USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 794 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -83:sc= 0.0854 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.39) USER MOD Single : A 46 TYR OH : rot 45:sc= -0.164 USER MOD Single : A 47 CYS SG : rot 180:sc= -1.54 USER MOD Single : A 48 THR OG1 : rot 72:sc= 0.0997 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0344) USER MOD Single : A 64 LYS NZ :NH3+ -162:sc= -0.0863 (180deg=-0.444) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 162:sc= -0.598 (180deg=-1.32) USER MOD Single : A 67 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.63) USER MOD Single : A 70 MET CE :methyl 140:sc= -0.125 (180deg=-0.327) USER MOD Single : A 71 GLN : amide:sc= -0.0221 K(o=-0.022,f=-1.4) USER MOD Single : A 72 GLN : amide:sc= -0.262 K(o=-0.26,f=-3.1!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.555 K(o=0.55,f=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.545 K(o=-0.55,f=-0.0072) USER MOD Single : A 90 GLN : amide:sc= -3.63! C(o=-3.6!,f=-5.2!) USER MOD Single : A 94 GLN : amide:sc= -0.35 X(o=-0.35,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 110:sc= -1.57! USER MOD Single : A 99 SER OG : rot 180:sc= 0.0172 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.00309 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 12.622 -5.186 1.440 1.00 0.00 N ATOM 2 CA ALA A 8 13.251 -4.024 2.056 1.00 0.00 C ATOM 3 C ALA A 8 12.348 -2.798 1.963 1.00 0.00 C ATOM 4 O ALA A 8 12.074 -2.298 0.873 1.00 0.00 O ATOM 5 CB ALA A 8 14.594 -3.742 1.401 1.00 0.00 C ATOM 0 HA ALA A 8 13.413 -4.246 3.111 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.052 -2.872 1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 8 15.247 -4.606 1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.447 -3.545 0.339 1.00 0.00 H new ATOM 11 N ALA A 9 11.888 -2.319 3.115 1.00 0.00 N ATOM 12 CA ALA A 9 11.016 -1.152 3.163 1.00 0.00 C ATOM 13 C ALA A 9 11.749 0.098 2.686 1.00 0.00 C ATOM 14 O ALA A 9 12.977 0.156 2.660 1.00 0.00 O ATOM 15 CB ALA A 9 10.485 -0.949 4.574 1.00 0.00 C ATOM 0 H ALA A 9 12.105 -2.721 4.027 1.00 0.00 H new ATOM 0 HA ALA A 9 10.175 -1.327 2.492 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.835 -0.074 4.596 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.919 -1.829 4.880 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.320 -0.798 5.259 1.00 0.00 H new ATOM 21 N PRO A 10 10.976 1.126 2.300 1.00 0.00 N ATOM 22 CA PRO A 10 11.530 2.394 1.818 1.00 0.00 C ATOM 23 C PRO A 10 12.205 3.191 2.928 1.00 0.00 C ATOM 24 O PRO A 10 11.546 3.678 3.845 1.00 0.00 O ATOM 25 CB PRO A 10 10.301 3.141 1.294 1.00 0.00 C ATOM 26 CG PRO A 10 9.156 2.569 2.058 1.00 0.00 C ATOM 27 CD PRO A 10 9.504 1.127 2.306 1.00 0.00 C ATOM 0 HA PRO A 10 12.305 2.241 1.067 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.390 4.215 1.459 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.175 2.993 0.222 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.008 3.102 2.997 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.228 2.655 1.493 1.00 0.00 H new ATOM 0 HD2 PRO A 10 9.106 0.775 3.258 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.098 0.477 1.531 1.00 0.00 H new ATOM 35 N ASN A 11 13.525 3.322 2.838 1.00 0.00 N ATOM 36 CA ASN A 11 14.291 4.061 3.835 1.00 0.00 C ATOM 37 C ASN A 11 14.743 5.409 3.284 1.00 0.00 C ATOM 38 O ASN A 11 14.880 6.382 4.027 1.00 0.00 O ATOM 39 CB ASN A 11 15.505 3.246 4.284 1.00 0.00 C ATOM 40 CG ASN A 11 16.209 3.865 5.477 1.00 0.00 C ATOM 41 OD1 ASN A 11 15.634 4.685 6.193 1.00 0.00 O ATOM 42 ND2 ASN A 11 17.459 3.474 5.694 1.00 0.00 N ATOM 0 H ASN A 11 14.086 2.926 2.084 1.00 0.00 H new ATOM 0 HA ASN A 11 13.645 4.239 4.695 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.186 2.235 4.538 1.00 0.00 H new ATOM 0 HB3 ASN A 11 16.208 3.160 3.455 1.00 0.00 H new ATOM 0 HD21 ASN A 11 17.984 3.856 6.481 1.00 0.00 H new ATOM 0 HD22 ASN A 11 17.895 2.792 5.074 1.00 0.00 H new ATOM 49 N LEU A 12 14.975 5.460 1.977 1.00 0.00 N ATOM 50 CA LEU A 12 15.412 6.690 1.324 1.00 0.00 C ATOM 51 C LEU A 12 14.363 7.787 1.472 1.00 0.00 C ATOM 52 O LEU A 12 14.547 8.738 2.231 1.00 0.00 O ATOM 53 CB LEU A 12 15.692 6.432 -0.157 1.00 0.00 C ATOM 54 CG LEU A 12 15.926 7.672 -1.022 1.00 0.00 C ATOM 55 CD1 LEU A 12 17.152 8.434 -0.542 1.00 0.00 C ATOM 56 CD2 LEU A 12 16.077 7.282 -2.485 1.00 0.00 C ATOM 0 H LEU A 12 14.868 4.664 1.348 1.00 0.00 H new ATOM 0 HA LEU A 12 16.330 7.023 1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 12 16.569 5.789 -0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 12 14.852 5.876 -0.574 1.00 0.00 H new ATOM 0 HG LEU A 12 15.058 8.325 -0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 12 17.303 9.313 -1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 12 17.004 8.747 0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 12 18.029 7.789 -0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 12 16.243 8.177 -3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 12 16.927 6.608 -2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 12 15.170 6.781 -2.824 1.00 0.00 H new ATOM 68 N ALA A 13 13.262 7.648 0.742 1.00 0.00 N ATOM 69 CA ALA A 13 12.181 8.625 0.795 1.00 0.00 C ATOM 70 C ALA A 13 10.869 7.971 1.216 1.00 0.00 C ATOM 71 O ALA A 13 10.741 6.748 1.199 1.00 0.00 O ATOM 72 CB ALA A 13 12.023 9.310 -0.554 1.00 0.00 C ATOM 0 H ALA A 13 13.095 6.868 0.106 1.00 0.00 H new ATOM 0 HA ALA A 13 12.438 9.375 1.543 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.213 10.037 -0.500 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.951 9.820 -0.814 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.792 8.565 -1.316 1.00 0.00 H new ATOM 78 N GLY A 14 9.896 8.795 1.593 1.00 0.00 N ATOM 79 CA GLY A 14 8.607 8.278 2.014 1.00 0.00 C ATOM 80 C GLY A 14 7.615 8.195 0.871 1.00 0.00 C ATOM 81 O GLY A 14 6.407 8.126 1.092 1.00 0.00 O ATOM 0 H GLY A 14 9.978 9.812 1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.740 7.287 2.448 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.201 8.917 2.798 1.00 0.00 H new ATOM 85 N ALA A 15 8.126 8.202 -0.356 1.00 0.00 N ATOM 86 CA ALA A 15 7.277 8.126 -1.538 1.00 0.00 C ATOM 87 C ALA A 15 6.175 9.179 -1.491 1.00 0.00 C ATOM 88 O ALA A 15 4.997 8.869 -1.663 1.00 0.00 O ATOM 89 CB ALA A 15 6.674 6.735 -1.666 1.00 0.00 C ATOM 0 H ALA A 15 9.124 8.260 -0.557 1.00 0.00 H new ATOM 0 HA ALA A 15 7.896 8.324 -2.413 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.042 6.693 -2.553 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.473 5.999 -1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.074 6.516 -0.783 1.00 0.00 H new ATOM 95 N VAL A 16 6.567 10.428 -1.257 1.00 0.00 N ATOM 96 CA VAL A 16 5.612 11.528 -1.188 1.00 0.00 C ATOM 97 C VAL A 16 4.916 11.736 -2.528 1.00 0.00 C ATOM 98 O VAL A 16 3.802 12.256 -2.583 1.00 0.00 O ATOM 99 CB VAL A 16 6.300 12.842 -0.770 1.00 0.00 C ATOM 100 CG1 VAL A 16 6.840 12.733 0.649 1.00 0.00 C ATOM 101 CG2 VAL A 16 7.410 13.197 -1.747 1.00 0.00 C ATOM 0 H VAL A 16 7.539 10.703 -1.112 1.00 0.00 H new ATOM 0 HA VAL A 16 4.871 11.258 -0.435 1.00 0.00 H new ATOM 0 HB VAL A 16 5.561 13.643 -0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.323 13.670 0.928 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.019 12.529 1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.566 11.922 0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.885 14.128 -1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.152 12.398 -1.761 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.990 13.320 -2.745 1.00 0.00 H new ATOM 111 N GLU A 17 5.580 11.326 -3.604 1.00 0.00 N ATOM 112 CA GLU A 17 5.023 11.468 -4.944 1.00 0.00 C ATOM 113 C GLU A 17 4.323 10.185 -5.381 1.00 0.00 C ATOM 114 O GLU A 17 4.823 9.084 -5.155 1.00 0.00 O ATOM 115 CB GLU A 17 6.125 11.827 -5.943 1.00 0.00 C ATOM 116 CG GLU A 17 6.619 13.259 -5.817 1.00 0.00 C ATOM 117 CD GLU A 17 5.711 14.252 -6.516 1.00 0.00 C ATOM 118 OE1 GLU A 17 5.016 13.847 -7.472 1.00 0.00 O ATOM 119 OE2 GLU A 17 5.697 15.432 -6.110 1.00 0.00 O ATOM 0 H GLU A 17 6.503 10.893 -3.574 1.00 0.00 H new ATOM 0 HA GLU A 17 4.288 12.272 -4.921 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.966 11.148 -5.803 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.752 11.668 -6.955 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.695 13.522 -4.762 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.622 13.332 -6.237 1.00 0.00 H new ATOM 126 N PHE A 18 3.161 10.337 -6.008 1.00 0.00 N ATOM 127 CA PHE A 18 2.390 9.190 -6.476 1.00 0.00 C ATOM 128 C PHE A 18 3.163 8.411 -7.536 1.00 0.00 C ATOM 129 O PHE A 18 3.035 7.191 -7.642 1.00 0.00 O ATOM 130 CB PHE A 18 1.047 9.650 -7.044 1.00 0.00 C ATOM 131 CG PHE A 18 0.166 8.519 -7.494 1.00 0.00 C ATOM 132 CD1 PHE A 18 0.013 7.388 -6.707 1.00 0.00 C ATOM 133 CD2 PHE A 18 -0.508 8.586 -8.702 1.00 0.00 C ATOM 134 CE1 PHE A 18 -0.795 6.347 -7.118 1.00 0.00 C ATOM 135 CE2 PHE A 18 -1.318 7.547 -9.119 1.00 0.00 C ATOM 136 CZ PHE A 18 -1.463 6.426 -8.325 1.00 0.00 C ATOM 0 H PHE A 18 2.733 11.242 -6.204 1.00 0.00 H new ATOM 0 HA PHE A 18 2.211 8.532 -5.625 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.521 10.230 -6.286 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.228 10.317 -7.887 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.532 7.321 -5.762 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.399 9.461 -9.326 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.905 5.471 -6.496 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.837 7.611 -10.064 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.097 5.613 -8.647 1.00 0.00 H new ATOM 146 N SER A 19 3.966 9.125 -8.318 1.00 0.00 N ATOM 147 CA SER A 19 4.758 8.502 -9.373 1.00 0.00 C ATOM 148 C SER A 19 5.624 7.379 -8.811 1.00 0.00 C ATOM 149 O SER A 19 5.601 6.253 -9.310 1.00 0.00 O ATOM 150 CB SER A 19 5.639 9.545 -10.062 1.00 0.00 C ATOM 151 OG SER A 19 6.540 8.933 -10.969 1.00 0.00 O ATOM 0 H SER A 19 4.086 10.135 -8.241 1.00 0.00 H new ATOM 0 HA SER A 19 4.072 8.076 -10.105 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.012 10.260 -10.594 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.197 10.106 -9.313 1.00 0.00 H new ATOM 0 HG SER A 19 7.091 9.621 -11.397 1.00 0.00 H new ATOM 157 N ASP A 20 6.388 7.694 -7.770 1.00 0.00 N ATOM 158 CA ASP A 20 7.262 6.712 -7.138 1.00 0.00 C ATOM 159 C ASP A 20 6.447 5.632 -6.436 1.00 0.00 C ATOM 160 O ASP A 20 6.774 4.447 -6.510 1.00 0.00 O ATOM 161 CB ASP A 20 8.193 7.398 -6.137 1.00 0.00 C ATOM 162 CG ASP A 20 9.208 8.299 -6.813 1.00 0.00 C ATOM 163 OD1 ASP A 20 9.388 8.173 -8.042 1.00 0.00 O ATOM 164 OD2 ASP A 20 9.821 9.131 -6.113 1.00 0.00 O ATOM 0 H ASP A 20 6.420 8.621 -7.346 1.00 0.00 H new ATOM 0 HA ASP A 20 7.862 6.240 -7.916 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.599 7.986 -5.437 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.716 6.640 -5.554 1.00 0.00 H new ATOM 169 N VAL A 21 5.384 6.048 -5.753 1.00 0.00 N ATOM 170 CA VAL A 21 4.522 5.115 -5.038 1.00 0.00 C ATOM 171 C VAL A 21 4.012 4.017 -5.964 1.00 0.00 C ATOM 172 O VAL A 21 3.850 2.868 -5.552 1.00 0.00 O ATOM 173 CB VAL A 21 3.318 5.837 -4.404 1.00 0.00 C ATOM 174 CG1 VAL A 21 2.435 4.849 -3.657 1.00 0.00 C ATOM 175 CG2 VAL A 21 3.791 6.947 -3.477 1.00 0.00 C ATOM 0 H VAL A 21 5.100 7.025 -5.680 1.00 0.00 H new ATOM 0 HA VAL A 21 5.126 4.668 -4.248 1.00 0.00 H new ATOM 0 HB VAL A 21 2.726 6.287 -5.201 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.590 5.378 -3.216 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.068 4.092 -4.351 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.014 4.368 -2.868 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.928 7.447 -3.038 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.406 6.522 -2.684 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.378 7.669 -4.044 1.00 0.00 H new ATOM 185 N LYS A 22 3.762 4.377 -7.218 1.00 0.00 N ATOM 186 CA LYS A 22 3.271 3.422 -8.205 1.00 0.00 C ATOM 187 C LYS A 22 4.267 2.285 -8.403 1.00 0.00 C ATOM 188 O LYS A 22 3.882 1.119 -8.512 1.00 0.00 O ATOM 189 CB LYS A 22 3.011 4.125 -9.539 1.00 0.00 C ATOM 190 CG LYS A 22 1.593 4.649 -9.685 1.00 0.00 C ATOM 191 CD LYS A 22 1.363 5.258 -11.058 1.00 0.00 C ATOM 192 CE LYS A 22 1.936 6.664 -11.148 1.00 0.00 C ATOM 193 NZ LYS A 22 1.456 7.383 -12.361 1.00 0.00 N ATOM 0 H LYS A 22 3.891 5.324 -7.575 1.00 0.00 H new ATOM 0 HA LYS A 22 2.336 3.002 -7.834 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.709 4.956 -9.644 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.218 3.430 -10.353 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.885 3.836 -9.523 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.400 5.398 -8.917 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.823 4.627 -11.819 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.294 5.285 -11.271 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.657 7.227 -10.258 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.025 6.612 -11.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.869 8.337 -12.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.744 6.859 -13.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.419 7.456 -12.334 1.00 0.00 H new ATOM 207 N THR A 23 5.550 2.628 -8.447 1.00 0.00 N ATOM 208 CA THR A 23 6.602 1.635 -8.632 1.00 0.00 C ATOM 209 C THR A 23 6.802 0.805 -7.369 1.00 0.00 C ATOM 210 O THR A 23 6.965 -0.414 -7.434 1.00 0.00 O ATOM 211 CB THR A 23 7.938 2.298 -9.015 1.00 0.00 C ATOM 212 OG1 THR A 23 7.793 3.025 -10.239 1.00 0.00 O ATOM 213 CG2 THR A 23 9.035 1.254 -9.166 1.00 0.00 C ATOM 0 H THR A 23 5.887 3.587 -8.357 1.00 0.00 H new ATOM 0 HA THR A 23 6.283 0.983 -9.445 1.00 0.00 H new ATOM 0 HB THR A 23 8.218 2.986 -8.217 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.647 3.444 -10.473 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.970 1.745 -9.437 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.164 0.723 -8.223 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.758 0.545 -9.947 1.00 0.00 H new ATOM 221 N LEU A 24 6.789 1.472 -6.220 1.00 0.00 N ATOM 222 CA LEU A 24 6.968 0.795 -4.941 1.00 0.00 C ATOM 223 C LEU A 24 5.931 -0.309 -4.759 1.00 0.00 C ATOM 224 O LEU A 24 6.226 -1.366 -4.201 1.00 0.00 O ATOM 225 CB LEU A 24 6.867 1.799 -3.792 1.00 0.00 C ATOM 226 CG LEU A 24 6.956 1.217 -2.380 1.00 0.00 C ATOM 227 CD1 LEU A 24 8.401 1.176 -1.910 1.00 0.00 C ATOM 228 CD2 LEU A 24 6.101 2.024 -1.415 1.00 0.00 C ATOM 0 H LEU A 24 6.656 2.481 -6.148 1.00 0.00 H new ATOM 0 HA LEU A 24 7.959 0.342 -4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.661 2.536 -3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.921 2.332 -3.884 1.00 0.00 H new ATOM 0 HG LEU A 24 6.575 0.196 -2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.445 0.759 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.986 0.553 -2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.810 2.186 -1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.177 1.595 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.451 3.056 -1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.062 2.000 -1.742 1.00 0.00 H new ATOM 240 N LEU A 25 4.717 -0.057 -5.235 1.00 0.00 N ATOM 241 CA LEU A 25 3.636 -1.030 -5.127 1.00 0.00 C ATOM 242 C LEU A 25 3.754 -2.098 -6.210 1.00 0.00 C ATOM 243 O LEU A 25 3.559 -3.286 -5.951 1.00 0.00 O ATOM 244 CB LEU A 25 2.280 -0.330 -5.233 1.00 0.00 C ATOM 245 CG LEU A 25 1.859 0.502 -4.021 1.00 0.00 C ATOM 246 CD1 LEU A 25 0.677 1.394 -4.370 1.00 0.00 C ATOM 247 CD2 LEU A 25 1.517 -0.402 -2.845 1.00 0.00 C ATOM 0 H LEU A 25 4.456 0.813 -5.700 1.00 0.00 H new ATOM 0 HA LEU A 25 3.713 -1.514 -4.154 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.297 0.321 -6.107 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.516 -1.086 -5.413 1.00 0.00 H new ATOM 0 HG LEU A 25 2.696 1.138 -3.733 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.392 1.978 -3.495 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.956 2.067 -5.181 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.165 0.777 -4.684 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.220 0.208 -1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.696 -1.064 -3.122 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.390 -0.998 -2.578 1.00 0.00 H new ATOM 259 N LYS A 26 4.079 -1.669 -7.425 1.00 0.00 N ATOM 260 CA LYS A 26 4.228 -2.587 -8.548 1.00 0.00 C ATOM 261 C LYS A 26 5.353 -3.584 -8.289 1.00 0.00 C ATOM 262 O LYS A 26 5.227 -4.768 -8.600 1.00 0.00 O ATOM 263 CB LYS A 26 4.509 -1.809 -9.836 1.00 0.00 C ATOM 264 CG LYS A 26 4.682 -2.696 -11.056 1.00 0.00 C ATOM 265 CD LYS A 26 3.373 -2.873 -11.807 1.00 0.00 C ATOM 266 CE LYS A 26 3.210 -4.296 -12.318 1.00 0.00 C ATOM 267 NZ LYS A 26 3.587 -4.418 -13.753 1.00 0.00 N ATOM 0 H LYS A 26 4.244 -0.690 -7.657 1.00 0.00 H new ATOM 0 HA LYS A 26 3.295 -3.139 -8.660 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.690 -1.113 -10.016 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.411 -1.212 -9.701 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.428 -2.260 -11.721 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.060 -3.671 -10.748 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.539 -2.624 -11.150 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.337 -2.178 -12.646 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.827 -4.968 -11.722 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.175 -4.613 -12.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.462 -5.403 -14.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.981 -3.796 -14.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.582 -4.141 -13.875 1.00 0.00 H new ATOM 281 N GLU A 27 6.450 -3.097 -7.717 1.00 0.00 N ATOM 282 CA GLU A 27 7.596 -3.948 -7.416 1.00 0.00 C ATOM 283 C GLU A 27 7.321 -4.818 -6.193 1.00 0.00 C ATOM 284 O GLU A 27 7.649 -6.004 -6.176 1.00 0.00 O ATOM 285 CB GLU A 27 8.844 -3.096 -7.180 1.00 0.00 C ATOM 286 CG GLU A 27 8.769 -2.240 -5.927 1.00 0.00 C ATOM 287 CD GLU A 27 9.739 -1.076 -5.957 1.00 0.00 C ATOM 288 OE1 GLU A 27 9.439 -0.070 -6.633 1.00 0.00 O ATOM 289 OE2 GLU A 27 10.800 -1.170 -5.304 1.00 0.00 O ATOM 0 H GLU A 27 6.569 -2.119 -7.453 1.00 0.00 H new ATOM 0 HA GLU A 27 7.767 -4.600 -8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.713 -3.751 -7.111 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.000 -2.449 -8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.754 -1.859 -5.812 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.978 -2.860 -5.055 1.00 0.00 H new ATOM 296 N TRP A 28 6.718 -4.219 -5.172 1.00 0.00 N ATOM 297 CA TRP A 28 6.400 -4.939 -3.944 1.00 0.00 C ATOM 298 C TRP A 28 5.423 -6.076 -4.217 1.00 0.00 C ATOM 299 O TRP A 28 5.262 -6.979 -3.395 1.00 0.00 O ATOM 300 CB TRP A 28 5.811 -3.981 -2.906 1.00 0.00 C ATOM 301 CG TRP A 28 5.329 -4.672 -1.667 1.00 0.00 C ATOM 302 CD1 TRP A 28 6.092 -5.340 -0.752 1.00 0.00 C ATOM 303 CD2 TRP A 28 3.976 -4.765 -1.208 1.00 0.00 C ATOM 304 NE1 TRP A 28 5.295 -5.842 0.248 1.00 0.00 N ATOM 305 CE2 TRP A 28 3.993 -5.502 -0.008 1.00 0.00 C ATOM 306 CE3 TRP A 28 2.753 -4.295 -1.693 1.00 0.00 C ATOM 307 CZ2 TRP A 28 2.833 -5.780 0.710 1.00 0.00 C ATOM 308 CZ3 TRP A 28 1.602 -4.572 -0.978 1.00 0.00 C ATOM 309 CH2 TRP A 28 1.649 -5.308 0.213 1.00 0.00 C ATOM 0 H TRP A 28 6.440 -3.238 -5.170 1.00 0.00 H new ATOM 0 HA TRP A 28 7.323 -5.366 -3.552 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.566 -3.244 -2.632 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.981 -3.435 -3.355 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.164 -5.456 -0.807 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.620 -6.381 1.051 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.707 -3.726 -2.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.867 -6.349 1.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.651 -4.215 -1.344 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.733 -5.507 0.749 1.00 0.00 H new ATOM 320 N ILE A 29 4.773 -6.027 -5.375 1.00 0.00 N ATOM 321 CA ILE A 29 3.812 -7.055 -5.755 1.00 0.00 C ATOM 322 C ILE A 29 4.457 -8.102 -6.658 1.00 0.00 C ATOM 323 O ILE A 29 4.056 -9.267 -6.661 1.00 0.00 O ATOM 324 CB ILE A 29 2.595 -6.449 -6.478 1.00 0.00 C ATOM 325 CG1 ILE A 29 1.807 -5.547 -5.528 1.00 0.00 C ATOM 326 CG2 ILE A 29 1.704 -7.552 -7.031 1.00 0.00 C ATOM 327 CD1 ILE A 29 0.953 -4.519 -6.238 1.00 0.00 C ATOM 0 H ILE A 29 4.894 -5.287 -6.066 1.00 0.00 H new ATOM 0 HA ILE A 29 3.476 -7.530 -4.833 1.00 0.00 H new ATOM 0 HB ILE A 29 2.951 -5.844 -7.312 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.168 -6.166 -4.899 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.504 -5.033 -4.866 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.848 -7.108 -7.539 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.271 -8.158 -7.738 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.354 -8.181 -6.213 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.423 -3.915 -5.502 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.589 -3.875 -6.846 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.231 -5.026 -6.879 1.00 0.00 H new ATOM 339 N THR A 30 5.460 -7.681 -7.421 1.00 0.00 N ATOM 340 CA THR A 30 6.160 -8.582 -8.328 1.00 0.00 C ATOM 341 C THR A 30 7.345 -9.245 -7.636 1.00 0.00 C ATOM 342 O THR A 30 7.381 -10.466 -7.477 1.00 0.00 O ATOM 343 CB THR A 30 6.662 -7.839 -9.581 1.00 0.00 C ATOM 344 OG1 THR A 30 7.266 -6.596 -9.204 1.00 0.00 O ATOM 345 CG2 THR A 30 5.519 -7.580 -10.550 1.00 0.00 C ATOM 0 H THR A 30 5.806 -6.722 -7.429 1.00 0.00 H new ATOM 0 HA THR A 30 5.444 -9.346 -8.630 1.00 0.00 H new ATOM 0 HB THR A 30 7.402 -8.467 -10.077 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.570 -5.917 -9.083 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.897 -7.054 -11.427 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.080 -8.529 -10.857 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.759 -6.970 -10.061 1.00 0.00 H new ATOM 353 N THR A 31 8.315 -8.434 -7.225 1.00 0.00 N ATOM 354 CA THR A 31 9.503 -8.942 -6.550 1.00 0.00 C ATOM 355 C THR A 31 9.126 -9.842 -5.378 1.00 0.00 C ATOM 356 O THR A 31 9.879 -10.742 -5.008 1.00 0.00 O ATOM 357 CB THR A 31 10.393 -7.795 -6.037 1.00 0.00 C ATOM 358 OG1 THR A 31 11.714 -8.280 -5.773 1.00 0.00 O ATOM 359 CG2 THR A 31 9.810 -7.183 -4.772 1.00 0.00 C ATOM 0 H THR A 31 8.301 -7.422 -7.348 1.00 0.00 H new ATOM 0 HA THR A 31 10.061 -9.522 -7.286 1.00 0.00 H new ATOM 0 HB THR A 31 10.437 -7.026 -6.808 1.00 0.00 H new ATOM 0 HG1 THR A 31 12.274 -7.544 -5.449 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.456 -6.375 -4.428 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.816 -6.789 -4.983 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.740 -7.947 -3.997 1.00 0.00 H new ATOM 367 N ILE A 32 7.957 -9.591 -4.798 1.00 0.00 N ATOM 368 CA ILE A 32 7.481 -10.380 -3.668 1.00 0.00 C ATOM 369 C ILE A 32 6.551 -11.497 -4.131 1.00 0.00 C ATOM 370 O ILE A 32 5.811 -11.340 -5.103 1.00 0.00 O ATOM 371 CB ILE A 32 6.740 -9.503 -2.642 1.00 0.00 C ATOM 372 CG1 ILE A 32 7.588 -8.285 -2.272 1.00 0.00 C ATOM 373 CG2 ILE A 32 6.399 -10.314 -1.401 1.00 0.00 C ATOM 374 CD1 ILE A 32 8.985 -8.639 -1.812 1.00 0.00 C ATOM 0 H ILE A 32 7.323 -8.848 -5.092 1.00 0.00 H new ATOM 0 HA ILE A 32 8.361 -10.815 -3.194 1.00 0.00 H new ATOM 0 HB ILE A 32 5.810 -9.152 -3.090 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.655 -7.623 -3.136 1.00 0.00 H new ATOM 0 HG13 ILE A 32 7.084 -7.728 -1.482 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.876 -9.681 -0.685 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.760 -11.153 -1.678 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.317 -10.691 -0.949 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.529 -7.727 -1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.927 -9.276 -0.929 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.507 -9.169 -2.608 1.00 0.00 H new ATOM 386 N SER A 33 6.592 -12.624 -3.427 1.00 0.00 N ATOM 387 CA SER A 33 5.755 -13.768 -3.767 1.00 0.00 C ATOM 388 C SER A 33 4.991 -14.265 -2.543 1.00 0.00 C ATOM 389 O SER A 33 3.824 -14.644 -2.638 1.00 0.00 O ATOM 390 CB SER A 33 6.609 -14.899 -4.341 1.00 0.00 C ATOM 391 OG SER A 33 6.948 -14.645 -5.695 1.00 0.00 O ATOM 0 H SER A 33 7.196 -12.769 -2.618 1.00 0.00 H new ATOM 0 HA SER A 33 5.034 -13.448 -4.519 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.518 -15.009 -3.750 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.066 -15.841 -4.269 1.00 0.00 H new ATOM 0 HG SER A 33 7.496 -15.381 -6.039 1.00 0.00 H new ATOM 397 N ASP A 34 5.659 -14.258 -1.394 1.00 0.00 N ATOM 398 CA ASP A 34 5.044 -14.706 -0.150 1.00 0.00 C ATOM 399 C ASP A 34 5.261 -13.684 0.963 1.00 0.00 C ATOM 400 O ASP A 34 6.062 -13.885 1.875 1.00 0.00 O ATOM 401 CB ASP A 34 5.616 -16.061 0.267 1.00 0.00 C ATOM 402 CG ASP A 34 4.648 -16.863 1.114 1.00 0.00 C ATOM 403 OD1 ASP A 34 3.491 -17.045 0.682 1.00 0.00 O ATOM 404 OD2 ASP A 34 5.047 -17.309 2.210 1.00 0.00 O ATOM 0 H ASP A 34 6.626 -13.947 -1.299 1.00 0.00 H new ATOM 0 HA ASP A 34 3.972 -14.809 -0.320 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.874 -16.633 -0.624 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.540 -15.906 0.825 1.00 0.00 H new ATOM 409 N PRO A 35 4.532 -12.562 0.885 1.00 0.00 N ATOM 410 CA PRO A 35 4.627 -11.485 1.876 1.00 0.00 C ATOM 411 C PRO A 35 4.044 -11.888 3.226 1.00 0.00 C ATOM 412 O PRO A 35 3.164 -12.746 3.303 1.00 0.00 O ATOM 413 CB PRO A 35 3.803 -10.355 1.254 1.00 0.00 C ATOM 414 CG PRO A 35 2.839 -11.043 0.350 1.00 0.00 C ATOM 415 CD PRO A 35 3.557 -12.255 -0.175 1.00 0.00 C ATOM 0 HA PRO A 35 5.662 -11.212 2.082 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.285 -9.776 2.018 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.436 -9.660 0.702 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.935 -11.328 0.888 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.532 -10.388 -0.465 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.872 -13.086 -0.343 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.049 -12.050 -1.126 1.00 0.00 H new ATOM 423 N MET A 36 4.538 -11.263 4.290 1.00 0.00 N ATOM 424 CA MET A 36 4.064 -11.557 5.637 1.00 0.00 C ATOM 425 C MET A 36 3.163 -10.439 6.152 1.00 0.00 C ATOM 426 O MET A 36 3.042 -9.388 5.522 1.00 0.00 O ATOM 427 CB MET A 36 5.249 -11.750 6.587 1.00 0.00 C ATOM 428 CG MET A 36 6.168 -12.893 6.187 1.00 0.00 C ATOM 429 SD MET A 36 7.195 -13.468 7.552 1.00 0.00 S ATOM 430 CE MET A 36 7.076 -15.243 7.342 1.00 0.00 C ATOM 0 H MET A 36 5.266 -10.550 4.245 1.00 0.00 H new ATOM 0 HA MET A 36 3.484 -12.479 5.598 1.00 0.00 H new ATOM 0 HB2 MET A 36 5.827 -10.827 6.626 1.00 0.00 H new ATOM 0 HB3 MET A 36 4.872 -11.933 7.593 1.00 0.00 H new ATOM 0 HG2 MET A 36 5.568 -13.723 5.814 1.00 0.00 H new ATOM 0 HG3 MET A 36 6.809 -12.569 5.367 1.00 0.00 H new ATOM 0 HE1 MET A 36 7.661 -15.741 8.115 1.00 0.00 H new ATOM 0 HE2 MET A 36 6.033 -15.550 7.422 1.00 0.00 H new ATOM 0 HE3 MET A 36 7.461 -15.520 6.361 1.00 0.00 H new ATOM 440 N GLU A 37 2.533 -10.673 7.299 1.00 0.00 N ATOM 441 CA GLU A 37 1.641 -9.685 7.894 1.00 0.00 C ATOM 442 C GLU A 37 2.330 -8.327 8.005 1.00 0.00 C ATOM 443 O GLU A 37 1.714 -7.288 7.775 1.00 0.00 O ATOM 444 CB GLU A 37 1.181 -10.150 9.278 1.00 0.00 C ATOM 445 CG GLU A 37 2.323 -10.380 10.254 1.00 0.00 C ATOM 446 CD GLU A 37 1.848 -10.910 11.593 1.00 0.00 C ATOM 447 OE1 GLU A 37 0.836 -10.391 12.110 1.00 0.00 O ATOM 448 OE2 GLU A 37 2.487 -11.842 12.124 1.00 0.00 O ATOM 0 H GLU A 37 2.624 -11.537 7.834 1.00 0.00 H new ATOM 0 HA GLU A 37 0.771 -9.580 7.245 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.502 -9.406 9.695 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.614 -11.075 9.171 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.031 -11.085 9.819 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.859 -9.443 10.408 1.00 0.00 H new ATOM 455 N GLU A 38 3.611 -8.347 8.360 1.00 0.00 N ATOM 456 CA GLU A 38 4.382 -7.118 8.503 1.00 0.00 C ATOM 457 C GLU A 38 4.358 -6.308 7.210 1.00 0.00 C ATOM 458 O GLU A 38 4.393 -5.077 7.235 1.00 0.00 O ATOM 459 CB GLU A 38 5.827 -7.439 8.890 1.00 0.00 C ATOM 460 CG GLU A 38 6.515 -8.397 7.932 1.00 0.00 C ATOM 461 CD GLU A 38 7.996 -8.549 8.222 1.00 0.00 C ATOM 462 OE1 GLU A 38 8.676 -7.517 8.395 1.00 0.00 O ATOM 463 OE2 GLU A 38 8.474 -9.701 8.277 1.00 0.00 O ATOM 0 H GLU A 38 4.136 -9.200 8.554 1.00 0.00 H new ATOM 0 HA GLU A 38 3.926 -6.522 9.293 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.397 -6.511 8.934 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.839 -7.869 9.892 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.035 -9.373 7.993 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.383 -8.040 6.910 1.00 0.00 H new ATOM 470 N ASP A 39 4.299 -7.006 6.082 1.00 0.00 N ATOM 471 CA ASP A 39 4.269 -6.353 4.778 1.00 0.00 C ATOM 472 C ASP A 39 2.947 -5.623 4.566 1.00 0.00 C ATOM 473 O ASP A 39 2.924 -4.484 4.100 1.00 0.00 O ATOM 474 CB ASP A 39 4.485 -7.379 3.665 1.00 0.00 C ATOM 475 CG ASP A 39 5.810 -8.105 3.795 1.00 0.00 C ATOM 476 OD1 ASP A 39 6.628 -7.700 4.648 1.00 0.00 O ATOM 477 OD2 ASP A 39 6.028 -9.079 3.046 1.00 0.00 O ATOM 0 H ASP A 39 4.271 -8.025 6.044 1.00 0.00 H new ATOM 0 HA ASP A 39 5.076 -5.621 4.747 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.673 -8.106 3.682 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.443 -6.877 2.699 1.00 0.00 H new ATOM 482 N ILE A 40 1.848 -6.288 4.909 1.00 0.00 N ATOM 483 CA ILE A 40 0.523 -5.703 4.755 1.00 0.00 C ATOM 484 C ILE A 40 0.327 -4.528 5.707 1.00 0.00 C ATOM 485 O ILE A 40 -0.389 -3.575 5.396 1.00 0.00 O ATOM 486 CB ILE A 40 -0.585 -6.742 5.007 1.00 0.00 C ATOM 487 CG1 ILE A 40 -0.485 -7.882 3.991 1.00 0.00 C ATOM 488 CG2 ILE A 40 -1.954 -6.085 4.941 1.00 0.00 C ATOM 489 CD1 ILE A 40 0.374 -9.036 4.459 1.00 0.00 C ATOM 0 H ILE A 40 1.850 -7.232 5.295 1.00 0.00 H new ATOM 0 HA ILE A 40 0.452 -5.351 3.726 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.452 -7.157 6.006 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.487 -8.251 3.772 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.078 -7.492 3.058 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.726 -6.833 5.121 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.020 -5.305 5.700 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.099 -5.645 3.955 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.399 -9.807 3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.387 -8.681 4.651 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.044 -9.453 5.375 1.00 0.00 H new ATOM 501 N LEU A 41 0.969 -4.600 6.868 1.00 0.00 N ATOM 502 CA LEU A 41 0.868 -3.541 7.866 1.00 0.00 C ATOM 503 C LEU A 41 1.664 -2.312 7.438 1.00 0.00 C ATOM 504 O LEU A 41 1.322 -1.186 7.796 1.00 0.00 O ATOM 505 CB LEU A 41 1.369 -4.042 9.222 1.00 0.00 C ATOM 506 CG LEU A 41 0.520 -5.121 9.895 1.00 0.00 C ATOM 507 CD1 LEU A 41 1.084 -5.467 11.264 1.00 0.00 C ATOM 508 CD2 LEU A 41 -0.927 -4.664 10.012 1.00 0.00 C ATOM 0 H LEU A 41 1.565 -5.381 7.141 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.181 -3.258 7.956 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.379 -4.431 9.092 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.440 -3.190 9.898 1.00 0.00 H new ATOM 0 HG LEU A 41 0.548 -6.018 9.276 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.467 -6.236 11.728 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.104 -5.837 11.155 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.086 -4.576 11.892 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.517 -5.444 10.493 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.974 -3.753 10.609 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.328 -4.467 9.018 1.00 0.00 H new ATOM 520 N GLN A 42 2.725 -2.538 6.671 1.00 0.00 N ATOM 521 CA GLN A 42 3.569 -1.449 6.194 1.00 0.00 C ATOM 522 C GLN A 42 2.845 -0.625 5.134 1.00 0.00 C ATOM 523 O GLN A 42 2.821 0.604 5.198 1.00 0.00 O ATOM 524 CB GLN A 42 4.876 -2.000 5.624 1.00 0.00 C ATOM 525 CG GLN A 42 5.915 -2.324 6.687 1.00 0.00 C ATOM 526 CD GLN A 42 6.396 -1.092 7.426 1.00 0.00 C ATOM 527 OE1 GLN A 42 6.688 -0.062 6.817 1.00 0.00 O ATOM 528 NE2 GLN A 42 6.483 -1.190 8.747 1.00 0.00 N ATOM 0 H GLN A 42 3.021 -3.465 6.366 1.00 0.00 H new ATOM 0 HA GLN A 42 3.796 -0.801 7.040 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.661 -2.902 5.051 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.295 -1.273 4.928 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.491 -3.029 7.402 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.766 -2.818 6.219 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.231 -2.062 9.211 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.802 -0.393 9.298 1.00 0.00 H new ATOM 537 N VAL A 43 2.258 -1.310 4.158 1.00 0.00 N ATOM 538 CA VAL A 43 1.533 -0.642 3.084 1.00 0.00 C ATOM 539 C VAL A 43 0.343 0.141 3.627 1.00 0.00 C ATOM 540 O VAL A 43 0.002 1.207 3.116 1.00 0.00 O ATOM 541 CB VAL A 43 1.033 -1.650 2.032 1.00 0.00 C ATOM 542 CG1 VAL A 43 2.204 -2.266 1.282 1.00 0.00 C ATOM 543 CG2 VAL A 43 0.184 -2.729 2.689 1.00 0.00 C ATOM 0 H VAL A 43 2.270 -2.328 4.089 1.00 0.00 H new ATOM 0 HA VAL A 43 2.233 0.048 2.612 1.00 0.00 H new ATOM 0 HB VAL A 43 0.411 -1.118 1.312 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.830 -2.975 0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.767 -1.480 0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.855 -2.784 1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.161 -3.432 1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.780 -3.259 3.432 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.676 -2.269 3.175 1.00 0.00 H new ATOM 553 N VAL A 44 -0.286 -0.396 4.668 1.00 0.00 N ATOM 554 CA VAL A 44 -1.437 0.253 5.283 1.00 0.00 C ATOM 555 C VAL A 44 -1.013 1.476 6.090 1.00 0.00 C ATOM 556 O VAL A 44 -1.706 2.493 6.105 1.00 0.00 O ATOM 557 CB VAL A 44 -2.202 -0.716 6.204 1.00 0.00 C ATOM 558 CG1 VAL A 44 -3.329 0.009 6.924 1.00 0.00 C ATOM 559 CG2 VAL A 44 -2.739 -1.896 5.407 1.00 0.00 C ATOM 0 H VAL A 44 -0.017 -1.279 5.103 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.094 0.567 4.472 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.511 -1.099 6.955 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.858 -0.692 7.570 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.915 0.817 7.527 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.023 0.422 6.191 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.277 -2.571 6.073 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.416 -1.534 4.633 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.909 -2.429 4.943 1.00 0.00 H new ATOM 569 N ARG A 45 0.130 1.369 6.759 1.00 0.00 N ATOM 570 CA ARG A 45 0.646 2.465 7.569 1.00 0.00 C ATOM 571 C ARG A 45 0.867 3.712 6.719 1.00 0.00 C ATOM 572 O ARG A 45 0.728 4.837 7.200 1.00 0.00 O ATOM 573 CB ARG A 45 1.957 2.056 8.244 1.00 0.00 C ATOM 574 CG ARG A 45 2.651 3.197 8.969 1.00 0.00 C ATOM 575 CD ARG A 45 1.741 3.832 10.009 1.00 0.00 C ATOM 576 NE ARG A 45 1.379 2.891 11.066 1.00 0.00 N ATOM 577 CZ ARG A 45 2.209 2.515 12.032 1.00 0.00 C ATOM 578 NH1 ARG A 45 3.443 3.000 12.076 1.00 0.00 N ATOM 579 NH2 ARG A 45 1.806 1.656 12.958 1.00 0.00 N ATOM 0 H ARG A 45 0.716 0.534 6.756 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.093 2.695 8.336 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.755 1.255 8.955 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.633 1.651 7.491 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.555 2.826 9.453 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.963 3.952 8.247 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.240 4.696 10.448 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.836 4.198 9.524 1.00 0.00 H new ATOM 0 HE ARG A 45 0.436 2.501 11.062 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.756 3.663 11.367 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.079 2.710 12.819 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.857 1.283 12.929 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.445 1.368 13.699 1.00 0.00 H new ATOM 593 N TYR A 46 1.213 3.504 5.453 1.00 0.00 N ATOM 594 CA TYR A 46 1.456 4.611 4.536 1.00 0.00 C ATOM 595 C TYR A 46 0.151 5.309 4.165 1.00 0.00 C ATOM 596 O TYR A 46 0.101 6.534 4.046 1.00 0.00 O ATOM 597 CB TYR A 46 2.156 4.110 3.271 1.00 0.00 C ATOM 598 CG TYR A 46 2.198 5.131 2.157 1.00 0.00 C ATOM 599 CD1 TYR A 46 2.992 6.266 2.258 1.00 0.00 C ATOM 600 CD2 TYR A 46 1.445 4.959 1.002 1.00 0.00 C ATOM 601 CE1 TYR A 46 3.033 7.202 1.243 1.00 0.00 C ATOM 602 CE2 TYR A 46 1.481 5.889 -0.019 1.00 0.00 C ATOM 603 CZ TYR A 46 2.276 7.009 0.107 1.00 0.00 C ATOM 604 OH TYR A 46 2.315 7.937 -0.908 1.00 0.00 O ATOM 0 H TYR A 46 1.331 2.579 5.039 1.00 0.00 H new ATOM 0 HA TYR A 46 2.101 5.330 5.040 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.175 3.817 3.522 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.646 3.216 2.914 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.588 6.419 3.146 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.821 4.083 0.901 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.655 8.080 1.339 1.00 0.00 H new ATOM 0 HE2 TYR A 46 0.890 5.740 -0.911 1.00 0.00 H new ATOM 0 HH TYR A 46 3.244 8.199 -1.077 1.00 0.00 H new ATOM 614 N CYS A 47 -0.904 4.521 3.987 1.00 0.00 N ATOM 615 CA CYS A 47 -2.211 5.061 3.630 1.00 0.00 C ATOM 616 C CYS A 47 -2.864 5.742 4.828 1.00 0.00 C ATOM 617 O CYS A 47 -3.260 6.906 4.757 1.00 0.00 O ATOM 618 CB CYS A 47 -3.118 3.950 3.101 1.00 0.00 C ATOM 619 SG CYS A 47 -2.628 3.300 1.488 1.00 0.00 S ATOM 0 H CYS A 47 -0.880 3.506 4.084 1.00 0.00 H new ATOM 0 HA CYS A 47 -2.067 5.805 2.847 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.130 3.132 3.821 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -4.137 4.330 3.033 1.00 0.00 H new ATOM 0 HG CYS A 47 -3.455 2.364 1.128 1.00 0.00 H new ATOM 625 N THR A 48 -2.973 5.008 5.932 1.00 0.00 N ATOM 626 CA THR A 48 -3.581 5.539 7.146 1.00 0.00 C ATOM 627 C THR A 48 -2.889 6.823 7.590 1.00 0.00 C ATOM 628 O THR A 48 -3.488 7.659 8.267 1.00 0.00 O ATOM 629 CB THR A 48 -3.526 4.515 8.295 1.00 0.00 C ATOM 630 OG1 THR A 48 -4.149 3.291 7.890 1.00 0.00 O ATOM 631 CG2 THR A 48 -4.220 5.057 9.535 1.00 0.00 C ATOM 0 H THR A 48 -2.648 4.044 6.010 1.00 0.00 H new ATOM 0 HA THR A 48 -4.623 5.754 6.911 1.00 0.00 H new ATOM 0 HB THR A 48 -2.480 4.327 8.536 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.575 2.831 7.242 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.169 4.317 10.333 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.726 5.973 9.857 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.264 5.270 9.304 1.00 0.00 H new ATOM 639 N ASP A 49 -1.626 6.972 7.206 1.00 0.00 N ATOM 640 CA ASP A 49 -0.853 8.155 7.564 1.00 0.00 C ATOM 641 C ASP A 49 -1.252 9.347 6.700 1.00 0.00 C ATOM 642 O ASP A 49 -1.166 10.497 7.132 1.00 0.00 O ATOM 643 CB ASP A 49 0.644 7.878 7.413 1.00 0.00 C ATOM 644 CG ASP A 49 1.491 9.109 7.672 1.00 0.00 C ATOM 645 OD1 ASP A 49 1.564 9.976 6.776 1.00 0.00 O ATOM 646 OD2 ASP A 49 2.079 9.205 8.768 1.00 0.00 O ATOM 0 H ASP A 49 -1.116 6.288 6.647 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.066 8.396 8.605 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.936 7.088 8.105 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.842 7.509 6.407 1.00 0.00 H new ATOM 651 N LEU A 50 -1.686 9.065 5.477 1.00 0.00 N ATOM 652 CA LEU A 50 -2.097 10.114 4.549 1.00 0.00 C ATOM 653 C LEU A 50 -3.354 10.819 5.049 1.00 0.00 C ATOM 654 O LEU A 50 -3.402 12.047 5.122 1.00 0.00 O ATOM 655 CB LEU A 50 -2.346 9.525 3.160 1.00 0.00 C ATOM 656 CG LEU A 50 -1.100 9.131 2.365 1.00 0.00 C ATOM 657 CD1 LEU A 50 -1.482 8.295 1.154 1.00 0.00 C ATOM 658 CD2 LEU A 50 -0.327 10.370 1.937 1.00 0.00 C ATOM 0 H LEU A 50 -1.763 8.119 5.104 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.292 10.846 4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.977 8.643 3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.911 10.251 2.575 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.457 8.530 3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.583 8.024 0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.992 7.390 1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.145 8.871 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.556 10.071 1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.962 10.997 1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.021 10.931 2.820 1.00 0.00 H new ATOM 670 N ILE A 51 -4.370 10.033 5.392 1.00 0.00 N ATOM 671 CA ILE A 51 -5.626 10.583 5.887 1.00 0.00 C ATOM 672 C ILE A 51 -5.399 11.445 7.124 1.00 0.00 C ATOM 673 O ILE A 51 -6.210 12.314 7.443 1.00 0.00 O ATOM 674 CB ILE A 51 -6.632 9.467 6.230 1.00 0.00 C ATOM 675 CG1 ILE A 51 -6.925 8.616 4.992 1.00 0.00 C ATOM 676 CG2 ILE A 51 -7.916 10.065 6.784 1.00 0.00 C ATOM 677 CD1 ILE A 51 -7.055 7.140 5.291 1.00 0.00 C ATOM 0 H ILE A 51 -4.348 9.015 5.336 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.038 11.200 5.088 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.194 8.824 6.994 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.847 8.967 4.530 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.127 8.762 4.264 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.617 9.265 7.022 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.693 10.632 7.688 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.360 10.727 6.040 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.262 6.599 4.368 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.125 6.773 5.726 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.872 6.982 5.995 1.00 0.00 H new ATOM 689 N GLU A 52 -4.292 11.198 7.815 1.00 0.00 N ATOM 690 CA GLU A 52 -3.958 11.954 9.017 1.00 0.00 C ATOM 691 C GLU A 52 -3.444 13.346 8.660 1.00 0.00 C ATOM 692 O GLU A 52 -3.527 14.274 9.464 1.00 0.00 O ATOM 693 CB GLU A 52 -2.908 11.206 9.842 1.00 0.00 C ATOM 694 CG GLU A 52 -3.408 9.889 10.413 1.00 0.00 C ATOM 695 CD GLU A 52 -4.223 10.073 11.678 1.00 0.00 C ATOM 696 OE1 GLU A 52 -3.623 10.097 12.773 1.00 0.00 O ATOM 697 OE2 GLU A 52 -5.461 10.193 11.573 1.00 0.00 O ATOM 0 H GLU A 52 -3.611 10.481 7.564 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.866 12.063 9.610 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.036 11.014 9.217 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.578 11.846 10.661 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.016 9.380 9.665 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.556 9.243 10.625 1.00 0.00 H new ATOM 704 N GLU A 53 -2.912 13.481 7.449 1.00 0.00 N ATOM 705 CA GLU A 53 -2.383 14.758 6.986 1.00 0.00 C ATOM 706 C GLU A 53 -3.256 15.340 5.878 1.00 0.00 C ATOM 707 O GLU A 53 -2.860 16.279 5.188 1.00 0.00 O ATOM 708 CB GLU A 53 -0.948 14.588 6.484 1.00 0.00 C ATOM 709 CG GLU A 53 -0.775 13.434 5.511 1.00 0.00 C ATOM 710 CD GLU A 53 0.601 13.407 4.876 1.00 0.00 C ATOM 711 OE1 GLU A 53 0.779 14.050 3.820 1.00 0.00 O ATOM 712 OE2 GLU A 53 1.500 12.743 5.433 1.00 0.00 O ATOM 0 H GLU A 53 -2.836 12.722 6.772 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.387 15.450 7.828 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.630 15.511 5.999 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.289 14.433 7.339 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.948 12.494 6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.531 13.507 4.729 1.00 0.00 H new ATOM 719 N LYS A 54 -4.446 14.774 5.714 1.00 0.00 N ATOM 720 CA LYS A 54 -5.378 15.233 4.690 1.00 0.00 C ATOM 721 C LYS A 54 -4.805 15.014 3.294 1.00 0.00 C ATOM 722 O LYS A 54 -5.293 15.580 2.316 1.00 0.00 O ATOM 723 CB LYS A 54 -5.699 16.717 4.894 1.00 0.00 C ATOM 724 CG LYS A 54 -5.956 17.090 6.344 1.00 0.00 C ATOM 725 CD LYS A 54 -7.138 18.036 6.475 1.00 0.00 C ATOM 726 CE LYS A 54 -6.861 19.370 5.798 1.00 0.00 C ATOM 727 NZ LYS A 54 -6.832 20.492 6.776 1.00 0.00 N ATOM 0 H LYS A 54 -4.789 13.996 6.277 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.295 14.651 4.782 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.870 17.315 4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.576 16.975 4.300 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.145 16.187 6.925 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.066 17.558 6.764 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.023 17.578 6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.359 18.201 7.530 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.907 19.320 5.274 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.627 19.562 5.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.641 21.384 6.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.751 20.556 7.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.084 20.321 7.478 1.00 0.00 H new ATOM 741 N ASP A 55 -3.768 14.188 3.209 1.00 0.00 N ATOM 742 CA ASP A 55 -3.131 13.891 1.931 1.00 0.00 C ATOM 743 C ASP A 55 -3.659 12.583 1.351 1.00 0.00 C ATOM 744 O ASP A 55 -2.939 11.862 0.659 1.00 0.00 O ATOM 745 CB ASP A 55 -1.613 13.812 2.100 1.00 0.00 C ATOM 746 CG ASP A 55 -0.867 14.316 0.882 1.00 0.00 C ATOM 747 OD1 ASP A 55 -1.352 15.272 0.242 1.00 0.00 O ATOM 748 OD2 ASP A 55 0.203 13.756 0.566 1.00 0.00 O ATOM 0 H ASP A 55 -3.351 13.712 4.009 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.371 14.697 1.238 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.317 14.396 2.971 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.326 12.779 2.296 1.00 0.00 H new ATOM 753 N LEU A 56 -4.921 12.280 1.638 1.00 0.00 N ATOM 754 CA LEU A 56 -5.545 11.058 1.147 1.00 0.00 C ATOM 755 C LEU A 56 -5.926 11.196 -0.324 1.00 0.00 C ATOM 756 O LEU A 56 -6.391 10.240 -0.947 1.00 0.00 O ATOM 757 CB LEU A 56 -6.786 10.726 1.978 1.00 0.00 C ATOM 758 CG LEU A 56 -7.649 11.915 2.399 1.00 0.00 C ATOM 759 CD1 LEU A 56 -8.009 12.769 1.193 1.00 0.00 C ATOM 760 CD2 LEU A 56 -8.906 11.436 3.111 1.00 0.00 C ATOM 0 H LEU A 56 -5.531 12.865 2.209 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.824 10.246 1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.407 10.036 1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.466 10.198 2.877 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.074 12.528 3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.624 13.610 1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.097 13.142 0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.564 12.167 0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.508 12.296 3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.484 10.799 2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.627 10.869 3.999 1.00 0.00 H new ATOM 772 N GLU A 57 -5.725 12.389 -0.874 1.00 0.00 N ATOM 773 CA GLU A 57 -6.046 12.649 -2.272 1.00 0.00 C ATOM 774 C GLU A 57 -5.401 11.609 -3.182 1.00 0.00 C ATOM 775 O GLU A 57 -6.076 10.970 -3.990 1.00 0.00 O ATOM 776 CB GLU A 57 -5.582 14.051 -2.673 1.00 0.00 C ATOM 777 CG GLU A 57 -6.396 15.167 -2.040 1.00 0.00 C ATOM 778 CD GLU A 57 -7.677 15.455 -2.797 1.00 0.00 C ATOM 779 OE1 GLU A 57 -7.998 14.694 -3.733 1.00 0.00 O ATOM 780 OE2 GLU A 57 -8.359 16.443 -2.452 1.00 0.00 O ATOM 0 H GLU A 57 -5.342 13.190 -0.373 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.128 12.585 -2.387 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.536 14.172 -2.392 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.634 14.145 -3.758 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.639 14.897 -1.012 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.792 16.073 -1.997 1.00 0.00 H new ATOM 787 N LYS A 58 -4.090 11.442 -3.045 1.00 0.00 N ATOM 788 CA LYS A 58 -3.351 10.479 -3.853 1.00 0.00 C ATOM 789 C LYS A 58 -3.712 9.049 -3.459 1.00 0.00 C ATOM 790 O LYS A 58 -3.683 8.140 -4.289 1.00 0.00 O ATOM 791 CB LYS A 58 -1.846 10.699 -3.695 1.00 0.00 C ATOM 792 CG LYS A 58 -1.270 11.694 -4.687 1.00 0.00 C ATOM 793 CD LYS A 58 -1.501 13.127 -4.238 1.00 0.00 C ATOM 794 CE LYS A 58 -0.526 13.533 -3.144 1.00 0.00 C ATOM 795 NZ LYS A 58 0.837 13.794 -3.685 1.00 0.00 N ATOM 0 H LYS A 58 -3.517 11.962 -2.381 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.626 10.630 -4.897 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.643 11.049 -2.683 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.333 9.744 -3.812 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.201 11.516 -4.803 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.727 11.540 -5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.393 13.798 -5.090 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.523 13.235 -3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.895 14.427 -2.642 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.474 12.745 -2.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.431 14.213 -2.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.261 12.900 -4.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.772 14.452 -4.487 1.00 0.00 H new ATOM 809 N LEU A 59 -4.050 8.858 -2.189 1.00 0.00 N ATOM 810 CA LEU A 59 -4.417 7.539 -1.685 1.00 0.00 C ATOM 811 C LEU A 59 -5.575 6.953 -2.487 1.00 0.00 C ATOM 812 O LEU A 59 -5.494 5.827 -2.980 1.00 0.00 O ATOM 813 CB LEU A 59 -4.798 7.624 -0.206 1.00 0.00 C ATOM 814 CG LEU A 59 -4.504 6.382 0.636 1.00 0.00 C ATOM 815 CD1 LEU A 59 -5.099 6.526 2.027 1.00 0.00 C ATOM 816 CD2 LEU A 59 -5.042 5.134 -0.050 1.00 0.00 C ATOM 0 H LEU A 59 -4.078 9.599 -1.489 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.554 6.882 -1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.272 8.470 0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.864 7.840 -0.138 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.423 6.281 0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.879 5.632 2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.666 7.397 2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.179 6.652 1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.824 4.259 0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.120 5.226 -0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.567 5.021 -1.025 1.00 0.00 H new ATOM 828 N ASP A 60 -6.649 7.724 -2.615 1.00 0.00 N ATOM 829 CA ASP A 60 -7.823 7.282 -3.360 1.00 0.00 C ATOM 830 C ASP A 60 -7.427 6.766 -4.740 1.00 0.00 C ATOM 831 O ASP A 60 -8.067 5.863 -5.283 1.00 0.00 O ATOM 832 CB ASP A 60 -8.825 8.428 -3.499 1.00 0.00 C ATOM 833 CG ASP A 60 -10.246 7.995 -3.196 1.00 0.00 C ATOM 834 OD1 ASP A 60 -10.566 6.809 -3.424 1.00 0.00 O ATOM 835 OD2 ASP A 60 -11.038 8.841 -2.730 1.00 0.00 O ATOM 0 H ASP A 60 -6.731 8.658 -2.213 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.289 6.467 -2.807 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.543 9.237 -2.825 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.778 8.827 -4.512 1.00 0.00 H new ATOM 840 N LEU A 61 -6.370 7.342 -5.302 1.00 0.00 N ATOM 841 CA LEU A 61 -5.890 6.941 -6.619 1.00 0.00 C ATOM 842 C LEU A 61 -5.112 5.631 -6.540 1.00 0.00 C ATOM 843 O LEU A 61 -5.187 4.796 -7.441 1.00 0.00 O ATOM 844 CB LEU A 61 -5.006 8.037 -7.216 1.00 0.00 C ATOM 845 CG LEU A 61 -5.501 9.471 -7.037 1.00 0.00 C ATOM 846 CD1 LEU A 61 -4.395 10.464 -7.364 1.00 0.00 C ATOM 847 CD2 LEU A 61 -6.724 9.727 -7.906 1.00 0.00 C ATOM 0 H LEU A 61 -5.829 8.089 -4.866 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.756 6.789 -7.263 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.014 7.958 -6.771 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.893 7.844 -8.283 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.787 9.607 -5.994 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.767 11.480 -7.231 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.548 10.297 -6.699 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.077 10.327 -8.397 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.062 10.754 -7.765 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.465 9.571 -8.953 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.522 9.040 -7.623 1.00 0.00 H new ATOM 859 N VAL A 62 -4.367 5.457 -5.453 1.00 0.00 N ATOM 860 CA VAL A 62 -3.578 4.247 -5.252 1.00 0.00 C ATOM 861 C VAL A 62 -4.467 3.010 -5.217 1.00 0.00 C ATOM 862 O VAL A 62 -4.079 1.940 -5.687 1.00 0.00 O ATOM 863 CB VAL A 62 -2.763 4.318 -3.948 1.00 0.00 C ATOM 864 CG1 VAL A 62 -1.995 3.023 -3.726 1.00 0.00 C ATOM 865 CG2 VAL A 62 -1.819 5.510 -3.972 1.00 0.00 C ATOM 0 H VAL A 62 -4.293 6.139 -4.698 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.892 4.173 -6.096 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.455 4.449 -3.116 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.425 3.092 -2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.696 2.191 -3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.313 2.857 -4.560 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.252 5.544 -3.042 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.132 5.413 -4.813 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.396 6.429 -4.078 1.00 0.00 H new ATOM 875 N ILE A 63 -5.663 3.164 -4.659 1.00 0.00 N ATOM 876 CA ILE A 63 -6.610 2.059 -4.564 1.00 0.00 C ATOM 877 C ILE A 63 -6.886 1.454 -5.936 1.00 0.00 C ATOM 878 O ILE A 63 -7.000 0.236 -6.079 1.00 0.00 O ATOM 879 CB ILE A 63 -7.942 2.511 -3.936 1.00 0.00 C ATOM 880 CG1 ILE A 63 -7.693 3.171 -2.579 1.00 0.00 C ATOM 881 CG2 ILE A 63 -8.886 1.327 -3.791 1.00 0.00 C ATOM 882 CD1 ILE A 63 -7.048 2.249 -1.568 1.00 0.00 C ATOM 0 H ILE A 63 -6.000 4.043 -4.266 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.154 1.305 -3.922 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.408 3.244 -4.594 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.056 4.044 -2.720 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.641 3.529 -2.179 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.823 1.661 -3.346 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.084 0.897 -4.773 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.428 0.573 -3.150 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.901 2.784 -0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.693 1.387 -1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.084 1.911 -1.947 1.00 0.00 H new ATOM 894 N LYS A 64 -6.993 2.311 -6.945 1.00 0.00 N ATOM 895 CA LYS A 64 -7.253 1.863 -8.308 1.00 0.00 C ATOM 896 C LYS A 64 -6.057 1.100 -8.867 1.00 0.00 C ATOM 897 O LYS A 64 -6.210 0.226 -9.721 1.00 0.00 O ATOM 898 CB LYS A 64 -7.576 3.057 -9.208 1.00 0.00 C ATOM 899 CG LYS A 64 -8.643 3.977 -8.638 1.00 0.00 C ATOM 900 CD LYS A 64 -10.003 3.298 -8.602 1.00 0.00 C ATOM 901 CE LYS A 64 -10.519 3.009 -10.004 1.00 0.00 C ATOM 902 NZ LYS A 64 -10.544 4.235 -10.849 1.00 0.00 N ATOM 0 H LYS A 64 -6.903 3.322 -6.844 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.112 1.192 -8.285 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.665 3.631 -9.376 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.906 2.690 -10.180 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.361 4.283 -7.630 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.703 4.883 -9.241 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.931 2.367 -8.040 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.715 3.934 -8.075 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.888 2.256 -10.475 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.523 2.590 -9.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.167 4.080 -11.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.901 5.035 -10.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.582 4.447 -11.182 1.00 0.00 H new ATOM 916 N TYR A 65 -4.867 1.434 -8.380 1.00 0.00 N ATOM 917 CA TYR A 65 -3.645 0.781 -8.833 1.00 0.00 C ATOM 918 C TYR A 65 -3.429 -0.539 -8.098 1.00 0.00 C ATOM 919 O TYR A 65 -2.932 -1.507 -8.673 1.00 0.00 O ATOM 920 CB TYR A 65 -2.441 1.700 -8.617 1.00 0.00 C ATOM 921 CG TYR A 65 -1.313 1.460 -9.595 1.00 0.00 C ATOM 922 CD1 TYR A 65 -1.511 1.601 -10.963 1.00 0.00 C ATOM 923 CD2 TYR A 65 -0.049 1.092 -9.150 1.00 0.00 C ATOM 924 CE1 TYR A 65 -0.484 1.381 -11.860 1.00 0.00 C ATOM 925 CE2 TYR A 65 0.985 0.873 -10.039 1.00 0.00 C ATOM 926 CZ TYR A 65 0.762 1.018 -11.393 1.00 0.00 C ATOM 927 OH TYR A 65 1.789 0.800 -12.284 1.00 0.00 O ATOM 0 H TYR A 65 -4.723 2.153 -7.671 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.748 0.571 -9.898 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.767 2.737 -8.698 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.067 1.562 -7.603 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.485 1.888 -11.331 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.128 0.975 -8.091 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.656 1.493 -12.920 1.00 0.00 H new ATOM 0 HE2 TYR A 65 1.962 0.590 -9.677 1.00 0.00 H new ATOM 0 HH TYR A 65 2.601 0.553 -11.794 1.00 0.00 H new ATOM 937 N MET A 66 -3.807 -0.569 -6.825 1.00 0.00 N ATOM 938 CA MET A 66 -3.657 -1.771 -6.012 1.00 0.00 C ATOM 939 C MET A 66 -4.707 -2.813 -6.384 1.00 0.00 C ATOM 940 O MET A 66 -4.432 -4.013 -6.386 1.00 0.00 O ATOM 941 CB MET A 66 -3.769 -1.424 -4.526 1.00 0.00 C ATOM 942 CG MET A 66 -2.582 -1.893 -3.701 1.00 0.00 C ATOM 943 SD MET A 66 -1.871 -0.577 -2.694 1.00 0.00 S ATOM 944 CE MET A 66 -3.340 0.071 -1.900 1.00 0.00 C ATOM 0 H MET A 66 -4.219 0.224 -6.334 1.00 0.00 H new ATOM 0 HA MET A 66 -2.670 -2.191 -6.206 1.00 0.00 H new ATOM 0 HB2 MET A 66 -3.870 -0.344 -4.420 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.679 -1.870 -4.125 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.896 -2.711 -3.053 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.816 -2.290 -4.367 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.053 0.656 -1.026 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.882 0.706 -2.601 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.980 -0.755 -1.589 1.00 0.00 H new ATOM 954 N LYS A 67 -5.912 -2.347 -6.697 1.00 0.00 N ATOM 955 CA LYS A 67 -7.003 -3.239 -7.071 1.00 0.00 C ATOM 956 C LYS A 67 -6.771 -3.831 -8.458 1.00 0.00 C ATOM 957 O LYS A 67 -7.114 -4.985 -8.715 1.00 0.00 O ATOM 958 CB LYS A 67 -8.335 -2.487 -7.042 1.00 0.00 C ATOM 959 CG LYS A 67 -8.477 -1.458 -8.150 1.00 0.00 C ATOM 960 CD LYS A 67 -9.815 -0.740 -8.077 1.00 0.00 C ATOM 961 CE LYS A 67 -10.971 -1.686 -8.363 1.00 0.00 C ATOM 962 NZ LYS A 67 -12.287 -0.993 -8.287 1.00 0.00 N ATOM 0 H LYS A 67 -6.157 -1.357 -6.699 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.037 -4.055 -6.349 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.150 -3.206 -7.119 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.440 -1.988 -6.079 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.668 -0.731 -8.078 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.379 -1.949 -9.118 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.940 -0.300 -7.088 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.829 0.080 -8.795 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.847 -2.122 -9.354 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.952 -2.509 -7.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.993 -1.633 -7.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.198 -0.142 -7.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.591 -0.719 -9.243 1.00 0.00 H new ATOM 976 N ARG A 68 -6.185 -3.034 -9.346 1.00 0.00 N ATOM 977 CA ARG A 68 -5.908 -3.479 -10.706 1.00 0.00 C ATOM 978 C ARG A 68 -4.641 -4.329 -10.751 1.00 0.00 C ATOM 979 O ARG A 68 -4.453 -5.133 -11.665 1.00 0.00 O ATOM 980 CB ARG A 68 -5.762 -2.277 -11.639 1.00 0.00 C ATOM 981 CG ARG A 68 -4.440 -1.544 -11.486 1.00 0.00 C ATOM 982 CD ARG A 68 -4.373 -0.321 -12.388 1.00 0.00 C ATOM 983 NE ARG A 68 -3.133 -0.275 -13.158 1.00 0.00 N ATOM 984 CZ ARG A 68 -2.977 0.453 -14.258 1.00 0.00 C ATOM 985 NH1 ARG A 68 -3.979 1.193 -14.715 1.00 0.00 N ATOM 986 NH2 ARG A 68 -1.818 0.442 -14.905 1.00 0.00 N ATOM 0 H ARG A 68 -5.893 -2.077 -9.148 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.747 -4.089 -11.041 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.863 -2.614 -12.671 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.578 -1.580 -11.450 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.310 -1.239 -10.448 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.619 -2.219 -11.725 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.223 -0.327 -13.070 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.457 0.581 -11.782 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.343 -0.833 -12.833 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.872 1.204 -14.221 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.857 1.751 -15.560 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.045 -0.126 -14.558 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.700 1.002 -15.750 1.00 0.00 H new ATOM 1000 N LEU A 69 -3.775 -4.144 -9.761 1.00 0.00 N ATOM 1001 CA LEU A 69 -2.525 -4.893 -9.688 1.00 0.00 C ATOM 1002 C LEU A 69 -2.757 -6.286 -9.113 1.00 0.00 C ATOM 1003 O LEU A 69 -2.415 -7.290 -9.736 1.00 0.00 O ATOM 1004 CB LEU A 69 -1.506 -4.139 -8.833 1.00 0.00 C ATOM 1005 CG LEU A 69 -0.579 -3.181 -9.580 1.00 0.00 C ATOM 1006 CD1 LEU A 69 0.347 -2.466 -8.608 1.00 0.00 C ATOM 1007 CD2 LEU A 69 0.226 -3.930 -10.633 1.00 0.00 C ATOM 0 H LEU A 69 -3.915 -3.482 -8.998 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.134 -4.999 -10.700 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.047 -3.572 -8.075 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.892 -4.870 -8.307 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.191 -2.433 -10.083 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.999 -1.788 -9.159 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.246 -1.897 -7.892 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.952 -3.200 -8.076 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.881 -3.232 -11.155 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.828 -4.701 -10.151 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.453 -4.394 -11.348 1.00 0.00 H new ATOM 1019 N MET A 70 -3.345 -6.339 -7.923 1.00 0.00 N ATOM 1020 CA MET A 70 -3.627 -7.609 -7.265 1.00 0.00 C ATOM 1021 C MET A 70 -4.550 -8.471 -8.121 1.00 0.00 C ATOM 1022 O MET A 70 -4.547 -9.697 -8.010 1.00 0.00 O ATOM 1023 CB MET A 70 -4.261 -7.370 -5.893 1.00 0.00 C ATOM 1024 CG MET A 70 -3.245 -7.187 -4.777 1.00 0.00 C ATOM 1025 SD MET A 70 -3.438 -5.618 -3.911 1.00 0.00 S ATOM 1026 CE MET A 70 -1.855 -5.491 -3.084 1.00 0.00 C ATOM 0 H MET A 70 -3.636 -5.517 -7.394 1.00 0.00 H new ATOM 0 HA MET A 70 -2.683 -8.138 -7.133 1.00 0.00 H new ATOM 0 HB2 MET A 70 -4.895 -6.485 -5.944 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.908 -8.212 -5.649 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.343 -8.005 -4.064 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.239 -7.246 -5.193 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.506 -4.459 -3.124 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.962 -5.798 -2.044 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.132 -6.138 -3.581 1.00 0.00 H new ATOM 1036 N GLN A 71 -5.337 -7.822 -8.972 1.00 0.00 N ATOM 1037 CA GLN A 71 -6.266 -8.530 -9.845 1.00 0.00 C ATOM 1038 C GLN A 71 -5.515 -9.406 -10.843 1.00 0.00 C ATOM 1039 O GLN A 71 -5.848 -10.576 -11.028 1.00 0.00 O ATOM 1040 CB GLN A 71 -7.157 -7.535 -10.591 1.00 0.00 C ATOM 1041 CG GLN A 71 -8.520 -7.336 -9.947 1.00 0.00 C ATOM 1042 CD GLN A 71 -9.465 -8.490 -10.214 1.00 0.00 C ATOM 1043 OE1 GLN A 71 -9.155 -9.396 -10.989 1.00 0.00 O ATOM 1044 NE2 GLN A 71 -10.627 -8.464 -9.571 1.00 0.00 N ATOM 0 H GLN A 71 -5.350 -6.807 -9.076 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.891 -9.172 -9.224 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.647 -6.573 -10.646 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.296 -7.881 -11.615 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.395 -7.215 -8.871 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.964 -6.414 -10.322 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.842 -7.694 -8.938 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.304 -9.214 -9.710 1.00 0.00 H new ATOM 1053 N GLN A 72 -4.502 -8.830 -11.482 1.00 0.00 N ATOM 1054 CA GLN A 72 -3.705 -9.559 -12.461 1.00 0.00 C ATOM 1055 C GLN A 72 -3.068 -10.795 -11.834 1.00 0.00 C ATOM 1056 O GLN A 72 -2.711 -11.745 -12.532 1.00 0.00 O ATOM 1057 CB GLN A 72 -2.620 -8.652 -13.044 1.00 0.00 C ATOM 1058 CG GLN A 72 -1.346 -8.617 -12.215 1.00 0.00 C ATOM 1059 CD GLN A 72 -0.659 -7.266 -12.259 1.00 0.00 C ATOM 1060 OE1 GLN A 72 -1.145 -6.329 -12.892 1.00 0.00 O ATOM 1061 NE2 GLN A 72 0.478 -7.158 -11.581 1.00 0.00 N ATOM 0 H GLN A 72 -4.214 -7.862 -11.340 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.368 -9.882 -13.263 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.379 -8.990 -14.052 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -3.014 -7.639 -13.133 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.583 -8.867 -11.181 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -0.659 -9.382 -12.578 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.845 -7.961 -11.070 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.984 -6.272 -11.572 1.00 0.00 H new ATOM 1070 N SER A 73 -2.927 -10.776 -10.512 1.00 0.00 N ATOM 1071 CA SER A 73 -2.330 -11.893 -9.790 1.00 0.00 C ATOM 1072 C SER A 73 -3.393 -12.908 -9.383 1.00 0.00 C ATOM 1073 O SER A 73 -4.526 -12.545 -9.064 1.00 0.00 O ATOM 1074 CB SER A 73 -1.588 -11.389 -8.552 1.00 0.00 C ATOM 1075 OG SER A 73 -0.267 -10.993 -8.874 1.00 0.00 O ATOM 0 H SER A 73 -3.218 -9.999 -9.919 1.00 0.00 H new ATOM 0 HA SER A 73 -1.620 -12.385 -10.455 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.128 -10.547 -8.119 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.561 -12.174 -7.796 1.00 0.00 H new ATOM 0 HG SER A 73 0.185 -10.673 -8.065 1.00 0.00 H new ATOM 1081 N VAL A 74 -3.021 -14.184 -9.395 1.00 0.00 N ATOM 1082 CA VAL A 74 -3.941 -15.253 -9.026 1.00 0.00 C ATOM 1083 C VAL A 74 -3.719 -15.695 -7.584 1.00 0.00 C ATOM 1084 O VAL A 74 -4.591 -16.313 -6.973 1.00 0.00 O ATOM 1085 CB VAL A 74 -3.786 -16.472 -9.954 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -3.937 -16.058 -11.411 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.445 -17.152 -9.721 1.00 0.00 C ATOM 0 H VAL A 74 -2.088 -14.503 -9.657 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.950 -14.853 -9.130 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.575 -17.186 -9.721 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.824 -16.933 -12.051 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.923 -15.621 -11.565 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.171 -15.324 -11.662 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.353 -18.011 -10.385 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.639 -16.447 -9.925 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.381 -17.486 -8.685 1.00 0.00 H new ATOM 1097 N GLU A 75 -2.548 -15.373 -7.045 1.00 0.00 N ATOM 1098 CA GLU A 75 -2.213 -15.737 -5.674 1.00 0.00 C ATOM 1099 C GLU A 75 -3.306 -15.288 -4.709 1.00 0.00 C ATOM 1100 O GLU A 75 -3.555 -14.093 -4.548 1.00 0.00 O ATOM 1101 CB GLU A 75 -0.874 -15.116 -5.270 1.00 0.00 C ATOM 1102 CG GLU A 75 0.237 -15.356 -6.278 1.00 0.00 C ATOM 1103 CD GLU A 75 0.377 -16.817 -6.656 1.00 0.00 C ATOM 1104 OE1 GLU A 75 0.424 -17.665 -5.741 1.00 0.00 O ATOM 1105 OE2 GLU A 75 0.439 -17.114 -7.868 1.00 0.00 O ATOM 0 H GLU A 75 -1.816 -14.861 -7.537 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.132 -16.823 -5.624 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.007 -14.042 -5.137 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.571 -15.522 -4.305 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.041 -14.770 -7.176 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.181 -15.000 -5.865 1.00 0.00 H new ATOM 1112 N SER A 76 -3.957 -16.255 -4.068 1.00 0.00 N ATOM 1113 CA SER A 76 -5.026 -15.960 -3.122 1.00 0.00 C ATOM 1114 C SER A 76 -4.529 -15.045 -2.007 1.00 0.00 C ATOM 1115 O SER A 76 -5.260 -14.179 -1.526 1.00 0.00 O ATOM 1116 CB SER A 76 -5.579 -17.255 -2.526 1.00 0.00 C ATOM 1117 OG SER A 76 -6.494 -17.876 -3.413 1.00 0.00 O ATOM 0 H SER A 76 -3.762 -17.249 -4.187 1.00 0.00 H new ATOM 0 HA SER A 76 -5.823 -15.447 -3.661 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.758 -17.938 -2.309 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.074 -17.040 -1.579 1.00 0.00 H new ATOM 0 HG SER A 76 -6.832 -18.703 -3.009 1.00 0.00 H new ATOM 1123 N VAL A 77 -3.278 -15.243 -1.602 1.00 0.00 N ATOM 1124 CA VAL A 77 -2.681 -14.436 -0.545 1.00 0.00 C ATOM 1125 C VAL A 77 -2.767 -12.949 -0.872 1.00 0.00 C ATOM 1126 O VAL A 77 -3.039 -12.126 0.001 1.00 0.00 O ATOM 1127 CB VAL A 77 -1.205 -14.814 -0.315 1.00 0.00 C ATOM 1128 CG1 VAL A 77 -0.425 -14.740 -1.619 1.00 0.00 C ATOM 1129 CG2 VAL A 77 -0.583 -13.914 0.741 1.00 0.00 C ATOM 0 H VAL A 77 -2.659 -15.955 -1.990 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.247 -14.639 0.364 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.163 -15.841 0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.615 -15.010 -1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.858 -15.431 -2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.472 -13.725 -2.014 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.459 -14.195 0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.635 -12.876 0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.127 -14.024 1.679 1.00 0.00 H new ATOM 1139 N TRP A 78 -2.535 -12.614 -2.136 1.00 0.00 N ATOM 1140 CA TRP A 78 -2.588 -11.226 -2.580 1.00 0.00 C ATOM 1141 C TRP A 78 -4.030 -10.744 -2.693 1.00 0.00 C ATOM 1142 O TRP A 78 -4.354 -9.628 -2.288 1.00 0.00 O ATOM 1143 CB TRP A 78 -1.879 -11.073 -3.927 1.00 0.00 C ATOM 1144 CG TRP A 78 -0.397 -10.890 -3.802 1.00 0.00 C ATOM 1145 CD1 TRP A 78 0.574 -11.734 -4.259 1.00 0.00 C ATOM 1146 CD2 TRP A 78 0.282 -9.795 -3.177 1.00 0.00 C ATOM 1147 NE1 TRP A 78 1.816 -11.230 -3.955 1.00 0.00 N ATOM 1148 CE2 TRP A 78 1.664 -10.040 -3.292 1.00 0.00 C ATOM 1149 CE3 TRP A 78 -0.144 -8.630 -2.533 1.00 0.00 C ATOM 1150 CZ2 TRP A 78 2.620 -9.165 -2.786 1.00 0.00 C ATOM 1151 CZ3 TRP A 78 0.807 -7.762 -2.030 1.00 0.00 C ATOM 1152 CH2 TRP A 78 2.175 -8.032 -2.160 1.00 0.00 C ATOM 0 H TRP A 78 -2.309 -13.284 -2.871 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.078 -10.613 -1.837 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -2.079 -11.954 -4.536 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -2.300 -10.218 -4.456 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.393 -12.661 -4.782 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.707 -11.670 -4.185 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -1.197 -8.412 -2.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 3.675 -9.372 -2.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.490 -6.860 -1.528 1.00 0.00 H new ATOM 0 HH2 TRP A 78 2.893 -7.332 -1.758 1.00 0.00 H new ATOM 1163 N ASN A 79 -4.892 -11.592 -3.244 1.00 0.00 N ATOM 1164 CA ASN A 79 -6.299 -11.252 -3.408 1.00 0.00 C ATOM 1165 C ASN A 79 -6.956 -10.979 -2.058 1.00 0.00 C ATOM 1166 O ASN A 79 -7.562 -9.928 -1.852 1.00 0.00 O ATOM 1167 CB ASN A 79 -7.039 -12.382 -4.128 1.00 0.00 C ATOM 1168 CG ASN A 79 -6.743 -12.410 -5.616 1.00 0.00 C ATOM 1169 OD1 ASN A 79 -7.344 -11.669 -6.393 1.00 0.00 O ATOM 1170 ND2 ASN A 79 -5.814 -13.269 -6.018 1.00 0.00 N ATOM 0 H ASN A 79 -4.640 -12.520 -3.584 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.358 -10.346 -4.010 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.756 -13.337 -3.686 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.112 -12.265 -3.976 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.573 -13.334 -7.007 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.341 -13.864 -5.338 1.00 0.00 H new ATOM 1177 N MET A 80 -6.829 -11.934 -1.142 1.00 0.00 N ATOM 1178 CA MET A 80 -7.407 -11.796 0.190 1.00 0.00 C ATOM 1179 C MET A 80 -6.759 -10.642 0.948 1.00 0.00 C ATOM 1180 O MET A 80 -7.407 -9.976 1.755 1.00 0.00 O ATOM 1181 CB MET A 80 -7.242 -13.097 0.978 1.00 0.00 C ATOM 1182 CG MET A 80 -7.919 -14.292 0.328 1.00 0.00 C ATOM 1183 SD MET A 80 -8.381 -15.563 1.522 1.00 0.00 S ATOM 1184 CE MET A 80 -9.961 -14.937 2.088 1.00 0.00 C ATOM 0 H MET A 80 -6.332 -12.811 -1.298 1.00 0.00 H new ATOM 0 HA MET A 80 -8.470 -11.581 0.077 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.179 -13.310 1.093 1.00 0.00 H new ATOM 0 HB3 MET A 80 -7.650 -12.960 1.980 1.00 0.00 H new ATOM 0 HG2 MET A 80 -8.810 -13.956 -0.202 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.249 -14.724 -0.416 1.00 0.00 H new ATOM 0 HE1 MET A 80 -10.376 -15.616 2.833 1.00 0.00 H new ATOM 0 HE2 MET A 80 -9.824 -13.951 2.532 1.00 0.00 H new ATOM 0 HE3 MET A 80 -10.646 -14.862 1.244 1.00 0.00 H new ATOM 1194 N ALA A 81 -5.478 -10.411 0.682 1.00 0.00 N ATOM 1195 CA ALA A 81 -4.743 -9.337 1.338 1.00 0.00 C ATOM 1196 C ALA A 81 -5.319 -7.973 0.970 1.00 0.00 C ATOM 1197 O ALA A 81 -5.395 -7.075 1.808 1.00 0.00 O ATOM 1198 CB ALA A 81 -3.268 -9.406 0.971 1.00 0.00 C ATOM 0 H ALA A 81 -4.927 -10.954 0.016 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.844 -9.466 2.416 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.731 -8.598 1.468 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.858 -10.364 1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.157 -9.305 -0.109 1.00 0.00 H new ATOM 1204 N PHE A 82 -5.724 -7.828 -0.287 1.00 0.00 N ATOM 1205 CA PHE A 82 -6.292 -6.572 -0.766 1.00 0.00 C ATOM 1206 C PHE A 82 -7.542 -6.204 0.027 1.00 0.00 C ATOM 1207 O PHE A 82 -7.666 -5.086 0.527 1.00 0.00 O ATOM 1208 CB PHE A 82 -6.629 -6.677 -2.255 1.00 0.00 C ATOM 1209 CG PHE A 82 -7.319 -5.459 -2.799 1.00 0.00 C ATOM 1210 CD1 PHE A 82 -6.792 -4.195 -2.588 1.00 0.00 C ATOM 1211 CD2 PHE A 82 -8.494 -5.577 -3.525 1.00 0.00 C ATOM 1212 CE1 PHE A 82 -7.425 -3.072 -3.087 1.00 0.00 C ATOM 1213 CE2 PHE A 82 -9.132 -4.459 -4.027 1.00 0.00 C ATOM 1214 CZ PHE A 82 -8.596 -3.205 -3.808 1.00 0.00 C ATOM 0 H PHE A 82 -5.670 -8.563 -0.992 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.550 -5.787 -0.623 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.710 -6.846 -2.817 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.265 -7.548 -2.415 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.876 -4.086 -2.027 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -8.916 -6.555 -3.700 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.005 -2.092 -2.914 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -10.048 -4.565 -4.589 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.092 -2.329 -4.200 1.00 0.00 H new ATOM 1224 N ASP A 83 -8.468 -7.151 0.134 1.00 0.00 N ATOM 1225 CA ASP A 83 -9.710 -6.928 0.865 1.00 0.00 C ATOM 1226 C ASP A 83 -9.427 -6.387 2.263 1.00 0.00 C ATOM 1227 O ASP A 83 -10.147 -5.523 2.763 1.00 0.00 O ATOM 1228 CB ASP A 83 -10.511 -8.227 0.959 1.00 0.00 C ATOM 1229 CG ASP A 83 -11.943 -7.993 1.399 1.00 0.00 C ATOM 1230 OD1 ASP A 83 -12.718 -7.411 0.612 1.00 0.00 O ATOM 1231 OD2 ASP A 83 -12.289 -8.393 2.530 1.00 0.00 O ATOM 0 H ASP A 83 -8.382 -8.081 -0.276 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.296 -6.188 0.321 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.509 -8.723 -0.012 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.023 -8.901 1.663 1.00 0.00 H new ATOM 1236 N PHE A 84 -8.374 -6.902 2.890 1.00 0.00 N ATOM 1237 CA PHE A 84 -7.997 -6.472 4.231 1.00 0.00 C ATOM 1238 C PHE A 84 -7.332 -5.099 4.196 1.00 0.00 C ATOM 1239 O PHE A 84 -7.725 -4.188 4.926 1.00 0.00 O ATOM 1240 CB PHE A 84 -7.053 -7.492 4.870 1.00 0.00 C ATOM 1241 CG PHE A 84 -6.666 -7.150 6.281 1.00 0.00 C ATOM 1242 CD1 PHE A 84 -5.606 -6.294 6.535 1.00 0.00 C ATOM 1243 CD2 PHE A 84 -7.364 -7.683 7.353 1.00 0.00 C ATOM 1244 CE1 PHE A 84 -5.249 -5.979 7.831 1.00 0.00 C ATOM 1245 CE2 PHE A 84 -7.011 -7.370 8.652 1.00 0.00 C ATOM 1246 CZ PHE A 84 -5.952 -6.517 8.892 1.00 0.00 C ATOM 0 H PHE A 84 -7.767 -7.618 2.490 1.00 0.00 H new ATOM 0 HA PHE A 84 -8.904 -6.401 4.831 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -7.530 -8.472 4.860 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.151 -7.570 4.263 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -5.053 -5.869 5.710 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.193 -8.351 7.171 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.420 -5.312 8.016 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.563 -7.792 9.479 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.674 -6.271 9.906 1.00 0.00 H new ATOM 1256 N ILE A 85 -6.324 -4.959 3.342 1.00 0.00 N ATOM 1257 CA ILE A 85 -5.604 -3.698 3.211 1.00 0.00 C ATOM 1258 C ILE A 85 -6.568 -2.537 2.984 1.00 0.00 C ATOM 1259 O ILE A 85 -6.559 -1.554 3.725 1.00 0.00 O ATOM 1260 CB ILE A 85 -4.592 -3.745 2.053 1.00 0.00 C ATOM 1261 CG1 ILE A 85 -3.546 -4.834 2.304 1.00 0.00 C ATOM 1262 CG2 ILE A 85 -3.922 -2.390 1.878 1.00 0.00 C ATOM 1263 CD1 ILE A 85 -3.006 -5.457 1.035 1.00 0.00 C ATOM 0 H ILE A 85 -5.987 -5.703 2.731 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.065 -3.543 4.146 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.126 -3.985 1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.718 -4.408 2.871 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.988 -5.615 2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.209 -2.440 1.055 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.678 -1.636 1.658 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.398 -2.122 2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.270 -6.220 1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.824 -5.913 0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.535 -4.687 0.424 1.00 0.00 H new ATOM 1275 N LEU A 86 -7.397 -2.659 1.954 1.00 0.00 N ATOM 1276 CA LEU A 86 -8.369 -1.620 1.628 1.00 0.00 C ATOM 1277 C LEU A 86 -9.365 -1.430 2.767 1.00 0.00 C ATOM 1278 O LEU A 86 -9.741 -0.304 3.096 1.00 0.00 O ATOM 1279 CB LEU A 86 -9.112 -1.975 0.339 1.00 0.00 C ATOM 1280 CG LEU A 86 -10.032 -3.195 0.409 1.00 0.00 C ATOM 1281 CD1 LEU A 86 -11.436 -2.782 0.821 1.00 0.00 C ATOM 1282 CD2 LEU A 86 -10.058 -3.920 -0.929 1.00 0.00 C ATOM 0 H LEU A 86 -7.416 -3.466 1.330 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.829 -0.684 1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.707 -1.113 0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.375 -2.145 -0.446 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.641 -3.878 1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -12.076 -3.663 0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -11.403 -2.308 1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.837 -2.078 0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.717 -4.785 -0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.424 -3.244 -1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -9.051 -4.250 -1.183 1.00 0.00 H new ATOM 1294 N ASP A 87 -9.788 -2.537 3.368 1.00 0.00 N ATOM 1295 CA ASP A 87 -10.738 -2.493 4.473 1.00 0.00 C ATOM 1296 C ASP A 87 -10.219 -1.606 5.600 1.00 0.00 C ATOM 1297 O ASP A 87 -10.998 -0.997 6.333 1.00 0.00 O ATOM 1298 CB ASP A 87 -11.008 -3.903 4.999 1.00 0.00 C ATOM 1299 CG ASP A 87 -11.632 -3.896 6.381 1.00 0.00 C ATOM 1300 OD1 ASP A 87 -12.736 -3.335 6.529 1.00 0.00 O ATOM 1301 OD2 ASP A 87 -11.015 -4.452 7.314 1.00 0.00 O ATOM 0 H ASP A 87 -9.487 -3.476 3.108 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.671 -2.069 4.101 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.669 -4.425 4.308 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.073 -4.462 5.029 1.00 0.00 H new ATOM 1306 N ASN A 88 -8.899 -1.539 5.734 1.00 0.00 N ATOM 1307 CA ASN A 88 -8.275 -0.729 6.774 1.00 0.00 C ATOM 1308 C ASN A 88 -8.349 0.754 6.424 1.00 0.00 C ATOM 1309 O ASN A 88 -8.903 1.554 7.178 1.00 0.00 O ATOM 1310 CB ASN A 88 -6.817 -1.147 6.969 1.00 0.00 C ATOM 1311 CG ASN A 88 -6.675 -2.331 7.907 1.00 0.00 C ATOM 1312 OD1 ASN A 88 -5.856 -2.315 8.826 1.00 0.00 O ATOM 1313 ND2 ASN A 88 -7.474 -3.366 7.677 1.00 0.00 N ATOM 0 H ASN A 88 -8.240 -2.036 5.135 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.819 -0.893 7.704 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.382 -1.399 6.002 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.250 -0.304 7.364 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.424 -4.192 8.274 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.138 -3.336 6.903 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.786 1.114 5.274 1.00 0.00 N ATOM 1321 CA VAL A 89 -7.789 2.501 4.823 1.00 0.00 C ATOM 1322 C VAL A 89 -9.212 3.025 4.668 1.00 0.00 C ATOM 1323 O VAL A 89 -9.468 4.215 4.844 1.00 0.00 O ATOM 1324 CB VAL A 89 -7.048 2.656 3.482 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -5.651 2.058 3.572 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -7.841 2.012 2.357 1.00 0.00 C ATOM 0 H VAL A 89 -7.322 0.465 4.638 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.271 3.083 5.585 1.00 0.00 H new ATOM 0 HB VAL A 89 -6.949 3.719 3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.142 2.177 2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.085 2.571 4.350 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.724 0.998 3.815 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.302 2.131 1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.974 0.951 2.567 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.817 2.491 2.279 1.00 0.00 H new ATOM 1336 N GLN A 90 -10.136 2.127 4.337 1.00 0.00 N ATOM 1337 CA GLN A 90 -11.533 2.500 4.158 1.00 0.00 C ATOM 1338 C GLN A 90 -12.222 2.692 5.504 1.00 0.00 C ATOM 1339 O GLN A 90 -13.159 3.481 5.628 1.00 0.00 O ATOM 1340 CB GLN A 90 -12.267 1.433 3.343 1.00 0.00 C ATOM 1341 CG GLN A 90 -11.911 1.446 1.865 1.00 0.00 C ATOM 1342 CD GLN A 90 -11.976 2.835 1.260 1.00 0.00 C ATOM 1343 OE1 GLN A 90 -11.075 3.251 0.532 1.00 0.00 O ATOM 1344 NE2 GLN A 90 -13.046 3.562 1.560 1.00 0.00 N ATOM 0 H GLN A 90 -9.941 1.137 4.188 1.00 0.00 H new ATOM 0 HA GLN A 90 -11.564 3.446 3.617 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -12.037 0.450 3.755 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -13.342 1.580 3.451 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.907 1.044 1.734 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.591 0.787 1.326 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -13.770 3.178 2.168 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -13.144 4.505 1.183 1.00 0.00 H new ATOM 1353 N VAL A 91 -11.753 1.963 6.513 1.00 0.00 N ATOM 1354 CA VAL A 91 -12.324 2.055 7.851 1.00 0.00 C ATOM 1355 C VAL A 91 -11.798 3.278 8.592 1.00 0.00 C ATOM 1356 O VAL A 91 -12.565 4.037 9.183 1.00 0.00 O ATOM 1357 CB VAL A 91 -12.014 0.794 8.680 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -12.110 1.095 10.168 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -12.953 -0.341 8.296 1.00 0.00 C ATOM 0 H VAL A 91 -10.980 1.303 6.428 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.403 2.146 7.728 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.993 0.480 8.462 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.888 0.192 10.737 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.393 1.874 10.429 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.118 1.435 10.406 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.720 -1.224 8.891 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.984 -0.039 8.483 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.829 -0.574 7.238 1.00 0.00 H new ATOM 1369 N VAL A 92 -10.482 3.464 8.556 1.00 0.00 N ATOM 1370 CA VAL A 92 -9.852 4.597 9.222 1.00 0.00 C ATOM 1371 C VAL A 92 -10.491 5.914 8.791 1.00 0.00 C ATOM 1372 O VAL A 92 -10.780 6.776 9.621 1.00 0.00 O ATOM 1373 CB VAL A 92 -8.341 4.652 8.928 1.00 0.00 C ATOM 1374 CG1 VAL A 92 -8.088 4.637 7.427 1.00 0.00 C ATOM 1375 CG2 VAL A 92 -7.718 5.883 9.568 1.00 0.00 C ATOM 0 H VAL A 92 -9.832 2.844 8.072 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.002 4.457 10.293 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.872 3.768 9.361 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.015 4.676 7.238 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.499 3.723 6.998 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.569 5.501 6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.650 5.906 9.350 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.189 6.780 9.166 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.867 5.847 10.647 1.00 0.00 H new ATOM 1385 N LEU A 93 -10.708 6.060 7.489 1.00 0.00 N ATOM 1386 CA LEU A 93 -11.314 7.272 6.947 1.00 0.00 C ATOM 1387 C LEU A 93 -12.811 7.307 7.234 1.00 0.00 C ATOM 1388 O LEU A 93 -13.413 8.378 7.309 1.00 0.00 O ATOM 1389 CB LEU A 93 -11.070 7.356 5.439 1.00 0.00 C ATOM 1390 CG LEU A 93 -12.090 6.639 4.553 1.00 0.00 C ATOM 1391 CD1 LEU A 93 -13.242 7.568 4.204 1.00 0.00 C ATOM 1392 CD2 LEU A 93 -11.423 6.116 3.289 1.00 0.00 C ATOM 0 H LEU A 93 -10.474 5.356 6.789 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.850 8.130 7.433 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -11.046 8.408 5.153 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.083 6.945 5.227 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.491 5.790 5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -13.957 7.040 3.573 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.737 7.894 5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.859 8.437 3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.163 5.609 2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.994 6.949 2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.633 5.415 3.558 1.00 0.00 H new ATOM 1404 N GLN A 94 -13.406 6.129 7.395 1.00 0.00 N ATOM 1405 CA GLN A 94 -14.833 6.026 7.676 1.00 0.00 C ATOM 1406 C GLN A 94 -15.156 6.575 9.062 1.00 0.00 C ATOM 1407 O GLN A 94 -16.283 6.991 9.328 1.00 0.00 O ATOM 1408 CB GLN A 94 -15.292 4.571 7.571 1.00 0.00 C ATOM 1409 CG GLN A 94 -16.682 4.328 8.137 1.00 0.00 C ATOM 1410 CD GLN A 94 -17.124 2.886 7.998 1.00 0.00 C ATOM 1411 OE1 GLN A 94 -18.246 2.607 7.573 1.00 0.00 O ATOM 1412 NE2 GLN A 94 -16.244 1.959 8.358 1.00 0.00 N ATOM 0 H GLN A 94 -12.922 5.233 7.336 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.367 6.622 6.936 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -15.278 4.269 6.524 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -14.579 3.935 8.096 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -16.695 4.608 9.190 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -17.396 4.974 7.626 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -15.325 2.235 8.705 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -16.487 0.971 8.288 1.00 0.00 H new ATOM 1421 N GLN A 95 -14.159 6.571 9.942 1.00 0.00 N ATOM 1422 CA GLN A 95 -14.339 7.067 11.301 1.00 0.00 C ATOM 1423 C GLN A 95 -14.276 8.591 11.337 1.00 0.00 C ATOM 1424 O GLN A 95 -14.975 9.234 12.121 1.00 0.00 O ATOM 1425 CB GLN A 95 -13.272 6.479 12.226 1.00 0.00 C ATOM 1426 CG GLN A 95 -13.178 4.963 12.160 1.00 0.00 C ATOM 1427 CD GLN A 95 -12.716 4.350 13.467 1.00 0.00 C ATOM 1428 OE1 GLN A 95 -13.527 4.025 14.335 1.00 0.00 O ATOM 1429 NE2 GLN A 95 -11.406 4.188 13.615 1.00 0.00 N ATOM 0 H GLN A 95 -13.220 6.230 9.738 1.00 0.00 H new ATOM 0 HA GLN A 95 -15.324 6.754 11.648 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.303 6.906 11.967 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.488 6.777 13.252 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.153 4.553 11.895 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.487 4.680 11.366 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -10.770 4.471 12.870 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.036 3.780 14.474 1.00 0.00 H new ATOM 1438 N THR A 96 -13.434 9.164 10.483 1.00 0.00 N ATOM 1439 CA THR A 96 -13.278 10.611 10.418 1.00 0.00 C ATOM 1440 C THR A 96 -14.312 11.234 9.486 1.00 0.00 C ATOM 1441 O THR A 96 -14.759 12.361 9.702 1.00 0.00 O ATOM 1442 CB THR A 96 -11.868 11.004 9.939 1.00 0.00 C ATOM 1443 OG1 THR A 96 -11.648 12.402 10.160 1.00 0.00 O ATOM 1444 CG2 THR A 96 -11.690 10.685 8.462 1.00 0.00 C ATOM 0 H THR A 96 -12.849 8.647 9.826 1.00 0.00 H new ATOM 0 HA THR A 96 -13.428 10.991 11.429 1.00 0.00 H new ATOM 0 HB THR A 96 -11.140 10.427 10.509 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.749 12.644 9.854 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.687 10.971 8.146 1.00 0.00 H new ATOM 0 HG22 THR A 96 -11.830 9.616 8.301 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.426 11.239 7.879 1.00 0.00 H new ATOM 1452 N TYR A 97 -14.686 10.494 8.447 1.00 0.00 N ATOM 1453 CA TYR A 97 -15.666 10.976 7.480 1.00 0.00 C ATOM 1454 C TYR A 97 -17.063 10.464 7.820 1.00 0.00 C ATOM 1455 O TYR A 97 -18.009 11.240 7.936 1.00 0.00 O ATOM 1456 CB TYR A 97 -15.278 10.535 6.068 1.00 0.00 C ATOM 1457 CG TYR A 97 -14.171 11.364 5.457 1.00 0.00 C ATOM 1458 CD1 TYR A 97 -14.428 12.626 4.935 1.00 0.00 C ATOM 1459 CD2 TYR A 97 -12.867 10.887 5.405 1.00 0.00 C ATOM 1460 CE1 TYR A 97 -13.420 13.387 4.376 1.00 0.00 C ATOM 1461 CE2 TYR A 97 -11.852 11.642 4.849 1.00 0.00 C ATOM 1462 CZ TYR A 97 -12.133 12.891 4.335 1.00 0.00 C ATOM 1463 OH TYR A 97 -11.126 13.646 3.781 1.00 0.00 O ATOM 0 H TYR A 97 -14.326 9.560 8.253 1.00 0.00 H new ATOM 0 HA TYR A 97 -15.678 12.065 7.523 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -14.966 9.491 6.096 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -16.157 10.588 5.426 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -15.434 13.019 4.967 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.643 9.910 5.806 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -13.638 14.365 3.973 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.844 11.256 4.817 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.519 13.950 4.487 1.00 0.00 H new ATOM 1473 N GLY A 98 -17.181 9.148 7.977 1.00 0.00 N ATOM 1474 CA GLY A 98 -18.465 8.554 8.301 1.00 0.00 C ATOM 1475 C GLY A 98 -18.931 7.570 7.245 1.00 0.00 C ATOM 1476 O GLY A 98 -19.788 6.727 7.509 1.00 0.00 O ATOM 0 H GLY A 98 -16.412 8.484 7.886 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.394 8.045 9.262 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -19.209 9.343 8.412 1.00 0.00 H new ATOM 1480 N SER A 99 -18.368 7.679 6.047 1.00 0.00 N ATOM 1481 CA SER A 99 -18.735 6.796 4.946 1.00 0.00 C ATOM 1482 C SER A 99 -17.504 6.098 4.376 1.00 0.00 C ATOM 1483 O SER A 99 -16.409 6.190 4.932 1.00 0.00 O ATOM 1484 CB SER A 99 -19.443 7.587 3.844 1.00 0.00 C ATOM 1485 OG SER A 99 -20.367 6.772 3.145 1.00 0.00 O ATOM 0 H SER A 99 -17.655 8.370 5.813 1.00 0.00 H new ATOM 0 HA SER A 99 -19.415 6.037 5.333 1.00 0.00 H new ATOM 0 HB2 SER A 99 -19.963 8.440 4.281 1.00 0.00 H new ATOM 0 HB3 SER A 99 -18.706 7.986 3.147 1.00 0.00 H new ATOM 0 HG SER A 99 -20.807 7.301 2.447 1.00 0.00 H new ATOM 1491 N THR A 100 -17.693 5.396 3.263 1.00 0.00 N ATOM 1492 CA THR A 100 -16.600 4.680 2.617 1.00 0.00 C ATOM 1493 C THR A 100 -16.649 4.853 1.103 1.00 0.00 C ATOM 1494 O THR A 100 -17.516 5.549 0.574 1.00 0.00 O ATOM 1495 CB THR A 100 -16.637 3.177 2.953 1.00 0.00 C ATOM 1496 OG1 THR A 100 -17.902 2.622 2.575 1.00 0.00 O ATOM 1497 CG2 THR A 100 -16.401 2.948 4.438 1.00 0.00 C ATOM 0 H THR A 100 -18.593 5.308 2.790 1.00 0.00 H new ATOM 0 HA THR A 100 -15.673 5.107 2.999 1.00 0.00 H new ATOM 0 HB THR A 100 -15.842 2.683 2.395 1.00 0.00 H new ATOM 0 HG1 THR A 100 -17.917 1.666 2.790 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.432 1.879 4.651 1.00 0.00 H new ATOM 0 HG22 THR A 100 -15.425 3.346 4.717 1.00 0.00 H new ATOM 0 HG23 THR A 100 -17.177 3.455 5.012 1.00 0.00 H new ATOM 1505 N LEU A 101 -15.713 4.214 0.409 1.00 0.00 N ATOM 1506 CA LEU A 101 -15.649 4.296 -1.045 1.00 0.00 C ATOM 1507 C LEU A 101 -16.104 2.989 -1.685 1.00 0.00 C ATOM 1508 O LEU A 101 -16.063 1.930 -1.058 1.00 0.00 O ATOM 1509 CB LEU A 101 -14.225 4.629 -1.496 1.00 0.00 C ATOM 1510 CG LEU A 101 -13.663 5.965 -1.011 1.00 0.00 C ATOM 1511 CD1 LEU A 101 -12.144 5.959 -1.073 1.00 0.00 C ATOM 1512 CD2 LEU A 101 -14.228 7.112 -1.838 1.00 0.00 C ATOM 0 H LEU A 101 -14.988 3.633 0.831 1.00 0.00 H new ATOM 0 HA LEU A 101 -16.321 5.091 -1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -13.562 3.834 -1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.199 4.621 -2.586 1.00 0.00 H new ATOM 0 HG LEU A 101 -13.963 6.109 0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -11.762 6.918 -0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -11.757 5.162 -0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -11.822 5.793 -2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -13.817 8.056 -1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -13.958 6.973 -2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -15.314 7.129 -1.743 1.00 0.00 H new ATOM 1524 N LYS A 102 -16.537 3.068 -2.939 1.00 0.00 N ATOM 1525 CA LYS A 102 -16.997 1.891 -3.666 1.00 0.00 C ATOM 1526 C LYS A 102 -15.851 1.248 -4.441 1.00 0.00 C ATOM 1527 O LYS A 102 -15.120 1.925 -5.164 1.00 0.00 O ATOM 1528 CB LYS A 102 -18.127 2.270 -4.627 1.00 0.00 C ATOM 1529 CG LYS A 102 -18.670 1.094 -5.421 1.00 0.00 C ATOM 1530 CD LYS A 102 -19.863 0.457 -4.728 1.00 0.00 C ATOM 1531 CE LYS A 102 -19.445 -0.290 -3.472 1.00 0.00 C ATOM 1532 NZ LYS A 102 -20.446 -1.323 -3.081 1.00 0.00 N ATOM 0 H LYS A 102 -16.579 3.936 -3.473 1.00 0.00 H new ATOM 0 HA LYS A 102 -17.371 1.169 -2.940 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -18.941 2.720 -4.058 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -17.764 3.029 -5.320 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -18.962 1.430 -6.416 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -17.885 0.350 -5.554 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -20.589 1.228 -4.469 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -20.359 -0.231 -5.413 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -18.478 -0.765 -3.637 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -19.316 0.419 -2.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -20.124 -1.810 -2.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -21.363 -0.867 -2.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -20.551 -2.014 -3.851 1.00 0.00 H new ATOM 1546 N VAL A 103 -15.701 -0.064 -4.286 1.00 0.00 N ATOM 1547 CA VAL A 103 -14.646 -0.799 -4.972 1.00 0.00 C ATOM 1548 C VAL A 103 -15.226 -1.737 -6.026 1.00 0.00 C ATOM 1549 O VAL A 103 -15.256 -2.953 -5.841 1.00 0.00 O ATOM 1550 CB VAL A 103 -13.797 -1.619 -3.983 1.00 0.00 C ATOM 1551 CG1 VAL A 103 -14.684 -2.527 -3.145 1.00 0.00 C ATOM 1552 CG2 VAL A 103 -12.744 -2.426 -4.725 1.00 0.00 C ATOM 0 H VAL A 103 -16.297 -0.639 -3.691 1.00 0.00 H new ATOM 0 HA VAL A 103 -14.010 -0.059 -5.458 1.00 0.00 H new ATOM 0 HB VAL A 103 -13.285 -0.929 -3.312 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -14.067 -3.099 -2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -15.396 -1.922 -2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.225 -3.211 -3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -12.154 -2.999 -4.010 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -13.232 -3.108 -5.421 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -12.090 -1.751 -5.277 1.00 0.00 H new ATOM 1562 N THR A 104 -15.684 -1.162 -7.134 1.00 0.00 N ATOM 1563 CA THR A 104 -16.264 -1.946 -8.218 1.00 0.00 C ATOM 1564 C THR A 104 -15.192 -2.743 -8.953 1.00 0.00 C ATOM 1565 O THR A 104 -15.348 -3.940 -9.189 1.00 0.00 O ATOM 1566 CB THR A 104 -17.003 -1.047 -9.227 1.00 0.00 C ATOM 1567 OG1 THR A 104 -16.166 0.049 -9.612 1.00 0.00 O ATOM 1568 CG2 THR A 104 -18.299 -0.517 -8.632 1.00 0.00 C ATOM 0 H THR A 104 -15.665 -0.156 -7.304 1.00 0.00 H new ATOM 0 HA THR A 104 -16.978 -2.634 -7.765 1.00 0.00 H new ATOM 0 HB THR A 104 -17.243 -1.646 -10.105 1.00 0.00 H new ATOM 0 HG1 THR A 104 -16.643 0.615 -10.255 1.00 0.00 H new ATOM 0 HG21 THR A 104 -18.803 0.115 -9.363 1.00 0.00 H new ATOM 0 HG22 THR A 104 -18.946 -1.353 -8.367 1.00 0.00 H new ATOM 0 HG23 THR A 104 -18.077 0.067 -7.739 1.00 0.00 H new TER 1576 THR A 104