USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 842 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 28 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 30 TYR OH : rot -122:sc= 1.07 USER MOD Set 1.3: A 40 SER OG : rot 124:sc= 1.34 USER MOD Set 1.4: A 43 SER OG : rot -8:sc= 0.0956 USER MOD Set 2.1: A 9 THR OG1 : rot -24:sc= 0.742 USER MOD Set 2.2: A 10 ASN : amide:sc= 0 X(o=1.7,f=1.7) USER MOD Set 2.3: A 13 THR OG1 : rot 113:sc= 0.966 USER MOD Single : A 1 MET CE :methyl -174:sc= -1.05 (180deg=-1.23) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -146:sc= 0.213 (180deg=-0.251) USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -7 GLY N :NH3+ -154:sc= 1.28 (180deg=1.21) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0378 K(o=-0.038,f=-0.87) USER MOD Single : A 24 ASN : amide:sc= -0.149 K(o=-0.15,f=-1.2) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -0.0693 USER MOD Single : A 33 GLN : amide:sc= -0.755 K(o=-0.75,f=-2.2!) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -142:sc= 1.06 (180deg=0.337) USER MOD Single : A 41 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0198) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 141:sc= -0.253 (180deg=-2.66!) USER MOD Single : A 49 CYS SG : rot 74:sc= -7.79! USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 1.49 (180deg=1.46) USER MOD Single : A 54 HIS : no HE2:sc= 0.869 K(o=0.87,f=-5.3!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0985 USER MOD Single : A 58 ASN : amide:sc= -2.17! K(o=-2.2!,f=0) USER MOD Single : A 59 THR OG1 : rot -11:sc= -0.563 USER MOD Single : A 61 MET CE :methyl 164:sc=-0.00215 (180deg=-0.19) USER MOD Single : A 69 GLN : amide:sc= -0.399 K(o=-0.4,f=-2.1) USER MOD Single : A 70 HIS : no HE2:sc= -0.221 K(o=-0.22,f=-0.98) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 168:sc= -1.53 (180deg=-2.1!) USER MOD Single : A 74 LYS NZ :NH3+ -168:sc= -0.0206 (180deg=-0.189) USER MOD Single : A 77 ASN : amide:sc= -2.05! C(o=-2!,f=-4.1!) USER MOD Single : A 82 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.16) USER MOD Single : A 90 SER OG : rot -97:sc= 1.07 USER MOD Single : A 91 SER OG : rot -110:sc= -1.2 USER MOD Single : A 92 LYS NZ :NH3+ 163:sc= 0.554 (180deg=0.43) USER MOD Single : A 94 SER OG : rot 22:sc= 0.63 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0599 USER MOD Single : A 98 THR OG1 : rot -52:sc= 0.346 USER MOD Single : A 100 THR OG1 : rot 33:sc= 0.363 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -7 -12.778 3.504 9.625 1.00 0.00 N ATOM 2 CA GLY A -7 -13.676 3.438 8.444 1.00 0.00 C ATOM 3 C GLY A -7 -13.999 4.815 7.915 1.00 0.00 C ATOM 4 O GLY A -7 -14.413 5.685 8.678 1.00 0.00 O ATOM 0 H1 GLY A -7 -12.234 2.621 9.697 1.00 0.00 H new ATOM 0 H2 GLY A -7 -12.124 4.306 9.520 1.00 0.00 H new ATOM 0 H3 GLY A -7 -13.346 3.631 10.487 1.00 0.00 H new ATOM 0 HA2 GLY A -7 -13.203 2.847 7.659 1.00 0.00 H new ATOM 0 HA3 GLY A -7 -14.599 2.926 8.716 1.00 0.00 H new ATOM 10 N PRO A -6 -13.815 5.047 6.607 1.00 0.00 N ATOM 11 CA PRO A -6 -13.994 6.360 6.006 1.00 0.00 C ATOM 12 C PRO A -6 -15.426 6.597 5.525 1.00 0.00 C ATOM 13 O PRO A -6 -15.755 6.369 4.359 1.00 0.00 O ATOM 14 CB PRO A -6 -13.009 6.312 4.837 1.00 0.00 C ATOM 15 CG PRO A -6 -12.976 4.879 4.412 1.00 0.00 C ATOM 16 CD PRO A -6 -13.419 4.047 5.597 1.00 0.00 C ATOM 0 HA PRO A -6 -13.816 7.177 6.705 1.00 0.00 H new ATOM 0 HB2 PRO A -6 -13.334 6.957 4.021 1.00 0.00 H new ATOM 0 HB3 PRO A -6 -12.020 6.656 5.141 1.00 0.00 H new ATOM 0 HG2 PRO A -6 -13.636 4.716 3.560 1.00 0.00 H new ATOM 0 HG3 PRO A -6 -11.972 4.595 4.097 1.00 0.00 H new ATOM 0 HD2 PRO A -6 -14.250 3.392 5.336 1.00 0.00 H new ATOM 0 HD3 PRO A -6 -12.613 3.410 5.961 1.00 0.00 H new ATOM 24 N LEU A -5 -16.279 7.052 6.434 1.00 0.00 N ATOM 25 CA LEU A -5 -17.672 7.316 6.106 1.00 0.00 C ATOM 26 C LEU A -5 -17.856 8.787 5.772 1.00 0.00 C ATOM 27 O LEU A -5 -18.102 9.616 6.648 1.00 0.00 O ATOM 28 CB LEU A -5 -18.590 6.910 7.259 1.00 0.00 C ATOM 29 CG LEU A -5 -18.587 5.418 7.586 1.00 0.00 C ATOM 30 CD1 LEU A -5 -19.571 5.112 8.706 1.00 0.00 C ATOM 31 CD2 LEU A -5 -18.917 4.608 6.340 1.00 0.00 C ATOM 0 H LEU A -5 -16.030 7.246 7.404 1.00 0.00 H new ATOM 0 HA LEU A -5 -17.942 6.719 5.235 1.00 0.00 H new ATOM 0 HB2 LEU A -5 -18.296 7.464 8.151 1.00 0.00 H new ATOM 0 HB3 LEU A -5 -19.609 7.213 7.017 1.00 0.00 H new ATOM 0 HG LEU A -5 -17.591 5.137 7.928 1.00 0.00 H new ATOM 0 HD11 LEU A -5 -19.554 4.044 8.924 1.00 0.00 H new ATOM 0 HD12 LEU A -5 -19.290 5.669 9.600 1.00 0.00 H new ATOM 0 HD13 LEU A -5 -20.575 5.403 8.398 1.00 0.00 H new ATOM 0 HD21 LEU A -5 -18.912 3.546 6.585 1.00 0.00 H new ATOM 0 HD22 LEU A -5 -19.903 4.891 5.973 1.00 0.00 H new ATOM 0 HD23 LEU A -5 -18.172 4.806 5.569 1.00 0.00 H new ATOM 43 N GLY A -4 -17.720 9.103 4.498 1.00 0.00 N ATOM 44 CA GLY A -4 -17.745 10.486 4.069 1.00 0.00 C ATOM 45 C GLY A -4 -16.355 11.080 4.075 1.00 0.00 C ATOM 46 O GLY A -4 -15.842 11.494 3.037 1.00 0.00 O ATOM 0 H GLY A -4 -17.592 8.425 3.747 1.00 0.00 H new ATOM 0 HA2 GLY A -4 -18.168 10.552 3.067 1.00 0.00 H new ATOM 0 HA3 GLY A -4 -18.394 11.063 4.728 1.00 0.00 H new ATOM 50 N SER A -3 -15.743 11.106 5.249 1.00 0.00 N ATOM 51 CA SER A -3 -14.369 11.552 5.388 1.00 0.00 C ATOM 52 C SER A -3 -13.419 10.409 5.045 1.00 0.00 C ATOM 53 O SER A -3 -13.492 9.340 5.650 1.00 0.00 O ATOM 54 CB SER A -3 -14.111 12.038 6.817 1.00 0.00 C ATOM 55 OG SER A -3 -15.002 13.084 7.172 1.00 0.00 O ATOM 0 H SER A -3 -16.182 10.821 6.124 1.00 0.00 H new ATOM 0 HA SER A -3 -14.195 12.381 4.702 1.00 0.00 H new ATOM 0 HB2 SER A -3 -14.226 11.207 7.513 1.00 0.00 H new ATOM 0 HB3 SER A -3 -13.082 12.387 6.905 1.00 0.00 H new ATOM 0 HG SER A -3 -14.817 13.374 8.089 1.00 0.00 H new ATOM 61 N PRO A -2 -12.532 10.612 4.059 1.00 0.00 N ATOM 62 CA PRO A -2 -11.568 9.590 3.638 1.00 0.00 C ATOM 63 C PRO A -2 -10.575 9.255 4.746 1.00 0.00 C ATOM 64 O PRO A -2 -10.147 10.136 5.493 1.00 0.00 O ATOM 65 CB PRO A -2 -10.846 10.241 2.453 1.00 0.00 C ATOM 66 CG PRO A -2 -11.045 11.705 2.635 1.00 0.00 C ATOM 67 CD PRO A -2 -12.388 11.858 3.286 1.00 0.00 C ATOM 0 HA PRO A -2 -12.054 8.647 3.387 1.00 0.00 H new ATOM 0 HB2 PRO A -2 -9.787 9.985 2.448 1.00 0.00 H new ATOM 0 HB3 PRO A -2 -11.261 9.902 1.504 1.00 0.00 H new ATOM 0 HG2 PRO A -2 -10.258 12.132 3.257 1.00 0.00 H new ATOM 0 HG3 PRO A -2 -11.013 12.226 1.678 1.00 0.00 H new ATOM 0 HD2 PRO A -2 -12.426 12.737 3.929 1.00 0.00 H new ATOM 0 HD3 PRO A -2 -13.183 11.968 2.548 1.00 0.00 H new ATOM 75 N GLU A -1 -10.218 7.982 4.853 1.00 0.00 N ATOM 76 CA GLU A -1 -9.274 7.544 5.864 1.00 0.00 C ATOM 77 C GLU A -1 -7.863 8.001 5.509 1.00 0.00 C ATOM 78 O GLU A -1 -7.400 7.797 4.385 1.00 0.00 O ATOM 79 CB GLU A -1 -9.305 6.022 6.016 1.00 0.00 C ATOM 80 CG GLU A -1 -10.507 5.495 6.780 1.00 0.00 C ATOM 81 CD GLU A -1 -10.563 5.945 8.227 1.00 0.00 C ATOM 82 OE1 GLU A -1 -10.579 7.165 8.485 1.00 0.00 O ATOM 83 OE2 GLU A -1 -10.628 5.071 9.115 1.00 0.00 O ATOM 0 H GLU A -1 -10.569 7.237 4.251 1.00 0.00 H new ATOM 0 HA GLU A -1 -9.565 7.994 6.813 1.00 0.00 H new ATOM 0 HB2 GLU A -1 -9.292 5.569 5.025 1.00 0.00 H new ATOM 0 HB3 GLU A -1 -8.396 5.701 6.525 1.00 0.00 H new ATOM 0 HG2 GLU A -1 -11.417 5.818 6.274 1.00 0.00 H new ATOM 0 HG3 GLU A -1 -10.495 4.406 6.749 1.00 0.00 H new ATOM 90 N PHE A 0 -7.187 8.612 6.469 1.00 0.00 N ATOM 91 CA PHE A 0 -5.823 9.069 6.267 1.00 0.00 C ATOM 92 C PHE A 0 -4.862 8.107 6.948 1.00 0.00 C ATOM 93 O PHE A 0 -5.019 7.791 8.129 1.00 0.00 O ATOM 94 CB PHE A 0 -5.641 10.487 6.817 1.00 0.00 C ATOM 95 CG PHE A 0 -4.280 11.068 6.549 1.00 0.00 C ATOM 96 CD1 PHE A 0 -3.989 11.647 5.323 1.00 0.00 C ATOM 97 CD2 PHE A 0 -3.292 11.038 7.521 1.00 0.00 C ATOM 98 CE1 PHE A 0 -2.740 12.186 5.073 1.00 0.00 C ATOM 99 CE2 PHE A 0 -2.042 11.574 7.275 1.00 0.00 C ATOM 100 CZ PHE A 0 -1.766 12.148 6.049 1.00 0.00 C ATOM 0 H PHE A 0 -7.563 8.803 7.398 1.00 0.00 H new ATOM 0 HA PHE A 0 -5.610 9.093 5.198 1.00 0.00 H new ATOM 0 HB2 PHE A 0 -6.397 11.138 6.378 1.00 0.00 H new ATOM 0 HB3 PHE A 0 -5.816 10.475 7.893 1.00 0.00 H new ATOM 0 HD1 PHE A 0 -4.747 11.677 4.554 1.00 0.00 H new ATOM 0 HD2 PHE A 0 -3.501 10.591 8.481 1.00 0.00 H new ATOM 0 HE1 PHE A 0 -2.528 12.636 4.115 1.00 0.00 H new ATOM 0 HE2 PHE A 0 -1.281 11.544 8.041 1.00 0.00 H new ATOM 0 HZ PHE A 0 -0.789 12.566 5.855 1.00 0.00 H new ATOM 110 N MET A 1 -3.879 7.634 6.200 1.00 0.00 N ATOM 111 CA MET A 1 -2.975 6.614 6.701 1.00 0.00 C ATOM 112 C MET A 1 -1.538 6.905 6.289 1.00 0.00 C ATOM 113 O MET A 1 -1.279 7.279 5.143 1.00 0.00 O ATOM 114 CB MET A 1 -3.409 5.247 6.176 1.00 0.00 C ATOM 115 CG MET A 1 -2.528 4.109 6.645 1.00 0.00 C ATOM 116 SD MET A 1 -2.505 3.939 8.437 1.00 0.00 S ATOM 117 CE MET A 1 -1.250 2.677 8.613 1.00 0.00 C ATOM 0 H MET A 1 -3.687 7.940 5.246 1.00 0.00 H new ATOM 0 HA MET A 1 -3.017 6.616 7.790 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.435 5.055 6.492 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.410 5.269 5.086 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.878 3.177 6.201 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.511 4.271 6.287 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.183 2.373 9.658 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.513 1.815 8.000 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.288 3.073 8.288 1.00 0.00 H new ATOM 127 N GLU A 2 -0.615 6.723 7.225 1.00 0.00 N ATOM 128 CA GLU A 2 0.796 6.980 6.978 1.00 0.00 C ATOM 129 C GLU A 2 1.663 5.883 7.598 1.00 0.00 C ATOM 130 O GLU A 2 1.320 5.327 8.644 1.00 0.00 O ATOM 131 CB GLU A 2 1.206 8.355 7.533 1.00 0.00 C ATOM 132 CG GLU A 2 1.137 8.483 9.057 1.00 0.00 C ATOM 133 CD GLU A 2 -0.277 8.594 9.603 1.00 0.00 C ATOM 134 OE1 GLU A 2 -0.787 9.729 9.713 1.00 0.00 O ATOM 135 OE2 GLU A 2 -0.874 7.550 9.949 1.00 0.00 O ATOM 0 H GLU A 2 -0.822 6.396 8.169 1.00 0.00 H new ATOM 0 HA GLU A 2 0.953 6.980 5.899 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.225 8.571 7.211 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.563 9.116 7.090 1.00 0.00 H new ATOM 0 HG2 GLU A 2 1.623 7.617 9.507 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.704 9.362 9.364 1.00 0.00 H new ATOM 142 N GLY A 3 2.773 5.565 6.940 1.00 0.00 N ATOM 143 CA GLY A 3 3.697 4.576 7.463 1.00 0.00 C ATOM 144 C GLY A 3 4.568 3.991 6.370 1.00 0.00 C ATOM 145 O GLY A 3 4.586 4.504 5.253 1.00 0.00 O ATOM 0 H GLY A 3 3.050 5.977 6.049 1.00 0.00 H new ATOM 0 HA2 GLY A 3 4.328 5.034 8.225 1.00 0.00 H new ATOM 0 HA3 GLY A 3 3.138 3.777 7.950 1.00 0.00 H new ATOM 149 N VAL A 4 5.296 2.926 6.677 1.00 0.00 N ATOM 150 CA VAL A 4 6.144 2.289 5.681 1.00 0.00 C ATOM 151 C VAL A 4 5.686 0.857 5.436 1.00 0.00 C ATOM 152 O VAL A 4 5.004 0.258 6.273 1.00 0.00 O ATOM 153 CB VAL A 4 7.652 2.291 6.072 1.00 0.00 C ATOM 154 CG1 VAL A 4 8.006 3.495 6.932 1.00 0.00 C ATOM 155 CG2 VAL A 4 8.061 0.995 6.757 1.00 0.00 C ATOM 0 H VAL A 4 5.316 2.489 7.598 1.00 0.00 H new ATOM 0 HA VAL A 4 6.045 2.878 4.770 1.00 0.00 H new ATOM 0 HB VAL A 4 8.219 2.366 5.144 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.066 3.462 7.185 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.792 4.411 6.381 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.414 3.475 7.847 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.120 1.037 7.013 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.473 0.862 7.665 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.884 0.156 6.084 1.00 0.00 H new ATOM 165 N LEU A 5 6.048 0.327 4.281 1.00 0.00 N ATOM 166 CA LEU A 5 5.757 -1.057 3.935 1.00 0.00 C ATOM 167 C LEU A 5 7.017 -1.716 3.395 1.00 0.00 C ATOM 168 O LEU A 5 7.893 -1.047 2.835 1.00 0.00 O ATOM 169 CB LEU A 5 4.647 -1.173 2.871 1.00 0.00 C ATOM 170 CG LEU A 5 3.199 -0.914 3.322 1.00 0.00 C ATOM 171 CD1 LEU A 5 2.819 -1.753 4.538 1.00 0.00 C ATOM 172 CD2 LEU A 5 2.975 0.563 3.576 1.00 0.00 C ATOM 0 H LEU A 5 6.551 0.840 3.557 1.00 0.00 H new ATOM 0 HA LEU A 5 5.411 -1.553 4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.878 -0.475 2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.692 -2.176 2.446 1.00 0.00 H new ATOM 0 HG LEU A 5 2.541 -1.224 2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.789 -1.537 4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.915 -2.811 4.294 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.482 -1.511 5.369 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.945 0.725 3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.654 0.905 4.357 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.164 1.123 2.660 1.00 0.00 H new ATOM 184 N TYR A 6 7.109 -3.020 3.595 1.00 0.00 N ATOM 185 CA TYR A 6 8.162 -3.834 3.005 1.00 0.00 C ATOM 186 C TYR A 6 8.067 -3.767 1.488 1.00 0.00 C ATOM 187 O TYR A 6 7.076 -4.196 0.899 1.00 0.00 O ATOM 188 CB TYR A 6 7.988 -5.275 3.493 1.00 0.00 C ATOM 189 CG TYR A 6 8.932 -6.324 2.928 1.00 0.00 C ATOM 190 CD1 TYR A 6 8.868 -6.717 1.596 1.00 0.00 C ATOM 191 CD2 TYR A 6 9.857 -6.956 3.751 1.00 0.00 C ATOM 192 CE1 TYR A 6 9.702 -7.699 1.098 1.00 0.00 C ATOM 193 CE2 TYR A 6 10.698 -7.935 3.259 1.00 0.00 C ATOM 194 CZ TYR A 6 10.616 -8.305 1.933 1.00 0.00 C ATOM 195 OH TYR A 6 11.449 -9.285 1.443 1.00 0.00 O ATOM 0 H TYR A 6 6.454 -3.547 4.173 1.00 0.00 H new ATOM 0 HA TYR A 6 9.143 -3.465 3.303 1.00 0.00 H new ATOM 0 HB2 TYR A 6 8.092 -5.278 4.578 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.967 -5.585 3.270 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.153 -6.246 0.938 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.919 -6.677 4.792 1.00 0.00 H new ATOM 0 HE1 TYR A 6 9.638 -7.990 0.060 1.00 0.00 H new ATOM 0 HE2 TYR A 6 11.417 -8.409 3.910 1.00 0.00 H new ATOM 0 HH TYR A 6 12.033 -9.607 2.161 1.00 0.00 H new ATOM 205 N LYS A 7 9.087 -3.215 0.871 1.00 0.00 N ATOM 206 CA LYS A 7 9.137 -3.123 -0.575 1.00 0.00 C ATOM 207 C LYS A 7 10.321 -3.913 -1.110 1.00 0.00 C ATOM 208 O LYS A 7 11.463 -3.689 -0.706 1.00 0.00 O ATOM 209 CB LYS A 7 9.246 -1.667 -1.029 1.00 0.00 C ATOM 210 CG LYS A 7 9.411 -1.523 -2.536 1.00 0.00 C ATOM 211 CD LYS A 7 8.112 -1.785 -3.285 1.00 0.00 C ATOM 212 CE LYS A 7 8.372 -2.332 -4.683 1.00 0.00 C ATOM 213 NZ LYS A 7 9.463 -1.609 -5.391 1.00 0.00 N ATOM 0 H LYS A 7 9.898 -2.821 1.348 1.00 0.00 H new ATOM 0 HA LYS A 7 8.212 -3.542 -0.971 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.354 -1.126 -0.714 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.095 -1.199 -0.530 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.765 -0.518 -2.767 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.175 -2.218 -2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.504 -2.494 -2.723 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.539 -0.860 -3.356 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.629 -3.389 -4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.456 -2.265 -5.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.251 -1.571 -6.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.538 -0.642 -5.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.363 -2.108 -5.244 1.00 0.00 H new ATOM 227 N TRP A 8 10.040 -4.845 -2.005 1.00 0.00 N ATOM 228 CA TRP A 8 11.087 -5.601 -2.670 1.00 0.00 C ATOM 229 C TRP A 8 11.795 -4.720 -3.693 1.00 0.00 C ATOM 230 O TRP A 8 11.163 -3.895 -4.356 1.00 0.00 O ATOM 231 CB TRP A 8 10.495 -6.834 -3.358 1.00 0.00 C ATOM 232 CG TRP A 8 11.533 -7.687 -4.024 1.00 0.00 C ATOM 233 CD1 TRP A 8 11.811 -7.748 -5.360 1.00 0.00 C ATOM 234 CD2 TRP A 8 12.437 -8.595 -3.382 1.00 0.00 C ATOM 235 NE1 TRP A 8 12.835 -8.634 -5.587 1.00 0.00 N ATOM 236 CE2 TRP A 8 13.235 -9.169 -4.390 1.00 0.00 C ATOM 237 CE3 TRP A 8 12.651 -8.977 -2.053 1.00 0.00 C ATOM 238 CZ2 TRP A 8 14.227 -10.104 -4.109 1.00 0.00 C ATOM 239 CZ3 TRP A 8 13.636 -9.905 -1.777 1.00 0.00 C ATOM 240 CH2 TRP A 8 14.414 -10.459 -2.801 1.00 0.00 C ATOM 0 H TRP A 8 9.093 -5.096 -2.288 1.00 0.00 H new ATOM 0 HA TRP A 8 11.811 -5.931 -1.924 1.00 0.00 H new ATOM 0 HB2 TRP A 8 9.959 -7.432 -2.621 1.00 0.00 H new ATOM 0 HB3 TRP A 8 9.765 -6.513 -4.101 1.00 0.00 H new ATOM 0 HD1 TRP A 8 11.300 -7.182 -6.125 1.00 0.00 H new ATOM 0 HE1 TRP A 8 13.234 -8.858 -6.499 1.00 0.00 H new ATOM 0 HE3 TRP A 8 12.056 -8.554 -1.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 14.828 -10.534 -4.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 13.809 -10.208 -0.755 1.00 0.00 H new ATOM 0 HH2 TRP A 8 15.178 -11.182 -2.553 1.00 0.00 H new ATOM 251 N THR A 9 13.103 -4.882 -3.808 1.00 0.00 N ATOM 252 CA THR A 9 13.880 -4.100 -4.755 1.00 0.00 C ATOM 253 C THR A 9 14.678 -5.009 -5.685 1.00 0.00 C ATOM 254 O THR A 9 14.285 -5.248 -6.826 1.00 0.00 O ATOM 255 CB THR A 9 14.831 -3.126 -4.029 1.00 0.00 C ATOM 256 OG1 THR A 9 15.528 -3.806 -2.971 1.00 0.00 O ATOM 257 CG2 THR A 9 14.058 -1.946 -3.458 1.00 0.00 C ATOM 0 H THR A 9 13.648 -5.547 -3.259 1.00 0.00 H new ATOM 0 HA THR A 9 13.178 -3.516 -5.350 1.00 0.00 H new ATOM 0 HB THR A 9 15.555 -2.754 -4.754 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.007 -4.585 -2.684 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.747 -1.271 -2.950 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.558 -1.413 -4.267 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.315 -2.308 -2.748 1.00 0.00 H new ATOM 265 N ASN A 10 15.789 -5.521 -5.178 1.00 0.00 N ATOM 266 CA ASN A 10 16.630 -6.445 -5.924 1.00 0.00 C ATOM 267 C ASN A 10 17.053 -7.566 -4.999 1.00 0.00 C ATOM 268 O ASN A 10 17.072 -7.386 -3.789 1.00 0.00 O ATOM 269 CB ASN A 10 17.887 -5.746 -6.464 1.00 0.00 C ATOM 270 CG ASN A 10 17.586 -4.539 -7.336 1.00 0.00 C ATOM 271 OD1 ASN A 10 17.391 -4.667 -8.543 1.00 0.00 O ATOM 272 ND2 ASN A 10 17.571 -3.356 -6.735 1.00 0.00 N ATOM 0 H ASN A 10 16.132 -5.309 -4.241 1.00 0.00 H new ATOM 0 HA ASN A 10 16.060 -6.828 -6.771 1.00 0.00 H new ATOM 0 HB2 ASN A 10 18.506 -5.431 -5.624 1.00 0.00 H new ATOM 0 HB3 ASN A 10 18.472 -6.463 -7.040 1.00 0.00 H new ATOM 0 HD21 ASN A 10 17.393 -2.511 -7.277 1.00 0.00 H new ATOM 0 HD22 ASN A 10 17.737 -3.292 -5.731 1.00 0.00 H new ATOM 279 N TYR A 11 17.407 -8.714 -5.555 1.00 0.00 N ATOM 280 CA TYR A 11 17.825 -9.846 -4.733 1.00 0.00 C ATOM 281 C TYR A 11 19.156 -9.569 -4.036 1.00 0.00 C ATOM 282 O TYR A 11 19.465 -10.175 -3.017 1.00 0.00 O ATOM 283 CB TYR A 11 17.903 -11.131 -5.564 1.00 0.00 C ATOM 284 CG TYR A 11 18.499 -10.957 -6.944 1.00 0.00 C ATOM 285 CD1 TYR A 11 19.875 -10.924 -7.135 1.00 0.00 C ATOM 286 CD2 TYR A 11 17.680 -10.846 -8.060 1.00 0.00 C ATOM 287 CE1 TYR A 11 20.415 -10.777 -8.395 1.00 0.00 C ATOM 288 CE2 TYR A 11 18.214 -10.698 -9.321 1.00 0.00 C ATOM 289 CZ TYR A 11 19.581 -10.667 -9.484 1.00 0.00 C ATOM 290 OH TYR A 11 20.115 -10.528 -10.741 1.00 0.00 O ATOM 0 H TYR A 11 17.415 -8.889 -6.560 1.00 0.00 H new ATOM 0 HA TYR A 11 17.069 -9.986 -3.961 1.00 0.00 H new ATOM 0 HB2 TYR A 11 18.495 -11.865 -5.018 1.00 0.00 H new ATOM 0 HB3 TYR A 11 16.899 -11.543 -5.666 1.00 0.00 H new ATOM 0 HD1 TYR A 11 20.532 -11.015 -6.283 1.00 0.00 H new ATOM 0 HD2 TYR A 11 16.607 -10.876 -7.937 1.00 0.00 H new ATOM 0 HE1 TYR A 11 21.487 -10.748 -8.527 1.00 0.00 H new ATOM 0 HE2 TYR A 11 17.563 -10.607 -10.178 1.00 0.00 H new ATOM 0 HH TYR A 11 19.391 -10.465 -11.399 1.00 0.00 H new ATOM 300 N LEU A 12 19.943 -8.659 -4.599 1.00 0.00 N ATOM 301 CA LEU A 12 21.205 -8.253 -3.985 1.00 0.00 C ATOM 302 C LEU A 12 20.960 -7.355 -2.772 1.00 0.00 C ATOM 303 O LEU A 12 21.629 -7.476 -1.746 1.00 0.00 O ATOM 304 CB LEU A 12 22.091 -7.535 -5.008 1.00 0.00 C ATOM 305 CG LEU A 12 22.546 -8.389 -6.194 1.00 0.00 C ATOM 306 CD1 LEU A 12 23.398 -7.563 -7.145 1.00 0.00 C ATOM 307 CD2 LEU A 12 23.315 -9.610 -5.709 1.00 0.00 C ATOM 0 H LEU A 12 19.731 -8.188 -5.479 1.00 0.00 H new ATOM 0 HA LEU A 12 21.720 -9.152 -3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 12 21.548 -6.671 -5.391 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.975 -7.155 -4.495 1.00 0.00 H new ATOM 0 HG LEU A 12 21.663 -8.733 -6.732 1.00 0.00 H new ATOM 0 HD11 LEU A 12 23.714 -8.184 -7.983 1.00 0.00 H new ATOM 0 HD12 LEU A 12 22.815 -6.720 -7.517 1.00 0.00 H new ATOM 0 HD13 LEU A 12 24.276 -7.192 -6.617 1.00 0.00 H new ATOM 0 HD21 LEU A 12 23.630 -10.205 -6.566 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.192 -9.288 -5.148 1.00 0.00 H new ATOM 0 HD23 LEU A 12 22.674 -10.212 -5.065 1.00 0.00 H new ATOM 319 N THR A 13 19.989 -6.462 -2.895 1.00 0.00 N ATOM 320 CA THR A 13 19.697 -5.501 -1.842 1.00 0.00 C ATOM 321 C THR A 13 18.695 -6.054 -0.832 1.00 0.00 C ATOM 322 O THR A 13 18.718 -5.693 0.345 1.00 0.00 O ATOM 323 CB THR A 13 19.156 -4.189 -2.440 1.00 0.00 C ATOM 324 OG1 THR A 13 18.166 -4.473 -3.438 1.00 0.00 O ATOM 325 CG2 THR A 13 20.278 -3.372 -3.052 1.00 0.00 C ATOM 0 H THR A 13 19.389 -6.383 -3.716 1.00 0.00 H new ATOM 0 HA THR A 13 20.633 -5.303 -1.320 1.00 0.00 H new ATOM 0 HB THR A 13 18.703 -3.610 -1.635 1.00 0.00 H new ATOM 0 HG1 THR A 13 17.290 -4.164 -3.127 1.00 0.00 H new ATOM 0 HG21 THR A 13 19.872 -2.450 -3.468 1.00 0.00 H new ATOM 0 HG22 THR A 13 21.013 -3.131 -2.284 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.757 -3.947 -3.844 1.00 0.00 H new ATOM 333 N GLY A 14 17.830 -6.939 -1.300 1.00 0.00 N ATOM 334 CA GLY A 14 16.797 -7.493 -0.456 1.00 0.00 C ATOM 335 C GLY A 14 15.557 -6.634 -0.459 1.00 0.00 C ATOM 336 O GLY A 14 14.878 -6.503 -1.482 1.00 0.00 O ATOM 0 H GLY A 14 17.827 -7.286 -2.259 1.00 0.00 H new ATOM 0 HA2 GLY A 14 16.546 -8.497 -0.799 1.00 0.00 H new ATOM 0 HA3 GLY A 14 17.172 -7.589 0.563 1.00 0.00 H new ATOM 340 N TRP A 15 15.284 -6.011 0.669 1.00 0.00 N ATOM 341 CA TRP A 15 14.073 -5.240 0.831 1.00 0.00 C ATOM 342 C TRP A 15 14.409 -3.843 1.329 1.00 0.00 C ATOM 343 O TRP A 15 15.411 -3.644 2.019 1.00 0.00 O ATOM 344 CB TRP A 15 13.140 -5.960 1.810 1.00 0.00 C ATOM 345 CG TRP A 15 13.387 -5.635 3.254 1.00 0.00 C ATOM 346 CD1 TRP A 15 14.365 -6.141 4.062 1.00 0.00 C ATOM 347 CD2 TRP A 15 12.629 -4.728 4.060 1.00 0.00 C ATOM 348 NE1 TRP A 15 14.265 -5.594 5.319 1.00 0.00 N ATOM 349 CE2 TRP A 15 13.207 -4.721 5.341 1.00 0.00 C ATOM 350 CE3 TRP A 15 11.521 -3.915 3.815 1.00 0.00 C ATOM 351 CZ2 TRP A 15 12.708 -3.935 6.378 1.00 0.00 C ATOM 352 CZ3 TRP A 15 11.027 -3.136 4.841 1.00 0.00 C ATOM 353 CH2 TRP A 15 11.621 -3.147 6.108 1.00 0.00 C ATOM 0 H TRP A 15 15.889 -6.025 1.490 1.00 0.00 H new ATOM 0 HA TRP A 15 13.567 -5.144 -0.130 1.00 0.00 H new ATOM 0 HB2 TRP A 15 12.109 -5.706 1.564 1.00 0.00 H new ATOM 0 HB3 TRP A 15 13.245 -7.036 1.669 1.00 0.00 H new ATOM 0 HD1 TRP A 15 15.107 -6.864 3.758 1.00 0.00 H new ATOM 0 HE1 TRP A 15 14.878 -5.803 6.107 1.00 0.00 H new ATOM 0 HE3 TRP A 15 11.058 -3.896 2.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 13.162 -3.947 7.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 10.167 -2.507 4.663 1.00 0.00 H new ATOM 0 HH2 TRP A 15 11.214 -2.521 6.889 1.00 0.00 H new ATOM 364 N GLN A 16 13.596 -2.880 0.949 1.00 0.00 N ATOM 365 CA GLN A 16 13.752 -1.522 1.433 1.00 0.00 C ATOM 366 C GLN A 16 12.411 -0.986 1.911 1.00 0.00 C ATOM 367 O GLN A 16 11.422 -1.031 1.178 1.00 0.00 O ATOM 368 CB GLN A 16 14.337 -0.619 0.343 1.00 0.00 C ATOM 369 CG GLN A 16 15.747 -1.011 -0.077 1.00 0.00 C ATOM 370 CD GLN A 16 16.381 -0.019 -1.036 1.00 0.00 C ATOM 371 OE1 GLN A 16 16.075 1.173 -1.008 1.00 0.00 O ATOM 372 NE2 GLN A 16 17.268 -0.503 -1.891 1.00 0.00 N ATOM 0 H GLN A 16 12.817 -3.012 0.304 1.00 0.00 H new ATOM 0 HA GLN A 16 14.448 -1.528 2.272 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.685 -0.647 -0.530 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.346 0.411 0.701 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.373 -1.099 0.811 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.720 -1.994 -0.547 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.495 -1.497 -1.883 1.00 0.00 H new ATOM 0 HE22 GLN A 16 17.725 0.119 -2.558 1.00 0.00 H new ATOM 381 N PRO A 17 12.345 -0.516 3.163 1.00 0.00 N ATOM 382 CA PRO A 17 11.138 0.102 3.703 1.00 0.00 C ATOM 383 C PRO A 17 10.821 1.407 2.985 1.00 0.00 C ATOM 384 O PRO A 17 11.605 2.358 3.018 1.00 0.00 O ATOM 385 CB PRO A 17 11.490 0.371 5.165 1.00 0.00 C ATOM 386 CG PRO A 17 12.978 0.420 5.193 1.00 0.00 C ATOM 387 CD PRO A 17 13.431 -0.563 4.155 1.00 0.00 C ATOM 0 HA PRO A 17 10.258 -0.530 3.583 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.056 1.309 5.510 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.107 -0.415 5.816 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.342 1.423 4.969 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.361 0.155 6.178 1.00 0.00 H new ATOM 0 HD2 PRO A 17 14.389 -0.278 3.719 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.555 -1.563 4.572 1.00 0.00 H new ATOM 395 N ARG A 18 9.687 1.449 2.316 1.00 0.00 N ATOM 396 CA ARG A 18 9.292 2.644 1.587 1.00 0.00 C ATOM 397 C ARG A 18 8.157 3.332 2.312 1.00 0.00 C ATOM 398 O ARG A 18 7.370 2.678 2.993 1.00 0.00 O ATOM 399 CB ARG A 18 8.876 2.309 0.151 1.00 0.00 C ATOM 400 CG ARG A 18 10.007 1.792 -0.728 1.00 0.00 C ATOM 401 CD ARG A 18 11.098 2.838 -0.938 1.00 0.00 C ATOM 402 NE ARG A 18 11.914 3.041 0.260 1.00 0.00 N ATOM 403 CZ ARG A 18 13.145 3.542 0.247 1.00 0.00 C ATOM 404 NH1 ARG A 18 13.705 3.914 -0.892 1.00 0.00 N ATOM 405 NH2 ARG A 18 13.815 3.672 1.382 1.00 0.00 N ATOM 0 H ARG A 18 9.024 0.676 2.260 1.00 0.00 H new ATOM 0 HA ARG A 18 10.151 3.314 1.537 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.084 1.561 0.180 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.454 3.202 -0.310 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.442 0.903 -0.272 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.604 1.490 -1.695 1.00 0.00 H new ATOM 0 HD2 ARG A 18 11.740 2.529 -1.763 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.640 3.784 -1.227 1.00 0.00 H new ATOM 0 HE ARG A 18 11.513 2.782 1.161 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.192 3.817 -1.768 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.650 4.298 -0.894 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.386 3.388 2.263 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.760 4.056 1.375 1.00 0.00 H new ATOM 419 N TRP A 19 8.067 4.641 2.155 1.00 0.00 N ATOM 420 CA TRP A 19 7.064 5.414 2.865 1.00 0.00 C ATOM 421 C TRP A 19 5.825 5.561 1.998 1.00 0.00 C ATOM 422 O TRP A 19 5.879 6.135 0.911 1.00 0.00 O ATOM 423 CB TRP A 19 7.614 6.793 3.248 1.00 0.00 C ATOM 424 CG TRP A 19 6.672 7.598 4.093 1.00 0.00 C ATOM 425 CD1 TRP A 19 5.733 8.486 3.654 1.00 0.00 C ATOM 426 CD2 TRP A 19 6.575 7.586 5.520 1.00 0.00 C ATOM 427 NE1 TRP A 19 5.061 9.028 4.722 1.00 0.00 N ATOM 428 CE2 TRP A 19 5.558 8.490 5.878 1.00 0.00 C ATOM 429 CE3 TRP A 19 7.247 6.897 6.530 1.00 0.00 C ATOM 430 CZ2 TRP A 19 5.200 8.724 7.202 1.00 0.00 C ATOM 431 CZ3 TRP A 19 6.890 7.128 7.845 1.00 0.00 C ATOM 432 CH2 TRP A 19 5.874 8.033 8.171 1.00 0.00 C ATOM 0 H TRP A 19 8.674 5.189 1.545 1.00 0.00 H new ATOM 0 HA TRP A 19 6.799 4.889 3.783 1.00 0.00 H new ATOM 0 HB2 TRP A 19 8.553 6.664 3.786 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.841 7.350 2.339 1.00 0.00 H new ATOM 0 HD1 TRP A 19 5.546 8.727 2.618 1.00 0.00 H new ATOM 0 HE1 TRP A 19 4.313 9.719 4.663 1.00 0.00 H new ATOM 0 HE3 TRP A 19 8.032 6.196 6.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 4.419 9.425 7.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 7.404 6.601 8.635 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.617 8.189 9.208 1.00 0.00 H new ATOM 443 N PHE A 20 4.722 5.020 2.480 1.00 0.00 N ATOM 444 CA PHE A 20 3.470 5.044 1.746 1.00 0.00 C ATOM 445 C PHE A 20 2.448 5.884 2.490 1.00 0.00 C ATOM 446 O PHE A 20 2.427 5.908 3.722 1.00 0.00 O ATOM 447 CB PHE A 20 2.924 3.623 1.548 1.00 0.00 C ATOM 448 CG PHE A 20 3.764 2.749 0.655 1.00 0.00 C ATOM 449 CD1 PHE A 20 4.856 2.065 1.159 1.00 0.00 C ATOM 450 CD2 PHE A 20 3.445 2.597 -0.685 1.00 0.00 C ATOM 451 CE1 PHE A 20 5.619 1.252 0.343 1.00 0.00 C ATOM 452 CE2 PHE A 20 4.201 1.784 -1.505 1.00 0.00 C ATOM 453 CZ PHE A 20 5.289 1.108 -0.990 1.00 0.00 C ATOM 0 H PHE A 20 4.668 4.554 3.386 1.00 0.00 H new ATOM 0 HA PHE A 20 3.658 5.483 0.766 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.833 3.144 2.523 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.919 3.689 1.130 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.115 2.168 2.202 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.594 3.122 -1.093 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.473 0.729 0.748 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.942 1.677 -2.548 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.880 0.468 -1.628 1.00 0.00 H new ATOM 463 N VAL A 21 1.624 6.591 1.741 1.00 0.00 N ATOM 464 CA VAL A 21 0.543 7.366 2.323 1.00 0.00 C ATOM 465 C VAL A 21 -0.748 7.121 1.558 1.00 0.00 C ATOM 466 O VAL A 21 -0.750 7.080 0.326 1.00 0.00 O ATOM 467 CB VAL A 21 0.846 8.888 2.347 1.00 0.00 C ATOM 468 CG1 VAL A 21 1.997 9.203 3.289 1.00 0.00 C ATOM 469 CG2 VAL A 21 1.145 9.418 0.952 1.00 0.00 C ATOM 0 H VAL A 21 1.682 6.645 0.724 1.00 0.00 H new ATOM 0 HA VAL A 21 0.438 7.034 3.356 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.049 9.390 2.716 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.187 10.276 3.285 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.739 8.884 4.299 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.892 8.675 2.959 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.353 10.487 1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.013 8.900 0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.284 9.248 0.306 1.00 0.00 H new ATOM 479 N LEU A 22 -1.833 6.921 2.285 1.00 0.00 N ATOM 480 CA LEU A 22 -3.133 6.779 1.659 1.00 0.00 C ATOM 481 C LEU A 22 -3.888 8.082 1.851 1.00 0.00 C ATOM 482 O LEU A 22 -4.127 8.509 2.983 1.00 0.00 O ATOM 483 CB LEU A 22 -3.903 5.592 2.270 1.00 0.00 C ATOM 484 CG LEU A 22 -5.145 5.099 1.495 1.00 0.00 C ATOM 485 CD1 LEU A 22 -6.310 6.071 1.620 1.00 0.00 C ATOM 486 CD2 LEU A 22 -4.811 4.866 0.029 1.00 0.00 C ATOM 0 H LEU A 22 -1.839 6.854 3.303 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.021 6.572 0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.212 4.755 2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.218 5.872 3.275 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.449 4.152 1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.164 5.689 1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.582 6.180 2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.019 7.042 1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.701 4.519 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.466 5.798 -0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.027 4.113 -0.050 1.00 0.00 H new ATOM 498 N ASP A 23 -4.246 8.710 0.745 1.00 0.00 N ATOM 499 CA ASP A 23 -4.882 10.017 0.785 1.00 0.00 C ATOM 500 C ASP A 23 -5.887 10.182 -0.349 1.00 0.00 C ATOM 501 O ASP A 23 -5.514 10.211 -1.524 1.00 0.00 O ATOM 502 CB ASP A 23 -3.820 11.121 0.717 1.00 0.00 C ATOM 503 CG ASP A 23 -4.426 12.506 0.618 1.00 0.00 C ATOM 504 OD1 ASP A 23 -5.298 12.837 1.442 1.00 0.00 O ATOM 505 OD2 ASP A 23 -4.016 13.276 -0.279 1.00 0.00 O ATOM 0 H ASP A 23 -4.107 8.336 -0.194 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.425 10.099 1.727 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.188 11.067 1.603 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.176 10.948 -0.145 1.00 0.00 H new ATOM 510 N ASN A 24 -7.161 10.254 0.025 1.00 0.00 N ATOM 511 CA ASN A 24 -8.261 10.519 -0.907 1.00 0.00 C ATOM 512 C ASN A 24 -8.292 9.500 -2.049 1.00 0.00 C ATOM 513 O ASN A 24 -8.436 9.856 -3.218 1.00 0.00 O ATOM 514 CB ASN A 24 -8.158 11.946 -1.461 1.00 0.00 C ATOM 515 CG ASN A 24 -9.443 12.415 -2.123 1.00 0.00 C ATOM 516 OD1 ASN A 24 -10.542 12.002 -1.747 1.00 0.00 O ATOM 517 ND2 ASN A 24 -9.314 13.292 -3.106 1.00 0.00 N ATOM 0 H ASN A 24 -7.465 10.130 0.991 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.196 10.421 -0.355 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.903 12.628 -0.650 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.344 11.992 -2.185 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -10.142 13.651 -3.582 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.387 13.609 -3.388 1.00 0.00 H new ATOM 524 N GLY A 25 -8.135 8.227 -1.704 1.00 0.00 N ATOM 525 CA GLY A 25 -8.221 7.173 -2.700 1.00 0.00 C ATOM 526 C GLY A 25 -6.919 6.954 -3.442 1.00 0.00 C ATOM 527 O GLY A 25 -6.828 6.082 -4.307 1.00 0.00 O ATOM 0 H GLY A 25 -7.950 7.905 -0.754 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.516 6.244 -2.213 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.004 7.420 -3.417 1.00 0.00 H new ATOM 531 N ILE A 26 -5.911 7.746 -3.122 1.00 0.00 N ATOM 532 CA ILE A 26 -4.615 7.600 -3.758 1.00 0.00 C ATOM 533 C ILE A 26 -3.589 7.068 -2.765 1.00 0.00 C ATOM 534 O ILE A 26 -3.446 7.592 -1.661 1.00 0.00 O ATOM 535 CB ILE A 26 -4.108 8.933 -4.352 1.00 0.00 C ATOM 536 CG1 ILE A 26 -5.161 9.547 -5.288 1.00 0.00 C ATOM 537 CG2 ILE A 26 -2.797 8.714 -5.095 1.00 0.00 C ATOM 538 CD1 ILE A 26 -5.626 8.612 -6.388 1.00 0.00 C ATOM 0 H ILE A 26 -5.965 8.493 -2.429 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.740 6.889 -4.575 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.933 9.631 -3.533 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -6.024 9.854 -4.697 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.748 10.448 -5.741 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.451 9.661 -5.509 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.049 8.324 -4.405 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.952 8.000 -5.904 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.368 9.118 -7.006 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.775 8.325 -7.005 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.070 7.721 -5.944 1.00 0.00 H new ATOM 550 N LEU A 27 -2.895 6.021 -3.168 1.00 0.00 N ATOM 551 CA LEU A 27 -1.851 5.426 -2.360 1.00 0.00 C ATOM 552 C LEU A 27 -0.510 5.803 -2.976 1.00 0.00 C ATOM 553 O LEU A 27 -0.168 5.360 -4.072 1.00 0.00 O ATOM 554 CB LEU A 27 -2.051 3.898 -2.295 1.00 0.00 C ATOM 555 CG LEU A 27 -1.268 3.145 -1.208 1.00 0.00 C ATOM 556 CD1 LEU A 27 0.184 2.948 -1.612 1.00 0.00 C ATOM 557 CD2 LEU A 27 -1.356 3.880 0.125 1.00 0.00 C ATOM 0 H LEU A 27 -3.040 5.559 -4.066 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.884 5.796 -1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.113 3.700 -2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.779 3.478 -3.263 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.721 2.161 -1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.712 2.412 -0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.230 2.371 -2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.653 3.919 -1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.795 3.331 0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.936 4.880 0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.400 3.955 0.431 1.00 0.00 H new ATOM 569 N SER A 28 0.228 6.646 -2.283 1.00 0.00 N ATOM 570 CA SER A 28 1.459 7.191 -2.824 1.00 0.00 C ATOM 571 C SER A 28 2.672 6.584 -2.137 1.00 0.00 C ATOM 572 O SER A 28 2.615 6.233 -0.958 1.00 0.00 O ATOM 573 CB SER A 28 1.465 8.710 -2.664 1.00 0.00 C ATOM 574 OG SER A 28 0.297 9.284 -3.226 1.00 0.00 O ATOM 0 H SER A 28 -0.002 6.969 -1.343 1.00 0.00 H new ATOM 0 HA SER A 28 1.512 6.941 -3.884 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.529 8.968 -1.607 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.348 9.127 -3.148 1.00 0.00 H new ATOM 0 HG SER A 28 0.322 10.257 -3.110 1.00 0.00 H new ATOM 580 N TYR A 29 3.759 6.459 -2.887 1.00 0.00 N ATOM 581 CA TYR A 29 4.993 5.880 -2.377 1.00 0.00 C ATOM 582 C TYR A 29 6.148 6.866 -2.514 1.00 0.00 C ATOM 583 O TYR A 29 6.314 7.503 -3.556 1.00 0.00 O ATOM 584 CB TYR A 29 5.314 4.571 -3.113 1.00 0.00 C ATOM 585 CG TYR A 29 5.222 4.663 -4.625 1.00 0.00 C ATOM 586 CD1 TYR A 29 4.026 4.396 -5.282 1.00 0.00 C ATOM 587 CD2 TYR A 29 6.324 5.015 -5.394 1.00 0.00 C ATOM 588 CE1 TYR A 29 3.933 4.478 -6.657 1.00 0.00 C ATOM 589 CE2 TYR A 29 6.237 5.101 -6.771 1.00 0.00 C ATOM 590 CZ TYR A 29 5.039 4.832 -7.396 1.00 0.00 C ATOM 591 OH TYR A 29 4.945 4.921 -8.767 1.00 0.00 O ATOM 0 H TYR A 29 3.810 6.755 -3.862 1.00 0.00 H new ATOM 0 HA TYR A 29 4.856 5.659 -1.318 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.321 4.253 -2.841 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.630 3.796 -2.766 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.155 4.120 -4.707 1.00 0.00 H new ATOM 0 HD2 TYR A 29 7.265 5.225 -4.908 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.996 4.265 -7.151 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.103 5.378 -7.354 1.00 0.00 H new ATOM 0 HH TYR A 29 5.813 5.183 -9.138 1.00 0.00 H new ATOM 601 N TYR A 30 6.923 7.004 -1.450 1.00 0.00 N ATOM 602 CA TYR A 30 8.064 7.911 -1.434 1.00 0.00 C ATOM 603 C TYR A 30 9.276 7.219 -0.820 1.00 0.00 C ATOM 604 O TYR A 30 9.140 6.168 -0.187 1.00 0.00 O ATOM 605 CB TYR A 30 7.742 9.177 -0.629 1.00 0.00 C ATOM 606 CG TYR A 30 6.488 9.896 -1.078 1.00 0.00 C ATOM 607 CD1 TYR A 30 5.249 9.577 -0.532 1.00 0.00 C ATOM 608 CD2 TYR A 30 6.541 10.899 -2.041 1.00 0.00 C ATOM 609 CE1 TYR A 30 4.103 10.233 -0.932 1.00 0.00 C ATOM 610 CE2 TYR A 30 5.395 11.559 -2.444 1.00 0.00 C ATOM 611 CZ TYR A 30 4.180 11.222 -1.886 1.00 0.00 C ATOM 612 OH TYR A 30 3.032 11.874 -2.280 1.00 0.00 O ATOM 0 H TYR A 30 6.782 6.495 -0.577 1.00 0.00 H new ATOM 0 HA TYR A 30 8.286 8.193 -2.463 1.00 0.00 H new ATOM 0 HB2 TYR A 30 7.637 8.909 0.422 1.00 0.00 H new ATOM 0 HB3 TYR A 30 8.586 9.863 -0.700 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.183 8.803 0.218 1.00 0.00 H new ATOM 0 HD2 TYR A 30 7.491 11.166 -2.480 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.149 9.971 -0.498 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.451 12.335 -3.193 1.00 0.00 H new ATOM 0 HH TYR A 30 2.908 11.764 -3.246 1.00 0.00 H new ATOM 622 N ASP A 31 10.457 7.800 -1.005 1.00 0.00 N ATOM 623 CA ASP A 31 11.667 7.275 -0.377 1.00 0.00 C ATOM 624 C ASP A 31 11.611 7.481 1.131 1.00 0.00 C ATOM 625 O ASP A 31 12.050 6.629 1.903 1.00 0.00 O ATOM 626 CB ASP A 31 12.924 7.953 -0.940 1.00 0.00 C ATOM 627 CG ASP A 31 13.272 7.489 -2.339 1.00 0.00 C ATOM 628 OD1 ASP A 31 12.712 8.036 -3.309 1.00 0.00 O ATOM 629 OD2 ASP A 31 14.117 6.577 -2.477 1.00 0.00 O ATOM 0 H ASP A 31 10.603 8.629 -1.581 1.00 0.00 H new ATOM 0 HA ASP A 31 11.720 6.209 -0.597 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.775 9.033 -0.948 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.766 7.753 -0.277 1.00 0.00 H new ATOM 634 N SER A 32 11.048 8.608 1.541 1.00 0.00 N ATOM 635 CA SER A 32 10.962 8.950 2.950 1.00 0.00 C ATOM 636 C SER A 32 9.845 9.960 3.189 1.00 0.00 C ATOM 637 O SER A 32 9.148 10.355 2.254 1.00 0.00 O ATOM 638 CB SER A 32 12.301 9.515 3.443 1.00 0.00 C ATOM 639 OG SER A 32 12.281 9.770 4.837 1.00 0.00 O ATOM 0 H SER A 32 10.643 9.303 0.914 1.00 0.00 H new ATOM 0 HA SER A 32 10.735 8.043 3.511 1.00 0.00 H new ATOM 0 HB2 SER A 32 13.100 8.810 3.213 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.526 10.437 2.908 1.00 0.00 H new ATOM 0 HG SER A 32 13.150 10.127 5.117 1.00 0.00 H new ATOM 645 N GLN A 33 9.704 10.393 4.430 1.00 0.00 N ATOM 646 CA GLN A 33 8.664 11.340 4.811 1.00 0.00 C ATOM 647 C GLN A 33 8.990 12.726 4.258 1.00 0.00 C ATOM 648 O GLN A 33 8.114 13.436 3.763 1.00 0.00 O ATOM 649 CB GLN A 33 8.529 11.355 6.343 1.00 0.00 C ATOM 650 CG GLN A 33 7.515 12.351 6.895 1.00 0.00 C ATOM 651 CD GLN A 33 8.101 13.737 7.100 1.00 0.00 C ATOM 652 OE1 GLN A 33 9.298 13.886 7.347 1.00 0.00 O ATOM 653 NE2 GLN A 33 7.262 14.756 7.015 1.00 0.00 N ATOM 0 H GLN A 33 10.304 10.101 5.201 1.00 0.00 H new ATOM 0 HA GLN A 33 7.707 11.035 4.386 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.252 10.355 6.677 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.505 11.576 6.776 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.669 12.417 6.211 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.129 11.981 7.845 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.277 14.590 6.808 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.600 15.708 7.156 1.00 0.00 H new ATOM 662 N ASP A 34 10.272 13.075 4.308 1.00 0.00 N ATOM 663 CA ASP A 34 10.759 14.372 3.829 1.00 0.00 C ATOM 664 C ASP A 34 10.430 14.575 2.348 1.00 0.00 C ATOM 665 O ASP A 34 10.286 15.704 1.874 1.00 0.00 O ATOM 666 CB ASP A 34 12.276 14.456 4.042 1.00 0.00 C ATOM 667 CG ASP A 34 12.869 15.789 3.617 1.00 0.00 C ATOM 668 OD1 ASP A 34 13.190 15.950 2.421 1.00 0.00 O ATOM 669 OD2 ASP A 34 13.044 16.669 4.479 1.00 0.00 O ATOM 0 H ASP A 34 11.004 12.470 4.680 1.00 0.00 H new ATOM 0 HA ASP A 34 10.261 15.159 4.395 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.498 14.287 5.096 1.00 0.00 H new ATOM 0 HB3 ASP A 34 12.760 13.656 3.482 1.00 0.00 H new ATOM 674 N ASP A 35 10.274 13.467 1.636 1.00 0.00 N ATOM 675 CA ASP A 35 10.096 13.494 0.186 1.00 0.00 C ATOM 676 C ASP A 35 8.616 13.608 -0.194 1.00 0.00 C ATOM 677 O ASP A 35 8.281 13.944 -1.327 1.00 0.00 O ATOM 678 CB ASP A 35 10.710 12.230 -0.426 1.00 0.00 C ATOM 679 CG ASP A 35 10.926 12.346 -1.921 1.00 0.00 C ATOM 680 OD1 ASP A 35 11.899 13.021 -2.329 1.00 0.00 O ATOM 681 OD2 ASP A 35 10.145 11.757 -2.689 1.00 0.00 O ATOM 0 H ASP A 35 10.267 12.531 2.040 1.00 0.00 H new ATOM 0 HA ASP A 35 10.604 14.374 -0.209 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.664 12.024 0.059 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.058 11.380 -0.223 1.00 0.00 H new ATOM 686 N VAL A 36 7.735 13.376 0.774 1.00 0.00 N ATOM 687 CA VAL A 36 6.293 13.374 0.518 1.00 0.00 C ATOM 688 C VAL A 36 5.802 14.753 0.086 1.00 0.00 C ATOM 689 O VAL A 36 5.070 14.887 -0.895 1.00 0.00 O ATOM 690 CB VAL A 36 5.498 12.935 1.767 1.00 0.00 C ATOM 691 CG1 VAL A 36 4.001 12.931 1.485 1.00 0.00 C ATOM 692 CG2 VAL A 36 5.963 11.568 2.249 1.00 0.00 C ATOM 0 H VAL A 36 7.991 13.187 1.743 1.00 0.00 H new ATOM 0 HA VAL A 36 6.123 12.660 -0.288 1.00 0.00 H new ATOM 0 HB VAL A 36 5.688 13.657 2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.463 12.618 2.380 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.682 13.934 1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.786 12.238 0.672 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.390 11.278 3.130 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.811 10.833 1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.022 11.613 2.504 1.00 0.00 H new ATOM 702 N CYS A 37 6.227 15.775 0.812 1.00 0.00 N ATOM 703 CA CYS A 37 5.765 17.135 0.581 1.00 0.00 C ATOM 704 C CYS A 37 6.178 17.660 -0.795 1.00 0.00 C ATOM 705 O CYS A 37 5.585 18.611 -1.309 1.00 0.00 O ATOM 706 CB CYS A 37 6.332 18.030 1.671 1.00 0.00 C ATOM 707 SG CYS A 37 5.761 17.605 3.333 1.00 0.00 S ATOM 0 H CYS A 37 6.899 15.686 1.574 1.00 0.00 H new ATOM 0 HA CYS A 37 4.675 17.138 0.608 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.420 17.974 1.645 1.00 0.00 H new ATOM 0 HB3 CYS A 37 6.061 19.064 1.457 1.00 0.00 H new ATOM 0 HG CYS A 37 6.296 18.417 4.196 1.00 0.00 H new ATOM 713 N LYS A 38 7.191 17.038 -1.385 1.00 0.00 N ATOM 714 CA LYS A 38 7.721 17.483 -2.665 1.00 0.00 C ATOM 715 C LYS A 38 6.711 17.264 -3.791 1.00 0.00 C ATOM 716 O LYS A 38 6.689 18.003 -4.779 1.00 0.00 O ATOM 717 CB LYS A 38 9.029 16.758 -2.998 1.00 0.00 C ATOM 718 CG LYS A 38 10.020 16.682 -1.845 1.00 0.00 C ATOM 719 CD LYS A 38 10.195 18.019 -1.156 1.00 0.00 C ATOM 720 CE LYS A 38 11.608 18.180 -0.624 1.00 0.00 C ATOM 721 NZ LYS A 38 12.033 17.027 0.217 1.00 0.00 N ATOM 0 H LYS A 38 7.662 16.222 -0.995 1.00 0.00 H new ATOM 0 HA LYS A 38 7.919 18.551 -2.579 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.795 15.745 -3.327 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.506 17.263 -3.838 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.677 15.943 -1.121 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.985 16.338 -2.218 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.973 18.824 -1.856 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.482 18.105 -0.336 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.298 18.290 -1.461 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.670 19.097 -0.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.602 17.371 1.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.193 16.533 0.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.601 16.371 -0.355 1.00 0.00 H new ATOM 735 N GLY A 39 5.875 16.251 -3.623 1.00 0.00 N ATOM 736 CA GLY A 39 4.877 15.931 -4.625 1.00 0.00 C ATOM 737 C GLY A 39 5.275 14.740 -5.473 1.00 0.00 C ATOM 738 O GLY A 39 6.286 14.781 -6.173 1.00 0.00 O ATOM 0 H GLY A 39 5.869 15.641 -2.806 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.926 15.723 -4.134 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.721 16.797 -5.269 1.00 0.00 H new ATOM 742 N SER A 40 4.488 13.677 -5.414 1.00 0.00 N ATOM 743 CA SER A 40 4.779 12.474 -6.176 1.00 0.00 C ATOM 744 C SER A 40 4.303 12.594 -7.619 1.00 0.00 C ATOM 745 O SER A 40 3.217 13.102 -7.892 1.00 0.00 O ATOM 746 CB SER A 40 4.128 11.267 -5.507 1.00 0.00 C ATOM 747 OG SER A 40 2.814 11.579 -5.061 1.00 0.00 O ATOM 0 H SER A 40 3.643 13.623 -4.846 1.00 0.00 H new ATOM 0 HA SER A 40 5.861 12.341 -6.194 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.089 10.434 -6.209 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.736 10.943 -4.662 1.00 0.00 H new ATOM 0 HG SER A 40 2.176 10.950 -5.458 1.00 0.00 H new ATOM 753 N LYS A 41 5.138 12.136 -8.540 1.00 0.00 N ATOM 754 CA LYS A 41 4.775 12.093 -9.951 1.00 0.00 C ATOM 755 C LYS A 41 4.245 10.709 -10.304 1.00 0.00 C ATOM 756 O LYS A 41 3.555 10.525 -11.304 1.00 0.00 O ATOM 757 CB LYS A 41 5.971 12.454 -10.839 1.00 0.00 C ATOM 758 CG LYS A 41 6.241 13.944 -10.922 1.00 0.00 C ATOM 759 CD LYS A 41 6.747 14.498 -9.604 1.00 0.00 C ATOM 760 CE LYS A 41 6.389 15.960 -9.461 1.00 0.00 C ATOM 761 NZ LYS A 41 7.036 16.804 -10.500 1.00 0.00 N ATOM 0 H LYS A 41 6.075 11.788 -8.336 1.00 0.00 H new ATOM 0 HA LYS A 41 3.993 12.831 -10.131 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.860 11.953 -10.456 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.796 12.069 -11.844 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.976 14.137 -11.704 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.327 14.464 -11.208 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.317 13.932 -8.778 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.829 14.377 -9.545 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.307 16.075 -9.525 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.689 16.310 -8.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.788 17.801 -10.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.068 16.691 -10.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.704 16.511 -11.441 1.00 0.00 H new ATOM 775 N GLY A 42 4.580 9.741 -9.462 1.00 0.00 N ATOM 776 CA GLY A 42 4.067 8.397 -9.615 1.00 0.00 C ATOM 777 C GLY A 42 3.304 7.976 -8.382 1.00 0.00 C ATOM 778 O GLY A 42 3.816 8.088 -7.266 1.00 0.00 O ATOM 0 H GLY A 42 5.206 9.867 -8.667 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.415 8.348 -10.487 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.891 7.706 -9.793 1.00 0.00 H new ATOM 782 N SER A 43 2.074 7.532 -8.562 1.00 0.00 N ATOM 783 CA SER A 43 1.230 7.153 -7.440 1.00 0.00 C ATOM 784 C SER A 43 0.270 6.037 -7.843 1.00 0.00 C ATOM 785 O SER A 43 0.082 5.771 -9.030 1.00 0.00 O ATOM 786 CB SER A 43 0.463 8.382 -6.942 1.00 0.00 C ATOM 787 OG SER A 43 1.363 9.425 -6.595 1.00 0.00 O ATOM 0 H SER A 43 1.635 7.424 -9.476 1.00 0.00 H new ATOM 0 HA SER A 43 1.855 6.775 -6.631 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.222 8.728 -7.716 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.143 8.114 -6.076 1.00 0.00 H new ATOM 0 HG SER A 43 2.283 9.088 -6.626 1.00 0.00 H new ATOM 793 N ILE A 44 -0.342 5.396 -6.856 1.00 0.00 N ATOM 794 CA ILE A 44 -1.216 4.263 -7.107 1.00 0.00 C ATOM 795 C ILE A 44 -2.662 4.633 -6.801 1.00 0.00 C ATOM 796 O ILE A 44 -2.996 5.027 -5.688 1.00 0.00 O ATOM 797 CB ILE A 44 -0.806 3.039 -6.254 1.00 0.00 C ATOM 798 CG1 ILE A 44 0.628 2.606 -6.582 1.00 0.00 C ATOM 799 CG2 ILE A 44 -1.772 1.883 -6.473 1.00 0.00 C ATOM 800 CD1 ILE A 44 1.129 1.461 -5.724 1.00 0.00 C ATOM 0 H ILE A 44 -0.247 5.644 -5.871 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.122 3.999 -8.160 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.847 3.329 -5.204 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.679 2.312 -7.630 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.294 3.460 -6.458 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.466 1.032 -5.864 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.778 2.190 -6.187 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.765 1.597 -7.525 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.149 1.209 -6.013 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.111 1.757 -4.675 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.487 0.592 -5.866 1.00 0.00 H new ATOM 812 N LYS A 45 -3.511 4.513 -7.805 1.00 0.00 N ATOM 813 CA LYS A 45 -4.922 4.846 -7.667 1.00 0.00 C ATOM 814 C LYS A 45 -5.700 3.652 -7.131 1.00 0.00 C ATOM 815 O LYS A 45 -5.872 2.653 -7.824 1.00 0.00 O ATOM 816 CB LYS A 45 -5.488 5.296 -9.022 1.00 0.00 C ATOM 817 CG LYS A 45 -6.972 5.021 -9.188 1.00 0.00 C ATOM 818 CD LYS A 45 -7.504 5.560 -10.501 1.00 0.00 C ATOM 819 CE LYS A 45 -7.381 7.067 -10.554 1.00 0.00 C ATOM 820 NZ LYS A 45 -8.205 7.664 -11.635 1.00 0.00 N ATOM 0 H LYS A 45 -3.247 4.185 -8.734 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.024 5.665 -6.956 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.310 6.365 -9.143 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.943 4.790 -9.819 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.150 3.947 -9.138 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.520 5.474 -8.361 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.954 5.117 -11.331 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.548 5.272 -10.621 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.684 7.488 -9.595 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.336 7.339 -10.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.087 8.697 -11.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.900 7.284 -12.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.206 7.429 -11.479 1.00 0.00 H new ATOM 834 N MET A 46 -6.188 3.772 -5.899 1.00 0.00 N ATOM 835 CA MET A 46 -6.919 2.684 -5.253 1.00 0.00 C ATOM 836 C MET A 46 -8.141 2.275 -6.061 1.00 0.00 C ATOM 837 O MET A 46 -8.474 1.106 -6.124 1.00 0.00 O ATOM 838 CB MET A 46 -7.361 3.071 -3.839 1.00 0.00 C ATOM 839 CG MET A 46 -6.233 3.101 -2.820 1.00 0.00 C ATOM 840 SD MET A 46 -6.454 1.893 -1.511 1.00 0.00 S ATOM 841 CE MET A 46 -6.242 0.373 -2.424 1.00 0.00 C ATOM 0 H MET A 46 -6.091 4.611 -5.328 1.00 0.00 H new ATOM 0 HA MET A 46 -6.233 1.839 -5.195 1.00 0.00 H new ATOM 0 HB2 MET A 46 -7.831 4.054 -3.873 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.121 2.366 -3.502 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.286 2.914 -3.326 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.169 4.098 -2.383 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.682 -0.340 -1.819 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.219 -0.045 -2.666 1.00 0.00 H new ATOM 0 HE3 MET A 46 -5.696 0.575 -3.345 1.00 0.00 H new ATOM 851 N ALA A 47 -8.783 3.242 -6.700 1.00 0.00 N ATOM 852 CA ALA A 47 -10.020 2.994 -7.438 1.00 0.00 C ATOM 853 C ALA A 47 -9.796 2.142 -8.693 1.00 0.00 C ATOM 854 O ALA A 47 -10.756 1.723 -9.341 1.00 0.00 O ATOM 855 CB ALA A 47 -10.674 4.314 -7.809 1.00 0.00 C ATOM 0 H ALA A 47 -8.468 4.212 -6.724 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.680 2.426 -6.782 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.595 4.122 -8.359 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.903 4.874 -6.902 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.994 4.894 -8.432 1.00 0.00 H new ATOM 861 N VAL A 48 -8.537 1.915 -9.051 1.00 0.00 N ATOM 862 CA VAL A 48 -8.215 1.089 -10.209 1.00 0.00 C ATOM 863 C VAL A 48 -7.263 -0.050 -9.814 1.00 0.00 C ATOM 864 O VAL A 48 -6.931 -0.915 -10.625 1.00 0.00 O ATOM 865 CB VAL A 48 -7.592 1.942 -11.343 1.00 0.00 C ATOM 866 CG1 VAL A 48 -6.176 2.360 -11.002 1.00 0.00 C ATOM 867 CG2 VAL A 48 -7.623 1.207 -12.669 1.00 0.00 C ATOM 0 H VAL A 48 -7.726 2.289 -8.559 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.143 0.654 -10.579 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.199 2.842 -11.441 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.767 2.957 -11.817 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.182 2.951 -10.086 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.560 1.473 -10.857 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.179 1.833 -13.443 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.057 0.279 -12.584 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.655 0.980 -12.935 1.00 0.00 H new ATOM 877 N CYS A 49 -6.838 -0.054 -8.559 1.00 0.00 N ATOM 878 CA CYS A 49 -5.873 -1.029 -8.087 1.00 0.00 C ATOM 879 C CYS A 49 -6.483 -1.896 -7.000 1.00 0.00 C ATOM 880 O CYS A 49 -7.128 -1.396 -6.082 1.00 0.00 O ATOM 881 CB CYS A 49 -4.640 -0.312 -7.550 1.00 0.00 C ATOM 882 SG CYS A 49 -3.925 0.865 -8.716 1.00 0.00 S ATOM 0 H CYS A 49 -7.149 0.610 -7.850 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.584 -1.670 -8.920 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.906 0.214 -6.633 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.885 -1.053 -7.285 1.00 0.00 H new ATOM 0 HG CYS A 49 -4.678 1.923 -8.782 1.00 0.00 H new ATOM 888 N GLU A 50 -6.267 -3.189 -7.101 1.00 0.00 N ATOM 889 CA GLU A 50 -6.796 -4.117 -6.129 1.00 0.00 C ATOM 890 C GLU A 50 -5.821 -4.297 -4.981 1.00 0.00 C ATOM 891 O GLU A 50 -4.652 -4.635 -5.189 1.00 0.00 O ATOM 892 CB GLU A 50 -7.076 -5.471 -6.780 1.00 0.00 C ATOM 893 CG GLU A 50 -8.549 -5.817 -6.869 1.00 0.00 C ATOM 894 CD GLU A 50 -9.174 -6.011 -5.505 1.00 0.00 C ATOM 895 OE1 GLU A 50 -9.022 -7.112 -4.932 1.00 0.00 O ATOM 896 OE2 GLU A 50 -9.817 -5.070 -5.006 1.00 0.00 O ATOM 0 H GLU A 50 -5.726 -3.622 -7.850 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.729 -3.708 -5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.651 -5.475 -7.784 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.564 -6.248 -6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.076 -5.023 -7.398 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.672 -6.727 -7.456 1.00 0.00 H new ATOM 903 N ILE A 51 -6.300 -4.049 -3.780 1.00 0.00 N ATOM 904 CA ILE A 51 -5.552 -4.368 -2.582 1.00 0.00 C ATOM 905 C ILE A 51 -6.076 -5.682 -2.045 1.00 0.00 C ATOM 906 O ILE A 51 -7.224 -5.782 -1.620 1.00 0.00 O ATOM 907 CB ILE A 51 -5.676 -3.248 -1.518 1.00 0.00 C ATOM 908 CG1 ILE A 51 -5.221 -3.714 -0.126 1.00 0.00 C ATOM 909 CG2 ILE A 51 -7.105 -2.726 -1.448 1.00 0.00 C ATOM 910 CD1 ILE A 51 -3.739 -3.994 -0.005 1.00 0.00 C ATOM 0 H ILE A 51 -7.211 -3.624 -3.607 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.492 -4.452 -2.823 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.013 -2.442 -1.831 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.494 -2.952 0.604 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.770 -4.618 0.137 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.169 -1.941 -0.695 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.393 -2.322 -2.419 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.777 -3.541 -1.180 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.511 -4.317 1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.459 -4.780 -0.707 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.178 -3.088 -0.232 1.00 0.00 H new ATOM 922 N LYS A 52 -5.240 -6.694 -2.063 1.00 0.00 N ATOM 923 CA LYS A 52 -5.719 -8.031 -1.785 1.00 0.00 C ATOM 924 C LYS A 52 -5.751 -8.258 -0.287 1.00 0.00 C ATOM 925 O LYS A 52 -4.714 -8.368 0.366 1.00 0.00 O ATOM 926 CB LYS A 52 -4.852 -9.076 -2.494 1.00 0.00 C ATOM 927 CG LYS A 52 -4.557 -8.737 -3.954 1.00 0.00 C ATOM 928 CD LYS A 52 -5.816 -8.376 -4.741 1.00 0.00 C ATOM 929 CE LYS A 52 -6.672 -9.589 -5.059 1.00 0.00 C ATOM 930 NZ LYS A 52 -7.851 -9.227 -5.891 1.00 0.00 N ATOM 0 H LYS A 52 -4.242 -6.622 -2.263 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.733 -8.137 -2.171 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.910 -9.179 -1.956 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.353 -10.043 -2.448 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.856 -7.903 -3.995 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.068 -9.588 -4.429 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.405 -7.660 -4.168 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.531 -7.883 -5.670 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.071 -10.332 -5.583 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.009 -10.050 -4.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.457 -10.063 -6.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.392 -8.476 -5.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.529 -8.889 -6.821 1.00 0.00 H new ATOM 944 N VAL A 53 -6.962 -8.311 0.249 1.00 0.00 N ATOM 945 CA VAL A 53 -7.164 -8.391 1.681 1.00 0.00 C ATOM 946 C VAL A 53 -8.088 -9.543 2.044 1.00 0.00 C ATOM 947 O VAL A 53 -9.258 -9.565 1.651 1.00 0.00 O ATOM 948 CB VAL A 53 -7.737 -7.062 2.232 1.00 0.00 C ATOM 949 CG1 VAL A 53 -8.187 -7.214 3.674 1.00 0.00 C ATOM 950 CG2 VAL A 53 -6.696 -5.958 2.114 1.00 0.00 C ATOM 0 H VAL A 53 -7.824 -8.300 -0.296 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.191 -8.572 2.138 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.610 -6.794 1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.584 -6.265 4.033 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.962 -7.978 3.735 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.338 -7.509 4.291 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.107 -5.027 2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.810 -6.231 2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.424 -5.824 1.067 1.00 0.00 H new ATOM 960 N HIS A 54 -7.540 -10.507 2.773 1.00 0.00 N ATOM 961 CA HIS A 54 -8.313 -11.633 3.280 1.00 0.00 C ATOM 962 C HIS A 54 -8.758 -11.344 4.717 1.00 0.00 C ATOM 963 O HIS A 54 -9.541 -12.091 5.300 1.00 0.00 O ATOM 964 CB HIS A 54 -7.473 -12.913 3.199 1.00 0.00 C ATOM 965 CG HIS A 54 -8.188 -14.163 3.619 1.00 0.00 C ATOM 966 ND1 HIS A 54 -7.701 -15.003 4.588 1.00 0.00 N ATOM 967 CD2 HIS A 54 -9.339 -14.723 3.182 1.00 0.00 C ATOM 968 CE1 HIS A 54 -8.518 -16.026 4.735 1.00 0.00 C ATOM 969 NE2 HIS A 54 -9.524 -15.885 3.893 1.00 0.00 N ATOM 0 H HIS A 54 -6.553 -10.531 3.028 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.206 -11.777 2.671 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -7.125 -13.038 2.174 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -6.588 -12.790 3.824 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -6.839 -14.858 5.114 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.992 -14.330 2.416 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -8.386 -16.843 5.429 1.00 0.00 H new ATOM 978 N SER A 55 -8.211 -10.263 5.278 1.00 0.00 N ATOM 979 CA SER A 55 -8.668 -9.693 6.555 1.00 0.00 C ATOM 980 C SER A 55 -8.258 -10.520 7.781 1.00 0.00 C ATOM 981 O SER A 55 -8.358 -10.040 8.911 1.00 0.00 O ATOM 982 CB SER A 55 -10.190 -9.496 6.542 1.00 0.00 C ATOM 983 OG SER A 55 -10.590 -8.688 5.445 1.00 0.00 O ATOM 0 H SER A 55 -7.433 -9.753 4.859 1.00 0.00 H new ATOM 0 HA SER A 55 -8.168 -8.729 6.649 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.685 -10.465 6.484 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.508 -9.031 7.475 1.00 0.00 H new ATOM 0 HG SER A 55 -11.564 -8.578 5.457 1.00 0.00 H new ATOM 989 N ALA A 56 -7.793 -11.743 7.574 1.00 0.00 N ATOM 990 CA ALA A 56 -7.445 -12.616 8.693 1.00 0.00 C ATOM 991 C ALA A 56 -5.938 -12.823 8.796 1.00 0.00 C ATOM 992 O ALA A 56 -5.408 -13.083 9.876 1.00 0.00 O ATOM 993 CB ALA A 56 -8.152 -13.956 8.545 1.00 0.00 C ATOM 0 H ALA A 56 -7.648 -12.154 6.652 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.775 -12.132 9.612 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.888 -14.601 9.383 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.231 -13.799 8.534 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.845 -14.428 7.612 1.00 0.00 H new ATOM 999 N ASP A 57 -5.260 -12.697 7.664 1.00 0.00 N ATOM 1000 CA ASP A 57 -3.831 -12.980 7.572 1.00 0.00 C ATOM 1001 C ASP A 57 -3.000 -11.924 8.289 1.00 0.00 C ATOM 1002 O ASP A 57 -3.363 -10.746 8.333 1.00 0.00 O ATOM 1003 CB ASP A 57 -3.408 -13.064 6.101 1.00 0.00 C ATOM 1004 CG ASP A 57 -4.171 -14.132 5.342 1.00 0.00 C ATOM 1005 OD1 ASP A 57 -5.413 -14.028 5.252 1.00 0.00 O ATOM 1006 OD2 ASP A 57 -3.542 -15.085 4.838 1.00 0.00 O ATOM 0 H ASP A 57 -5.682 -12.397 6.785 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.650 -13.937 8.062 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.569 -12.097 5.623 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.340 -13.274 6.044 1.00 0.00 H new ATOM 1011 N ASN A 58 -1.890 -12.366 8.861 1.00 0.00 N ATOM 1012 CA ASN A 58 -0.963 -11.477 9.545 1.00 0.00 C ATOM 1013 C ASN A 58 -0.138 -10.707 8.521 1.00 0.00 C ATOM 1014 O ASN A 58 0.612 -11.307 7.753 1.00 0.00 O ATOM 1015 CB ASN A 58 -0.031 -12.277 10.465 1.00 0.00 C ATOM 1016 CG ASN A 58 -0.786 -13.121 11.477 1.00 0.00 C ATOM 1017 OD1 ASN A 58 -1.118 -14.276 11.216 1.00 0.00 O ATOM 1018 ND2 ASN A 58 -1.052 -12.554 12.643 1.00 0.00 N ATOM 0 H ASN A 58 -1.607 -13.346 8.864 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.535 -10.776 10.152 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.602 -12.925 9.859 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.629 -11.589 10.993 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.549 -13.078 13.363 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.760 -11.593 12.821 1.00 0.00 H new ATOM 1025 N THR A 59 -0.277 -9.378 8.530 1.00 0.00 N ATOM 1026 CA THR A 59 0.354 -8.495 7.538 1.00 0.00 C ATOM 1027 C THR A 59 0.007 -8.950 6.117 1.00 0.00 C ATOM 1028 O THR A 59 -1.139 -9.301 5.848 1.00 0.00 O ATOM 1029 CB THR A 59 1.898 -8.387 7.711 1.00 0.00 C ATOM 1030 OG1 THR A 59 2.546 -9.650 7.521 1.00 0.00 O ATOM 1031 CG2 THR A 59 2.254 -7.847 9.083 1.00 0.00 C ATOM 0 H THR A 59 -0.832 -8.880 9.227 1.00 0.00 H new ATOM 0 HA THR A 59 -0.050 -7.497 7.709 1.00 0.00 H new ATOM 0 HB THR A 59 2.251 -7.697 6.945 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.873 -10.362 7.496 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.338 -7.781 9.178 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.818 -6.856 9.208 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.862 -8.515 9.850 1.00 0.00 H new ATOM 1039 N ARG A 60 1.012 -8.953 5.244 1.00 0.00 N ATOM 1040 CA ARG A 60 0.904 -9.455 3.877 1.00 0.00 C ATOM 1041 C ARG A 60 -0.309 -8.933 3.093 1.00 0.00 C ATOM 1042 O ARG A 60 -1.404 -9.493 3.164 1.00 0.00 O ATOM 1043 CB ARG A 60 0.877 -10.963 3.959 1.00 0.00 C ATOM 1044 CG ARG A 60 2.017 -11.511 4.795 1.00 0.00 C ATOM 1045 CD ARG A 60 1.718 -12.915 5.254 1.00 0.00 C ATOM 1046 NE ARG A 60 2.914 -13.629 5.698 1.00 0.00 N ATOM 1047 CZ ARG A 60 2.894 -14.852 6.223 1.00 0.00 C ATOM 1048 NH1 ARG A 60 1.738 -15.482 6.401 1.00 0.00 N ATOM 1049 NH2 ARG A 60 4.029 -15.442 6.565 1.00 0.00 N ATOM 0 H ARG A 60 1.941 -8.600 5.472 1.00 0.00 H new ATOM 0 HA ARG A 60 1.763 -9.087 3.315 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.072 -11.285 4.387 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.932 -11.381 2.954 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.938 -11.503 4.212 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.181 -10.868 5.660 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.996 -12.880 6.070 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.251 -13.468 4.439 1.00 0.00 H new ATOM 0 HE ARG A 60 3.816 -13.163 5.600 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.864 -15.029 6.135 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.725 -16.419 6.803 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.917 -14.959 6.426 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.016 -16.379 6.967 1.00 0.00 H new ATOM 1063 N MET A 61 -0.094 -7.876 2.313 1.00 0.00 N ATOM 1064 CA MET A 61 -1.123 -7.366 1.413 1.00 0.00 C ATOM 1065 C MET A 61 -0.518 -7.097 0.035 1.00 0.00 C ATOM 1066 O MET A 61 0.614 -6.623 -0.076 1.00 0.00 O ATOM 1067 CB MET A 61 -1.759 -6.083 1.971 1.00 0.00 C ATOM 1068 CG MET A 61 -2.129 -6.175 3.441 1.00 0.00 C ATOM 1069 SD MET A 61 -0.834 -5.554 4.536 1.00 0.00 S ATOM 1070 CE MET A 61 -1.043 -3.794 4.291 1.00 0.00 C ATOM 0 H MET A 61 0.784 -7.357 2.287 1.00 0.00 H new ATOM 0 HA MET A 61 -1.906 -8.119 1.324 1.00 0.00 H new ATOM 0 HB2 MET A 61 -1.066 -5.254 1.831 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.654 -5.851 1.394 1.00 0.00 H new ATOM 0 HG2 MET A 61 -3.045 -5.611 3.615 1.00 0.00 H new ATOM 0 HG3 MET A 61 -2.342 -7.214 3.692 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.532 -3.253 5.087 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.620 -3.508 3.328 1.00 0.00 H new ATOM 0 HE3 MET A 61 -2.105 -3.548 4.309 1.00 0.00 H new ATOM 1080 N GLU A 62 -1.265 -7.411 -1.013 1.00 0.00 N ATOM 1081 CA GLU A 62 -0.766 -7.268 -2.375 1.00 0.00 C ATOM 1082 C GLU A 62 -1.532 -6.186 -3.130 1.00 0.00 C ATOM 1083 O GLU A 62 -2.748 -6.066 -2.990 1.00 0.00 O ATOM 1084 CB GLU A 62 -0.872 -8.613 -3.108 1.00 0.00 C ATOM 1085 CG GLU A 62 -0.680 -8.520 -4.617 1.00 0.00 C ATOM 1086 CD GLU A 62 -0.596 -9.880 -5.274 1.00 0.00 C ATOM 1087 OE1 GLU A 62 -1.587 -10.638 -5.217 1.00 0.00 O ATOM 1088 OE2 GLU A 62 0.464 -10.202 -5.852 1.00 0.00 O ATOM 0 H GLU A 62 -2.219 -7.767 -0.948 1.00 0.00 H new ATOM 0 HA GLU A 62 0.280 -6.965 -2.332 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.127 -9.296 -2.700 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.850 -9.049 -2.904 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.508 -7.960 -5.052 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.230 -7.960 -4.831 1.00 0.00 H new ATOM 1095 N LEU A 63 -0.810 -5.391 -3.909 1.00 0.00 N ATOM 1096 CA LEU A 63 -1.426 -4.385 -4.760 1.00 0.00 C ATOM 1097 C LEU A 63 -1.310 -4.805 -6.220 1.00 0.00 C ATOM 1098 O LEU A 63 -0.210 -5.012 -6.741 1.00 0.00 O ATOM 1099 CB LEU A 63 -0.758 -3.017 -4.553 1.00 0.00 C ATOM 1100 CG LEU A 63 -1.383 -2.123 -3.478 1.00 0.00 C ATOM 1101 CD1 LEU A 63 -2.745 -1.613 -3.926 1.00 0.00 C ATOM 1102 CD2 LEU A 63 -1.501 -2.876 -2.165 1.00 0.00 C ATOM 0 H LEU A 63 0.208 -5.425 -3.968 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.479 -4.298 -4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.289 -3.181 -4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.775 -2.479 -5.501 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.731 -1.263 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.171 -0.980 -3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.633 -1.034 -4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.408 -2.459 -4.109 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.947 -2.226 -1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.130 -3.755 -2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.510 -3.188 -1.834 1.00 0.00 H new ATOM 1114 N ILE A 64 -2.448 -4.930 -6.872 1.00 0.00 N ATOM 1115 CA ILE A 64 -2.495 -5.298 -8.275 1.00 0.00 C ATOM 1116 C ILE A 64 -3.240 -4.235 -9.080 1.00 0.00 C ATOM 1117 O ILE A 64 -4.422 -3.982 -8.866 1.00 0.00 O ATOM 1118 CB ILE A 64 -3.124 -6.710 -8.461 1.00 0.00 C ATOM 1119 CG1 ILE A 64 -3.741 -6.892 -9.855 1.00 0.00 C ATOM 1120 CG2 ILE A 64 -4.159 -6.996 -7.389 1.00 0.00 C ATOM 1121 CD1 ILE A 64 -2.739 -6.881 -10.987 1.00 0.00 C ATOM 0 H ILE A 64 -3.363 -4.780 -6.448 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.475 -5.349 -8.655 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.310 -7.428 -8.363 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.286 -7.836 -9.877 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.470 -6.099 -10.023 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.580 -7.989 -7.546 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.688 -6.953 -6.407 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.954 -6.252 -7.443 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.260 -7.015 -11.935 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.210 -5.928 -10.995 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.024 -7.692 -10.848 1.00 0.00 H new ATOM 1133 N ILE A 65 -2.517 -3.606 -9.992 1.00 0.00 N ATOM 1134 CA ILE A 65 -3.051 -2.555 -10.837 1.00 0.00 C ATOM 1135 C ILE A 65 -2.792 -2.913 -12.299 1.00 0.00 C ATOM 1136 O ILE A 65 -1.643 -3.083 -12.705 1.00 0.00 O ATOM 1137 CB ILE A 65 -2.408 -1.185 -10.463 1.00 0.00 C ATOM 1138 CG1 ILE A 65 -2.369 -0.201 -11.640 1.00 0.00 C ATOM 1139 CG2 ILE A 65 -1.006 -1.388 -9.909 1.00 0.00 C ATOM 1140 CD1 ILE A 65 -3.715 0.137 -12.235 1.00 0.00 C ATOM 0 H ILE A 65 -1.534 -3.814 -10.167 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.126 -2.464 -10.684 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.045 -0.743 -9.697 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.894 0.722 -11.307 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.737 -0.620 -12.423 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.572 -0.421 -9.653 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.054 -2.012 -9.016 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.385 -1.877 -10.660 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.583 0.838 -13.059 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.188 -0.773 -12.605 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.347 0.590 -11.471 1.00 0.00 H new ATOM 1152 N PRO A 66 -3.864 -3.059 -13.096 1.00 0.00 N ATOM 1153 CA PRO A 66 -3.764 -3.456 -14.506 1.00 0.00 C ATOM 1154 C PRO A 66 -2.830 -2.550 -15.308 1.00 0.00 C ATOM 1155 O PRO A 66 -3.013 -1.331 -15.360 1.00 0.00 O ATOM 1156 CB PRO A 66 -5.205 -3.334 -15.014 1.00 0.00 C ATOM 1157 CG PRO A 66 -6.047 -3.484 -13.796 1.00 0.00 C ATOM 1158 CD PRO A 66 -5.266 -2.833 -12.691 1.00 0.00 C ATOM 0 HA PRO A 66 -3.343 -4.455 -14.616 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -5.375 -2.372 -15.497 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.432 -4.105 -15.750 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -7.017 -3.005 -13.927 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.238 -4.535 -13.577 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.495 -1.771 -12.607 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.484 -3.284 -11.723 1.00 0.00 H new ATOM 1166 N GLY A 67 -1.823 -3.156 -15.918 1.00 0.00 N ATOM 1167 CA GLY A 67 -0.869 -2.414 -16.712 1.00 0.00 C ATOM 1168 C GLY A 67 0.505 -2.386 -16.076 1.00 0.00 C ATOM 1169 O GLY A 67 1.501 -2.695 -16.725 1.00 0.00 O ATOM 0 H GLY A 67 -1.649 -4.160 -15.875 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.799 -2.860 -17.704 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.226 -1.393 -16.846 1.00 0.00 H new ATOM 1173 N GLU A 68 0.556 -2.023 -14.800 1.00 0.00 N ATOM 1174 CA GLU A 68 1.826 -1.914 -14.091 1.00 0.00 C ATOM 1175 C GLU A 68 1.991 -3.059 -13.092 1.00 0.00 C ATOM 1176 O GLU A 68 2.872 -3.905 -13.258 1.00 0.00 O ATOM 1177 CB GLU A 68 1.911 -0.559 -13.379 1.00 0.00 C ATOM 1178 CG GLU A 68 1.628 0.621 -14.302 1.00 0.00 C ATOM 1179 CD GLU A 68 2.008 1.962 -13.700 1.00 0.00 C ATOM 1180 OE1 GLU A 68 3.220 2.252 -13.598 1.00 0.00 O ATOM 1181 OE2 GLU A 68 1.099 2.737 -13.337 1.00 0.00 O ATOM 0 H GLU A 68 -0.264 -1.800 -14.236 1.00 0.00 H new ATOM 0 HA GLU A 68 2.637 -1.983 -14.816 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.201 -0.545 -12.553 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.905 -0.444 -12.947 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.174 0.482 -15.235 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.567 0.631 -14.552 1.00 0.00 H new ATOM 1188 N GLN A 69 1.126 -3.070 -12.071 1.00 0.00 N ATOM 1189 CA GLN A 69 1.076 -4.121 -11.036 1.00 0.00 C ATOM 1190 C GLN A 69 2.457 -4.476 -10.459 1.00 0.00 C ATOM 1191 O GLN A 69 3.410 -3.705 -10.574 1.00 0.00 O ATOM 1192 CB GLN A 69 0.357 -5.382 -11.559 1.00 0.00 C ATOM 1193 CG GLN A 69 1.040 -6.086 -12.726 1.00 0.00 C ATOM 1194 CD GLN A 69 0.391 -7.410 -13.081 1.00 0.00 C ATOM 1195 OE1 GLN A 69 -0.147 -8.105 -12.220 1.00 0.00 O ATOM 1196 NE2 GLN A 69 0.434 -7.765 -14.354 1.00 0.00 N ATOM 0 H GLN A 69 0.428 -2.339 -11.934 1.00 0.00 H new ATOM 0 HA GLN A 69 0.498 -3.704 -10.211 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.258 -6.091 -10.737 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.652 -5.104 -11.864 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.021 -5.433 -13.598 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.088 -6.256 -12.478 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.890 -7.160 -15.037 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.011 -8.644 -14.653 1.00 0.00 H new ATOM 1205 N HIS A 70 2.523 -5.634 -9.792 1.00 0.00 N ATOM 1206 CA HIS A 70 3.760 -6.137 -9.188 1.00 0.00 C ATOM 1207 C HIS A 70 4.178 -5.264 -8.002 1.00 0.00 C ATOM 1208 O HIS A 70 5.309 -4.778 -7.933 1.00 0.00 O ATOM 1209 CB HIS A 70 4.883 -6.211 -10.235 1.00 0.00 C ATOM 1210 CG HIS A 70 6.070 -7.017 -9.814 1.00 0.00 C ATOM 1211 ND1 HIS A 70 7.161 -6.475 -9.177 1.00 0.00 N ATOM 1212 CD2 HIS A 70 6.347 -8.328 -9.981 1.00 0.00 C ATOM 1213 CE1 HIS A 70 8.060 -7.416 -8.971 1.00 0.00 C ATOM 1214 NE2 HIS A 70 7.593 -8.554 -9.450 1.00 0.00 N ATOM 0 H HIS A 70 1.720 -6.248 -9.656 1.00 0.00 H new ATOM 0 HA HIS A 70 3.574 -7.145 -8.817 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.479 -6.636 -11.154 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.212 -5.198 -10.469 1.00 0.00 H new ATOM 0 HD1 HIS A 70 7.259 -5.497 -8.906 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.707 -9.063 -10.446 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.018 -7.279 -8.491 1.00 0.00 H new ATOM 1223 N PHE A 71 3.252 -5.064 -7.072 1.00 0.00 N ATOM 1224 CA PHE A 71 3.530 -4.293 -5.868 1.00 0.00 C ATOM 1225 C PHE A 71 3.181 -5.099 -4.624 1.00 0.00 C ATOM 1226 O PHE A 71 2.015 -5.402 -4.374 1.00 0.00 O ATOM 1227 CB PHE A 71 2.753 -2.972 -5.868 1.00 0.00 C ATOM 1228 CG PHE A 71 3.231 -1.982 -6.894 1.00 0.00 C ATOM 1229 CD1 PHE A 71 4.438 -1.320 -6.723 1.00 0.00 C ATOM 1230 CD2 PHE A 71 2.480 -1.713 -8.026 1.00 0.00 C ATOM 1231 CE1 PHE A 71 4.885 -0.407 -7.659 1.00 0.00 C ATOM 1232 CE2 PHE A 71 2.922 -0.799 -8.966 1.00 0.00 C ATOM 1233 CZ PHE A 71 4.126 -0.148 -8.783 1.00 0.00 C ATOM 0 H PHE A 71 2.300 -5.426 -7.129 1.00 0.00 H new ATOM 0 HA PHE A 71 4.596 -4.067 -5.857 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.698 -3.183 -6.045 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.826 -2.519 -4.879 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.036 -1.521 -5.847 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.539 -2.222 -8.177 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.826 0.103 -7.512 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.325 -0.595 -9.843 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.474 0.563 -9.518 1.00 0.00 H new ATOM 1243 N TYR A 72 4.200 -5.458 -3.859 1.00 0.00 N ATOM 1244 CA TYR A 72 4.002 -6.172 -2.607 1.00 0.00 C ATOM 1245 C TYR A 72 4.187 -5.219 -1.439 1.00 0.00 C ATOM 1246 O TYR A 72 5.122 -4.418 -1.429 1.00 0.00 O ATOM 1247 CB TYR A 72 4.989 -7.339 -2.489 1.00 0.00 C ATOM 1248 CG TYR A 72 4.814 -8.166 -1.228 1.00 0.00 C ATOM 1249 CD1 TYR A 72 3.778 -9.086 -1.110 1.00 0.00 C ATOM 1250 CD2 TYR A 72 5.684 -8.020 -0.155 1.00 0.00 C ATOM 1251 CE1 TYR A 72 3.620 -9.839 0.041 1.00 0.00 C ATOM 1252 CE2 TYR A 72 5.533 -8.769 0.996 1.00 0.00 C ATOM 1253 CZ TYR A 72 4.500 -9.674 1.092 1.00 0.00 C ATOM 1254 OH TYR A 72 4.347 -10.419 2.240 1.00 0.00 O ATOM 0 H TYR A 72 5.176 -5.266 -4.084 1.00 0.00 H new ATOM 0 HA TYR A 72 2.989 -6.573 -2.591 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.874 -7.989 -3.357 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.006 -6.947 -2.517 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.086 -9.215 -1.929 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.493 -7.308 -0.222 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.812 -10.552 0.116 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.223 -8.645 1.818 1.00 0.00 H new ATOM 0 HH TYR A 72 5.050 -10.182 2.880 1.00 0.00 H new ATOM 1264 N MET A 73 3.289 -5.297 -0.472 1.00 0.00 N ATOM 1265 CA MET A 73 3.375 -4.465 0.717 1.00 0.00 C ATOM 1266 C MET A 73 3.224 -5.328 1.965 1.00 0.00 C ATOM 1267 O MET A 73 2.388 -6.229 2.017 1.00 0.00 O ATOM 1268 CB MET A 73 2.298 -3.362 0.688 1.00 0.00 C ATOM 1269 CG MET A 73 2.528 -2.311 -0.393 1.00 0.00 C ATOM 1270 SD MET A 73 1.092 -1.253 -0.705 1.00 0.00 S ATOM 1271 CE MET A 73 1.046 -0.222 0.760 1.00 0.00 C ATOM 0 H MET A 73 2.489 -5.930 -0.487 1.00 0.00 H new ATOM 0 HA MET A 73 4.352 -3.983 0.738 1.00 0.00 H new ATOM 0 HB2 MET A 73 1.322 -3.823 0.533 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.267 -2.870 1.660 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.372 -1.685 -0.104 1.00 0.00 H new ATOM 0 HG3 MET A 73 2.806 -2.812 -1.320 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.352 0.604 0.602 1.00 0.00 H new ATOM 0 HE2 MET A 73 0.716 -0.816 1.612 1.00 0.00 H new ATOM 0 HE3 MET A 73 2.042 0.174 0.958 1.00 0.00 H new ATOM 1281 N LYS A 74 4.047 -5.063 2.963 1.00 0.00 N ATOM 1282 CA LYS A 74 3.958 -5.772 4.228 1.00 0.00 C ATOM 1283 C LYS A 74 4.142 -4.795 5.372 1.00 0.00 C ATOM 1284 O LYS A 74 5.156 -4.099 5.443 1.00 0.00 O ATOM 1285 CB LYS A 74 5.012 -6.879 4.311 1.00 0.00 C ATOM 1286 CG LYS A 74 4.948 -7.690 5.597 1.00 0.00 C ATOM 1287 CD LYS A 74 6.112 -8.662 5.701 1.00 0.00 C ATOM 1288 CE LYS A 74 6.074 -9.454 7.001 1.00 0.00 C ATOM 1289 NZ LYS A 74 6.183 -8.581 8.202 1.00 0.00 N ATOM 0 H LYS A 74 4.786 -4.361 2.923 1.00 0.00 H new ATOM 0 HA LYS A 74 2.974 -6.235 4.298 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.888 -7.551 3.462 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.002 -6.433 4.222 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.957 -7.016 6.454 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.008 -8.241 5.635 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.088 -9.350 4.856 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.051 -8.112 5.638 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.144 -10.021 7.051 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.889 -10.178 7.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.357 -9.168 9.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.971 -7.914 8.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.297 -8.050 8.327 1.00 0.00 H new ATOM 1303 N ALA A 75 3.149 -4.729 6.240 1.00 0.00 N ATOM 1304 CA ALA A 75 3.180 -3.820 7.366 1.00 0.00 C ATOM 1305 C ALA A 75 4.128 -4.322 8.450 1.00 0.00 C ATOM 1306 O ALA A 75 4.586 -5.468 8.394 1.00 0.00 O ATOM 1307 CB ALA A 75 1.776 -3.638 7.917 1.00 0.00 C ATOM 0 H ALA A 75 2.306 -5.300 6.184 1.00 0.00 H new ATOM 0 HA ALA A 75 3.554 -2.854 7.025 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.804 -2.953 8.764 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.131 -3.228 7.140 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.385 -4.602 8.242 1.00 0.00 H new ATOM 1313 N VAL A 76 4.406 -3.466 9.430 1.00 0.00 N ATOM 1314 CA VAL A 76 5.330 -3.793 10.515 1.00 0.00 C ATOM 1315 C VAL A 76 4.918 -5.084 11.213 1.00 0.00 C ATOM 1316 O VAL A 76 5.699 -6.032 11.314 1.00 0.00 O ATOM 1317 CB VAL A 76 5.394 -2.656 11.561 1.00 0.00 C ATOM 1318 CG1 VAL A 76 6.278 -3.047 12.734 1.00 0.00 C ATOM 1319 CG2 VAL A 76 5.885 -1.365 10.924 1.00 0.00 C ATOM 0 H VAL A 76 4.001 -2.532 9.496 1.00 0.00 H new ATOM 0 HA VAL A 76 6.315 -3.921 10.066 1.00 0.00 H new ATOM 0 HB VAL A 76 4.386 -2.488 11.939 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.307 -2.231 13.456 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.875 -3.940 13.212 1.00 0.00 H new ATOM 0 HG13 VAL A 76 7.287 -3.251 12.377 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.922 -0.579 11.678 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.882 -1.519 10.511 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.203 -1.071 10.126 1.00 0.00 H new ATOM 1329 N ASN A 77 3.682 -5.117 11.674 1.00 0.00 N ATOM 1330 CA ASN A 77 3.163 -6.281 12.366 1.00 0.00 C ATOM 1331 C ASN A 77 1.705 -6.498 12.003 1.00 0.00 C ATOM 1332 O ASN A 77 1.097 -5.634 11.366 1.00 0.00 O ATOM 1333 CB ASN A 77 3.352 -6.145 13.881 1.00 0.00 C ATOM 1334 CG ASN A 77 2.888 -4.812 14.427 1.00 0.00 C ATOM 1335 OD1 ASN A 77 3.637 -3.838 14.438 1.00 0.00 O ATOM 1336 ND2 ASN A 77 1.669 -4.764 14.922 1.00 0.00 N ATOM 0 H ASN A 77 3.017 -4.349 11.581 1.00 0.00 H new ATOM 0 HA ASN A 77 3.725 -7.159 12.047 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.805 -6.944 14.381 1.00 0.00 H new ATOM 0 HB3 ASN A 77 4.406 -6.281 14.122 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.319 -3.898 15.332 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.075 -5.593 14.896 1.00 0.00 H new ATOM 1343 N ALA A 78 1.155 -7.652 12.367 1.00 0.00 N ATOM 1344 CA ALA A 78 -0.199 -8.027 11.963 1.00 0.00 C ATOM 1345 C ALA A 78 -1.214 -6.918 12.272 1.00 0.00 C ATOM 1346 O ALA A 78 -2.111 -6.646 11.471 1.00 0.00 O ATOM 1347 CB ALA A 78 -0.609 -9.314 12.656 1.00 0.00 C ATOM 0 H ALA A 78 1.628 -8.348 12.944 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.193 -8.179 10.884 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.619 -9.586 12.350 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.081 -10.111 12.381 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.584 -9.170 13.736 1.00 0.00 H new ATOM 1353 N ALA A 79 -1.068 -6.292 13.438 1.00 0.00 N ATOM 1354 CA ALA A 79 -1.926 -5.183 13.844 1.00 0.00 C ATOM 1355 C ALA A 79 -1.791 -3.989 12.908 1.00 0.00 C ATOM 1356 O ALA A 79 -2.782 -3.390 12.502 1.00 0.00 O ATOM 1357 CB ALA A 79 -1.584 -4.771 15.257 1.00 0.00 C ATOM 0 H ALA A 79 -0.355 -6.538 14.124 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.960 -5.523 13.795 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.225 -3.943 15.560 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.739 -5.615 15.930 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.541 -4.458 15.302 1.00 0.00 H new ATOM 1363 N GLU A 80 -0.556 -3.657 12.560 1.00 0.00 N ATOM 1364 CA GLU A 80 -0.281 -2.542 11.662 1.00 0.00 C ATOM 1365 C GLU A 80 -0.874 -2.796 10.283 1.00 0.00 C ATOM 1366 O GLU A 80 -1.279 -1.871 9.577 1.00 0.00 O ATOM 1367 CB GLU A 80 1.219 -2.303 11.574 1.00 0.00 C ATOM 1368 CG GLU A 80 1.768 -1.650 12.822 1.00 0.00 C ATOM 1369 CD GLU A 80 1.048 -0.360 13.149 1.00 0.00 C ATOM 1370 OE1 GLU A 80 1.190 0.615 12.384 1.00 0.00 O ATOM 1371 OE2 GLU A 80 0.312 -0.328 14.156 1.00 0.00 O ATOM 0 H GLU A 80 0.277 -4.147 12.888 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.753 -1.646 12.064 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.727 -3.253 11.410 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.435 -1.673 10.711 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.677 -2.339 13.662 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.831 -1.448 12.688 1.00 0.00 H new ATOM 1378 N ARG A 81 -0.927 -4.066 9.918 1.00 0.00 N ATOM 1379 CA ARG A 81 -1.601 -4.499 8.703 1.00 0.00 C ATOM 1380 C ARG A 81 -3.054 -4.044 8.722 1.00 0.00 C ATOM 1381 O ARG A 81 -3.598 -3.632 7.703 1.00 0.00 O ATOM 1382 CB ARG A 81 -1.504 -6.028 8.610 1.00 0.00 C ATOM 1383 CG ARG A 81 -2.370 -6.690 7.540 1.00 0.00 C ATOM 1384 CD ARG A 81 -3.786 -6.965 8.033 1.00 0.00 C ATOM 1385 NE ARG A 81 -3.815 -7.488 9.401 1.00 0.00 N ATOM 1386 CZ ARG A 81 -4.867 -8.104 9.945 1.00 0.00 C ATOM 1387 NH1 ARG A 81 -5.949 -8.357 9.217 1.00 0.00 N ATOM 1388 NH2 ARG A 81 -4.828 -8.478 11.217 1.00 0.00 N ATOM 0 H ARG A 81 -0.506 -4.825 10.453 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.125 -4.055 7.829 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.464 -6.296 8.424 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.773 -6.449 9.579 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.412 -6.048 6.660 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.907 -7.627 7.229 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.368 -6.044 7.988 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.267 -7.679 7.365 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.979 -7.374 9.974 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.980 -8.080 8.236 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.749 -8.828 9.639 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.996 -8.295 11.777 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.631 -8.949 11.635 1.00 0.00 H new ATOM 1402 N GLN A 82 -3.663 -4.101 9.899 1.00 0.00 N ATOM 1403 CA GLN A 82 -5.069 -3.767 10.057 1.00 0.00 C ATOM 1404 C GLN A 82 -5.295 -2.277 9.815 1.00 0.00 C ATOM 1405 O GLN A 82 -6.323 -1.886 9.269 1.00 0.00 O ATOM 1406 CB GLN A 82 -5.554 -4.164 11.455 1.00 0.00 C ATOM 1407 CG GLN A 82 -7.057 -4.033 11.654 1.00 0.00 C ATOM 1408 CD GLN A 82 -7.846 -4.887 10.681 1.00 0.00 C ATOM 1409 OE1 GLN A 82 -8.113 -6.061 10.940 1.00 0.00 O ATOM 1410 NE2 GLN A 82 -8.236 -4.299 9.561 1.00 0.00 N ATOM 0 H GLN A 82 -3.199 -4.378 10.764 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.644 -4.325 9.318 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.262 -5.196 11.649 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.046 -3.544 12.193 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.312 -4.320 12.674 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -7.347 -2.989 11.535 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.993 -3.324 9.386 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.779 -4.821 8.873 1.00 0.00 H new ATOM 1419 N ARG A 83 -4.321 -1.456 10.201 1.00 0.00 N ATOM 1420 CA ARG A 83 -4.407 -0.012 9.981 1.00 0.00 C ATOM 1421 C ARG A 83 -4.416 0.299 8.485 1.00 0.00 C ATOM 1422 O ARG A 83 -5.235 1.087 8.003 1.00 0.00 O ATOM 1423 CB ARG A 83 -3.229 0.707 10.643 1.00 0.00 C ATOM 1424 CG ARG A 83 -3.233 0.656 12.163 1.00 0.00 C ATOM 1425 CD ARG A 83 -2.057 1.430 12.742 1.00 0.00 C ATOM 1426 NE ARG A 83 -2.116 2.855 12.407 1.00 0.00 N ATOM 1427 CZ ARG A 83 -1.073 3.563 11.965 1.00 0.00 C ATOM 1428 NH1 ARG A 83 0.130 2.998 11.864 1.00 0.00 N ATOM 1429 NH2 ARG A 83 -1.228 4.844 11.635 1.00 0.00 N ATOM 0 H ARG A 83 -3.466 -1.763 10.666 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.336 0.342 10.428 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.300 0.267 10.280 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.232 1.750 10.327 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.167 1.072 12.541 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.188 -0.381 12.495 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.045 1.313 13.826 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.125 1.008 12.366 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.008 3.336 12.518 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.258 2.020 12.125 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.923 3.543 11.526 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.144 5.285 11.720 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.431 5.384 11.298 1.00 0.00 H new ATOM 1443 N TRP A 84 -3.523 -0.352 7.748 1.00 0.00 N ATOM 1444 CA TRP A 84 -3.486 -0.207 6.299 1.00 0.00 C ATOM 1445 C TRP A 84 -4.740 -0.799 5.682 1.00 0.00 C ATOM 1446 O TRP A 84 -5.274 -0.274 4.716 1.00 0.00 O ATOM 1447 CB TRP A 84 -2.239 -0.868 5.707 1.00 0.00 C ATOM 1448 CG TRP A 84 -0.998 -0.069 5.950 1.00 0.00 C ATOM 1449 CD1 TRP A 84 -0.019 -0.327 6.860 1.00 0.00 C ATOM 1450 CD2 TRP A 84 -0.611 1.132 5.271 1.00 0.00 C ATOM 1451 NE1 TRP A 84 0.942 0.656 6.810 1.00 0.00 N ATOM 1452 CE2 TRP A 84 0.604 1.559 5.836 1.00 0.00 C ATOM 1453 CE3 TRP A 84 -1.177 1.889 4.243 1.00 0.00 C ATOM 1454 CZ2 TRP A 84 1.259 2.713 5.412 1.00 0.00 C ATOM 1455 CZ3 TRP A 84 -0.522 3.029 3.817 1.00 0.00 C ATOM 1456 CH2 TRP A 84 0.685 3.431 4.401 1.00 0.00 C ATOM 0 H TRP A 84 -2.818 -0.983 8.129 1.00 0.00 H new ATOM 0 HA TRP A 84 -3.443 0.857 6.066 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -2.118 -1.861 6.139 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -2.377 -1.002 4.634 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.000 -1.179 7.524 1.00 0.00 H new ATOM 0 HE1 TRP A 84 1.771 0.705 7.402 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -2.110 1.589 3.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 2.187 3.029 5.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.949 3.620 3.020 1.00 0.00 H new ATOM 0 HH2 TRP A 84 1.172 4.327 4.045 1.00 0.00 H new ATOM 1467 N LEU A 85 -5.210 -1.887 6.269 1.00 0.00 N ATOM 1468 CA LEU A 85 -6.427 -2.543 5.822 1.00 0.00 C ATOM 1469 C LEU A 85 -7.641 -1.638 5.967 1.00 0.00 C ATOM 1470 O LEU A 85 -8.588 -1.748 5.202 1.00 0.00 O ATOM 1471 CB LEU A 85 -6.647 -3.846 6.575 1.00 0.00 C ATOM 1472 CG LEU A 85 -6.374 -5.101 5.758 1.00 0.00 C ATOM 1473 CD1 LEU A 85 -4.942 -5.111 5.244 1.00 0.00 C ATOM 1474 CD2 LEU A 85 -6.659 -6.328 6.597 1.00 0.00 C ATOM 0 H LEU A 85 -4.761 -2.339 7.066 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.303 -2.767 4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.005 -3.855 7.456 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.677 -3.876 6.931 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.034 -5.109 4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.770 -6.017 4.663 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.776 -4.238 4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.252 -5.085 6.088 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.463 -7.225 6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.017 -6.324 7.478 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.703 -6.321 6.909 1.00 0.00 H new ATOM 1486 N VAL A 86 -7.636 -0.781 6.970 1.00 0.00 N ATOM 1487 CA VAL A 86 -8.717 0.172 7.140 1.00 0.00 C ATOM 1488 C VAL A 86 -8.765 1.151 5.965 1.00 0.00 C ATOM 1489 O VAL A 86 -9.812 1.336 5.344 1.00 0.00 O ATOM 1490 CB VAL A 86 -8.552 0.957 8.455 1.00 0.00 C ATOM 1491 CG1 VAL A 86 -9.540 2.109 8.532 1.00 0.00 C ATOM 1492 CG2 VAL A 86 -8.718 0.038 9.654 1.00 0.00 C ATOM 0 H VAL A 86 -6.901 -0.724 7.675 1.00 0.00 H new ATOM 0 HA VAL A 86 -9.651 -0.389 7.176 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.544 1.371 8.471 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.401 2.646 9.471 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.372 2.789 7.697 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -10.557 1.720 8.484 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.598 0.613 10.572 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.711 -0.410 9.634 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.964 -0.748 9.617 1.00 0.00 H new ATOM 1502 N ALA A 87 -7.627 1.761 5.651 1.00 0.00 N ATOM 1503 CA ALA A 87 -7.568 2.743 4.571 1.00 0.00 C ATOM 1504 C ALA A 87 -7.659 2.083 3.192 1.00 0.00 C ATOM 1505 O ALA A 87 -8.447 2.497 2.348 1.00 0.00 O ATOM 1506 CB ALA A 87 -6.288 3.556 4.683 1.00 0.00 C ATOM 0 H ALA A 87 -6.739 1.596 6.124 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.430 3.403 4.673 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.249 4.287 3.875 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.269 4.074 5.642 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.427 2.891 4.612 1.00 0.00 H new ATOM 1512 N LEU A 88 -6.843 1.061 2.978 1.00 0.00 N ATOM 1513 CA LEU A 88 -6.789 0.344 1.701 1.00 0.00 C ATOM 1514 C LEU A 88 -8.001 -0.566 1.505 1.00 0.00 C ATOM 1515 O LEU A 88 -8.608 -0.600 0.436 1.00 0.00 O ATOM 1516 CB LEU A 88 -5.497 -0.473 1.632 1.00 0.00 C ATOM 1517 CG LEU A 88 -4.207 0.349 1.728 1.00 0.00 C ATOM 1518 CD1 LEU A 88 -3.030 -0.548 2.076 1.00 0.00 C ATOM 1519 CD2 LEU A 88 -3.941 1.084 0.423 1.00 0.00 C ATOM 0 H LEU A 88 -6.198 0.701 3.681 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.806 1.081 0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.504 -1.206 2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.486 -1.030 0.695 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.330 1.087 2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.122 0.052 2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.213 -1.033 3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.910 -1.307 1.303 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.021 1.662 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.839 0.362 -0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.772 1.756 0.208 1.00 0.00 H new ATOM 1531 N GLY A 89 -8.352 -1.294 2.553 1.00 0.00 N ATOM 1532 CA GLY A 89 -9.398 -2.299 2.464 1.00 0.00 C ATOM 1533 C GLY A 89 -10.774 -1.708 2.244 1.00 0.00 C ATOM 1534 O GLY A 89 -11.636 -2.346 1.635 1.00 0.00 O ATOM 0 H GLY A 89 -7.927 -1.207 3.476 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.168 -2.982 1.647 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.405 -2.889 3.380 1.00 0.00 H new ATOM 1538 N SER A 90 -10.995 -0.500 2.747 1.00 0.00 N ATOM 1539 CA SER A 90 -12.263 0.181 2.540 1.00 0.00 C ATOM 1540 C SER A 90 -12.471 0.481 1.055 1.00 0.00 C ATOM 1541 O SER A 90 -13.604 0.579 0.582 1.00 0.00 O ATOM 1542 CB SER A 90 -12.310 1.461 3.373 1.00 0.00 C ATOM 1543 OG SER A 90 -11.169 2.267 3.139 1.00 0.00 O ATOM 0 H SER A 90 -10.316 0.025 3.298 1.00 0.00 H new ATOM 0 HA SER A 90 -13.074 -0.470 2.866 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.212 2.023 3.130 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.368 1.207 4.431 1.00 0.00 H new ATOM 0 HG SER A 90 -10.503 2.103 3.839 1.00 0.00 H new ATOM 1549 N SER A 91 -11.366 0.618 0.330 1.00 0.00 N ATOM 1550 CA SER A 91 -11.414 0.782 -1.110 1.00 0.00 C ATOM 1551 C SER A 91 -11.854 -0.528 -1.765 1.00 0.00 C ATOM 1552 O SER A 91 -12.770 -0.537 -2.578 1.00 0.00 O ATOM 1553 CB SER A 91 -10.044 1.219 -1.643 1.00 0.00 C ATOM 1554 OG SER A 91 -10.104 1.546 -3.020 1.00 0.00 O ATOM 0 H SER A 91 -10.424 0.618 0.722 1.00 0.00 H new ATOM 0 HA SER A 91 -12.138 1.558 -1.356 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.691 2.082 -1.078 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.320 0.419 -1.489 1.00 0.00 H new ATOM 0 HG SER A 91 -9.624 0.867 -3.539 1.00 0.00 H new ATOM 1560 N LYS A 92 -11.208 -1.634 -1.375 1.00 0.00 N ATOM 1561 CA LYS A 92 -11.504 -2.951 -1.922 1.00 0.00 C ATOM 1562 C LYS A 92 -12.975 -3.313 -1.767 1.00 0.00 C ATOM 1563 O LYS A 92 -13.563 -3.978 -2.626 1.00 0.00 O ATOM 1564 CB LYS A 92 -10.680 -3.998 -1.193 1.00 0.00 C ATOM 1565 CG LYS A 92 -10.404 -5.213 -2.036 1.00 0.00 C ATOM 1566 CD LYS A 92 -10.186 -6.462 -1.200 1.00 0.00 C ATOM 1567 CE LYS A 92 -11.449 -6.860 -0.454 1.00 0.00 C ATOM 1568 NZ LYS A 92 -11.316 -8.195 0.188 1.00 0.00 N ATOM 0 H LYS A 92 -10.468 -1.634 -0.673 1.00 0.00 H new ATOM 0 HA LYS A 92 -11.260 -2.926 -2.984 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.734 -3.556 -0.880 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -11.205 -4.301 -0.287 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -11.239 -5.376 -2.717 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -9.522 -5.032 -2.651 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.869 -7.282 -1.845 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -9.380 -6.288 -0.487 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -11.672 -6.112 0.307 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -12.291 -6.872 -1.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -12.057 -8.309 0.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -11.417 -8.938 -0.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -10.381 -8.273 0.637 1.00 0.00 H new ATOM 1582 N ALA A 93 -13.548 -2.903 -0.648 1.00 0.00 N ATOM 1583 CA ALA A 93 -14.934 -3.188 -0.349 1.00 0.00 C ATOM 1584 C ALA A 93 -15.859 -2.507 -1.355 1.00 0.00 C ATOM 1585 O ALA A 93 -16.088 -1.300 -1.283 1.00 0.00 O ATOM 1586 CB ALA A 93 -15.241 -2.764 1.076 1.00 0.00 C ATOM 0 H ALA A 93 -13.065 -2.366 0.073 1.00 0.00 H new ATOM 0 HA ALA A 93 -15.109 -4.261 -0.434 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.285 -2.978 1.302 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.600 -3.314 1.765 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.058 -1.695 1.185 1.00 0.00 H new ATOM 1592 N SER A 94 -16.378 -3.313 -2.287 1.00 0.00 N ATOM 1593 CA SER A 94 -17.207 -2.841 -3.400 1.00 0.00 C ATOM 1594 C SER A 94 -16.524 -1.705 -4.167 1.00 0.00 C ATOM 1595 O SER A 94 -17.031 -0.587 -4.246 1.00 0.00 O ATOM 1596 CB SER A 94 -18.624 -2.449 -2.934 1.00 0.00 C ATOM 1597 OG SER A 94 -18.612 -1.599 -1.797 1.00 0.00 O ATOM 0 H SER A 94 -16.232 -4.323 -2.289 1.00 0.00 H new ATOM 0 HA SER A 94 -17.322 -3.674 -4.093 1.00 0.00 H new ATOM 0 HB2 SER A 94 -19.145 -1.949 -3.751 1.00 0.00 H new ATOM 0 HB3 SER A 94 -19.188 -3.352 -2.701 1.00 0.00 H new ATOM 0 HG SER A 94 -17.743 -1.150 -1.733 1.00 0.00 H new ATOM 1603 N LEU A 95 -15.362 -2.018 -4.729 1.00 0.00 N ATOM 1604 CA LEU A 95 -14.607 -1.067 -5.531 1.00 0.00 C ATOM 1605 C LEU A 95 -15.084 -1.112 -6.983 1.00 0.00 C ATOM 1606 O LEU A 95 -15.758 -2.060 -7.395 1.00 0.00 O ATOM 1607 CB LEU A 95 -13.112 -1.393 -5.437 1.00 0.00 C ATOM 1608 CG LEU A 95 -12.156 -0.343 -6.014 1.00 0.00 C ATOM 1609 CD1 LEU A 95 -12.445 1.038 -5.442 1.00 0.00 C ATOM 1610 CD2 LEU A 95 -10.720 -0.733 -5.716 1.00 0.00 C ATOM 0 H LEU A 95 -14.920 -2.933 -4.641 1.00 0.00 H new ATOM 0 HA LEU A 95 -14.770 -0.058 -5.151 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -12.860 -1.547 -4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -12.934 -2.338 -5.950 1.00 0.00 H new ATOM 0 HG LEU A 95 -12.307 -0.303 -7.093 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -11.751 1.762 -5.870 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -13.467 1.327 -5.687 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -12.324 1.016 -4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.046 0.018 -6.129 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.576 -0.796 -4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -10.505 -1.701 -6.167 1.00 0.00 H new ATOM 1622 N THR A 96 -14.743 -0.083 -7.745 1.00 0.00 N ATOM 1623 CA THR A 96 -15.191 0.041 -9.122 1.00 0.00 C ATOM 1624 C THR A 96 -14.327 -0.771 -10.086 1.00 0.00 C ATOM 1625 O THR A 96 -13.280 -1.298 -9.705 1.00 0.00 O ATOM 1626 CB THR A 96 -15.192 1.518 -9.556 1.00 0.00 C ATOM 1627 OG1 THR A 96 -14.041 2.185 -9.016 1.00 0.00 O ATOM 1628 CG2 THR A 96 -16.461 2.216 -9.094 1.00 0.00 C ATOM 0 H THR A 96 -14.151 0.685 -7.427 1.00 0.00 H new ATOM 0 HA THR A 96 -16.205 -0.357 -9.162 1.00 0.00 H new ATOM 0 HB THR A 96 -15.155 1.558 -10.645 1.00 0.00 H new ATOM 0 HG1 THR A 96 -14.045 3.124 -9.297 1.00 0.00 H new ATOM 0 HG21 THR A 96 -16.439 3.258 -9.412 1.00 0.00 H new ATOM 0 HG22 THR A 96 -17.328 1.721 -9.531 1.00 0.00 H new ATOM 0 HG23 THR A 96 -16.527 2.170 -8.007 1.00 0.00 H new ATOM 1636 N ASP A 97 -14.794 -0.859 -11.336 1.00 0.00 N ATOM 1637 CA ASP A 97 -14.097 -1.571 -12.409 1.00 0.00 C ATOM 1638 C ASP A 97 -14.063 -3.068 -12.140 1.00 0.00 C ATOM 1639 O ASP A 97 -14.683 -3.571 -11.199 1.00 0.00 O ATOM 1640 CB ASP A 97 -12.672 -1.022 -12.614 1.00 0.00 C ATOM 1641 CG ASP A 97 -12.166 -1.228 -14.038 1.00 0.00 C ATOM 1642 OD1 ASP A 97 -11.697 -2.342 -14.363 1.00 0.00 O ATOM 1643 OD2 ASP A 97 -12.244 -0.277 -14.842 1.00 0.00 O ATOM 0 H ASP A 97 -15.673 -0.435 -11.632 1.00 0.00 H new ATOM 0 HA ASP A 97 -14.656 -1.403 -13.330 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.658 0.042 -12.377 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -11.993 -1.512 -11.916 1.00 0.00 H new ATOM 1648 N THR A 98 -13.365 -3.765 -13.004 1.00 0.00 N ATOM 1649 CA THR A 98 -13.243 -5.207 -12.947 1.00 0.00 C ATOM 1650 C THR A 98 -12.301 -5.644 -11.825 1.00 0.00 C ATOM 1651 O THR A 98 -11.163 -6.049 -12.073 1.00 0.00 O ATOM 1652 CB THR A 98 -12.745 -5.760 -14.300 1.00 0.00 C ATOM 1653 OG1 THR A 98 -11.568 -5.051 -14.730 1.00 0.00 O ATOM 1654 CG2 THR A 98 -13.827 -5.638 -15.361 1.00 0.00 C ATOM 0 H THR A 98 -12.856 -3.342 -13.780 1.00 0.00 H new ATOM 0 HA THR A 98 -14.232 -5.614 -12.737 1.00 0.00 H new ATOM 0 HB THR A 98 -12.500 -6.813 -14.164 1.00 0.00 H new ATOM 0 HG1 THR A 98 -11.740 -4.086 -14.705 1.00 0.00 H new ATOM 0 HG21 THR A 98 -13.456 -6.033 -16.307 1.00 0.00 H new ATOM 0 HG22 THR A 98 -14.706 -6.204 -15.051 1.00 0.00 H new ATOM 0 HG23 THR A 98 -14.096 -4.589 -15.487 1.00 0.00 H new ATOM 1662 N ARG A 99 -12.787 -5.541 -10.590 1.00 0.00 N ATOM 1663 CA ARG A 99 -12.036 -5.968 -9.417 1.00 0.00 C ATOM 1664 C ARG A 99 -11.601 -7.422 -9.568 1.00 0.00 C ATOM 1665 O ARG A 99 -12.433 -8.331 -9.561 1.00 0.00 O ATOM 1666 CB ARG A 99 -12.899 -5.812 -8.164 1.00 0.00 C ATOM 1667 CG ARG A 99 -12.167 -6.141 -6.878 1.00 0.00 C ATOM 1668 CD ARG A 99 -13.090 -6.085 -5.673 1.00 0.00 C ATOM 1669 NE ARG A 99 -14.106 -7.139 -5.709 1.00 0.00 N ATOM 1670 CZ ARG A 99 -14.864 -7.483 -4.669 1.00 0.00 C ATOM 1671 NH1 ARG A 99 -14.741 -6.847 -3.511 1.00 0.00 N ATOM 1672 NH2 ARG A 99 -15.752 -8.464 -4.790 1.00 0.00 N ATOM 0 H ARG A 99 -13.709 -5.160 -10.377 1.00 0.00 H new ATOM 0 HA ARG A 99 -11.148 -5.344 -9.322 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.266 -4.787 -8.111 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -13.772 -6.459 -8.251 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.728 -7.136 -6.954 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.344 -5.440 -6.739 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.501 -6.181 -4.761 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -13.579 -5.112 -5.636 1.00 0.00 H new ATOM 0 HE ARG A 99 -14.242 -7.642 -6.586 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -14.064 -6.091 -3.414 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -15.324 -7.114 -2.718 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -15.853 -8.954 -5.679 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -16.332 -8.728 -3.994 1.00 0.00 H new ATOM 1686 N THR A 100 -10.304 -7.635 -9.712 1.00 0.00 N ATOM 1687 CA THR A 100 -9.774 -8.965 -9.947 1.00 0.00 C ATOM 1688 C THR A 100 -8.980 -9.452 -8.735 1.00 0.00 C ATOM 1689 O THR A 100 -7.768 -9.156 -8.649 1.00 0.00 O ATOM 1690 CB THR A 100 -8.876 -8.974 -11.199 1.00 0.00 C ATOM 1691 OG1 THR A 100 -9.528 -8.264 -12.263 1.00 0.00 O ATOM 1692 CG2 THR A 100 -8.582 -10.398 -11.646 1.00 0.00 C ATOM 1693 OXT THR A 100 -9.572 -10.120 -7.862 1.00 0.00 O ATOM 0 H THR A 100 -9.597 -6.901 -9.670 1.00 0.00 H new ATOM 0 HA THR A 100 -10.614 -9.640 -10.109 1.00 0.00 H new ATOM 0 HB THR A 100 -7.933 -8.487 -10.950 1.00 0.00 H new ATOM 0 HG1 THR A 100 -10.070 -7.539 -11.888 1.00 0.00 H new ATOM 0 HG21 THR A 100 -7.947 -10.378 -12.531 1.00 0.00 H new ATOM 0 HG22 THR A 100 -8.071 -10.933 -10.845 1.00 0.00 H new ATOM 0 HG23 THR A 100 -9.517 -10.906 -11.882 1.00 0.00 H new TER 1701 THR A 100