEU A 21 -0.355 0.475 -4.269 1.00 0.00 C ATOM 301 O LEU A 21 -0.446 0.578 -5.494 1.00 0.00 O ATOM 302 CB LEU A 21 1.866 0.029 -3.210 1.00 0.00 C ATOM 303 CG LEU A 21 3.223 0.541 -2.724 1.00 0.00 C ATOM 304 CD1 LEU A 21 4.070 -0.608 -2.199 1.00 0.00 C ATOM 305 CD2 LEU A 21 3.949 1.272 -3.844 1.00 0.00 C ATOM 0 H LEU A 21 0.491 1.161 -1.445 1.00 0.00 H new ATOM 0 HA LEU A 21 1.262 1.867 -4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.461 -0.643 -2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.025 -0.564 -4.111 1.00 0.00 H new ATOM 0 HG LEU A 21 3.054 1.243 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.032 -0.225 -1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.555 -1.089 -1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.231 -1.335 -2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.912 1.629 -3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.107 0.591 -4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.349 2.120 -4.174 1.00 0.00 H new ATOM 317 N LEU A 22 -1.251 -0.171 -3.531 1.00 0.00 N ATOM 318 CA LEU A 22 -2.419 -0.809 -4.128 1.00 0.00 C ATOM 319 C LEU A 22 -3.350 0.229 -4.746 1.00 0.00 C ATOM 320 O LEU A 22 -4.023 -0.040 -5.741 1.00 0.00 O ATOM 321 CB LEU A 22 -3.172 -1.625 -3.076 1.00 0.00 C ATOM 322 CG LEU A 22 -2.564 -2.981 -2.716 1.00 0.00 C ATOM 323 CD1 LEU A 22 -3.239 -3.557 -1.481 1.00 0.00 C ATOM 324 CD2 LEU A 22 -2.679 -3.945 -3.888 1.00 0.00 C ATOM 0 H LEU A 22 -1.191 -0.267 -2.517 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.074 -1.476 -4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.244 -1.029 -2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.189 -1.788 -3.432 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.507 -2.836 -2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.794 -4.522 -1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.104 -2.875 -0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.304 -3.687 -1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.241 -4.905 -3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.730 -4.085 -4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.149 -3.537 -4.748 1.00 0.00 H new ATOM 336 N ALA A 23 -3.381 1.417 -4.151 1.00 0.00 N ATOM 337 CA ALA A 23 -4.226 2.497 -4.646 1.00 0.00 C ATOM 338 C ALA A 23 -3.980 2.751 -6.129 1.00 0.00 C ATOM 339 O ALA A 23 -4.862 2.534 -6.961 1.00 0.00 O ATOM 340 CB ALA A 23 -3.983 3.767 -3.843 1.00 0.00 C ATOM 0 H ALA A 23 -2.831 1.656 -3.326 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.267 2.196 -4.524 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.620 4.565 -4.223 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.217 3.585 -2.794 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.938 4.062 -3.936 1.00 0.00 H new ATOM 346 N LEU A 24 -2.778 3.212 -6.454 1.00 0.00 N ATOM 347 CA LEU A 24 -2.416 3.496 -7.838 1.00 0.00 C ATOM 348 C LEU A 24 -2.995 2.445 -8.780 1.00 0.00 C ATOM 349 O LEU A 24 -3.585 2.776 -9.809 1.00 0.00 O ATOM 350 CB LEU A 24 -0.894 3.548 -7.988 1.00 0.00 C ATOM 351 CG LEU A 24 -0.212 4.817 -7.478 1.00 0.00 C ATOM 352 CD1 LEU A 24 1.245 4.852 -7.911 1.00 0.00 C ATOM 353 CD2 LEU A 24 -0.947 6.054 -7.973 1.00 0.00 C ATOM 0 H LEU A 24 -2.037 3.397 -5.778 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.835 4.466 -8.105 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.468 2.694 -7.462 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.649 3.427 -9.043 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.246 4.811 -6.389 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.714 5.763 -7.538 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.766 3.984 -7.506 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.302 4.834 -8.999 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.447 6.948 -7.600 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.946 6.066 -9.063 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.975 6.036 -7.611 1.00 0.00 H new ATOM 365 N LYS A 25 -2.826 1.178 -8.419 1.00 0.00 N ATOM 366 CA LYS A 25 -3.335 0.077 -9.229 1.00 0.00 C ATOM 367 C LYS A 25 -3.294 -1.235 -8.451 1.00 0.00 C ATOM 368 O LYS A 25 -2.753 -1.296 -7.348 1.00 0.00 O ATOM 369 CB LYS A 25 -2.519 -0.055 -10.517 1.00 0.00 C ATOM 370 CG LYS A 25 -1.110 -0.576 -10.293 1.00 0.00 C ATOM 371 CD LYS A 25 -0.532 -1.183 -11.561 1.00 0.00 C ATOM 372 CE LYS A 25 -0.933 -2.642 -11.713 1.00 0.00 C ATOM 373 NZ LYS A 25 -0.980 -3.058 -13.142 1.00 0.00 N ATOM 0 H LYS A 25 -2.340 0.887 -7.570 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.372 0.295 -9.484 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.041 -0.725 -11.201 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.464 0.919 -11.004 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.470 0.238 -9.954 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.120 -1.325 -9.501 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.877 -0.618 -12.427 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.555 -1.103 -11.541 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.224 -3.271 -11.175 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.910 -2.800 -11.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.257 -4.059 -13.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.675 -2.475 -13.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.041 -2.932 -13.571 1.00 0.00 H new ATOM 387 N ALA A 26 -3.867 -2.282 -9.035 1.00 0.00 N ATOM 388 CA ALA A 26 -3.893 -3.592 -8.398 1.00 0.00 C ATOM 389 C ALA A 26 -2.505 -4.223 -8.386 1.00 0.00 C ATOM 390 O ALA A 26 -1.797 -4.211 -9.393 1.00 0.00 O ATOM 391 CB ALA A 26 -4.883 -4.505 -9.107 1.00 0.00 C ATOM 0 H ALA A 26 -4.319 -2.248 -9.949 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.214 -3.460 -7.365 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.892 -5.480 -8.620 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.880 -4.067 -9.060 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.587 -4.623 -10.150 1.00 0.00 H new ATOM 397 N TYR A 27 -2.121 -4.774 -7.239 1.00 0.00 N ATOM 398 CA TYR A 27 -0.815 -5.407 -7.095 1.00 0.00 C ATOM 399 C TYR A 27 -0.956 -6.828 -6.557 1.00 0.00 C ATOM 400 O TYR A 27 -1.925 -7.152 -5.870 1.00 0.00 O ATOM 401 CB TYR A 27 0.075 -4.583 -6.163 1.00 0.00 C ATOM 402 CG TYR A 27 0.893 -3.533 -6.880 1.00 0.00 C ATOM 403 CD1 TYR A 27 0.322 -2.332 -7.281 1.00 0.00 C ATOM 404 CD2 TYR A 27 2.239 -3.743 -7.156 1.00 0.00 C ATOM 405 CE1 TYR A 27 1.066 -1.371 -7.937 1.00 0.00 C ATOM 406 CE2 TYR A 27 2.991 -2.786 -7.810 1.00 0.00 C ATOM 407 CZ TYR A 27 2.400 -1.602 -8.199 1.00 0.00 C ATOM 408 OH TYR A 27 3.146 -0.647 -8.851 1.00 0.00 O ATOM 0 H TYR A 27 -2.695 -4.795 -6.396 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.351 -5.454 -8.080 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.550 -4.096 -5.414 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.748 -5.254 -5.629 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.722 -2.146 -7.076 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.705 -4.670 -6.854 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.605 -0.443 -8.243 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.036 -2.964 -8.016 1.00 0.00 H new ATOM 0 HH TYR A 27 4.067 -0.966 -8.956 1.00 0.00 H new ATOM 418 N LYS A 28 0.020 -7.673 -6.874 1.00 0.00 N ATOM 419 CA LYS A 28 0.009 -9.059 -6.422 1.00 0.00 C ATOM 420 C LYS A 28 0.847 -9.226 -5.159 1.00 0.00 C ATOM 421 O LYS A 28 1.828 -8.511 -4.952 1.00 0.00 O ATOM 422 CB LYS A 28 0.539 -9.980 -7.524 1.00 0.00 C ATOM 423 CG LYS A 28 -0.255 -9.901 -8.816 1.00 0.00 C ATOM 424 CD LYS A 28 0.321 -8.860 -9.762 1.00 0.00 C ATOM 425 CE LYS A 28 -0.675 -8.483 -10.848 1.00 0.00 C ATOM 426 NZ LYS A 28 -0.190 -7.342 -11.674 1.00 0.00 N ATOM 0 H LYS A 28 0.829 -7.422 -7.442 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.021 -9.332 -6.192 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.579 -9.725 -7.730 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.528 -11.008 -7.163 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.256 -10.876 -9.304 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.293 -9.655 -8.592 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.601 -7.970 -9.199 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.231 -9.247 -10.220 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.856 -9.345 -11.490 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.629 -8.221 -10.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.897 -7.116 -12.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.042 -6.512 -11.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.707 -7.601 -12.131 1.00 0.00 H new ATOM 440 N LYS A 29 0.456 -10.176 -4.316 1.00 0.00 N ATOM 441 CA LYS A 29 1.172 -10.440 -3.074 1.00 0.00 C ATOM 442 C LYS A 29 2.676 -10.274 -3.267 1.00 0.00 C ATOM 443 O LYS A 29 3.340 -9.529 -2.547 1.00 0.00 O ATOM 444 CB LYS A 29 0.864 -11.853 -2.574 1.00 0.00 C ATOM 445 CG LYS A 29 1.882 -12.382 -1.578 1.00 0.00 C ATOM 446 CD LYS A 29 1.553 -11.946 -0.160 1.00 0.00 C ATOM 447 CE LYS A 29 2.812 -11.754 0.671 1.00 0.00 C ATOM 448 NZ LYS A 29 3.506 -13.045 0.934 1.00 0.00 N ATOM 0 H LYS A 29 -0.354 -10.776 -4.471 1.00 0.00 H new ATOM 0 HA LYS A 29 0.837 -9.717 -2.330 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.122 -11.858 -2.110 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.818 -12.529 -3.428 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.910 -13.471 -1.628 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.876 -12.025 -1.848 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.988 -11.014 -0.187 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.915 -12.693 0.312 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.490 -11.077 0.152 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.553 -11.281 1.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.359 -12.871 1.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.868 -13.683 1.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.776 -13.484 0.031 1.00 0.00 H new ATOM 462 N PRO A 30 3.228 -10.984 -4.263 1.00 0.00 N ATOM 463 CA PRO A 30 4.659 -10.930 -4.575 1.00 0.00 C ATOM 464 C PRO A 30 5.072 -9.589 -5.171 1.00 0.00 C ATOM 465 O PRO A 30 6.038 -8.972 -4.722 1.00 0.00 O ATOM 466 CB PRO A 30 4.840 -12.050 -5.603 1.00 0.00 C ATOM 467 CG PRO A 30 3.501 -12.203 -6.236 1.00 0.00 C ATOM 468 CD PRO A 30 2.496 -11.893 -5.161 1.00 0.00 C ATOM 0 HA PRO A 30 5.275 -11.047 -3.684 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.599 -11.791 -6.341 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.161 -12.976 -5.127 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.389 -11.524 -7.082 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.364 -13.214 -6.619 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.603 -11.421 -5.570 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.171 -12.795 -4.642 1.00 0.00 H new ATOM 476 N GLU A 31 4.334 -9.143 -6.183 1.00 0.00 N ATOM 477 CA GLU A 31 4.626 -7.874 -6.839 1.00 0.00 C ATOM 478 C GLU A 31 4.641 -6.730 -5.829 1.00 0.00 C ATOM 479 O GLU A 31 5.672 -6.092 -5.612 1.00 0.00 O ATOM 480 CB GLU A 31 3.594 -7.591 -7.932 1.00 0.00 C ATOM 481 CG GLU A 31 3.989 -6.457 -8.863 1.00 0.00 C ATOM 482 CD GLU A 31 4.799 -6.934 -10.053 1.00 0.00 C ATOM 483 OE1 GLU A 31 4.215 -7.583 -10.946 1.00 0.00 O ATOM 484 OE2 GLU A 31 6.017 -6.659 -10.090 1.00 0.00 O ATOM 0 H GLU A 31 3.530 -9.641 -6.566 1.00 0.00 H new ATOM 0 HA GLU A 31 5.614 -7.947 -7.293 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.442 -8.496 -8.520 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.639 -7.350 -7.465 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.090 -5.954 -9.219 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.568 -5.720 -8.306 1.00 0.00 H new ATOM 491 N LEU A 32 3.491 -6.476 -5.216 1.00 0.00 N ATOM 492 CA LEU A 32 3.370 -5.408 -4.229 1.00 0.00 C ATOM 493 C LEU A 32 4.615 -5.334 -3.352 1.00 0.00 C ATOM 494 O LEU A 32 5.112 -4.247 -3.051 1.00 0.00 O ATOM 495 CB LEU A 32 2.132 -5.629 -3.358 1.00 0.00 C ATOM 496 CG LEU A 32 1.462 -4.368 -2.811 1.00 0.00 C ATOM 497 CD1 LEU A 32 0.381 -4.732 -1.805 1.00 0.00 C ATOM 498 CD2 LEU A 32 2.495 -3.448 -2.178 1.00 0.00 C ATOM 0 H LEU A 32 2.629 -6.994 -5.384 1.00 0.00 H new ATOM 0 HA LEU A 32 3.267 -4.463 -4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.396 -6.183 -3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.413 -6.261 -2.516 1.00 0.00 H new ATOM 0 HG LEU A 32 0.994 -3.839 -3.641 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.085 -3.822 -1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.374 -5.351 -2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.826 -5.284 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.001 -2.556 -1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.992 -3.968 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.233 -3.160 -2.927 1.00 0.00 H new ATOM 510 N LEU A 33 5.117 -6.495 -2.946 1.00 0.00 N ATOM 511 CA LEU A 33 6.307 -6.562 -2.105 1.00 0.00 C ATOM 512 C LEU A 33 7.504 -5.924 -2.803 1.00 0.00 C ATOM 513 O LEU A 33 8.131 -5.010 -2.269 1.00 0.00 O ATOM 514 CB LEU A 33 6.624 -8.016 -1.751 1.00 0.00 C ATOM 515 CG LEU A 33 5.962 -8.558 -0.484 1.00 0.00 C ATOM 516 CD1 LEU A 33 5.989 -10.079 -0.476 1.00 0.00 C ATOM 517 CD2 LEU A 33 6.649 -8.004 0.756 1.00 0.00 C ATOM 0 H LEU A 33 4.718 -7.403 -3.186 1.00 0.00 H new ATOM 0 HA LEU A 33 6.106 -6.007 -1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.328 -8.646 -2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.704 -8.116 -1.644 1.00 0.00 H new ATOM 0 HG LEU A 33 4.921 -8.234 -0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.513 -10.447 0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.451 -10.457 -1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.022 -10.425 -0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.164 -8.401 1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.699 -8.298 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.577 -6.916 0.757 1.00 0.00 H new ATOM 529 N ALA A 34 7.814 -6.412 -4.000 1.00 0.00 N ATOM 530 CA ALA A 34 8.932 -5.886 -4.773 1.00 0.00 C ATOM 531 C ALA A 34 9.014 -4.368 -4.657 1.00 0.00 C ATOM 532 O ALA A 34 10.083 -3.780 -4.822 1.00 0.00 O ATOM 533 CB ALA A 34 8.807 -6.301 -6.231 1.00 0.00 C ATOM 0 H ALA A 34 7.306 -7.171 -4.455 1.00 0.00 H new ATOM 0 HA ALA A 34 9.852 -6.305 -4.366 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.649 -5.901 -6.797 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.807 -7.389 -6.301 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.876 -5.911 -6.642 1.00 0.00 H new ATOM 539 N ARG A 35 7.878 -3.738 -4.375 1.00 0.00 N ATOM 540 CA ARG A 35 7.822 -2.288 -4.239 1.00 0.00 C ATOM 541 C ARG A 35 8.194 -1.859 -2.823 1.00 0.00 C ATOM 542 O ARG A 35 8.849 -0.835 -2.625 1.00 0.00 O ATOM 543 CB ARG A 35 6.423 -1.776 -4.588 1.00 0.00 C ATOM 544 CG ARG A 35 6.164 -1.682 -6.083 1.00 0.00 C ATOM 545 CD ARG A 35 7.158 -0.754 -6.764 1.00 0.00 C ATOM 546 NE ARG A 35 6.759 -0.434 -8.131 1.00 0.00 N ATOM 547 CZ ARG A 35 6.930 -1.257 -9.159 1.00 0.00 C ATOM 548 NH1 ARG A 35 7.489 -2.445 -8.975 1.00 0.00 N ATOM 549 NH2 ARG A 35 6.541 -0.894 -10.375 1.00 0.00 N ATOM 0 H ARG A 35 6.984 -4.209 -4.236 1.00 0.00 H new ATOM 0 HA ARG A 35 8.544 -1.855 -4.932 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.681 -2.437 -4.140 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.284 -0.792 -4.141 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.228 -2.675 -6.528 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.150 -1.321 -6.256 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.248 0.167 -6.188 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.143 -1.222 -6.774 1.00 0.00 H new ATOM 0 HE ARG A 35 6.325 0.472 -8.306 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.789 -2.729 -8.042 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.619 -3.075 -9.766 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.110 0.019 -10.521 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.673 -1.528 -11.163 1.00 0.00 H new ATOM 563 N LEU A 36 7.771 -2.648 -1.842 1.00 0.00 N ATOM 564 CA LEU A 36 8.059 -2.350 -0.443 1.00 0.00 C ATOM 565 C LEU A 36 9.458 -2.824 -0.062 1.00 0.00 C ATOM 566 O LEU A 36 10.247 -2.067 0.502 1.00 0.00 O ATOM 567 CB LEU A 36 7.019 -3.011 0.464 1.00 0.00 C ATOM 568 CG LEU A 36 5.571 -2.563 0.264 1.00 0.00 C ATOM 569 CD1 LEU A 36 4.610 -3.589 0.842 1.00 0.00 C ATOM 570 CD2 LEU A 36 5.343 -1.199 0.898 1.00 0.00 C ATOM 0 H LEU A 36 7.228 -3.499 -1.989 1.00 0.00 H new ATOM 0 HA LEU A 36 8.013 -1.269 -0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.068 -4.089 0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.297 -2.821 1.501 1.00 0.00 H new ATOM 0 HG LEU A 36 5.381 -2.481 -0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.584 -3.253 0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.756 -4.546 0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.800 -3.705 1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.307 -0.896 0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.552 -1.255 1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.007 -0.468 0.436 1.00 0.00 H new ATOM 582 N GLN A 37 9.757 -4.081 -0.376 1.00 0.00 N ATOM 583 CA GLN A 37 11.062 -4.654 -0.068 1.00 0.00 C ATOM 584 C GLN A 37 12.185 -3.764 -0.589 1.00 0.00 C ATOM 585 O GLN A 37 13.188 -3.549 0.091 1.00 0.00 O ATOM 586 CB GLN A 37 11.182 -6.055 -0.671 1.00 0.00 C ATOM 587 CG GLN A 37 10.360 -7.105 0.059 1.00 0.00 C ATOM 588 CD GLN A 37 11.140 -7.793 1.162 1.00 0.00 C ATOM 589 OE1 GLN A 37 12.162 -7.118 1.674 1.00 0.00 O flip ATOM 590 NE2 GLN A 37 10.827 -8.919 1.549 1.00 0.00 N flip ATOM 0 H GLN A 37 9.114 -4.721 -0.843 1.00 0.00 H new ATOM 0 HA GLN A 37 11.154 -4.724 1.016 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.868 -6.020 -1.714 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.230 -6.356 -0.663 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.473 -6.635 0.485 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.013 -7.851 -0.656 1.00 0.00 H new ATOM 0 HE21 GLN A 37 10.034 -9.401 1.127 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.361 -9.370 2.292 1.00 0.00 H new ATOM 599 N LYS A 38 12.011 -3.250 -1.802 1.00 0.00 N ATOM 600 CA LYS A 38 13.008 -2.382 -2.416 1.00 0.00 C ATOM 601 C LYS A 38 13.347 -1.209 -1.501 1.00 0.00 C ATOM 602 O LYS A 38 14.504 -0.800 -1.404 1.00 0.00 O ATOM 603 CB LYS A 38 12.502 -1.862 -3.763 1.00 0.00 C ATOM 604 CG LYS A 38 11.873 -0.481 -3.685 1.00 0.00 C ATOM 605 CD LYS A 38 11.578 0.076 -5.067 1.00 0.00 C ATOM 606 CE LYS A 38 10.147 -0.216 -5.492 1.00 0.00 C ATOM 607 NZ LYS A 38 9.642 0.786 -6.470 1.00 0.00 N ATOM 0 H LYS A 38 11.188 -3.420 -2.380 1.00 0.00 H new ATOM 0 HA LYS A 38 13.913 -2.968 -2.576 1.00 0.00 H new ATOM 0 HB2 LYS A 38 13.333 -1.834 -4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.769 -2.564 -4.162 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.950 -0.533 -3.108 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.543 0.196 -3.154 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.747 1.153 -5.070 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.269 -0.357 -5.790 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.095 -1.211 -5.933 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.502 -0.223 -4.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.807 1.264 -6.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.385 1.488 -6.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.382 0.306 -7.355 1.00 0.00 H new ATOM 621 N ASP A 39 12.332 -0.675 -0.832 1.00 0.00 N ATOM 622 CA ASP A 39 12.522 0.449 0.078 1.00 0.00 C ATOM 623 C ASP A 39 12.967 -0.036 1.454 1.00 0.00 C ATOM 624 O ASP A 39 13.630 0.690 2.194 1.00 0.00 O ATOM 625 CB ASP A 39 11.230 1.258 0.201 1.00 0.00 C ATOM 626 CG ASP A 39 11.097 2.305 -0.887 1.00 0.00 C ATOM 627 OD1 ASP A 39 11.859 3.294 -0.854 1.00 0.00 O ATOM 628 OD2 ASP A 39 10.229 2.137 -1.770 1.00 0.00 O ATOM 0 H ASP A 39 11.368 -1.002 -0.902 1.00 0.00 H new ATOM 0 HA ASP A 39 13.303 1.089 -0.332 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.376 0.582 0.157 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.201 1.745 1.176 1.00 0.00 H new ATOM 633 N GLY A 40 12.597 -1.267 1.791 1.00 0.00 N ATOM 634 CA GLY A 40 12.966 -1.827 3.078 1.00 0.00 C ATOM 635 C GLY A 40 11.791 -2.467 3.791 1.00 0.00 C ATOM 636 O GLY A 40 10.908 -1.772 4.296 1.00 0.00 O ATOM 0 H GLY A 40 12.048 -1.887 1.196 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.750 -2.571 2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.384 -1.041 3.707 1.00 0.00 H new ATOM 640 N VAL A 41 11.777 -3.795 3.831 1.00 0.00 N ATOM 641 CA VAL A 41 10.701 -4.529 4.486 1.00 0.00 C ATOM 642 C VAL A 41 11.238 -5.399 5.617 1.00 0.00 C ATOM 643 O VAL A 41 12.381 -5.850 5.577 1.00 0.00 O ATOM 644 CB VAL A 41 9.938 -5.419 3.486 1.00 0.00 C ATOM 645 CG1 VAL A 41 9.129 -6.477 4.221 1.00 0.00 C ATOM 646 CG2 VAL A 41 9.041 -4.572 2.596 1.00 0.00 C ATOM 0 H VAL A 41 12.499 -4.385 3.417 1.00 0.00 H new ATOM 0 HA VAL A 41 10.016 -3.787 4.896 1.00 0.00 H new ATOM 0 HB VAL A 41 10.664 -5.928 2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.597 -7.096 3.498 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.799 -7.103 4.811 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.410 -5.992 4.881 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.510 -5.217 1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.321 -4.034 3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.649 -3.857 2.041 1.00 0.00 H new ATOM 656 N ASN A 42 10.403 -5.631 6.625 1.00 0.00 N ATOM 657 CA ASN A 42 10.794 -6.448 7.768 1.00 0.00 C ATOM 658 C ASN A 42 10.076 -7.793 7.747 1.00 0.00 C ATOM 659 O ASN A 42 8.848 -7.851 7.677 1.00 0.00 O ATOM 660 CB ASN A 42 10.486 -5.713 9.075 1.00 0.00 C ATOM 661 CG ASN A 42 11.477 -6.048 10.173 1.00 0.00 C ATOM 662 OD1 ASN A 42 11.150 -7.051 10.979 1.00 0.00 O flip ATOM 663 ND2 ASN A 42 12.524 -5.412 10.295 1.00 0.00 N flip ATOM 0 H ASN A 42 9.452 -5.265 6.673 1.00 0.00 H new ATOM 0 HA ASN A 42 11.867 -6.629 7.704 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.496 -4.638 8.895 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.480 -5.971 9.406 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.735 -4.648 9.652 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.181 -5.649 11.039 1.00 0.00 H new ATOM 670 N GLN A 43 10.850 -8.872 7.808 1.00 0.00 N ATOM 671 CA GLN A 43 10.287 -10.217 7.796 1.00 0.00 C ATOM 672 C GLN A 43 8.994 -10.274 8.604 1.00 0.00 C ATOM 673 O GLN A 43 8.062 -10.998 8.254 1.00 0.00 O ATOM 674 CB GLN A 43 11.297 -11.221 8.355 1.00 0.00 C ATOM 675 CG GLN A 43 11.149 -12.619 7.777 1.00 0.00 C ATOM 676 CD GLN A 43 12.214 -13.574 8.280 1.00 0.00 C ATOM 677 OE1 GLN A 43 13.229 -13.793 7.618 1.00 0.00 O ATOM 678 NE2 GLN A 43 11.988 -14.147 9.456 1.00 0.00 N ATOM 0 H GLN A 43 11.868 -8.841 7.866 1.00 0.00 H new ATOM 0 HA GLN A 43 10.060 -10.479 6.763 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.305 -10.859 8.155 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.186 -11.271 9.438 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.165 -13.011 8.032 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.199 -12.566 6.689 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.133 -13.936 9.970 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.670 -14.798 9.845 1.00 0.00 H new ATOM 687 N LYS A 44 8.946 -9.506 9.687 1.00 0.00 N ATOM 688 CA LYS A 44 7.768 -9.467 10.545 1.00 0.00 C ATOM 689 C LYS A 44 6.545 -8.989 9.770 1.00 0.00 C ATOM 690 O LYS A 44 5.463 -9.565 9.881 1.00 0.00 O ATOM 691 CB LYS A 44 8.016 -8.550 11.745 1.00 0.00 C ATOM 692 CG LYS A 44 6.747 -8.156 12.482 1.00 0.00 C ATOM 693 CD LYS A 44 6.214 -9.302 13.327 1.00 0.00 C ATOM 694 CE LYS A 44 5.096 -8.841 14.248 1.00 0.00 C ATOM 695 NZ LYS A 44 4.436 -9.986 14.935 1.00 0.00 N ATOM 0 H LYS A 44 9.710 -8.902 9.991 1.00 0.00 H new ATOM 0 HA LYS A 44 7.576 -10.479 10.902 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.690 -9.050 12.441 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.523 -7.648 11.403 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.948 -7.295 13.120 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.988 -7.849 11.763 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.847 -10.095 12.676 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.024 -9.726 13.920 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.499 -8.154 14.992 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.355 -8.288 13.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.680 -9.630 15.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.030 -10.629 14.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.137 -10.499 15.506 1.00 0.00 H new ATOM 709 N ASP A 45 6.724 -7.933 8.984 1.00 0.00 N ATOM 710 CA ASP A 45 5.636 -7.378 8.188 1.00 0.00 C ATOM 711 C ASP A 45 5.242 -8.333 7.065 1.00 0.00 C ATOM 712 O ASP A 45 4.059 -8.553 6.809 1.00 0.00 O ATOM 713 CB ASP A 45 6.041 -6.024 7.604 1.00 0.00 C ATOM 714 CG ASP A 45 5.742 -4.874 8.545 1.00 0.00 C ATOM 715 OD1 ASP A 45 4.612 -4.819 9.073 1.00 0.00 O ATOM 716 OD2 ASP A 45 6.637 -4.029 8.754 1.00 0.00 O ATOM 0 H ASP A 45 7.613 -7.444 8.881 1.00 0.00 H new ATOM 0 HA ASP A 45 4.775 -7.240 8.842 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.107 -6.035 7.375 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.515 -5.866 6.663 1.00 0.00 H new ATOM 721 N LYS A 46 6.243 -8.897 6.398 1.00 0.00 N ATOM 722 CA LYS A 46 6.003 -9.829 5.302 1.00 0.00 C ATOM 723 C LYS A 46 4.807 -10.727 5.603 1.00 0.00 C ATOM 724 O LYS A 46 3.996 -11.011 4.723 1.00 0.00 O ATOM 725 CB LYS A 46 7.247 -10.685 5.052 1.00 0.00 C ATOM 726 CG LYS A 46 8.306 -9.990 4.215 1.00 0.00 C ATOM 727 CD LYS A 46 9.078 -10.979 3.358 1.00 0.00 C ATOM 728 CE LYS A 46 10.040 -11.809 4.194 1.00 0.00 C ATOM 729 NZ LYS A 46 9.355 -12.959 4.848 1.00 0.00 N ATOM 0 H LYS A 46 7.229 -8.725 6.597 1.00 0.00 H new ATOM 0 HA LYS A 46 5.782 -9.249 4.406 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.682 -10.968 6.011 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.949 -11.607 4.553 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.834 -9.244 3.575 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.996 -9.458 4.869 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.379 -11.639 2.843 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.633 -10.441 2.590 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.846 -12.179 3.560 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.497 -11.178 4.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.023 -13.750 4.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.015 -12.672 5.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.548 -13.260 4.265 1.00 0.00 H new ATOM 743 N ASN A 47 4.704 -11.168 6.853 1.00 0.00 N ATOM 744 CA ASN A 47 3.606 -12.033 7.269 1.00 0.00 C ATOM 745 C ASN A 47 2.299 -11.250 7.354 1.00 0.00 C ATOM 746 O ASN A 47 1.251 -11.722 6.915 1.00 0.00 O ATOM 747 CB ASN A 47 3.919 -12.673 8.623 1.00 0.00 C ATOM 748 CG ASN A 47 3.260 -14.028 8.788 1.00 0.00 C ATOM 749 OD1 ASN A 47 3.044 -14.749 7.814 1.00 0.00 O ATOM 750 ND2 ASN A 47 2.936 -14.382 10.027 1.00 0.00 N ATOM 0 H ASN A 47 5.367 -10.941 7.594 1.00 0.00 H new ATOM 0 HA ASN A 47 3.491 -12.818 6.521 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.998 -12.782 8.730 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.585 -12.010 9.421 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.490 -15.283 10.200 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.134 -13.753 10.805 1.00 0.00 H new ATOM 757 N SER A 48 2.370 -10.050 7.922 1.00 0.00 N ATOM 758 CA SER A 48 1.193 -9.202 8.068 1.00 0.00 C ATOM 759 C SER A 48 0.625 -8.823 6.704 1.00 0.00 C ATOM 760 O SER A 48 -0.591 -8.804 6.508 1.00 0.00 O ATOM 761 CB SER A 48 1.542 -7.939 8.857 1.00 0.00 C ATOM 762 OG SER A 48 2.115 -8.264 10.112 1.00 0.00 O ATOM 0 H SER A 48 3.231 -9.643 8.289 1.00 0.00 H new ATOM 0 HA SER A 48 0.436 -9.764 8.614 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.239 -7.328 8.283 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.643 -7.341 9.008 1.00 0.00 H new ATOM 0 HG SER A 48 2.331 -7.440 10.596 1.00 0.00 H new ATOM 768 N LEU A 49 1.513 -8.521 5.763 1.00 0.00 N ATOM 769 CA LEU A 49 1.102 -8.141 4.416 1.00 0.00 C ATOM 770 C LEU A 49 -0.092 -8.971 3.957 1.00 0.00 C ATOM 771 O LEU A 49 -1.200 -8.455 3.812 1.00 0.00 O ATOM 772 CB LEU A 49 2.266 -8.316 3.438 1.00 0.00 C ATOM 773 CG LEU A 49 2.249 -7.410 2.206 1.00 0.00 C ATOM 774 CD1 LEU A 49 3.153 -7.971 1.120 1.00 0.00 C ATOM 775 CD2 LEU A 49 0.829 -7.242 1.687 1.00 0.00 C ATOM 0 H LEU A 49 2.523 -8.532 5.908 1.00 0.00 H new ATOM 0 HA LEU A 49 0.806 -7.092 4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.197 -8.144 3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.279 -9.353 3.102 1.00 0.00 H new ATOM 0 HG LEU A 49 2.627 -6.429 2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.129 -7.314 0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.174 -8.039 1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.805 -8.964 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.836 -6.594 0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.423 -8.216 1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.208 -6.795 2.463 1.00 0.00 H new ATOM 787 N GLY A 50 0.141 -10.260 3.731 1.00 0.00 N ATOM 788 CA GLY A 50 -0.926 -11.141 3.293 1.00 0.00 C ATOM 789 C GLY A 50 -2.236 -10.863 4.003 1.00 0.00 C ATOM 790 O GLY A 50 -3.305 -10.938 3.398 1.00 0.00 O ATOM 0 H GLY A 50 1.049 -10.710 3.843 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.068 -11.028 2.218 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.634 -12.176 3.469 1.00 0.00 H new ATOM 794 N ALA A 51 -2.154 -10.541 5.289 1.00 0.00 N ATOM 795 CA ALA A 51 -3.342 -10.250 6.082 1.00 0.00 C ATOM 796 C ALA A 51 -3.858 -8.843 5.801 1.00 0.00 C ATOM 797 O ALA A 51 -5.066 -8.604 5.801 1.00 0.00 O ATOM 798 CB ALA A 51 -3.042 -10.418 7.564 1.00 0.00 C ATOM 0 H ALA A 51 -1.276 -10.475 5.805 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.121 -10.958 5.798 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.938 -10.197 8.144 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.728 -11.444 7.758 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.245 -9.733 7.854 1.00 0.00 H new ATOM 804 N ILE A 52 -2.937 -7.916 5.563 1.00 0.00 N ATOM 805 CA ILE A 52 -3.300 -6.533 5.280 1.00 0.00 C ATOM 806 C ILE A 52 -3.981 -6.410 3.922 1.00 0.00 C ATOM 807 O ILE A 52 -4.957 -5.674 3.768 1.00 0.00 O ATOM 808 CB ILE A 52 -2.067 -5.610 5.309 1.00 0.00 C ATOM 809 CG1 ILE A 52 -1.408 -5.647 6.690 1.00 0.00 C ATOM 810 CG2 ILE A 52 -2.462 -4.187 4.943 1.00 0.00 C ATOM 811 CD1 ILE A 52 -0.109 -4.874 6.760 1.00 0.00 C ATOM 0 H ILE A 52 -1.933 -8.097 5.560 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.994 -6.223 6.061 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.346 -5.967 4.573 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.103 -5.242 7.426 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.220 -6.684 6.966 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.580 -3.547 4.968 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.891 -4.175 3.941 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.198 -3.819 5.657 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.302 -4.944 7.767 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.602 -5.293 6.048 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.294 -3.828 6.515 1.00 0.00 H new ATOM 823 N LEU A 53 -3.462 -7.137 2.938 1.00 0.00 N ATOM 824 CA LEU A 53 -4.021 -7.111 1.591 1.00 0.00 C ATOM 825 C LEU A 53 -5.518 -7.403 1.617 1.00 0.00 C ATOM 826 O LEU A 53 -6.279 -6.861 0.816 1.00 0.00 O ATOM 827 CB LEU A 53 -3.307 -8.131 0.702 1.00 0.00 C ATOM 828 CG LEU A 53 -1.941 -7.708 0.160 1.00 0.00 C ATOM 829 CD1 LEU A 53 -1.080 -8.928 -0.127 1.00 0.00 C ATOM 830 CD2 LEU A 53 -2.103 -6.861 -1.094 1.00 0.00 C ATOM 0 H LEU A 53 -2.655 -7.751 3.048 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.871 -6.112 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.181 -9.053 1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.955 -8.363 -0.143 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.441 -7.106 0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.112 -8.608 -0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.935 -9.496 0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.575 -9.557 -0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.121 -6.569 -1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.623 -7.438 -1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.681 -5.968 -0.858 1.00 0.00 H new ATOM 842 N GLN A 54 -5.933 -8.260 2.544 1.00 0.00 N ATOM 843 CA GLN A 54 -7.339 -8.622 2.675 1.00 0.00 C ATOM 844 C GLN A 54 -8.056 -7.681 3.638 1.00 0.00 C ATOM 845 O GLN A 54 -9.285 -7.643 3.682 1.00 0.00 O ATOM 846 CB GLN A 54 -7.473 -10.067 3.160 1.00 0.00 C ATOM 847 CG GLN A 54 -8.855 -10.402 3.698 1.00 0.00 C ATOM 848 CD GLN A 54 -9.181 -11.878 3.587 1.00 0.00 C ATOM 849 OE1 GLN A 54 -8.720 -12.561 2.672 1.00 0.00 O ATOM 850 NE2 GLN A 54 -9.980 -12.380 4.522 1.00 0.00 N ATOM 0 H GLN A 54 -5.316 -8.717 3.215 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.804 -8.531 1.693 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.240 -10.741 2.336 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.734 -10.250 3.940 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.918 -10.097 4.743 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.603 -9.826 3.152 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.340 -11.778 5.263 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.234 -13.368 4.499 1.00 0.00 H new ATOM 859 N GLN A 55 -7.279 -6.925 4.406 1.00 0.00 N ATOM 860 CA GLN A 55 -7.841 -5.985 5.369 1.00 0.00 C ATOM 861 C GLN A 55 -8.016 -4.605 4.744 1.00 0.00 C ATOM 862 O GLN A 55 -8.847 -3.812 5.187 1.00 0.00 O ATOM 863 CB GLN A 55 -6.943 -5.889 6.604 1.00 0.00 C ATOM 864 CG GLN A 55 -7.001 -7.118 7.496 1.00 0.00 C ATOM 865 CD GLN A 55 -8.137 -7.059 8.497 1.00 0.00 C ATOM 866 OE1 GLN A 55 -9.176 -7.694 8.313 1.00 0.00 O ATOM 867 NE2 GLN A 55 -7.946 -6.294 9.566 1.00 0.00 N ATOM 0 H GLN A 55 -6.260 -6.945 4.381 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.821 -6.354 5.670 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.913 -5.732 6.283 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.232 -5.014 7.186 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.114 -8.007 6.876 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.056 -7.220 8.030 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.069 -5.785 9.679 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.676 -6.216 10.274 1.00 0.00 H new ATOM 876 N VAL A 56 -7.227 -4.324 3.712 1.00 0.00 N ATOM 877 CA VAL A 56 -7.295 -3.039 3.025 1.00 0.00 C ATOM 878 C VAL A 56 -7.644 -3.222 1.552 1.00 0.00 C ATOM 879 O VAL A 56 -8.210 -2.328 0.923 1.00 0.00 O ATOM 880 CB VAL A 56 -5.963 -2.273 3.135 1.00 0.00 C ATOM 881 CG1 VAL A 56 -5.595 -2.048 4.593 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.857 -3.021 2.406 1.00 0.00 C ATOM 0 H VAL A 56 -6.533 -4.969 3.333 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.080 -2.460 3.512 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.084 -1.299 2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.651 -1.506 4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.378 -1.467 5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.492 -3.010 5.095 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.923 -2.466 2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.734 -4.010 2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.120 -3.124 1.353 1.00 0.00 H new ATOM 892 N ALA A 57 -7.303 -4.386 1.009 1.00 0.00 N ATOM 893 CA ALA A 57 -7.583 -4.687 -0.390 1.00 0.00 C ATOM 894 C ALA A 57 -8.417 -5.956 -0.522 1.00 0.00 C ATOM 895 O ALA A 57 -8.727 -6.613 0.471 1.00 0.00 O ATOM 896 CB ALA A 57 -6.284 -4.822 -1.170 1.00 0.00 C ATOM 0 H ALA A 57 -6.833 -5.136 1.516 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.159 -3.861 -0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.507 -5.047 -2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.726 -3.888 -1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.687 -5.629 -0.745 1.00 0.00 H new ATOM 902 N ASN A 58 -8.778 -6.296 -1.755 1.00 0.00 N ATOM 903 CA ASN A 58 -9.577 -7.487 -2.016 1.00 0.00 C ATOM 904 C ASN A 58 -8.920 -8.361 -3.080 1.00 0.00 C ATOM 905 O ASN A 58 -8.556 -7.882 -4.155 1.00 0.00 O ATOM 906 CB ASN A 58 -10.987 -7.093 -2.464 1.00 0.00 C ATOM 907 CG ASN A 58 -11.777 -6.420 -1.358 1.00 0.00 C ATOM 908 OD1 ASN A 58 -11.880 -6.942 -0.248 1.00 0.00 O ATOM 909 ND2 ASN A 58 -12.340 -5.256 -1.657 1.00 0.00 N ATOM 0 H ASN A 58 -8.530 -5.763 -2.589 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.643 -8.059 -1.091 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.919 -6.421 -3.319 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.521 -7.982 -2.799 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.884 -4.757 -0.953 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.228 -4.860 -2.590 1.00 0.00 H new ATOM 916 N LEU A 59 -8.772 -9.645 -2.774 1.00 0.00 N ATOM 917 CA LEU A 59 -8.159 -10.588 -3.704 1.00 0.00 C ATOM 918 C LEU A 59 -9.153 -11.015 -4.780 1.00 0.00 C ATOM 919 O LEU A 59 -10.296 -11.358 -4.482 1.00 0.00 O ATOM 920 CB LEU A 59 -7.645 -11.816 -2.951 1.00 0.00 C ATOM 921 CG LEU A 59 -6.430 -12.516 -3.560 1.00 0.00 C ATOM 922 CD1 LEU A 59 -5.946 -13.634 -2.650 1.00 0.00 C ATOM 923 CD2 LEU A 59 -6.763 -13.058 -4.943 1.00 0.00 C ATOM 0 H LEU A 59 -9.068 -10.057 -1.889 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.319 -10.090 -4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.394 -11.515 -1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.457 -12.539 -2.878 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.628 -11.785 -3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.081 -14.121 -3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.666 -13.219 -1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.744 -14.364 -2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.886 -13.553 -5.361 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.581 -13.774 -4.866 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.060 -12.236 -5.594 1.00 0.00 H new ATOM 935 N ASN A 60 -8.707 -10.994 -6.032 1.00 0.00 N ATOM 936 CA ASN A 60 -9.556 -11.382 -7.152 1.00 0.00 C ATOM 937 C ASN A 60 -9.075 -12.689 -7.773 1.00 0.00 C ATOM 938 O ASN A 60 -8.191 -12.693 -8.630 1.00 0.00 O ATOM 939 CB ASN A 60 -9.575 -10.277 -8.211 1.00 0.00 C ATOM 940 CG ASN A 60 -10.871 -10.252 -8.997 1.00 0.00 C ATOM 941 OD1 ASN A 60 -11.902 -10.739 -8.533 1.00 0.00 O ATOM 942 ND2 ASN A 60 -10.825 -9.682 -10.196 1.00 0.00 N ATOM 0 H ASN A 60 -7.763 -10.712 -6.296 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.567 -11.532 -6.774 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.428 -9.311 -7.727 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.740 -10.420 -8.897 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.666 -9.635 -10.771 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.949 -9.291 -10.541 1.00 0.00 H new ATOM 949 N SER A 61 -9.663 -13.798 -7.335 1.00 0.00 N ATOM 950 CA SER A 61 -9.292 -15.113 -7.846 1.00 0.00 C ATOM 951 C SER A 61 -9.029 -15.058 -9.348 1.00 0.00 C ATOM 952 O SER A 61 -8.255 -15.851 -9.884 1.00 0.00 O ATOM 953 CB SER A 61 -10.395 -16.129 -7.547 1.00 0.00 C ATOM 954 OG SER A 61 -9.895 -17.454 -7.593 1.00 0.00 O ATOM 0 H SER A 61 -10.398 -13.812 -6.628 1.00 0.00 H new ATOM 0 HA SER A 61 -8.375 -15.425 -7.345 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.819 -15.931 -6.562 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.203 -16.017 -8.270 1.00 0.00 H new ATOM 0 HG SER A 61 -10.620 -18.084 -7.397 1.00 0.00 H new ATOM 960 N LYS A 62 -9.678 -14.115 -10.022 1.00 0.00 N ATOM 961 CA LYS A 62 -9.516 -13.953 -11.461 1.00 0.00 C ATOM 962 C LYS A 62 -8.040 -13.948 -11.845 1.00 0.00 C ATOM 963 O LYS A 62 -7.554 -14.875 -12.495 1.00 0.00 O ATOM 964 CB LYS A 62 -10.179 -12.655 -11.928 1.00 0.00 C ATOM 965 CG LYS A 62 -10.677 -12.708 -13.362 1.00 0.00 C ATOM 966 CD LYS A 62 -12.081 -13.283 -13.443 1.00 0.00 C ATOM 967 CE LYS A 62 -12.809 -12.803 -14.690 1.00 0.00 C ATOM 968 NZ LYS A 62 -12.250 -13.414 -15.928 1.00 0.00 N ATOM 0 H LYS A 62 -10.322 -13.450 -9.593 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.999 -14.798 -11.952 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.017 -12.428 -11.269 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.466 -11.837 -11.830 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.668 -11.705 -13.789 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.999 -13.315 -13.962 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.030 -14.372 -13.447 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.646 -12.994 -12.557 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.868 -13.049 -14.610 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.738 -11.717 -14.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.773 -13.062 -16.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.246 -13.159 -16.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.341 -14.449 -15.876 1.00 0.00 H new ATOM 982 N ASP A 63 -7.331 -12.901 -11.438 1.00 0.00 N ATOM 983 CA ASP A 63 -5.909 -12.777 -11.737 1.00 0.00 C ATOM 984 C ASP A 63 -5.080 -12.806 -10.457 1.00 0.00 C ATOM 985 O ASP A 63 -3.933 -12.357 -10.437 1.00 0.00 O ATOM 986 CB ASP A 63 -5.638 -11.483 -12.506 1.00 0.00 C ATOM 987 CG ASP A 63 -4.215 -11.403 -13.023 1.00 0.00 C ATOM 988 OD1 ASP A 63 -3.948 -11.956 -14.110 1.00 0.00 O ATOM 989 OD2 ASP A 63 -3.369 -10.790 -12.340 1.00 0.00 O ATOM 0 H ASP A 63 -7.718 -12.126 -10.900 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.618 -13.626 -12.356 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.331 -11.410 -13.345 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.834 -10.630 -11.856 1.00 0.00 H new ATOM 994 N LEU A 64 -5.667 -13.337 -9.390 1.00 0.00 N ATOM 995 CA LEU A 64 -4.983 -13.423 -8.104 1.00 0.00 C ATOM 996 C LEU A 64 -4.342 -12.089 -7.737 1.00 0.00 C ATOM 997 O LEU A 64 -3.362 -12.044 -6.994 1.00 0.00 O ATOM 998 CB LEU A 64 -3.918 -14.521 -8.144 1.00 0.00 C ATOM 999 CG LEU A 64 -4.403 -15.939 -7.843 1.00 0.00 C ATOM 1000 CD1 LEU A 64 -3.364 -16.962 -8.276 1.00 0.00 C ATOM 1001 CD2 LEU A 64 -4.720 -16.091 -6.362 1.00 0.00 C ATOM 0 H LEU A 64 -6.615 -13.714 -9.390 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.723 -13.670 -7.342 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.459 -14.518 -9.133 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.136 -14.267 -7.429 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.317 -16.118 -8.410 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.727 -17.966 -8.054 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.187 -16.869 -9.347 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.433 -16.785 -7.737 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.064 -17.107 -6.166 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.823 -15.892 -5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.501 -15.383 -6.082 1.00 0.00 H new ATOM 1013 N SER A 65 -4.903 -11.004 -8.262 1.00 0.00 N ATOM 1014 CA SER A 65 -4.385 -9.669 -7.991 1.00 0.00 C ATOM 1015 C SER A 65 -5.176 -8.996 -6.873 1.00 0.00 C ATOM 1016 O SER A 65 -6.392 -9.160 -6.772 1.00 0.00 O ATOM 1017 CB SER A 65 -4.440 -8.811 -9.257 1.00 0.00 C ATOM 1018 OG SER A 65 -5.778 -8.597 -9.670 1.00 0.00 O ATOM 0 H SER A 65 -5.716 -11.024 -8.877 1.00 0.00 H new ATOM 0 HA SER A 65 -3.348 -9.767 -7.671 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.956 -7.852 -9.072 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.883 -9.300 -10.056 1.00 0.00 H new ATOM 0 HG SER A 65 -5.786 -8.045 -10.480 1.00 0.00 H new ATOM 1024 N TYR A 66 -4.477 -8.238 -6.035 1.00 0.00 N ATOM 1025 CA TYR A 66 -5.112 -7.542 -4.922 1.00 0.00 C ATOM 1026 C TYR A 66 -5.516 -6.127 -5.325 1.00 0.00 C ATOM 1027 O TYR A 66 -4.709 -5.365 -5.858 1.00 0.00 O ATOM 1028 CB TYR A 66 -4.168 -7.492 -3.720 1.00 0.00 C ATOM 1029 CG TYR A 66 -4.083 -8.798 -2.962 1.00 0.00 C ATOM 1030 CD1 TYR A 66 -5.118 -9.210 -2.131 1.00 0.00 C ATOM 1031 CD2 TYR A 66 -2.968 -9.619 -3.077 1.00 0.00 C ATOM 1032 CE1 TYR A 66 -5.044 -10.402 -1.436 1.00 0.00 C ATOM 1033 CE2 TYR A 66 -2.887 -10.813 -2.387 1.00 0.00 C ATOM 1034 CZ TYR A 66 -3.927 -11.200 -1.567 1.00 0.00 C ATOM 1035 OH TYR A 66 -3.851 -12.388 -0.878 1.00 0.00 O ATOM 0 H TYR A 66 -3.470 -8.090 -6.105 1.00 0.00 H new ATOM 0 HA TYR A 66 -6.011 -8.093 -4.647 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.171 -7.215 -4.063 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.500 -6.708 -3.040 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.995 -8.588 -2.027 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.151 -9.319 -3.716 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.857 -10.707 -0.794 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.014 -11.440 -2.489 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.534 -12.403 -0.176 1.00 0.00 H new ATOM 1045 N THR A 67 -6.774 -5.782 -5.065 1.00 0.00 N ATOM 1046 CA THR A 67 -7.288 -4.460 -5.399 1.00 0.00 C ATOM 1047 C THR A 67 -7.627 -3.668 -4.142 1.00 0.00 C ATOM 1048 O THR A 67 -8.403 -4.122 -3.300 1.00 0.00 O ATOM 1049 CB THR A 67 -8.543 -4.554 -6.288 1.00 0.00 C ATOM 1050 OG1 THR A 67 -9.632 -5.107 -5.541 1.00 0.00 O ATOM 1051 CG2 THR A 67 -8.274 -5.412 -7.515 1.00 0.00 C ATOM 0 H THR A 67 -7.455 -6.400 -4.624 1.00 0.00 H new ATOM 0 HA THR A 67 -6.501 -3.944 -5.948 1.00 0.00 H new ATOM 0 HB THR A 67 -8.804 -3.549 -6.618 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.471 -4.977 -4.583 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.174 -5.464 -8.127 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.464 -4.971 -8.097 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.990 -6.417 -7.201 1.00 0.00 H new ATOM 1059 N LEU A 68 -7.043 -2.481 -4.021 1.00 0.00 N ATOM 1060 CA LEU A 68 -7.285 -1.624 -2.865 1.00 0.00 C ATOM 1061 C LEU A 68 -8.777 -1.365 -2.682 1.00 0.00 C ATOM 1062 O LEU A 68 -9.469 -0.968 -3.619 1.00 0.00 O ATOM 1063 CB LEU A 68 -6.541 -0.297 -3.025 1.00 0.00 C ATOM 1064 CG LEU A 68 -6.085 0.377 -1.731 1.00 0.00 C ATOM 1065 CD1 LEU A 68 -6.012 1.886 -1.912 1.00 0.00 C ATOM 1066 CD2 LEU A 68 -7.021 0.021 -0.585 1.00 0.00 C ATOM 0 H LEU A 68 -6.399 -2.090 -4.709 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.913 -2.138 -1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.665 -0.468 -3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.187 0.396 -3.564 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.088 0.012 -1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.686 2.349 -0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.301 2.124 -2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.997 2.268 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.681 0.510 0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.030 0.357 -0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.023 -1.059 -0.439 1.00 0.00 H new ATOM 1078 N LYS A 69 -9.266 -1.591 -1.467 1.00 0.00 N ATOM 1079 CA LYS A 69 -10.675 -1.379 -1.158 1.00 0.00 C ATOM 1080 C LYS A 69 -11.122 0.015 -1.584 1.00 0.00 C ATOM 1081 O LYS A 69 -10.356 0.766 -2.188 1.00 0.00 O ATOM 1082 CB LYS A 69 -10.924 -1.571 0.340 1.00 0.00 C ATOM 1083 CG LYS A 69 -11.015 -3.028 0.760 1.00 0.00 C ATOM 1084 CD LYS A 69 -10.851 -3.186 2.263 1.00 0.00 C ATOM 1085 CE LYS A 69 -10.642 -4.642 2.650 1.00 0.00 C ATOM 1086 NZ LYS A 69 -11.932 -5.336 2.916 1.00 0.00 N ATOM 0 H LYS A 69 -8.707 -1.921 -0.680 1.00 0.00 H new ATOM 0 HA LYS A 69 -11.258 -2.113 -1.714 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.120 -1.090 0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.849 -1.064 0.614 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.978 -3.437 0.453 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.246 -3.605 0.246 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.002 -2.593 2.602 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.734 -2.797 2.770 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.110 -5.158 1.850 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.011 -4.695 3.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.747 -6.326 3.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.428 -4.860 3.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.524 -5.308 2.061 1.00 0.00 H new ATOM 1100 N ASP A 70 -12.366 0.356 -1.264 1.00 0.00 N ATOM 1101 CA ASP A 70 -12.914 1.662 -1.612 1.00 0.00 C ATOM 1102 C ASP A 70 -12.822 2.622 -0.430 1.00 0.00 C ATOM 1103 O ASP A 70 -12.454 3.786 -0.590 1.00 0.00 O ATOM 1104 CB ASP A 70 -14.369 1.525 -2.061 1.00 0.00 C ATOM 1105 CG ASP A 70 -15.218 0.773 -1.055 1.00 0.00 C ATOM 1106 OD1 ASP A 70 -15.185 -0.475 -1.067 1.00 0.00 O ATOM 1107 OD2 ASP A 70 -15.914 1.433 -0.255 1.00 0.00 O ATOM 0 H ASP A 70 -13.013 -0.254 -0.764 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.325 2.068 -2.434 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.792 2.517 -2.219 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.403 1.007 -3.020 1.00 0.00 H new ATOM 1112 N TYR A 71 -13.159 2.127 0.756 1.00 0.00 N ATOM 1113 CA TYR A 71 -13.118 2.942 1.964 1.00 0.00 C ATOM 1114 C TYR A 71 -11.685 3.342 2.303 1.00 0.00 C ATOM 1115 O TYR A 71 -11.423 4.477 2.702 1.00 0.00 O ATOM 1116 CB TYR A 71 -13.737 2.182 3.138 1.00 0.00 C ATOM 1117 CG TYR A 71 -12.726 1.432 3.976 1.00 0.00 C ATOM 1118 CD1 TYR A 71 -12.269 0.178 3.590 1.00 0.00 C ATOM 1119 CD2 TYR A 71 -12.229 1.977 5.153 1.00 0.00 C ATOM 1120 CE1 TYR A 71 -11.345 -0.511 4.353 1.00 0.00 C ATOM 1121 CE2 TYR A 71 -11.304 1.296 5.920 1.00 0.00 C ATOM 1122 CZ TYR A 71 -10.866 0.052 5.516 1.00 0.00 C ATOM 1123 OH TYR A 71 -9.946 -0.630 6.279 1.00 0.00 O ATOM 0 H TYR A 71 -13.464 1.165 0.906 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.696 3.848 1.780 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -14.272 2.887 3.774 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -14.474 1.476 2.755 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -12.642 -0.266 2.679 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.572 2.950 5.474 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.000 -1.485 4.039 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.926 1.735 6.831 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.711 -0.094 7.065 1.00 0.00 H new ATOM 1133 N VAL A 72 -10.760 2.402 2.139 1.00 0.00 N ATOM 1134 CA VAL A 72 -9.353 2.655 2.425 1.00 0.00 C ATOM 1135 C VAL A 72 -8.856 3.892 1.684 1.00 0.00 C ATOM 1136 O VAL A 72 -7.981 4.609 2.169 1.00 0.00 O ATOM 1137 CB VAL A 72 -8.476 1.450 2.036 1.00 0.00 C ATOM 1138 CG1 VAL A 72 -7.020 1.713 2.392 1.00 0.00 C ATOM 1139 CG2 VAL A 72 -8.979 0.185 2.714 1.00 0.00 C ATOM 0 H VAL A 72 -10.960 1.458 1.809 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.273 2.821 3.499 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.542 1.307 0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.415 0.851 2.110 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.668 2.594 1.856 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.933 1.882 3.465 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.348 -0.657 2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.944 0.314 3.796 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.006 -0.010 2.405 1.00 0.00 H new ATOM 1149 N PHE A 73 -9.420 4.136 0.506 1.00 0.00 N ATOM 1150 CA PHE A 73 -9.034 5.286 -0.303 1.00 0.00 C ATOM 1151 C PHE A 73 -9.027 6.562 0.534 1.00 0.00 C ATOM 1152 O PHE A 73 -8.221 7.464 0.306 1.00 0.00 O ATOM 1153 CB PHE A 73 -9.988 5.446 -1.488 1.00 0.00 C ATOM 1154 CG PHE A 73 -9.761 4.441 -2.581 1.00 0.00 C ATOM 1155 CD1 PHE A 73 -8.481 4.177 -3.043 1.00 0.00 C ATOM 1156 CD2 PHE A 73 -10.827 3.759 -3.146 1.00 0.00 C ATOM 1157 CE1 PHE A 73 -8.268 3.253 -4.048 1.00 0.00 C ATOM 1158 CE2 PHE A 73 -10.620 2.833 -4.151 1.00 0.00 C ATOM 1159 CZ PHE A 73 -9.339 2.580 -4.603 1.00 0.00 C ATOM 0 H PHE A 73 -10.146 3.553 0.090 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.025 5.112 -0.678 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.014 5.358 -1.132 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.878 6.449 -1.900 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.640 4.700 -2.612 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.830 3.953 -2.797 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.266 3.057 -4.399 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.459 2.308 -4.583 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.175 1.857 -5.389 1.00 0.00 H new ATOM 1169 N LYS A 74 -9.931 6.630 1.506 1.00 0.00 N ATOM 1170 CA LYS A 74 -10.030 7.793 2.379 1.00 0.00 C ATOM 1171 C LYS A 74 -8.873 7.828 3.372 1.00 0.00 C ATOM 1172 O LYS A 74 -8.418 8.900 3.770 1.00 0.00 O ATOM 1173 CB LYS A 74 -11.362 7.779 3.132 1.00 0.00 C ATOM 1174 CG LYS A 74 -11.314 7.006 4.439 1.00 0.00 C ATOM 1175 CD LYS A 74 -12.670 6.984 5.124 1.00 0.00 C ATOM 1176 CE LYS A 74 -13.682 6.174 4.330 1.00 0.00 C ATOM 1177 NZ LYS A 74 -14.784 5.664 5.193 1.00 0.00 N ATOM 0 H LYS A 74 -10.606 5.892 1.709 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.980 8.687 1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.664 8.806 3.338 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.128 7.344 2.490 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.986 5.984 4.247 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.577 7.458 5.103 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.567 6.561 6.123 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.034 8.004 5.246 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.099 6.793 3.536 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.179 5.335 3.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.453 5.117 4.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.389 5.053 5.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.281 6.466 5.632 1.00 0.00 H new ATOM 1191 N GLU A 75 -8.401 6.650 3.767 1.00 0.00 N ATOM 1192 CA GLU A 75 -7.296 6.548 4.713 1.00 0.00 C ATOM 1193 C GLU A 75 -5.992 7.024 4.080 1.00 0.00 C ATOM 1194 O GLU A 75 -5.058 7.420 4.778 1.00 0.00 O ATOM 1195 CB GLU A 75 -7.143 5.105 5.199 1.00 0.00 C ATOM 1196 CG GLU A 75 -8.360 4.581 5.944 1.00 0.00 C ATOM 1197 CD GLU A 75 -8.033 3.402 6.839 1.00 0.00 C ATOM 1198 OE1 GLU A 75 -7.106 2.637 6.497 1.00 0.00 O ATOM 1199 OE2 GLU A 75 -8.703 3.242 7.880 1.00 0.00 O ATOM 0 H GLU A 75 -8.766 5.753 3.447 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.521 7.189 5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.947 4.461 4.342 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.272 5.041 5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.785 5.383 6.547 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.123 4.285 5.224 1.00 0.00 H new ATOM 1206 N LEU A 76 -5.936 6.982 2.753 1.00 0.00 N ATOM 1207 CA LEU A 76 -4.746 7.408 2.024 1.00 0.00 C ATOM 1208 C LEU A 76 -4.363 8.837 2.395 1.00 0.00 C ATOM 1209 O LEU A 76 -5.162 9.573 2.973 1.00 0.00 O ATOM 1210 CB LEU A 76 -4.985 7.307 0.516 1.00 0.00 C ATOM 1211 CG LEU A 76 -5.077 5.892 -0.055 1.00 0.00 C ATOM 1212 CD1 LEU A 76 -5.699 5.916 -1.443 1.00 0.00 C ATOM 1213 CD2 LEU A 76 -3.702 5.243 -0.097 1.00 0.00 C ATOM 0 H LEU A 76 -6.700 6.658 2.160 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.924 6.748 2.301 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.909 7.834 0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.178 7.832 0.004 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.717 5.299 0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.756 4.900 -1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.702 6.340 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.085 6.526 -2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.787 4.236 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.039 5.836 -0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.293 5.191 0.912 1.00 0.00 H new ATOM 1225 N GLN A 77 -3.137 9.222 2.057 1.00 0.00 N ATOM 1226 CA GLN A 77 -2.649 10.564 2.354 1.00 0.00 C ATOM 1227 C GLN A 77 -2.121 11.242 1.094 1.00 0.00 C ATOM 1228 O GLN A 77 -1.121 10.813 0.519 1.00 0.00 O ATOM 1229 CB GLN A 77 -1.548 10.506 3.415 1.00 0.00 C ATOM 1230 CG GLN A 77 -1.978 9.817 4.700 1.00 0.00 C ATOM 1231 CD GLN A 77 -0.964 9.977 5.815 1.00 0.00 C ATOM 1232 OE1 GLN A 77 -1.022 10.932 6.591 1.00 0.00 O ATOM 1233 NE2 GLN A 77 -0.027 9.041 5.902 1.00 0.00 N ATOM 0 H GLN A 77 -2.464 8.624 1.578 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.484 11.150 2.738 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.685 9.983 3.003 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.225 11.521 3.647 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.936 10.225 5.024 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.133 8.756 4.505 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.016 8.267 5.238 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.682 9.096 6.633 1.00 0.00 H new ATOM 1242 N ARG A 78 -2.800 12.303 0.671 1.00 0.00 N ATOM 1243 CA ARG A 78 -2.401 13.040 -0.522 1.00 0.00 C ATOM 1244 C ARG A 78 -0.966 13.542 -0.396 1.00 0.00 C ATOM 1245 O ARG A 78 -0.353 13.954 -1.381 1.00 0.00 O ATOM 1246 CB ARG A 78 -3.346 14.219 -0.760 1.00 0.00 C ATOM 1247 CG ARG A 78 -4.789 13.804 -1.000 1.00 0.00 C ATOM 1248 CD ARG A 78 -5.580 14.910 -1.680 1.00 0.00 C ATOM 1249 NE ARG A 78 -5.841 16.030 -0.779 1.00 0.00 N ATOM 1250 CZ ARG A 78 -6.597 17.073 -1.103 1.00 0.00 C ATOM 1251 NH1 ARG A 78 -7.164 17.139 -2.300 1.00 0.00 N ATOM 1252 NH2 ARG A 78 -6.787 18.053 -0.229 1.00 0.00 N ATOM 0 H ARG A 78 -3.629 12.672 1.137 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.457 12.361 -1.373 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.307 14.885 0.102 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.993 14.789 -1.619 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.813 12.906 -1.617 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.259 13.550 -0.050 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.030 15.266 -2.551 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.526 14.509 -2.043 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.420 16.010 0.150 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.020 16.388 -2.975 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.744 17.941 -2.546 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.352 18.006 0.693 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.368 18.854 -0.479 1.00 0.00 H new ATOM 1266 N ASP A 79 -0.437 13.505 0.822 1.00 0.00 N ATOM 1267 CA ASP A 79 0.926 13.956 1.078 1.00 0.00 C ATOM 1268 C ASP A 79 1.883 12.771 1.165 1.00 0.00 C ATOM 1269 O ASP A 79 2.985 12.889 1.702 1.00 0.00 O ATOM 1270 CB ASP A 79 0.983 14.770 2.371 1.00 0.00 C ATOM 1271 CG ASP A 79 0.275 14.080 3.521 1.00 0.00 C ATOM 1272 OD1 ASP A 79 0.871 13.157 4.115 1.00 0.00 O ATOM 1273 OD2 ASP A 79 -0.874 14.461 3.826 1.00 0.00 O ATOM 0 H ASP A 79 -0.931 13.167 1.648 1.00 0.00 H new ATOM 0 HA ASP A 79 1.235 14.589 0.246 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.024 14.945 2.641 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.529 15.747 2.202 1.00 0.00 H new ATOM 1278 N TRP A 80 1.455 11.631 0.636 1.00 0.00 N ATOM 1279 CA TRP A 80 2.273 10.424 0.655 1.00 0.00 C ATOM 1280 C TRP A 80 3.539 10.611 -0.174 1.00 0.00 C ATOM 1281 O TRP A 80 3.489 10.878 -1.375 1.00 0.00 O ATOM 1282 CB TRP A 80 1.474 9.232 0.126 1.00 0.00 C ATOM 1283 CG TRP A 80 2.209 7.930 0.230 1.00 0.00 C ATOM 1284 CD1 TRP A 80 2.690 7.177 -0.802 1.00 0.00 C ATOM 1285 CD2 TRP A 80 2.545 7.229 1.432 1.00 0.00 C ATOM 1286 NE1 TRP A 80 3.305 6.049 -0.314 1.00 0.00 N ATOM 1287 CE2 TRP A 80 3.231 6.058 1.054 1.00 0.00 C ATOM 1288 CE3 TRP A 80 2.336 7.478 2.791 1.00 0.00 C ATOM 1289 CZ2 TRP A 80 3.705 5.140 1.986 1.00 0.00 C ATOM 1290 CZ3 TRP A 80 2.808 6.565 3.715 1.00 0.00 C ATOM 1291 CH2 TRP A 80 3.486 5.408 3.310 1.00 0.00 C ATOM 0 H TRP A 80 0.546 11.517 0.188 1.00 0.00 H new ATOM 0 HA TRP A 80 2.563 10.228 1.687 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.538 9.157 0.679 1.00 0.00 H new ATOM 0 HB3 TRP A 80 1.215 9.412 -0.917 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.600 7.430 -1.848 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.745 5.323 -0.879 1.00 0.00 H new ATOM 0 HE3 TRP A 80 1.815 8.368 3.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 4.227 4.247 1.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.651 6.747 4.768 1.00 0.00 H new ATOM 0 HH2 TRP A 80 3.843 4.714 4.057 1.00 0.00 H new ATOM 1302 N PRO A 81 4.702 10.469 0.479 1.00 0.00 N ATOM 1303 CA PRO A 81 6.003 10.618 -0.180 1.00 0.00 C ATOM 1304 C PRO A 81 6.295 9.477 -1.150 1.00 0.00 C ATOM 1305 O PRO A 81 7.301 9.494 -1.857 1.00 0.00 O ATOM 1306 CB PRO A 81 6.995 10.596 0.985 1.00 0.00 C ATOM 1307 CG PRO A 81 6.299 9.837 2.062 1.00 0.00 C ATOM 1308 CD PRO A 81 4.837 10.151 1.911 1.00 0.00 C ATOM 0 HA PRO A 81 6.053 11.524 -0.783 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.929 10.112 0.700 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.245 11.606 1.311 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.480 8.767 1.965 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.662 10.134 3.046 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.213 9.304 2.195 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.539 10.991 2.539 1.00 0.00 H new ATOM 1316 N GLY A 82 5.408 8.488 -1.177 1.00 0.00 N ATOM 1317 CA GLY A 82 5.589 7.353 -2.064 1.00 0.00 C ATOM 1318 C GLY A 82 5.074 7.624 -3.464 1.00 0.00 C ATOM 1319 O GLY A 82 5.339 6.856 -4.389 1.00 0.00 O ATOM 0 H GLY A 82 4.567 8.452 -0.601 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.648 7.099 -2.112 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.072 6.487 -1.651 1.00 0.00 H new ATOM 1323 N TYR A 83 4.334 8.716 -3.619 1.00 0.00 N ATOM 1324 CA TYR A 83 3.776 9.084 -4.915 1.00 0.00 C ATOM 1325 C TYR A 83 4.666 10.102 -5.622 1.00 0.00 C ATOM 1326 O TYR A 83 4.814 11.236 -5.166 1.00 0.00 O ATOM 1327 CB TYR A 83 2.367 9.652 -4.745 1.00 0.00 C ATOM 1328 CG TYR A 83 1.382 8.664 -4.162 1.00 0.00 C ATOM 1329 CD1 TYR A 83 1.343 7.348 -4.606 1.00 0.00 C ATOM 1330 CD2 TYR A 83 0.489 9.047 -3.168 1.00 0.00 C ATOM 1331 CE1 TYR A 83 0.444 6.442 -4.076 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -0.412 8.148 -2.632 1.00 0.00 C ATOM 1333 CZ TYR A 83 -0.431 6.847 -3.090 1.00 0.00 C ATOM 1334 OH TYR A 83 -1.328 5.948 -2.559 1.00 0.00 O ATOM 0 H TYR A 83 4.106 9.362 -2.863 1.00 0.00 H new ATOM 0 HA TYR A 83 3.725 8.185 -5.529 1.00 0.00 H new ATOM 0 HB2 TYR A 83 2.413 10.529 -4.100 1.00 0.00 H new ATOM 0 HB3 TYR A 83 2.000 9.988 -5.715 1.00 0.00 H new ATOM 0 HD1 TYR A 83 2.027 7.028 -5.378 1.00 0.00 H new ATOM 0 HD2 TYR A 83 0.500 10.065 -2.809 1.00 0.00 H new ATOM 0 HE1 TYR A 83 0.427 5.423 -4.432 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -1.098 8.462 -1.859 1.00 0.00 H new ATOM 0 HH TYR A 83 -1.190 5.068 -2.967 1.00 0.00 H new ATOM 1344 N SER A 84 5.256 9.688 -6.739 1.00 0.00 N ATOM 1345 CA SER A 84 6.133 10.562 -7.509 1.00 0.00 C ATOM 1346 C SER A 84 5.346 11.711 -8.132 1.00 0.00 C ATOM 1347 O SER A 84 4.124 11.779 -8.006 1.00 0.00 O ATOM 1348 CB SER A 84 6.848 9.767 -8.603 1.00 0.00 C ATOM 1349 OG SER A 84 7.858 8.938 -8.053 1.00 0.00 O ATOM 0 H SER A 84 5.143 8.753 -7.131 1.00 0.00 H new ATOM 0 HA SER A 84 6.875 10.980 -6.829 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.126 9.156 -9.144 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.290 10.453 -9.326 1.00 0.00 H new ATOM 0 HG SER A 84 8.299 8.439 -8.772 1.00 0.00 H new ATOM 1355 N GLU A 85 6.057 12.611 -8.804 1.00 0.00 N ATOM 1356 CA GLU A 85 5.425 13.758 -9.446 1.00 0.00 C ATOM 1357 C GLU A 85 4.253 13.315 -10.319 1.00 0.00 C ATOM 1358 O GLU A 85 3.349 14.100 -10.606 1.00 0.00 O ATOM 1359 CB GLU A 85 6.444 14.523 -10.292 1.00 0.00 C ATOM 1360 CG GLU A 85 5.817 15.348 -11.403 1.00 0.00 C ATOM 1361 CD GLU A 85 6.757 16.406 -11.946 1.00 0.00 C ATOM 1362 OE1 GLU A 85 7.858 16.040 -12.409 1.00 0.00 O ATOM 1363 OE2 GLU A 85 6.393 17.600 -11.908 1.00 0.00 O ATOM 0 H GLU A 85 7.070 12.568 -8.918 1.00 0.00 H new ATOM 0 HA GLU A 85 5.046 14.416 -8.664 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.021 15.182 -9.643 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.146 13.813 -10.730 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.513 14.687 -12.214 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.913 15.828 -11.028 1.00 0.00 H new ATOM 1370 N ILE A 86 4.279 12.054 -10.738 1.00 0.00 N ATOM 1371 CA ILE A 86 3.220 11.508 -11.577 1.00 0.00 C ATOM 1372 C ILE A 86 2.189 10.756 -10.741 1.00 0.00 C ATOM 1373 O ILE A 86 0.983 10.929 -10.920 1.00 0.00 O ATOM 1374 CB ILE A 86 3.785 10.558 -12.650 1.00 0.00 C ATOM 1375 CG1 ILE A 86 4.857 11.270 -13.478 1.00 0.00 C ATOM 1376 CG2 ILE A 86 2.668 10.047 -13.547 1.00 0.00 C ATOM 1377 CD1 ILE A 86 6.221 11.273 -12.825 1.00 0.00 C ATOM 0 H ILE A 86 5.021 11.392 -10.510 1.00 0.00 H new ATOM 0 HA ILE A 86 2.739 12.354 -12.069 1.00 0.00 H new ATOM 0 HB ILE A 86 4.244 9.704 -12.153 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.931 10.789 -14.453 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.545 12.299 -13.654 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.084 9.377 -14.300 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.936 9.508 -12.946 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.183 10.890 -14.039 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.931 11.794 -13.467 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.162 11.781 -11.862 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.554 10.246 -12.674 1.00 0.00 H new ATOM 1389 N ASP A 87 2.672 9.922 -9.827 1.00 0.00 N ATOM 1390 CA ASP A 87 1.793 9.145 -8.960 1.00 0.00 C ATOM 1391 C ASP A 87 0.746 10.040 -8.305 1.00 0.00 C ATOM 1392 O ASP A 87 -0.454 9.784 -8.405 1.00 0.00 O ATOM 1393 CB ASP A 87 2.608 8.423 -7.887 1.00 0.00 C ATOM 1394 CG ASP A 87 3.613 7.453 -8.477 1.00 0.00 C ATOM 1395 OD1 ASP A 87 4.366 7.860 -9.386 1.00 0.00 O ATOM 1396 OD2 ASP A 87 3.645 6.287 -8.031 1.00 0.00 O ATOM 0 H ASP A 87 3.667 9.766 -9.667 1.00 0.00 H new ATOM 0 HA ASP A 87 1.279 8.405 -9.574 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.132 9.159 -7.277 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.932 7.883 -7.224 1.00 0.00 H new ATOM 1401 N ARG A 88 1.209 11.090 -7.635 1.00 0.00 N ATOM 1402 CA ARG A 88 0.312 12.022 -6.961 1.00 0.00 C ATOM 1403 C ARG A 88 -0.860 12.397 -7.863 1.00 0.00 C ATOM 1404 O ARG A 88 -2.019 12.327 -7.452 1.00 0.00 O ATOM 1405 CB ARG A 88 1.072 13.283 -6.544 1.00 0.00 C ATOM 1406 CG ARG A 88 2.056 13.054 -5.408 1.00 0.00 C ATOM 1407 CD ARG A 88 3.071 14.182 -5.314 1.00 0.00 C ATOM 1408 NE ARG A 88 3.874 14.096 -4.098 1.00 0.00 N ATOM 1409 CZ ARG A 88 4.516 15.130 -3.566 1.00 0.00 C ATOM 1410 NH1 ARG A 88 4.450 16.322 -4.141 1.00 0.00 N ATOM 1411 NH2 ARG A 88 5.227 14.972 -2.457 1.00 0.00 N ATOM 0 H ARG A 88 2.199 11.317 -7.544 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.080 11.531 -6.070 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.611 13.674 -7.407 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.355 14.047 -6.243 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.513 12.972 -4.466 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.575 12.108 -5.560 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.727 14.153 -6.184 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.552 15.140 -5.338 1.00 0.00 H new ATOM 0 HE ARG A 88 3.946 13.192 -3.631 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.905 16.447 -4.994 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.944 17.114 -3.730 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.281 14.056 -2.012 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.720 15.767 -2.049 1.00 0.00 H new ATOM 1425 N ARG A 89 -0.551 12.794 -9.093 1.00 0.00 N ATOM 1426 CA ARG A 89 -1.578 13.182 -10.052 1.00 0.00 C ATOM 1427 C ARG A 89 -2.354 11.962 -10.540 1.00 0.00 C ATOM 1428 O ARG A 89 -3.495 12.077 -10.986 1.00 0.00 O ATOM 1429 CB ARG A 89 -0.948 13.908 -11.241 1.00 0.00 C ATOM 1430 CG ARG A 89 -0.202 12.986 -12.192 1.00 0.00 C ATOM 1431 CD ARG A 89 -0.230 13.514 -13.618 1.00 0.00 C ATOM 1432 NE ARG A 89 -1.502 13.236 -14.279 1.00 0.00 N ATOM 1433 CZ ARG A 89 -1.863 12.030 -14.701 1.00 0.00 C ATOM 1434 NH1 ARG A 89 -1.053 10.994 -14.530 1.00 0.00 N ATOM 1435 NH2 ARG A 89 -3.037 11.856 -15.294 1.00 0.00 N ATOM 0 H ARG A 89 0.403 12.855 -9.449 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.272 13.856 -9.550 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.730 14.430 -11.793 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.259 14.667 -10.869 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.832 12.881 -11.862 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.649 11.992 -12.162 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.053 14.590 -13.610 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.581 13.062 -14.188 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.149 14.011 -14.425 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.150 11.123 -14.073 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.333 10.069 -14.855 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.664 12.650 -15.426 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.312 10.929 -15.618 1.00 0.00 H new ATOM 1449 N SER A 90 -1.726 10.793 -10.452 1.00 0.00 N ATOM 1450 CA SER A 90 -2.355 9.553 -10.888 1.00 0.00 C ATOM 1451 C SER A 90 -3.307 9.021 -9.820 1.00 0.00 C ATOM 1452 O SER A 90 -4.206 8.230 -10.111 1.00 0.00 O ATOM 1453 CB SER A 90 -1.291 8.501 -11.208 1.00 0.00 C ATOM 1454 OG SER A 90 -1.754 7.589 -12.188 1.00 0.00 O ATOM 0 H SER A 90 -0.782 10.680 -10.083 1.00 0.00 H new ATOM 0 HA SER A 90 -2.930 9.764 -11.790 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.385 8.992 -11.563 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.025 7.960 -10.300 1.00 0.00 H new ATOM 0 HG SER A 90 -1.055 6.928 -12.376 1.00 0.00 H new ATOM 1460 N LEU A 91 -3.103 9.461 -8.584 1.00 0.00 N ATOM 1461 CA LEU A 91 -3.942 9.031 -7.470 1.00 0.00 C ATOM 1462 C LEU A 91 -5.110 9.991 -7.266 1.00 0.00 C ATOM 1463 O LEU A 91 -6.257 9.567 -7.125 1.00 0.00 O ATOM 1464 CB LEU A 91 -3.114 8.938 -6.188 1.00 0.00 C ATOM 1465 CG LEU A 91 -3.864 9.210 -4.883 1.00 0.00 C ATOM 1466 CD1 LEU A 91 -3.246 8.422 -3.739 1.00 0.00 C ATOM 1467 CD2 LEU A 91 -3.864 10.699 -4.569 1.00 0.00 C ATOM 0 H LEU A 91 -2.364 10.115 -8.327 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.343 8.046 -7.708 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.678 7.940 -6.132 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.286 9.643 -6.262 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.897 8.885 -5.005 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.792 8.628 -2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.298 7.356 -3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.204 8.716 -3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.402 10.874 -3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.837 11.049 -4.467 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.353 11.241 -5.378 1.00 0.00 H new ATOM 1479 N GLU A 92 -4.810 11.286 -7.254 1.00 0.00 N ATOM 1480 CA GLU A 92 -5.836 12.305 -7.068 1.00 0.00 C ATOM 1481 C GLU A 92 -7.067 11.999 -7.917 1.00 0.00 C ATOM 1482 O GLU A 92 -8.174 12.437 -7.605 1.00 0.00 O ATOM 1483 CB GLU A 92 -5.285 13.687 -7.429 1.00 0.00 C ATOM 1484 CG GLU A 92 -5.068 13.885 -8.919 1.00 0.00 C ATOM 1485 CD GLU A 92 -4.795 15.332 -9.281 1.00 0.00 C ATOM 1486 OE1 GLU A 92 -3.676 15.812 -9.003 1.00 0.00 O ATOM 1487 OE2 GLU A 92 -5.700 15.985 -9.842 1.00 0.00 O ATOM 0 H GLU A 92 -3.866 11.654 -7.371 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.130 12.301 -6.018 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.974 14.450 -7.066 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.339 13.839 -6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.231 13.268 -9.246 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.949 13.539 -9.460 1.00 0.00 H new ATOM 1494 N SER A 93 -6.864 11.245 -8.993 1.00 0.00 N ATOM 1495 CA SER A 93 -7.955 10.884 -9.890 1.00 0.00 C ATOM 1496 C SER A 93 -8.805 9.768 -9.290 1.00 0.00 C ATOM 1497 O SER A 93 -10.025 9.890 -9.181 1.00 0.00 O ATOM 1498 CB SER A 93 -7.404 10.446 -11.248 1.00 0.00 C ATOM 1499 OG SER A 93 -8.396 10.540 -12.256 1.00 0.00 O ATOM 0 H SER A 93 -5.954 10.873 -9.264 1.00 0.00 H new ATOM 0 HA SER A 93 -8.585 11.763 -10.028 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.550 11.068 -11.515 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.043 9.420 -11.183 1.00 0.00 H new ATOM 0 HG SER A 93 -8.018 10.256 -13.114 1.00 0.00 H new ATOM 1505 N VAL A 94 -8.150 8.678 -8.901 1.00 0.00 N ATOM 1506 CA VAL A 94 -8.843 7.539 -8.311 1.00 0.00 C ATOM 1507 C VAL A 94 -9.806 7.989 -7.217 1.00 0.00 C ATOM 1508 O VAL A 94 -10.981 7.619 -7.219 1.00 0.00 O ATOM 1509 CB VAL A 94 -7.850 6.522 -7.719 1.00 0.00 C ATOM 1510 CG1 VAL A 94 -8.591 5.418 -6.982 1.00 0.00 C ATOM 1511 CG2 VAL A 94 -6.965 5.944 -8.813 1.00 0.00 C ATOM 0 H VAL A 94 -7.140 8.560 -8.984 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.405 7.061 -9.113 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.212 7.038 -7.002 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.872 4.709 -6.571 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.177 5.851 -6.172 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.255 4.901 -7.674 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.269 5.227 -8.377 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -7.585 5.442 -9.556 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.406 6.748 -9.291 1.00 0.00 H new ATOM 1521 N LEU A 95 -9.301 8.789 -6.285 1.00 0.00 N ATOM 1522 CA LEU A 95 -10.116 9.290 -5.184 1.00 0.00 C ATOM 1523 C LEU A 95 -11.332 10.048 -5.707 1.00 0.00 C ATOM 1524 O LEU A 95 -12.406 10.009 -5.107 1.00 0.00 O ATOM 1525 CB LEU A 95 -9.283 10.201 -4.280 1.00 0.00 C ATOM 1526 CG LEU A 95 -8.018 9.582 -3.685 1.00 0.00 C ATOM 1527 CD1 LEU A 95 -7.110 10.663 -3.120 1.00 0.00 C ATOM 1528 CD2 LEU A 95 -8.376 8.567 -2.610 1.00 0.00 C ATOM 0 H LEU A 95 -8.331 9.105 -6.270 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.465 8.435 -4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.997 11.084 -4.852 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.916 10.543 -3.461 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.481 9.065 -4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.215 10.204 -2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.826 11.352 -3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.638 11.209 -2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.463 8.137 -2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.936 9.061 -1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.986 7.775 -3.046 1.00 0.00 H new ATOM 1540 N SER A 96 -11.156 10.734 -6.832 1.00 0.00 N ATOM 1541 CA SER A 96 -12.238 11.502 -7.436 1.00 0.00 C ATOM 1542 C SER A 96 -13.328 10.578 -7.969 1.00 0.00 C ATOM 1543 O SER A 96 -14.518 10.869 -7.848 1.00 0.00 O ATOM 1544 CB SER A 96 -11.699 12.379 -8.568 1.00 0.00 C ATOM 1545 OG SER A 96 -12.690 13.281 -9.031 1.00 0.00 O ATOM 0 H SER A 96 -10.274 10.773 -7.343 1.00 0.00 H new ATOM 0 HA SER A 96 -12.671 12.140 -6.666 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.830 12.937 -8.218 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.363 11.749 -9.392 1.00 0.00 H new ATOM 0 HG SER A 96 -12.320 13.831 -9.753 1.00 0.00 H new ATOM 1551 N ARG A 97 -12.913 9.462 -8.560 1.00 0.00 N ATOM 1552 CA ARG A 97 -13.853 8.495 -9.113 1.00 0.00 C ATOM 1553 C ARG A 97 -14.502 7.672 -8.004 1.00 0.00 C ATOM 1554 O ARG A 97 -15.693 7.363 -8.061 1.00 0.00 O ATOM 1555 CB ARG A 97 -13.142 7.567 -10.100 1.00 0.00 C ATOM 1556 CG ARG A 97 -12.250 8.300 -11.090 1.00 0.00 C ATOM 1557 CD ARG A 97 -12.159 7.556 -12.413 1.00 0.00 C ATOM 1558 NE ARG A 97 -11.375 6.329 -12.299 1.00 0.00 N ATOM 1559 CZ ARG A 97 -10.914 5.652 -13.344 1.00 0.00 C ATOM 1560 NH1 ARG A 97 -11.155 6.081 -14.575 1.00 0.00 N ATOM 1561 NH2 ARG A 97 -10.208 4.543 -13.159 1.00 0.00 N ATOM 0 H ARG A 97 -11.932 9.205 -8.668 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.633 9.045 -9.639 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -12.539 6.850 -9.542 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -13.889 6.995 -10.651 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.641 9.303 -11.261 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -11.252 8.415 -10.667 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -13.163 7.314 -12.762 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -11.709 8.205 -13.164 1.00 0.00 H new ATOM 0 HE ARG A 97 -11.170 5.973 -11.365 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -11.696 6.933 -14.721 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -10.800 5.559 -15.376 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -10.019 4.210 -12.213 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.854 4.024 -13.962 1.00 0.00 H new ATOM 1575 N LYS A 98 -13.712 7.321 -6.995 1.00 0.00 N ATOM 1576 CA LYS A 98 -14.209 6.535 -5.871 1.00 0.00 C ATOM 1577 C LYS A 98 -15.000 7.410 -4.904 1.00 0.00 C ATOM 1578 O LYS A 98 -16.202 7.216 -4.716 1.00 0.00 O ATOM 1579 CB LYS A 98 -13.045 5.866 -5.137 1.00 0.00 C ATOM 1580 CG LYS A 98 -12.190 4.983 -6.028 1.00 0.00 C ATOM 1581 CD LYS A 98 -12.942 3.736 -6.464 1.00 0.00 C ATOM 1582 CE LYS A 98 -12.089 2.857 -7.365 1.00 0.00 C ATOM 1583 NZ LYS A 98 -12.198 3.257 -8.795 1.00 0.00 N ATOM 0 H LYS A 98 -12.724 7.568 -6.932 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.874 5.765 -6.262 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -12.416 6.637 -4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.440 5.266 -4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -11.877 5.546 -6.907 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.284 4.695 -5.495 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -13.248 3.169 -5.585 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -13.852 4.024 -6.991 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -11.047 2.917 -7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.396 1.817 -7.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.602 2.634 -9.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -13.188 3.176 -9.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.880 4.241 -8.905 1.00 0.00 H new ATOM 1597 N LEU A 99 -14.319 8.373 -4.292 1.00 0.00 N ATOM 1598 CA LEU A 99 -14.959 9.279 -3.345 1.00 0.00 C ATOM 1599 C LEU A 99 -15.938 10.208 -4.055 1.00 0.00 C ATOM 1600 O LEU A 99 -15.544 11.232 -4.611 1.00 0.00 O ATOM 1601 CB LEU A 99 -13.904 10.102 -2.603 1.00 0.00 C ATOM 1602 CG LEU A 99 -12.774 9.308 -1.946 1.00 0.00 C ATOM 1603 CD1 LEU A 99 -11.691 10.246 -1.433 1.00 0.00 C ATOM 1604 CD2 LEU A 99 -13.315 8.446 -0.815 1.00 0.00 C ATOM 0 H LEU A 99 -13.324 8.546 -4.435 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.515 8.678 -2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -13.463 10.809 -3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -14.405 10.688 -1.833 1.00 0.00 H new ATOM 0 HG LEU A 99 -12.333 8.652 -2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -10.895 9.664 -0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -11.283 10.820 -2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -12.118 10.927 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -12.497 7.888 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -13.783 9.083 -0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -14.054 7.749 -1.210 1.00 0.00 H new ATOM 1616 N ASN A 100 -17.216 9.844 -4.030 1.00 0.00 N ATOM 1617 CA ASN A 100 -18.252 10.646 -4.670 1.00 0.00 C ATOM 1618 C ASN A 100 -18.087 12.123 -4.326 1.00 0.00 C ATOM 1619 O ASN A 100 -18.046 12.976 -5.212 1.00 0.00 O ATOM 1620 CB ASN A 100 -19.639 10.162 -4.241 1.00 0.00 C ATOM 1621 CG ASN A 100 -19.834 8.678 -4.483 1.00 0.00 C ATOM 1622 OD1 ASN A 100 -19.667 8.193 -5.602 1.00 0.00 O ATOM 1623 ND2 ASN A 100 -20.189 7.949 -3.432 1.00 0.00 N ATOM 0 H ASN A 100 -17.559 8.999 -3.573 1.00 0.00 H new ATOM 0 HA ASN A 100 -18.152 10.530 -5.749 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -19.784 10.377 -3.182 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -20.400 10.719 -4.787 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -20.334 6.945 -3.534 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -20.316 8.393 -2.523 1.00 0.00 H new