USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 923 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 88 MET CE :methyl 158:sc= -0.03 (180deg=-0.00792) USER MOD Set 1.2: A 104 ASN : amide:sc= -0.266 K(o=-0.3,f=-2.8!) USER MOD Set 2.1: A 89 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 109 TYR OH : rot 180:sc= -0.0152 USER MOD Set 3.1: A 74 SER OG : rot -70:sc= 0.726 USER MOD Set 3.2: A 99 ASN : amide:sc= -0.0963 X(o=0.63,f=0.47) USER MOD Set 4.1: A 49 THR OG1 : rot 180:sc= 0.171 USER MOD Set 4.2: A 52 CYS SG : rot 99:sc= 0.18 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0171 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 22 TYR OH : rot 60:sc= -0.381 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -137:sc= -2.29! (180deg=-6.25!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -131:sc= -0.528 (180deg=-1.51!) USER MOD Single : A 36 ASN : amide:sc= -0.216 K(o=-0.22,f=-2.9!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 142:sc= -0.43 (180deg=-3.66!) USER MOD Single : A 45 ASN : amide:sc= -0.712 K(o=-0.71,f=0) USER MOD Single : A 46 HIS : no HE2:sc= -8.25! C(o=-8.2!,f=-11!) USER MOD Single : A 47 CYS SG : rot -103:sc= 0.546 USER MOD Single : A 51 ASN : amide:sc= -1.19 K(o=-1.2,f=-0.28) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.66 K(o=0.66,f=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -1.37 K(o=-1.4,f=-0.06) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 MET CE :methyl -169:sc= 0 (180deg=-0.118) USER MOD Single : A 75 SER OG : rot 45:sc= 0.229 USER MOD Single : A 78 ASN : amide:sc= -0.191 K(o=-0.19,f=-2.4!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.0184 K(o=-0.018,f=-1.2!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 109:sc=0.000754 USER MOD Single : A 96 THR OG1 : rot 55:sc= -0.117 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -140:sc= -0.077 USER MOD Single : A 118 CYS SG : rot 11:sc= 0.376 USER MOD Single : A 121 ASN : amide:sc= -0.0835 K(o=-0.084,f=-1.5!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0.0174 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.124 11.413 20.150 1.00 0.00 N ATOM 2 CA GLY A 1 -9.706 11.716 20.222 1.00 0.00 C ATOM 3 C GLY A 1 -9.046 11.731 18.858 1.00 0.00 C ATOM 4 O GLY A 1 -9.118 10.752 18.115 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.528 11.415 21.108 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.603 12.131 19.570 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.257 10.476 19.720 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.569 12.686 20.699 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.212 10.978 20.853 1.00 0.00 H new ATOM 8 N SER A 2 -8.402 12.845 18.526 1.00 0.00 N ATOM 9 CA SER A 2 -7.731 12.986 17.239 1.00 0.00 C ATOM 10 C SER A 2 -6.403 13.721 17.396 1.00 0.00 C ATOM 11 O SER A 2 -6.101 14.260 18.461 1.00 0.00 O ATOM 12 CB SER A 2 -8.627 13.735 16.251 1.00 0.00 C ATOM 13 OG SER A 2 -9.736 12.940 15.865 1.00 0.00 O ATOM 0 H SER A 2 -8.331 13.663 19.131 1.00 0.00 H new ATOM 0 HA SER A 2 -7.530 11.987 16.851 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.980 14.661 16.705 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.049 14.012 15.369 1.00 0.00 H new ATOM 0 HG SER A 2 -10.294 13.441 15.235 1.00 0.00 H new ATOM 19 N SER A 3 -5.613 13.738 16.327 1.00 0.00 N ATOM 20 CA SER A 3 -4.315 14.402 16.346 1.00 0.00 C ATOM 21 C SER A 3 -3.737 14.504 14.938 1.00 0.00 C ATOM 22 O SER A 3 -4.170 13.803 14.025 1.00 0.00 O ATOM 23 CB SER A 3 -3.345 13.647 17.256 1.00 0.00 C ATOM 24 OG SER A 3 -2.367 14.520 17.795 1.00 0.00 O ATOM 0 H SER A 3 -5.849 13.299 15.437 1.00 0.00 H new ATOM 0 HA SER A 3 -4.456 15.410 16.736 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.897 13.170 18.066 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.856 12.852 16.692 1.00 0.00 H new ATOM 0 HG SER A 3 -1.760 14.014 18.374 1.00 0.00 H new ATOM 30 N GLY A 4 -2.753 15.383 14.771 1.00 0.00 N ATOM 31 CA GLY A 4 -2.130 15.562 13.473 1.00 0.00 C ATOM 32 C GLY A 4 -1.020 16.594 13.499 1.00 0.00 C ATOM 33 O GLY A 4 -1.282 17.797 13.493 1.00 0.00 O ATOM 0 H GLY A 4 -2.376 15.974 15.512 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.727 14.608 13.132 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.887 15.865 12.749 1.00 0.00 H new ATOM 37 N SER A 5 0.223 16.123 13.530 1.00 0.00 N ATOM 38 CA SER A 5 1.377 17.014 13.563 1.00 0.00 C ATOM 39 C SER A 5 2.088 17.033 12.214 1.00 0.00 C ATOM 40 O SER A 5 2.433 15.985 11.667 1.00 0.00 O ATOM 41 CB SER A 5 2.351 16.581 14.660 1.00 0.00 C ATOM 42 OG SER A 5 1.890 16.980 15.939 1.00 0.00 O ATOM 0 H SER A 5 0.456 15.130 13.533 1.00 0.00 H new ATOM 0 HA SER A 5 1.021 18.021 13.780 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.473 15.498 14.636 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.332 17.016 14.472 1.00 0.00 H new ATOM 0 HG SER A 5 2.530 16.690 16.622 1.00 0.00 H new ATOM 48 N SER A 6 2.303 18.232 11.682 1.00 0.00 N ATOM 49 CA SER A 6 2.970 18.388 10.394 1.00 0.00 C ATOM 50 C SER A 6 4.482 18.256 10.546 1.00 0.00 C ATOM 51 O SER A 6 5.093 17.332 10.010 1.00 0.00 O ATOM 52 CB SER A 6 2.625 19.745 9.779 1.00 0.00 C ATOM 53 OG SER A 6 2.767 19.717 8.369 1.00 0.00 O ATOM 0 H SER A 6 2.025 19.109 12.122 1.00 0.00 H new ATOM 0 HA SER A 6 2.618 17.597 9.732 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.602 20.016 10.039 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.275 20.513 10.198 1.00 0.00 H new ATOM 0 HG SER A 6 2.539 20.596 8.000 1.00 0.00 H new ATOM 59 N GLY A 7 5.081 19.188 11.281 1.00 0.00 N ATOM 60 CA GLY A 7 6.517 19.158 11.491 1.00 0.00 C ATOM 61 C GLY A 7 7.143 20.536 11.409 1.00 0.00 C ATOM 62 O GLY A 7 6.438 21.545 11.381 1.00 0.00 O ATOM 0 H GLY A 7 4.598 19.963 11.735 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.729 18.723 12.468 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.977 18.508 10.746 1.00 0.00 H new ATOM 66 N ARG A 8 8.471 20.580 11.371 1.00 0.00 N ATOM 67 CA ARG A 8 9.192 21.845 11.295 1.00 0.00 C ATOM 68 C ARG A 8 9.144 22.413 9.880 1.00 0.00 C ATOM 69 O ARG A 8 8.544 23.461 9.641 1.00 0.00 O ATOM 70 CB ARG A 8 10.646 21.654 11.731 1.00 0.00 C ATOM 71 CG ARG A 8 11.404 22.959 11.909 1.00 0.00 C ATOM 72 CD ARG A 8 12.682 22.757 12.709 1.00 0.00 C ATOM 73 NE ARG A 8 12.448 22.855 14.147 1.00 0.00 N ATOM 74 CZ ARG A 8 12.111 23.983 14.762 1.00 0.00 C ATOM 75 NH1 ARG A 8 11.968 25.103 14.067 1.00 0.00 N ATOM 76 NH2 ARG A 8 11.915 23.993 16.074 1.00 0.00 N ATOM 0 H ARG A 8 9.069 19.754 11.392 1.00 0.00 H new ATOM 0 HA ARG A 8 8.708 22.552 11.968 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.665 21.101 12.670 1.00 0.00 H new ATOM 0 HB3 ARG A 8 11.161 21.042 10.990 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.647 23.376 10.932 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.767 23.685 12.415 1.00 0.00 H new ATOM 0 HD2 ARG A 8 13.105 21.780 12.476 1.00 0.00 H new ATOM 0 HD3 ARG A 8 13.419 23.503 12.410 1.00 0.00 H new ATOM 0 HE ARG A 8 12.549 22.011 14.710 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.117 25.100 13.058 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.709 25.968 14.541 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.023 23.133 16.612 1.00 0.00 H new ATOM 0 HH22 ARG A 8 11.656 24.860 16.544 1.00 0.00 H new ATOM 90 N SER A 9 9.782 21.715 8.946 1.00 0.00 N ATOM 91 CA SER A 9 9.816 22.153 7.555 1.00 0.00 C ATOM 92 C SER A 9 8.954 21.248 6.679 1.00 0.00 C ATOM 93 O SER A 9 8.350 20.290 7.164 1.00 0.00 O ATOM 94 CB SER A 9 11.255 22.163 7.037 1.00 0.00 C ATOM 95 OG SER A 9 11.397 23.052 5.943 1.00 0.00 O ATOM 0 H SER A 9 10.282 20.845 9.127 1.00 0.00 H new ATOM 0 HA SER A 9 9.413 23.165 7.508 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.932 22.458 7.839 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.542 21.157 6.732 1.00 0.00 H new ATOM 0 HG SER A 9 12.326 23.041 5.631 1.00 0.00 H new ATOM 101 N ILE A 10 8.904 21.558 5.388 1.00 0.00 N ATOM 102 CA ILE A 10 8.118 20.773 4.445 1.00 0.00 C ATOM 103 C ILE A 10 8.952 20.375 3.232 1.00 0.00 C ATOM 104 O ILE A 10 9.105 21.151 2.289 1.00 0.00 O ATOM 105 CB ILE A 10 6.875 21.547 3.967 1.00 0.00 C ATOM 106 CG1 ILE A 10 6.140 22.162 5.160 1.00 0.00 C ATOM 107 CG2 ILE A 10 5.948 20.629 3.183 1.00 0.00 C ATOM 108 CD1 ILE A 10 6.721 23.483 5.612 1.00 0.00 C ATOM 0 H ILE A 10 9.398 22.347 4.971 1.00 0.00 H new ATOM 0 HA ILE A 10 7.797 19.875 4.973 1.00 0.00 H new ATOM 0 HB ILE A 10 7.198 22.353 3.309 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.092 22.307 4.896 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.165 21.459 5.993 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.074 21.191 2.852 1.00 0.00 H new ATOM 0 HG22 ILE A 10 6.476 20.234 2.315 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.629 19.804 3.820 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.150 23.860 6.461 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.760 23.341 5.908 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.672 24.201 4.794 1.00 0.00 H new ATOM 120 N ARG A 11 9.488 19.159 3.263 1.00 0.00 N ATOM 121 CA ARG A 11 10.306 18.657 2.166 1.00 0.00 C ATOM 122 C ARG A 11 9.431 18.148 1.024 1.00 0.00 C ATOM 123 O ARG A 11 9.763 18.319 -0.150 1.00 0.00 O ATOM 124 CB ARG A 11 11.224 17.536 2.658 1.00 0.00 C ATOM 125 CG ARG A 11 12.268 17.999 3.660 1.00 0.00 C ATOM 126 CD ARG A 11 13.526 17.148 3.587 1.00 0.00 C ATOM 127 NE ARG A 11 13.394 15.909 4.348 1.00 0.00 N ATOM 128 CZ ARG A 11 14.182 14.853 4.176 1.00 0.00 C ATOM 129 NH1 ARG A 11 15.152 14.886 3.274 1.00 0.00 N ATOM 130 NH2 ARG A 11 13.999 13.761 4.907 1.00 0.00 N ATOM 0 H ARG A 11 9.370 18.504 4.036 1.00 0.00 H new ATOM 0 HA ARG A 11 10.916 19.480 1.794 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.616 16.754 3.114 1.00 0.00 H new ATOM 0 HB3 ARG A 11 11.728 17.089 1.801 1.00 0.00 H new ATOM 0 HG2 ARG A 11 12.521 19.042 3.468 1.00 0.00 H new ATOM 0 HG3 ARG A 11 11.853 17.952 4.667 1.00 0.00 H new ATOM 0 HD2 ARG A 11 13.744 16.912 2.545 1.00 0.00 H new ATOM 0 HD3 ARG A 11 14.372 17.719 3.968 1.00 0.00 H new ATOM 0 HE ARG A 11 12.656 15.851 5.050 1.00 0.00 H new ATOM 0 HH11 ARG A 11 15.295 15.723 2.710 1.00 0.00 H new ATOM 0 HH12 ARG A 11 15.755 14.074 3.144 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.253 13.732 5.602 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.604 12.951 4.774 1.00 0.00 H new ATOM 144 N LEU A 12 8.313 17.523 1.375 1.00 0.00 N ATOM 145 CA LEU A 12 7.390 16.989 0.380 1.00 0.00 C ATOM 146 C LEU A 12 6.791 18.110 -0.464 1.00 0.00 C ATOM 147 O LEU A 12 6.762 19.273 -0.064 1.00 0.00 O ATOM 148 CB LEU A 12 6.274 16.197 1.063 1.00 0.00 C ATOM 149 CG LEU A 12 6.609 14.754 1.441 1.00 0.00 C ATOM 150 CD1 LEU A 12 6.595 13.863 0.209 1.00 0.00 C ATOM 151 CD2 LEU A 12 7.961 14.685 2.136 1.00 0.00 C ATOM 0 H LEU A 12 8.024 17.373 2.342 1.00 0.00 H new ATOM 0 HA LEU A 12 7.949 16.323 -0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.979 16.729 1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.407 16.186 0.403 1.00 0.00 H new ATOM 0 HG LEU A 12 5.848 14.394 2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.836 12.840 0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.605 13.888 -0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.334 14.221 -0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.183 13.651 2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.734 15.064 1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.936 15.291 3.042 1.00 0.00 H new ATOM 163 N PRO A 13 6.300 17.752 -1.660 1.00 0.00 N ATOM 164 CA PRO A 13 5.690 18.713 -2.584 1.00 0.00 C ATOM 165 C PRO A 13 4.348 19.232 -2.079 1.00 0.00 C ATOM 166 O PRO A 13 3.340 18.528 -2.132 1.00 0.00 O ATOM 167 CB PRO A 13 5.499 17.899 -3.867 1.00 0.00 C ATOM 168 CG PRO A 13 5.410 16.484 -3.408 1.00 0.00 C ATOM 169 CD PRO A 13 6.302 16.383 -2.202 1.00 0.00 C ATOM 0 HA PRO A 13 6.308 19.602 -2.714 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.595 18.201 -4.397 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.333 18.041 -4.554 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.383 16.219 -3.157 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.734 15.799 -4.191 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.919 15.664 -1.478 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.307 16.059 -2.472 1.00 0.00 H new ATOM 177 N GLU A 14 4.343 20.467 -1.589 1.00 0.00 N ATOM 178 CA GLU A 14 3.124 21.079 -1.073 1.00 0.00 C ATOM 179 C GLU A 14 2.020 21.064 -2.127 1.00 0.00 C ATOM 180 O GLU A 14 0.833 21.063 -1.799 1.00 0.00 O ATOM 181 CB GLU A 14 3.398 22.517 -0.627 1.00 0.00 C ATOM 182 CG GLU A 14 3.951 23.402 -1.731 1.00 0.00 C ATOM 183 CD GLU A 14 3.707 24.877 -1.473 1.00 0.00 C ATOM 184 OE1 GLU A 14 2.549 25.320 -1.618 1.00 0.00 O ATOM 185 OE2 GLU A 14 4.675 25.587 -1.127 1.00 0.00 O ATOM 0 H GLU A 14 5.169 21.064 -1.538 1.00 0.00 H new ATOM 0 HA GLU A 14 2.791 20.497 -0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.473 22.954 -0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.104 22.503 0.203 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.022 23.227 -1.830 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.493 23.122 -2.680 1.00 0.00 H new ATOM 192 N THR A 15 2.420 21.053 -3.394 1.00 0.00 N ATOM 193 CA THR A 15 1.467 21.039 -4.497 1.00 0.00 C ATOM 194 C THR A 15 0.865 19.651 -4.686 1.00 0.00 C ATOM 195 O THR A 15 0.146 19.403 -5.655 1.00 0.00 O ATOM 196 CB THR A 15 2.126 21.484 -5.816 1.00 0.00 C ATOM 197 OG1 THR A 15 3.374 20.805 -5.993 1.00 0.00 O ATOM 198 CG2 THR A 15 2.356 22.988 -5.825 1.00 0.00 C ATOM 0 H THR A 15 3.398 21.054 -3.682 1.00 0.00 H new ATOM 0 HA THR A 15 0.676 21.743 -4.239 1.00 0.00 H new ATOM 0 HB THR A 15 1.455 21.230 -6.636 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.786 21.092 -6.835 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.822 23.279 -6.766 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.401 23.503 -5.719 1.00 0.00 H new ATOM 0 HG23 THR A 15 3.010 23.261 -4.997 1.00 0.00 H new ATOM 206 N ILE A 16 1.162 18.751 -3.755 1.00 0.00 N ATOM 207 CA ILE A 16 0.648 17.388 -3.820 1.00 0.00 C ATOM 208 C ILE A 16 0.221 16.896 -2.441 1.00 0.00 C ATOM 209 O ILE A 16 0.693 17.395 -1.419 1.00 0.00 O ATOM 210 CB ILE A 16 1.695 16.418 -4.398 1.00 0.00 C ATOM 211 CG1 ILE A 16 2.335 17.014 -5.653 1.00 0.00 C ATOM 212 CG2 ILE A 16 1.055 15.073 -4.710 1.00 0.00 C ATOM 213 CD1 ILE A 16 3.467 16.178 -6.209 1.00 0.00 C ATOM 0 H ILE A 16 1.755 18.940 -2.947 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.219 17.408 -4.481 1.00 0.00 H new ATOM 0 HB ILE A 16 2.476 16.263 -3.654 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.570 17.132 -6.420 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.710 18.011 -5.421 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.807 14.398 -5.118 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.642 14.646 -3.796 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.257 15.210 -5.440 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.873 16.661 -7.098 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.251 16.082 -5.458 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.093 15.189 -6.472 1.00 0.00 H new ATOM 225 N ASP A 17 -0.672 15.913 -2.420 1.00 0.00 N ATOM 226 CA ASP A 17 -1.160 15.350 -1.166 1.00 0.00 C ATOM 227 C ASP A 17 -1.016 13.831 -1.160 1.00 0.00 C ATOM 228 O ASP A 17 -1.726 13.127 -1.879 1.00 0.00 O ATOM 229 CB ASP A 17 -2.623 15.737 -0.944 1.00 0.00 C ATOM 230 CG ASP A 17 -3.092 15.443 0.467 1.00 0.00 C ATOM 231 OD1 ASP A 17 -2.231 15.315 1.363 1.00 0.00 O ATOM 232 OD2 ASP A 17 -4.319 15.342 0.676 1.00 0.00 O ATOM 0 H ASP A 17 -1.073 15.489 -3.257 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.557 15.757 -0.354 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.750 16.799 -1.152 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.250 15.196 -1.652 1.00 0.00 H new ATOM 237 N LEU A 18 -0.093 13.333 -0.346 1.00 0.00 N ATOM 238 CA LEU A 18 0.146 11.897 -0.246 1.00 0.00 C ATOM 239 C LEU A 18 -1.171 11.128 -0.212 1.00 0.00 C ATOM 240 O LEU A 18 -1.367 10.180 -0.971 1.00 0.00 O ATOM 241 CB LEU A 18 0.967 11.582 1.005 1.00 0.00 C ATOM 242 CG LEU A 18 2.485 11.555 0.823 1.00 0.00 C ATOM 243 CD1 LEU A 18 3.184 11.940 2.118 1.00 0.00 C ATOM 244 CD2 LEU A 18 2.942 10.181 0.356 1.00 0.00 C ATOM 0 H LEU A 18 0.503 13.902 0.255 1.00 0.00 H new ATOM 0 HA LEU A 18 0.706 11.584 -1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.726 12.321 1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.650 10.612 1.389 1.00 0.00 H new ATOM 0 HG LEU A 18 2.753 12.284 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.264 11.915 1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.881 12.945 2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.909 11.236 2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.025 10.181 0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.661 9.433 1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.468 9.944 -0.596 1.00 0.00 H new ATOM 256 N GLY A 19 -2.071 11.545 0.673 1.00 0.00 N ATOM 257 CA GLY A 19 -3.359 10.885 0.788 1.00 0.00 C ATOM 258 C GLY A 19 -4.023 10.671 -0.557 1.00 0.00 C ATOM 259 O GLY A 19 -4.452 9.562 -0.876 1.00 0.00 O ATOM 0 H GLY A 19 -1.932 12.328 1.312 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.228 9.922 1.282 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.014 11.482 1.422 1.00 0.00 H new ATOM 263 N ALA A 20 -4.109 11.735 -1.349 1.00 0.00 N ATOM 264 CA ALA A 20 -4.726 11.658 -2.667 1.00 0.00 C ATOM 265 C ALA A 20 -3.941 10.728 -3.587 1.00 0.00 C ATOM 266 O ALA A 20 -4.522 10.006 -4.399 1.00 0.00 O ATOM 267 CB ALA A 20 -4.831 13.045 -3.283 1.00 0.00 C ATOM 0 H ALA A 20 -3.759 12.660 -1.100 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.729 11.248 -2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.294 12.972 -4.267 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.440 13.683 -2.642 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.835 13.476 -3.382 1.00 0.00 H new ATOM 273 N LEU A 21 -2.620 10.749 -3.454 1.00 0.00 N ATOM 274 CA LEU A 21 -1.755 9.908 -4.274 1.00 0.00 C ATOM 275 C LEU A 21 -2.008 8.430 -3.994 1.00 0.00 C ATOM 276 O LEU A 21 -2.243 7.645 -4.912 1.00 0.00 O ATOM 277 CB LEU A 21 -0.286 10.244 -4.012 1.00 0.00 C ATOM 278 CG LEU A 21 0.728 9.608 -4.963 1.00 0.00 C ATOM 279 CD1 LEU A 21 0.131 8.384 -5.640 1.00 0.00 C ATOM 280 CD2 LEU A 21 1.195 10.619 -6.000 1.00 0.00 C ATOM 0 H LEU A 21 -2.124 11.339 -2.786 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.985 10.105 -5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.168 11.327 -4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.040 9.940 -2.995 1.00 0.00 H new ATOM 0 HG LEU A 21 1.593 9.290 -4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.867 7.945 -6.313 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.152 7.652 -4.884 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.751 8.677 -6.209 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.916 10.148 -6.668 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.340 10.969 -6.578 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.664 11.465 -5.498 1.00 0.00 H new ATOM 292 N TYR A 22 -1.961 8.059 -2.719 1.00 0.00 N ATOM 293 CA TYR A 22 -2.185 6.675 -2.317 1.00 0.00 C ATOM 294 C TYR A 22 -3.480 6.137 -2.917 1.00 0.00 C ATOM 295 O TYR A 22 -3.583 4.953 -3.241 1.00 0.00 O ATOM 296 CB TYR A 22 -2.232 6.567 -0.792 1.00 0.00 C ATOM 297 CG TYR A 22 -2.905 5.307 -0.296 1.00 0.00 C ATOM 298 CD1 TYR A 22 -2.208 4.107 -0.220 1.00 0.00 C ATOM 299 CD2 TYR A 22 -4.238 5.316 0.097 1.00 0.00 C ATOM 300 CE1 TYR A 22 -2.819 2.954 0.233 1.00 0.00 C ATOM 301 CE2 TYR A 22 -4.857 4.168 0.552 1.00 0.00 C ATOM 302 CZ TYR A 22 -4.143 2.989 0.618 1.00 0.00 C ATOM 303 OH TYR A 22 -4.756 1.843 1.069 1.00 0.00 O ATOM 0 H TYR A 22 -1.770 8.697 -1.946 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.356 6.075 -2.692 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.215 6.604 -0.402 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.759 7.433 -0.391 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.171 4.075 -0.520 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.800 6.237 0.046 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.263 2.030 0.285 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.894 4.193 0.854 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.286 1.511 1.862 1.00 0.00 H new ATOM 313 N LEU A 23 -4.466 7.014 -3.063 1.00 0.00 N ATOM 314 CA LEU A 23 -5.756 6.629 -3.625 1.00 0.00 C ATOM 315 C LEU A 23 -5.613 6.218 -5.086 1.00 0.00 C ATOM 316 O LEU A 23 -6.230 5.251 -5.533 1.00 0.00 O ATOM 317 CB LEU A 23 -6.753 7.783 -3.503 1.00 0.00 C ATOM 318 CG LEU A 23 -7.225 8.117 -2.088 1.00 0.00 C ATOM 319 CD1 LEU A 23 -7.808 9.520 -2.036 1.00 0.00 C ATOM 320 CD2 LEU A 23 -8.246 7.094 -1.611 1.00 0.00 C ATOM 0 H LEU A 23 -4.397 7.997 -2.800 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.129 5.774 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.299 8.676 -3.933 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.627 7.547 -4.110 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.364 8.080 -1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.138 9.739 -1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.047 10.241 -2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.657 9.587 -2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.571 7.347 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.106 7.098 -2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.793 6.102 -1.608 1.00 0.00 H new ATOM 332 N SER A 24 -4.793 6.957 -5.826 1.00 0.00 N ATOM 333 CA SER A 24 -4.569 6.671 -7.238 1.00 0.00 C ATOM 334 C SER A 24 -3.933 5.296 -7.419 1.00 0.00 C ATOM 335 O SER A 24 -4.108 4.650 -8.452 1.00 0.00 O ATOM 336 CB SER A 24 -3.676 7.744 -7.863 1.00 0.00 C ATOM 337 OG SER A 24 -4.403 8.937 -8.102 1.00 0.00 O ATOM 0 H SER A 24 -4.272 7.759 -5.471 1.00 0.00 H new ATOM 0 HA SER A 24 -5.536 6.675 -7.742 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.836 7.953 -7.201 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.259 7.374 -8.800 1.00 0.00 H new ATOM 0 HG SER A 24 -3.809 9.608 -8.500 1.00 0.00 H new ATOM 343 N MET A 25 -3.194 4.855 -6.406 1.00 0.00 N ATOM 344 CA MET A 25 -2.533 3.556 -6.452 1.00 0.00 C ATOM 345 C MET A 25 -3.512 2.435 -6.119 1.00 0.00 C ATOM 346 O MET A 25 -3.260 1.267 -6.416 1.00 0.00 O ATOM 347 CB MET A 25 -1.353 3.525 -5.479 1.00 0.00 C ATOM 348 CG MET A 25 -0.516 4.794 -5.498 1.00 0.00 C ATOM 349 SD MET A 25 0.899 4.710 -4.384 1.00 0.00 S ATOM 350 CE MET A 25 2.251 4.950 -5.534 1.00 0.00 C ATOM 0 H MET A 25 -3.038 5.378 -5.544 1.00 0.00 H new ATOM 0 HA MET A 25 -2.163 3.401 -7.465 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.730 3.363 -4.469 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.715 2.675 -5.721 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.164 4.977 -6.513 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.142 5.642 -5.220 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.055 4.251 -5.302 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.899 4.774 -6.551 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.623 5.971 -5.450 1.00 0.00 H new ATOM 360 N LYS A 26 -4.630 2.797 -5.499 1.00 0.00 N ATOM 361 CA LYS A 26 -5.648 1.823 -5.125 1.00 0.00 C ATOM 362 C LYS A 26 -6.473 1.405 -6.338 1.00 0.00 C ATOM 363 O LYS A 26 -7.111 0.352 -6.334 1.00 0.00 O ATOM 364 CB LYS A 26 -6.566 2.402 -4.045 1.00 0.00 C ATOM 365 CG LYS A 26 -5.921 2.470 -2.672 1.00 0.00 C ATOM 366 CD LYS A 26 -6.951 2.320 -1.565 1.00 0.00 C ATOM 367 CE LYS A 26 -7.645 3.641 -1.266 1.00 0.00 C ATOM 368 NZ LYS A 26 -8.385 3.599 0.025 1.00 0.00 N ATOM 0 H LYS A 26 -4.854 3.759 -5.245 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.143 0.941 -4.730 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.876 3.404 -4.342 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.469 1.795 -3.983 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.171 1.684 -2.582 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.401 3.421 -2.560 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.693 1.576 -1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.465 1.951 -0.662 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.905 4.441 -1.235 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.337 3.879 -2.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.844 4.517 0.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.108 2.853 -0.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.721 3.398 0.799 1.00 0.00 H new ATOM 382 N ASP A 27 -6.456 2.237 -7.374 1.00 0.00 N ATOM 383 CA ASP A 27 -7.200 1.952 -8.595 1.00 0.00 C ATOM 384 C ASP A 27 -6.732 0.644 -9.225 1.00 0.00 C ATOM 385 O ASP A 27 -5.586 0.230 -9.044 1.00 0.00 O ATOM 386 CB ASP A 27 -7.041 3.099 -9.594 1.00 0.00 C ATOM 387 CG ASP A 27 -8.139 3.115 -10.638 1.00 0.00 C ATOM 388 OD1 ASP A 27 -8.275 2.113 -11.372 1.00 0.00 O ATOM 389 OD2 ASP A 27 -8.865 4.127 -10.721 1.00 0.00 O ATOM 0 H ASP A 27 -5.935 3.114 -7.392 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.253 1.851 -8.333 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.041 4.047 -9.057 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.074 3.014 -10.090 1.00 0.00 H new ATOM 394 N THR A 28 -7.627 -0.005 -9.964 1.00 0.00 N ATOM 395 CA THR A 28 -7.306 -1.267 -10.619 1.00 0.00 C ATOM 396 C THR A 28 -6.633 -1.032 -11.966 1.00 0.00 C ATOM 397 O THR A 28 -5.791 -1.821 -12.394 1.00 0.00 O ATOM 398 CB THR A 28 -8.568 -2.125 -10.831 1.00 0.00 C ATOM 399 OG1 THR A 28 -8.207 -3.506 -10.946 1.00 0.00 O ATOM 400 CG2 THR A 28 -9.317 -1.686 -12.080 1.00 0.00 C ATOM 0 H THR A 28 -8.580 0.323 -10.124 1.00 0.00 H new ATOM 0 HA THR A 28 -6.619 -1.799 -9.961 1.00 0.00 H new ATOM 0 HB THR A 28 -9.221 -1.991 -9.969 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.014 -4.045 -11.079 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.204 -2.306 -12.209 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.615 -0.643 -11.978 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.669 -1.794 -12.950 1.00 0.00 H new ATOM 408 N GLU A 29 -7.008 0.058 -12.628 1.00 0.00 N ATOM 409 CA GLU A 29 -6.439 0.395 -13.928 1.00 0.00 C ATOM 410 C GLU A 29 -5.547 1.630 -13.827 1.00 0.00 C ATOM 411 O GLU A 29 -4.652 1.832 -14.648 1.00 0.00 O ATOM 412 CB GLU A 29 -7.551 0.637 -14.950 1.00 0.00 C ATOM 413 CG GLU A 29 -8.761 1.354 -14.374 1.00 0.00 C ATOM 414 CD GLU A 29 -9.511 2.161 -15.415 1.00 0.00 C ATOM 415 OE1 GLU A 29 -8.875 2.995 -16.092 1.00 0.00 O ATOM 416 OE2 GLU A 29 -10.736 1.958 -15.553 1.00 0.00 O ATOM 0 H GLU A 29 -7.703 0.722 -12.286 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.830 -0.446 -14.259 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.151 1.223 -15.777 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.869 -0.321 -15.362 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.436 0.621 -13.932 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.438 2.016 -13.570 1.00 0.00 H new ATOM 423 N LYS A 30 -5.800 2.453 -12.816 1.00 0.00 N ATOM 424 CA LYS A 30 -5.022 3.668 -12.605 1.00 0.00 C ATOM 425 C LYS A 30 -4.177 3.561 -11.340 1.00 0.00 C ATOM 426 O LYS A 30 -3.639 4.556 -10.855 1.00 0.00 O ATOM 427 CB LYS A 30 -5.949 4.882 -12.511 1.00 0.00 C ATOM 428 CG LYS A 30 -7.050 4.889 -13.557 1.00 0.00 C ATOM 429 CD LYS A 30 -6.609 5.601 -14.826 1.00 0.00 C ATOM 430 CE LYS A 30 -7.799 6.143 -15.603 1.00 0.00 C ATOM 431 NZ LYS A 30 -7.378 7.084 -16.677 1.00 0.00 N ATOM 0 H LYS A 30 -6.538 2.301 -12.129 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.354 3.794 -13.457 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.401 4.907 -11.520 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.356 5.791 -12.614 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.335 3.864 -13.794 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.935 5.380 -13.152 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.937 6.420 -14.570 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.046 4.911 -15.455 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.353 5.314 -16.043 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.478 6.653 -14.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.218 7.431 -17.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.871 7.888 -16.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.751 6.591 -17.344 1.00 0.00 H new ATOM 445 N GLY A 31 -4.063 2.347 -10.810 1.00 0.00 N ATOM 446 CA GLY A 31 -3.282 2.133 -9.606 1.00 0.00 C ATOM 447 C GLY A 31 -2.180 1.111 -9.805 1.00 0.00 C ATOM 448 O GLY A 31 -1.963 0.631 -10.918 1.00 0.00 O ATOM 0 H GLY A 31 -4.498 1.508 -11.193 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.843 3.079 -9.288 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.941 1.801 -8.803 1.00 0.00 H new ATOM 452 N ILE A 32 -1.482 0.778 -8.724 1.00 0.00 N ATOM 453 CA ILE A 32 -0.397 -0.194 -8.786 1.00 0.00 C ATOM 454 C ILE A 32 -0.928 -1.619 -8.680 1.00 0.00 C ATOM 455 O ILE A 32 -1.691 -1.944 -7.771 1.00 0.00 O ATOM 456 CB ILE A 32 0.634 0.042 -7.666 1.00 0.00 C ATOM 457 CG1 ILE A 32 1.261 1.431 -7.804 1.00 0.00 C ATOM 458 CG2 ILE A 32 1.707 -1.036 -7.698 1.00 0.00 C ATOM 459 CD1 ILE A 32 2.039 1.867 -6.583 1.00 0.00 C ATOM 0 H ILE A 32 -1.648 1.167 -7.796 1.00 0.00 H new ATOM 0 HA ILE A 32 0.090 -0.062 -9.752 1.00 0.00 H new ATOM 0 HB ILE A 32 0.123 -0.011 -6.705 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.925 1.437 -8.669 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.473 2.158 -8.002 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.428 -0.855 -6.901 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.245 -2.013 -7.555 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.217 -1.013 -8.661 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.455 2.860 -6.752 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.375 1.894 -5.719 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.849 1.162 -6.396 1.00 0.00 H new ATOM 471 N LYS A 33 -0.518 -2.468 -9.616 1.00 0.00 N ATOM 472 CA LYS A 33 -0.949 -3.861 -9.629 1.00 0.00 C ATOM 473 C LYS A 33 -0.064 -4.712 -8.724 1.00 0.00 C ATOM 474 O LYS A 33 1.015 -4.284 -8.316 1.00 0.00 O ATOM 475 CB LYS A 33 -0.918 -4.413 -11.056 1.00 0.00 C ATOM 476 CG LYS A 33 0.475 -4.465 -11.658 1.00 0.00 C ATOM 477 CD LYS A 33 0.573 -5.522 -12.746 1.00 0.00 C ATOM 478 CE LYS A 33 2.010 -5.716 -13.205 1.00 0.00 C ATOM 479 NZ LYS A 33 2.127 -6.805 -14.214 1.00 0.00 N ATOM 0 H LYS A 33 0.113 -2.215 -10.376 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.971 -3.903 -9.252 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.343 -5.417 -11.058 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.555 -3.796 -11.689 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.730 -3.490 -12.073 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.203 -4.679 -10.875 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.178 -6.467 -12.374 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.045 -5.231 -13.595 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.384 -4.785 -13.630 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.638 -5.949 -12.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.896 -7.450 -13.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.232 -7.333 -14.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.335 -6.394 -15.146 1.00 0.00 H new ATOM 493 N GLU A 34 -0.528 -5.919 -8.416 1.00 0.00 N ATOM 494 CA GLU A 34 0.223 -6.830 -7.560 1.00 0.00 C ATOM 495 C GLU A 34 0.438 -8.173 -8.251 1.00 0.00 C ATOM 496 O GLU A 34 -0.455 -8.688 -8.925 1.00 0.00 O ATOM 497 CB GLU A 34 -0.509 -7.039 -6.233 1.00 0.00 C ATOM 498 CG GLU A 34 -0.984 -5.746 -5.590 1.00 0.00 C ATOM 499 CD GLU A 34 -2.217 -5.941 -4.729 1.00 0.00 C ATOM 500 OE1 GLU A 34 -3.213 -6.497 -5.237 1.00 0.00 O ATOM 501 OE2 GLU A 34 -2.185 -5.539 -3.547 1.00 0.00 O ATOM 0 H GLU A 34 -1.420 -6.288 -8.746 1.00 0.00 H new ATOM 0 HA GLU A 34 1.197 -6.382 -7.363 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.368 -7.689 -6.400 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.153 -7.558 -5.540 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.181 -5.332 -4.980 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.201 -5.016 -6.369 1.00 0.00 H new ATOM 508 N LEU A 35 1.630 -8.736 -8.080 1.00 0.00 N ATOM 509 CA LEU A 35 1.964 -10.019 -8.687 1.00 0.00 C ATOM 510 C LEU A 35 2.042 -11.117 -7.631 1.00 0.00 C ATOM 511 O LEU A 35 1.836 -10.867 -6.445 1.00 0.00 O ATOM 512 CB LEU A 35 3.295 -9.920 -9.435 1.00 0.00 C ATOM 513 CG LEU A 35 3.347 -8.908 -10.581 1.00 0.00 C ATOM 514 CD1 LEU A 35 2.030 -8.895 -11.341 1.00 0.00 C ATOM 515 CD2 LEU A 35 3.673 -7.520 -10.051 1.00 0.00 C ATOM 0 H LEU A 35 2.381 -8.324 -7.526 1.00 0.00 H new ATOM 0 HA LEU A 35 1.175 -10.275 -9.394 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.075 -9.666 -8.717 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.538 -10.904 -9.835 1.00 0.00 H new ATOM 0 HG LEU A 35 4.137 -9.207 -11.270 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.085 -8.169 -12.152 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.838 -9.886 -11.753 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.222 -8.621 -10.663 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.706 -6.813 -10.880 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.905 -7.212 -9.341 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.642 -7.539 -9.552 1.00 0.00 H new ATOM 527 N ASN A 36 2.343 -12.335 -8.072 1.00 0.00 N ATOM 528 CA ASN A 36 2.450 -13.471 -7.164 1.00 0.00 C ATOM 529 C ASN A 36 3.854 -14.068 -7.203 1.00 0.00 C ATOM 530 O ASN A 36 4.128 -14.990 -7.972 1.00 0.00 O ATOM 531 CB ASN A 36 1.419 -14.541 -7.530 1.00 0.00 C ATOM 532 CG ASN A 36 1.325 -14.766 -9.026 1.00 0.00 C ATOM 533 OD1 ASN A 36 2.279 -14.517 -9.764 1.00 0.00 O ATOM 534 ND2 ASN A 36 0.172 -15.240 -9.482 1.00 0.00 N ATOM 0 H ASN A 36 2.517 -12.560 -9.052 1.00 0.00 H new ATOM 0 HA ASN A 36 2.253 -13.116 -6.152 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.683 -15.478 -7.040 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.442 -14.246 -7.148 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.050 -15.412 -10.480 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.592 -15.432 -8.834 1.00 0.00 H new ATOM 541 N LEU A 37 4.739 -13.536 -6.367 1.00 0.00 N ATOM 542 CA LEU A 37 6.116 -14.016 -6.304 1.00 0.00 C ATOM 543 C LEU A 37 6.342 -14.860 -5.054 1.00 0.00 C ATOM 544 O LEU A 37 5.528 -14.847 -4.131 1.00 0.00 O ATOM 545 CB LEU A 37 7.089 -12.836 -6.320 1.00 0.00 C ATOM 546 CG LEU A 37 6.879 -11.807 -7.431 1.00 0.00 C ATOM 547 CD1 LEU A 37 7.407 -10.446 -7.005 1.00 0.00 C ATOM 548 CD2 LEU A 37 7.553 -12.264 -8.716 1.00 0.00 C ATOM 0 H LEU A 37 4.528 -12.773 -5.724 1.00 0.00 H new ATOM 0 HA LEU A 37 6.298 -14.641 -7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.023 -12.323 -5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.103 -13.228 -6.402 1.00 0.00 H new ATOM 0 HG LEU A 37 5.809 -11.716 -7.618 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.249 -9.727 -7.808 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.878 -10.114 -6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.473 -10.520 -6.789 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.393 -11.519 -9.496 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.622 -12.384 -8.543 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.127 -13.217 -9.031 1.00 0.00 H new ATOM 560 N GLU A 38 7.452 -15.590 -5.032 1.00 0.00 N ATOM 561 CA GLU A 38 7.785 -16.438 -3.894 1.00 0.00 C ATOM 562 C GLU A 38 9.199 -16.153 -3.397 1.00 0.00 C ATOM 563 O GLU A 38 10.158 -16.176 -4.169 1.00 0.00 O ATOM 564 CB GLU A 38 7.655 -17.915 -4.274 1.00 0.00 C ATOM 565 CG GLU A 38 7.707 -18.857 -3.084 1.00 0.00 C ATOM 566 CD GLU A 38 9.119 -19.297 -2.749 1.00 0.00 C ATOM 567 OE1 GLU A 38 9.878 -18.480 -2.187 1.00 0.00 O ATOM 568 OE2 GLU A 38 9.465 -20.459 -3.048 1.00 0.00 O ATOM 0 H GLU A 38 8.136 -15.611 -5.789 1.00 0.00 H new ATOM 0 HA GLU A 38 7.084 -16.213 -3.090 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.714 -18.064 -4.803 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.455 -18.175 -4.967 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.268 -18.364 -2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.097 -19.736 -3.294 1.00 0.00 H new ATOM 575 N LYS A 39 9.322 -15.882 -2.102 1.00 0.00 N ATOM 576 CA LYS A 39 10.617 -15.592 -1.499 1.00 0.00 C ATOM 577 C LYS A 39 10.821 -16.409 -0.227 1.00 0.00 C ATOM 578 O LYS A 39 9.902 -16.560 0.578 1.00 0.00 O ATOM 579 CB LYS A 39 10.734 -14.099 -1.184 1.00 0.00 C ATOM 580 CG LYS A 39 12.168 -13.608 -1.085 1.00 0.00 C ATOM 581 CD LYS A 39 12.780 -13.396 -2.460 1.00 0.00 C ATOM 582 CE LYS A 39 13.857 -12.322 -2.430 1.00 0.00 C ATOM 583 NZ LYS A 39 14.359 -12.002 -3.794 1.00 0.00 N ATOM 0 H LYS A 39 8.539 -15.857 -1.449 1.00 0.00 H new ATOM 0 HA LYS A 39 11.392 -15.867 -2.214 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.217 -13.532 -1.958 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.223 -13.894 -0.243 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.196 -12.673 -0.525 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.764 -14.331 -0.528 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.208 -14.333 -2.817 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.000 -13.112 -3.167 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.457 -11.419 -1.969 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.686 -12.657 -1.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.091 -11.266 -3.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.764 -12.858 -4.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.573 -11.658 -4.382 1.00 0.00 H new ATOM 597 N ASP A 40 12.030 -16.931 -0.052 1.00 0.00 N ATOM 598 CA ASP A 40 12.354 -17.729 1.125 1.00 0.00 C ATOM 599 C ASP A 40 11.278 -18.780 1.382 1.00 0.00 C ATOM 600 O ASP A 40 10.869 -18.998 2.522 1.00 0.00 O ATOM 601 CB ASP A 40 12.510 -16.829 2.351 1.00 0.00 C ATOM 602 CG ASP A 40 13.861 -16.143 2.398 1.00 0.00 C ATOM 603 OD1 ASP A 40 14.886 -16.838 2.235 1.00 0.00 O ATOM 604 OD2 ASP A 40 13.893 -14.911 2.598 1.00 0.00 O ATOM 0 H ASP A 40 12.801 -16.816 -0.709 1.00 0.00 H new ATOM 0 HA ASP A 40 13.298 -18.241 0.938 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.723 -16.075 2.347 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.376 -17.424 3.254 1.00 0.00 H new ATOM 609 N LYS A 41 10.824 -19.427 0.315 1.00 0.00 N ATOM 610 CA LYS A 41 9.795 -20.455 0.423 1.00 0.00 C ATOM 611 C LYS A 41 8.499 -19.872 0.977 1.00 0.00 C ATOM 612 O LYS A 41 7.807 -20.510 1.770 1.00 0.00 O ATOM 613 CB LYS A 41 10.278 -21.596 1.322 1.00 0.00 C ATOM 614 CG LYS A 41 11.434 -22.386 0.734 1.00 0.00 C ATOM 615 CD LYS A 41 11.824 -23.552 1.627 1.00 0.00 C ATOM 616 CE LYS A 41 12.813 -24.477 0.935 1.00 0.00 C ATOM 617 NZ LYS A 41 14.222 -24.047 1.153 1.00 0.00 N ATOM 0 H LYS A 41 11.152 -19.258 -0.636 1.00 0.00 H new ATOM 0 HA LYS A 41 9.600 -20.845 -0.576 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.582 -21.185 2.285 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.446 -22.274 1.513 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.157 -22.759 -0.252 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.293 -21.729 0.597 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.263 -23.174 2.550 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.932 -24.113 1.905 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.682 -25.493 1.308 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.602 -24.500 -0.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.865 -24.703 0.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.355 -23.087 0.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.432 -24.050 2.172 1.00 0.00 H new ATOM 631 N LYS A 42 8.174 -18.655 0.552 1.00 0.00 N ATOM 632 CA LYS A 42 6.960 -17.986 1.002 1.00 0.00 C ATOM 633 C LYS A 42 6.346 -17.158 -0.122 1.00 0.00 C ATOM 634 O LYS A 42 6.987 -16.255 -0.661 1.00 0.00 O ATOM 635 CB LYS A 42 7.263 -17.088 2.204 1.00 0.00 C ATOM 636 CG LYS A 42 7.932 -17.819 3.355 1.00 0.00 C ATOM 637 CD LYS A 42 8.366 -16.857 4.449 1.00 0.00 C ATOM 638 CE LYS A 42 9.709 -16.219 4.131 1.00 0.00 C ATOM 639 NZ LYS A 42 9.571 -15.079 3.183 1.00 0.00 N ATOM 0 H LYS A 42 8.736 -18.112 -0.104 1.00 0.00 H new ATOM 0 HA LYS A 42 6.243 -18.751 1.299 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.906 -16.269 1.882 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.333 -16.643 2.558 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.243 -18.556 3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.799 -18.366 2.985 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.612 -16.079 4.571 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.431 -17.389 5.398 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.173 -15.870 5.054 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.375 -16.968 3.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.233 -14.323 3.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.786 -15.402 2.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.598 -14.715 3.218 1.00 0.00 H new ATOM 653 N ILE A 43 5.102 -17.470 -0.470 1.00 0.00 N ATOM 654 CA ILE A 43 4.402 -16.752 -1.528 1.00 0.00 C ATOM 655 C ILE A 43 3.827 -15.437 -1.013 1.00 0.00 C ATOM 656 O ILE A 43 3.032 -15.421 -0.073 1.00 0.00 O ATOM 657 CB ILE A 43 3.263 -17.600 -2.124 1.00 0.00 C ATOM 658 CG1 ILE A 43 3.778 -18.988 -2.508 1.00 0.00 C ATOM 659 CG2 ILE A 43 2.659 -16.900 -3.332 1.00 0.00 C ATOM 660 CD1 ILE A 43 4.360 -19.052 -3.903 1.00 0.00 C ATOM 0 H ILE A 43 4.558 -18.215 -0.035 1.00 0.00 H new ATOM 0 HA ILE A 43 5.135 -16.544 -2.307 1.00 0.00 H new ATOM 0 HB ILE A 43 2.485 -17.718 -1.370 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.539 -19.295 -1.791 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.960 -19.704 -2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.855 -17.511 -3.743 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.260 -15.932 -3.030 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.428 -16.755 -4.091 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.705 -20.066 -4.107 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.595 -18.776 -4.629 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.199 -18.361 -3.979 1.00 0.00 H new ATOM 672 N PHE A 44 4.233 -14.336 -1.636 1.00 0.00 N ATOM 673 CA PHE A 44 3.757 -13.015 -1.242 1.00 0.00 C ATOM 674 C PHE A 44 2.740 -12.481 -2.246 1.00 0.00 C ATOM 675 O PHE A 44 3.105 -11.879 -3.254 1.00 0.00 O ATOM 676 CB PHE A 44 4.931 -12.042 -1.121 1.00 0.00 C ATOM 677 CG PHE A 44 5.805 -12.301 0.073 1.00 0.00 C ATOM 678 CD1 PHE A 44 6.829 -13.232 0.009 1.00 0.00 C ATOM 679 CD2 PHE A 44 5.602 -11.613 1.258 1.00 0.00 C ATOM 680 CE1 PHE A 44 7.634 -13.472 1.107 1.00 0.00 C ATOM 681 CE2 PHE A 44 6.404 -11.849 2.359 1.00 0.00 C ATOM 682 CZ PHE A 44 7.422 -12.779 2.283 1.00 0.00 C ATOM 0 H PHE A 44 4.891 -14.332 -2.416 1.00 0.00 H new ATOM 0 HA PHE A 44 3.269 -13.107 -0.272 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.537 -12.103 -2.025 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.545 -11.024 -1.064 1.00 0.00 H new ATOM 0 HD1 PHE A 44 7.000 -13.776 -0.908 1.00 0.00 H new ATOM 0 HD2 PHE A 44 4.808 -10.884 1.323 1.00 0.00 H new ATOM 0 HE1 PHE A 44 8.428 -14.201 1.045 1.00 0.00 H new ATOM 0 HE2 PHE A 44 6.235 -11.307 3.277 1.00 0.00 H new ATOM 0 HZ PHE A 44 8.051 -12.964 3.141 1.00 0.00 H new ATOM 692 N ASN A 45 1.462 -12.708 -1.962 1.00 0.00 N ATOM 693 CA ASN A 45 0.391 -12.251 -2.840 1.00 0.00 C ATOM 694 C ASN A 45 0.000 -10.812 -2.518 1.00 0.00 C ATOM 695 O ASN A 45 0.160 -10.352 -1.387 1.00 0.00 O ATOM 696 CB ASN A 45 -0.830 -13.164 -2.708 1.00 0.00 C ATOM 697 CG ASN A 45 -0.472 -14.631 -2.853 1.00 0.00 C ATOM 698 OD1 ASN A 45 -0.601 -15.209 -3.932 1.00 0.00 O ATOM 699 ND2 ASN A 45 -0.021 -15.240 -1.762 1.00 0.00 N ATOM 0 H ASN A 45 1.143 -13.206 -1.131 1.00 0.00 H new ATOM 0 HA ASN A 45 0.756 -12.289 -3.866 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.299 -13.001 -1.738 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.565 -12.895 -3.467 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.235 -16.227 -1.798 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.070 -14.721 -0.889 1.00 0.00 H new ATOM 706 N HIS A 46 -0.515 -10.106 -3.520 1.00 0.00 N ATOM 707 CA HIS A 46 -0.930 -8.719 -3.344 1.00 0.00 C ATOM 708 C HIS A 46 0.269 -7.828 -3.034 1.00 0.00 C ATOM 709 O HIS A 46 0.186 -6.926 -2.200 1.00 0.00 O ATOM 710 CB HIS A 46 -1.962 -8.612 -2.221 1.00 0.00 C ATOM 711 CG HIS A 46 -2.804 -9.841 -2.062 1.00 0.00 C ATOM 712 ND1 HIS A 46 -2.438 -10.906 -1.266 1.00 0.00 N ATOM 713 CD2 HIS A 46 -4.001 -10.170 -2.601 1.00 0.00 C ATOM 714 CE1 HIS A 46 -3.373 -11.838 -1.325 1.00 0.00 C ATOM 715 NE2 HIS A 46 -4.333 -11.415 -2.128 1.00 0.00 N ATOM 0 H HIS A 46 -0.655 -10.472 -4.462 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.381 -8.380 -4.276 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.446 -8.411 -1.282 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.612 -7.759 -2.416 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -1.580 -10.965 -0.718 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.586 -9.565 -3.278 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.355 -12.785 -0.805 1.00 0.00 H new ATOM 724 N CYS A 47 1.382 -8.086 -3.711 1.00 0.00 N ATOM 725 CA CYS A 47 2.599 -7.309 -3.508 1.00 0.00 C ATOM 726 C CYS A 47 3.153 -6.807 -4.838 1.00 0.00 C ATOM 727 O CYS A 47 2.952 -7.430 -5.880 1.00 0.00 O ATOM 728 CB CYS A 47 3.653 -8.151 -2.788 1.00 0.00 C ATOM 729 SG CYS A 47 4.680 -9.149 -3.892 1.00 0.00 S ATOM 0 H CYS A 47 1.467 -8.828 -4.406 1.00 0.00 H new ATOM 0 HA CYS A 47 2.350 -6.446 -2.890 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.297 -7.490 -2.209 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.153 -8.811 -2.079 1.00 0.00 H new ATOM 0 HG CYS A 47 4.291 -10.389 -3.844 1.00 0.00 H new ATOM 735 N PHE A 48 3.849 -5.676 -4.794 1.00 0.00 N ATOM 736 CA PHE A 48 4.429 -5.088 -5.996 1.00 0.00 C ATOM 737 C PHE A 48 5.906 -4.768 -5.786 1.00 0.00 C ATOM 738 O PHE A 48 6.318 -4.362 -4.698 1.00 0.00 O ATOM 739 CB PHE A 48 3.671 -3.818 -6.385 1.00 0.00 C ATOM 740 CG PHE A 48 3.194 -3.018 -5.206 1.00 0.00 C ATOM 741 CD1 PHE A 48 1.954 -3.266 -4.640 1.00 0.00 C ATOM 742 CD2 PHE A 48 3.987 -2.019 -4.664 1.00 0.00 C ATOM 743 CE1 PHE A 48 1.513 -2.532 -3.555 1.00 0.00 C ATOM 744 CE2 PHE A 48 3.551 -1.283 -3.579 1.00 0.00 C ATOM 745 CZ PHE A 48 2.312 -1.539 -3.024 1.00 0.00 C ATOM 0 H PHE A 48 4.025 -5.148 -3.939 1.00 0.00 H new ATOM 0 HA PHE A 48 4.344 -5.815 -6.804 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.318 -3.193 -7.000 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.813 -4.091 -7.000 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.325 -4.042 -5.051 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.956 -1.814 -5.094 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.544 -2.735 -3.123 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.179 -0.508 -3.165 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.969 -0.964 -2.177 1.00 0.00 H new ATOM 755 N THR A 49 6.701 -4.954 -6.835 1.00 0.00 N ATOM 756 CA THR A 49 8.132 -4.687 -6.767 1.00 0.00 C ATOM 757 C THR A 49 8.405 -3.206 -6.532 1.00 0.00 C ATOM 758 O THR A 49 7.538 -2.362 -6.755 1.00 0.00 O ATOM 759 CB THR A 49 8.848 -5.131 -8.056 1.00 0.00 C ATOM 760 OG1 THR A 49 8.328 -4.410 -9.179 1.00 0.00 O ATOM 761 CG2 THR A 49 8.677 -6.625 -8.283 1.00 0.00 C ATOM 0 H THR A 49 6.377 -5.289 -7.743 1.00 0.00 H new ATOM 0 HA THR A 49 8.521 -5.263 -5.927 1.00 0.00 H new ATOM 0 HB THR A 49 9.911 -4.916 -7.947 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.790 -4.697 -9.994 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.191 -6.915 -9.199 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.100 -7.172 -7.441 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.616 -6.860 -8.372 1.00 0.00 H new ATOM 769 N GLY A 50 9.616 -2.896 -6.080 1.00 0.00 N ATOM 770 CA GLY A 50 9.982 -1.515 -5.823 1.00 0.00 C ATOM 771 C GLY A 50 10.023 -0.681 -7.088 1.00 0.00 C ATOM 772 O GLY A 50 9.377 0.363 -7.172 1.00 0.00 O ATOM 0 H GLY A 50 10.351 -3.577 -5.887 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.268 -1.077 -5.126 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.959 -1.485 -5.340 1.00 0.00 H new ATOM 776 N ASN A 51 10.785 -1.142 -8.074 1.00 0.00 N ATOM 777 CA ASN A 51 10.909 -0.429 -9.341 1.00 0.00 C ATOM 778 C ASN A 51 9.538 -0.029 -9.877 1.00 0.00 C ATOM 779 O ASN A 51 9.360 1.075 -10.393 1.00 0.00 O ATOM 780 CB ASN A 51 11.637 -1.297 -10.369 1.00 0.00 C ATOM 781 CG ASN A 51 11.586 -0.706 -11.765 1.00 0.00 C ATOM 782 OD1 ASN A 51 12.548 -0.092 -12.226 1.00 0.00 O ATOM 783 ND2 ASN A 51 10.460 -0.890 -12.444 1.00 0.00 N ATOM 0 H ASN A 51 11.326 -2.005 -8.021 1.00 0.00 H new ATOM 0 HA ASN A 51 11.489 0.477 -9.164 1.00 0.00 H new ATOM 0 HB2 ASN A 51 12.677 -1.418 -10.067 1.00 0.00 H new ATOM 0 HB3 ASN A 51 11.191 -2.291 -10.382 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.367 -0.516 -13.388 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.688 -1.406 -12.021 1.00 0.00 H new ATOM 790 N CYS A 52 8.573 -0.932 -9.750 1.00 0.00 N ATOM 791 CA CYS A 52 7.217 -0.673 -10.221 1.00 0.00 C ATOM 792 C CYS A 52 6.647 0.585 -9.575 1.00 0.00 C ATOM 793 O CYS A 52 6.150 1.478 -10.261 1.00 0.00 O ATOM 794 CB CYS A 52 6.313 -1.870 -9.920 1.00 0.00 C ATOM 795 SG CYS A 52 6.277 -3.116 -11.230 1.00 0.00 S ATOM 0 H CYS A 52 8.704 -1.850 -9.325 1.00 0.00 H new ATOM 0 HA CYS A 52 7.257 -0.519 -11.299 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.647 -2.340 -8.995 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.298 -1.511 -9.747 1.00 0.00 H new ATOM 0 HG CYS A 52 7.073 -4.096 -10.919 1.00 0.00 H new ATOM 801 N VAL A 53 6.722 0.649 -8.249 1.00 0.00 N ATOM 802 CA VAL A 53 6.213 1.798 -7.509 1.00 0.00 C ATOM 803 C VAL A 53 6.732 3.105 -8.099 1.00 0.00 C ATOM 804 O VAL A 53 5.953 3.997 -8.437 1.00 0.00 O ATOM 805 CB VAL A 53 6.608 1.727 -6.022 1.00 0.00 C ATOM 806 CG1 VAL A 53 6.110 2.957 -5.278 1.00 0.00 C ATOM 807 CG2 VAL A 53 6.066 0.455 -5.388 1.00 0.00 C ATOM 0 H VAL A 53 7.130 -0.081 -7.665 1.00 0.00 H new ATOM 0 HA VAL A 53 5.126 1.771 -7.591 1.00 0.00 H new ATOM 0 HB VAL A 53 7.696 1.706 -5.953 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.398 2.889 -4.229 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.550 3.852 -5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.024 3.013 -5.353 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.354 0.421 -4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.979 0.444 -5.467 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.476 -0.413 -5.905 1.00 0.00 H new ATOM 817 N ILE A 54 8.051 3.211 -8.221 1.00 0.00 N ATOM 818 CA ILE A 54 8.673 4.408 -8.772 1.00 0.00 C ATOM 819 C ILE A 54 8.120 4.727 -10.157 1.00 0.00 C ATOM 820 O ILE A 54 7.516 5.779 -10.368 1.00 0.00 O ATOM 821 CB ILE A 54 10.203 4.256 -8.864 1.00 0.00 C ATOM 822 CG1 ILE A 54 10.771 3.777 -7.527 1.00 0.00 C ATOM 823 CG2 ILE A 54 10.842 5.573 -9.276 1.00 0.00 C ATOM 824 CD1 ILE A 54 10.429 4.683 -6.366 1.00 0.00 C ATOM 0 H ILE A 54 8.709 2.482 -7.946 1.00 0.00 H new ATOM 0 HA ILE A 54 8.438 5.227 -8.092 1.00 0.00 H new ATOM 0 HB ILE A 54 10.434 3.509 -9.624 1.00 0.00 H new ATOM 0 HG12 ILE A 54 10.394 2.776 -7.319 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.855 3.699 -7.609 1.00 0.00 H new ATOM 0 HG21 ILE A 54 11.923 5.450 -9.337 1.00 0.00 H new ATOM 0 HG22 ILE A 54 10.456 5.876 -10.249 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.605 6.339 -8.538 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.864 4.282 -5.451 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.830 5.679 -6.552 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.346 4.742 -6.257 1.00 0.00 H new ATOM 836 N ASP A 55 8.330 3.812 -11.097 1.00 0.00 N ATOM 837 CA ASP A 55 7.850 3.994 -12.462 1.00 0.00 C ATOM 838 C ASP A 55 6.401 4.470 -12.469 1.00 0.00 C ATOM 839 O ASP A 55 6.069 5.470 -13.107 1.00 0.00 O ATOM 840 CB ASP A 55 7.975 2.688 -13.247 1.00 0.00 C ATOM 841 CG ASP A 55 9.315 2.558 -13.945 1.00 0.00 C ATOM 842 OD1 ASP A 55 10.326 3.029 -13.383 1.00 0.00 O ATOM 843 OD2 ASP A 55 9.353 1.984 -15.053 1.00 0.00 O ATOM 0 H ASP A 55 8.829 2.937 -10.939 1.00 0.00 H new ATOM 0 HA ASP A 55 8.466 4.756 -12.940 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.839 1.845 -12.569 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.176 2.634 -13.987 1.00 0.00 H new ATOM 848 N TRP A 56 5.543 3.748 -11.758 1.00 0.00 N ATOM 849 CA TRP A 56 4.129 4.096 -11.685 1.00 0.00 C ATOM 850 C TRP A 56 3.946 5.602 -11.533 1.00 0.00 C ATOM 851 O TRP A 56 3.175 6.221 -12.268 1.00 0.00 O ATOM 852 CB TRP A 56 3.464 3.369 -10.514 1.00 0.00 C ATOM 853 CG TRP A 56 1.991 3.628 -10.414 1.00 0.00 C ATOM 854 CD1 TRP A 56 0.984 2.818 -10.857 1.00 0.00 C ATOM 855 CD2 TRP A 56 1.360 4.776 -9.836 1.00 0.00 C ATOM 856 NE1 TRP A 56 -0.234 3.393 -10.589 1.00 0.00 N ATOM 857 CE2 TRP A 56 -0.031 4.594 -9.962 1.00 0.00 C ATOM 858 CE3 TRP A 56 1.834 5.938 -9.223 1.00 0.00 C ATOM 859 CZ2 TRP A 56 -0.949 5.533 -9.498 1.00 0.00 C ATOM 860 CZ3 TRP A 56 0.922 6.869 -8.763 1.00 0.00 C ATOM 861 CH2 TRP A 56 -0.457 6.662 -8.902 1.00 0.00 C ATOM 0 H TRP A 56 5.802 2.918 -11.224 1.00 0.00 H new ATOM 0 HA TRP A 56 3.655 3.783 -12.615 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.631 2.297 -10.619 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.944 3.677 -9.585 1.00 0.00 H new ATOM 0 HD1 TRP A 56 1.125 1.865 -11.346 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -1.143 2.991 -10.819 1.00 0.00 H new ATOM 0 HE3 TRP A 56 2.895 6.106 -9.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.012 5.375 -9.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.278 7.771 -8.288 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.145 7.408 -8.532 1.00 0.00 H new ATOM 872 N LEU A 57 4.659 6.187 -10.577 1.00 0.00 N ATOM 873 CA LEU A 57 4.576 7.622 -10.330 1.00 0.00 C ATOM 874 C LEU A 57 4.868 8.412 -11.602 1.00 0.00 C ATOM 875 O LEU A 57 4.071 9.251 -12.021 1.00 0.00 O ATOM 876 CB LEU A 57 5.556 8.028 -9.228 1.00 0.00 C ATOM 877 CG LEU A 57 5.209 7.559 -7.815 1.00 0.00 C ATOM 878 CD1 LEU A 57 6.469 7.416 -6.975 1.00 0.00 C ATOM 879 CD2 LEU A 57 4.234 8.525 -7.157 1.00 0.00 C ATOM 0 H LEU A 57 5.301 5.690 -9.960 1.00 0.00 H new ATOM 0 HA LEU A 57 3.560 7.851 -10.007 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.542 7.641 -9.486 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.632 9.115 -9.220 1.00 0.00 H new ATOM 0 HG LEU A 57 4.731 6.582 -7.884 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.202 7.081 -5.973 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.133 6.685 -7.437 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.976 8.379 -6.913 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.998 8.175 -6.152 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.686 9.515 -7.100 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.319 8.577 -7.747 1.00 0.00 H new ATOM 891 N VAL A 58 6.015 8.136 -12.214 1.00 0.00 N ATOM 892 CA VAL A 58 6.412 8.817 -13.440 1.00 0.00 C ATOM 893 C VAL A 58 5.354 8.654 -14.526 1.00 0.00 C ATOM 894 O VAL A 58 4.990 9.616 -15.202 1.00 0.00 O ATOM 895 CB VAL A 58 7.758 8.287 -13.967 1.00 0.00 C ATOM 896 CG1 VAL A 58 8.165 9.027 -15.232 1.00 0.00 C ATOM 897 CG2 VAL A 58 8.834 8.410 -12.898 1.00 0.00 C ATOM 0 H VAL A 58 6.686 7.444 -11.880 1.00 0.00 H new ATOM 0 HA VAL A 58 6.518 9.874 -13.195 1.00 0.00 H new ATOM 0 HB VAL A 58 7.642 7.232 -14.214 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.119 8.639 -15.590 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.404 8.883 -15.999 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.265 10.091 -15.015 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.779 8.031 -13.287 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.951 9.457 -12.618 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.544 7.830 -12.022 1.00 0.00 H new ATOM 907 N SER A 59 4.863 7.429 -14.687 1.00 0.00 N ATOM 908 CA SER A 59 3.849 7.139 -15.694 1.00 0.00 C ATOM 909 C SER A 59 2.607 7.997 -15.476 1.00 0.00 C ATOM 910 O SER A 59 1.966 8.434 -16.432 1.00 0.00 O ATOM 911 CB SER A 59 3.472 5.657 -15.655 1.00 0.00 C ATOM 912 OG SER A 59 2.816 5.266 -16.849 1.00 0.00 O ATOM 0 H SER A 59 5.151 6.622 -14.133 1.00 0.00 H new ATOM 0 HA SER A 59 4.265 7.375 -16.673 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.369 5.054 -15.515 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.823 5.466 -14.800 1.00 0.00 H new ATOM 0 HG SER A 59 2.587 4.314 -16.800 1.00 0.00 H new ATOM 918 N ASN A 60 2.273 8.235 -14.212 1.00 0.00 N ATOM 919 CA ASN A 60 1.107 9.040 -13.868 1.00 0.00 C ATOM 920 C ASN A 60 1.430 10.529 -13.955 1.00 0.00 C ATOM 921 O ASN A 60 0.663 11.368 -13.482 1.00 0.00 O ATOM 922 CB ASN A 60 0.620 8.694 -12.459 1.00 0.00 C ATOM 923 CG ASN A 60 -0.234 7.442 -12.434 1.00 0.00 C ATOM 924 OD1 ASN A 60 -1.431 7.498 -12.151 1.00 0.00 O ATOM 925 ND2 ASN A 60 0.379 6.302 -12.732 1.00 0.00 N ATOM 0 H ASN A 60 2.793 7.882 -13.409 1.00 0.00 H new ATOM 0 HA ASN A 60 0.317 8.815 -14.584 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.480 8.557 -11.804 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.046 9.530 -12.060 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.144 5.426 -12.732 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.373 6.302 -12.961 1.00 0.00 H new ATOM 932 N GLN A 61 2.568 10.848 -14.563 1.00 0.00 N ATOM 933 CA GLN A 61 2.991 12.235 -14.712 1.00 0.00 C ATOM 934 C GLN A 61 3.038 12.938 -13.359 1.00 0.00 C ATOM 935 O GLN A 61 2.815 14.145 -13.268 1.00 0.00 O ATOM 936 CB GLN A 61 2.045 12.981 -15.655 1.00 0.00 C ATOM 937 CG GLN A 61 1.825 12.272 -16.981 1.00 0.00 C ATOM 938 CD GLN A 61 0.538 12.694 -17.662 1.00 0.00 C ATOM 939 OE1 GLN A 61 -0.543 12.614 -17.077 1.00 0.00 O ATOM 940 NE2 GLN A 61 0.647 13.149 -18.905 1.00 0.00 N ATOM 0 H GLN A 61 3.213 10.165 -14.960 1.00 0.00 H new ATOM 0 HA GLN A 61 3.994 12.238 -15.138 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.083 13.115 -15.160 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.446 13.976 -15.847 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.666 12.478 -17.643 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.807 11.195 -16.814 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.563 13.198 -19.352 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.185 13.449 -19.413 1.00 0.00 H new ATOM 949 N SER A 62 3.330 12.175 -12.311 1.00 0.00 N ATOM 950 CA SER A 62 3.403 12.724 -10.962 1.00 0.00 C ATOM 951 C SER A 62 4.803 13.251 -10.664 1.00 0.00 C ATOM 952 O SER A 62 4.967 14.247 -9.960 1.00 0.00 O ATOM 953 CB SER A 62 3.017 11.659 -9.933 1.00 0.00 C ATOM 954 OG SER A 62 1.736 11.121 -10.212 1.00 0.00 O ATOM 0 H SER A 62 3.520 11.175 -12.370 1.00 0.00 H new ATOM 0 HA SER A 62 2.700 13.554 -10.897 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.759 10.860 -9.936 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.022 12.095 -8.934 1.00 0.00 H new ATOM 0 HG SER A 62 1.513 10.442 -9.542 1.00 0.00 H new ATOM 960 N VAL A 63 5.811 12.574 -11.206 1.00 0.00 N ATOM 961 CA VAL A 63 7.198 12.974 -11.001 1.00 0.00 C ATOM 962 C VAL A 63 7.896 13.241 -12.330 1.00 0.00 C ATOM 963 O VAL A 63 7.432 12.806 -13.384 1.00 0.00 O ATOM 964 CB VAL A 63 7.984 11.897 -10.229 1.00 0.00 C ATOM 965 CG1 VAL A 63 7.530 11.842 -8.778 1.00 0.00 C ATOM 966 CG2 VAL A 63 7.824 10.540 -10.897 1.00 0.00 C ATOM 0 H VAL A 63 5.693 11.746 -11.790 1.00 0.00 H new ATOM 0 HA VAL A 63 7.179 13.892 -10.413 1.00 0.00 H new ATOM 0 HB VAL A 63 9.041 12.162 -10.245 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.096 11.076 -8.248 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.700 12.810 -8.307 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.468 11.601 -8.738 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.386 9.791 -10.339 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.769 10.265 -10.914 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.202 10.590 -11.918 1.00 0.00 H new ATOM 976 N ARG A 64 9.013 13.959 -12.271 1.00 0.00 N ATOM 977 CA ARG A 64 9.774 14.285 -13.471 1.00 0.00 C ATOM 978 C ARG A 64 10.593 13.085 -13.938 1.00 0.00 C ATOM 979 O ARG A 64 10.722 12.839 -15.137 1.00 0.00 O ATOM 980 CB ARG A 64 10.699 15.474 -13.205 1.00 0.00 C ATOM 981 CG ARG A 64 9.959 16.776 -12.944 1.00 0.00 C ATOM 982 CD ARG A 64 10.887 17.976 -13.052 1.00 0.00 C ATOM 983 NE ARG A 64 11.248 18.266 -14.437 1.00 0.00 N ATOM 984 CZ ARG A 64 12.324 18.963 -14.785 1.00 0.00 C ATOM 985 NH1 ARG A 64 13.140 19.437 -13.854 1.00 0.00 N ATOM 986 NH2 ARG A 64 12.586 19.185 -16.067 1.00 0.00 N ATOM 0 H ARG A 64 9.411 14.326 -11.406 1.00 0.00 H new ATOM 0 HA ARG A 64 9.068 14.550 -14.258 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.331 15.247 -12.346 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.360 15.607 -14.061 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.142 16.881 -13.658 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.512 16.749 -11.950 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.403 18.849 -12.613 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.791 17.788 -12.473 1.00 0.00 H new ATOM 0 HE ARG A 64 10.641 17.914 -15.177 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.942 19.267 -12.868 1.00 0.00 H new ATOM 0 HH12 ARG A 64 13.966 19.972 -14.124 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.961 18.820 -16.786 1.00 0.00 H new ATOM 0 HH22 ARG A 64 13.412 19.720 -16.333 1.00 0.00 H new ATOM 1000 N ASN A 65 11.143 12.342 -12.983 1.00 0.00 N ATOM 1001 CA ASN A 65 11.950 11.169 -13.298 1.00 0.00 C ATOM 1002 C ASN A 65 11.847 10.125 -12.189 1.00 0.00 C ATOM 1003 O ASN A 65 11.165 10.336 -11.186 1.00 0.00 O ATOM 1004 CB ASN A 65 13.412 11.569 -13.502 1.00 0.00 C ATOM 1005 CG ASN A 65 13.805 12.770 -12.664 1.00 0.00 C ATOM 1006 OD1 ASN A 65 13.697 13.913 -13.109 1.00 0.00 O ATOM 1007 ND2 ASN A 65 14.265 12.516 -11.445 1.00 0.00 N ATOM 0 H ASN A 65 11.045 12.531 -11.986 1.00 0.00 H new ATOM 0 HA ASN A 65 11.568 10.733 -14.221 1.00 0.00 H new ATOM 0 HB2 ASN A 65 14.055 10.726 -13.248 1.00 0.00 H new ATOM 0 HB3 ASN A 65 13.581 11.793 -14.555 1.00 0.00 H new ATOM 0 HD21 ASN A 65 14.546 13.284 -10.836 1.00 0.00 H new ATOM 0 HD22 ASN A 65 14.337 11.553 -11.118 1.00 0.00 H new ATOM 1014 N ARG A 66 12.529 9.001 -12.378 1.00 0.00 N ATOM 1015 CA ARG A 66 12.514 7.924 -11.395 1.00 0.00 C ATOM 1016 C ARG A 66 12.920 8.440 -10.017 1.00 0.00 C ATOM 1017 O ARG A 66 12.182 8.285 -9.044 1.00 0.00 O ATOM 1018 CB ARG A 66 13.454 6.797 -11.826 1.00 0.00 C ATOM 1019 CG ARG A 66 12.787 5.749 -12.701 1.00 0.00 C ATOM 1020 CD ARG A 66 12.408 6.317 -14.060 1.00 0.00 C ATOM 1021 NE ARG A 66 11.441 5.471 -14.756 1.00 0.00 N ATOM 1022 CZ ARG A 66 11.250 5.503 -16.071 1.00 0.00 C ATOM 1023 NH1 ARG A 66 11.955 6.333 -16.827 1.00 0.00 N ATOM 1024 NH2 ARG A 66 10.352 4.703 -16.631 1.00 0.00 N ATOM 0 H ARG A 66 13.099 8.812 -13.202 1.00 0.00 H new ATOM 0 HA ARG A 66 11.497 7.536 -11.334 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.298 7.226 -12.367 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.858 6.312 -10.937 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.461 4.902 -12.834 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.895 5.371 -12.202 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.990 7.316 -13.932 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.304 6.422 -14.672 1.00 0.00 H new ATOM 0 HE ARG A 66 10.883 4.821 -14.203 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.646 6.949 -16.400 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.806 6.355 -17.836 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.808 4.063 -16.052 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.206 4.728 -17.640 1.00 0.00 H new ATOM 1038 N GLN A 67 14.097 9.053 -9.944 1.00 0.00 N ATOM 1039 CA GLN A 67 14.601 9.590 -8.686 1.00 0.00 C ATOM 1040 C GLN A 67 13.529 10.411 -7.976 1.00 0.00 C ATOM 1041 O GLN A 67 13.276 10.222 -6.787 1.00 0.00 O ATOM 1042 CB GLN A 67 15.839 10.453 -8.934 1.00 0.00 C ATOM 1043 CG GLN A 67 17.141 9.667 -8.922 1.00 0.00 C ATOM 1044 CD GLN A 67 17.746 9.563 -7.536 1.00 0.00 C ATOM 1045 OE1 GLN A 67 18.561 10.396 -7.138 1.00 0.00 O ATOM 1046 NE2 GLN A 67 17.351 8.536 -6.793 1.00 0.00 N ATOM 0 H GLN A 67 14.719 9.190 -10.741 1.00 0.00 H new ATOM 0 HA GLN A 67 14.874 8.751 -8.046 1.00 0.00 H new ATOM 0 HB2 GLN A 67 15.736 10.954 -9.896 1.00 0.00 H new ATOM 0 HB3 GLN A 67 15.887 11.232 -8.173 1.00 0.00 H new ATOM 0 HG2 GLN A 67 16.960 8.665 -9.312 1.00 0.00 H new ATOM 0 HG3 GLN A 67 17.856 10.145 -9.592 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.673 7.870 -7.163 1.00 0.00 H new ATOM 0 HE22 GLN A 67 17.725 8.414 -5.852 1.00 0.00 H new ATOM 1055 N GLU A 68 12.904 11.323 -8.714 1.00 0.00 N ATOM 1056 CA GLU A 68 11.860 12.173 -8.154 1.00 0.00 C ATOM 1057 C GLU A 68 10.821 11.340 -7.409 1.00 0.00 C ATOM 1058 O GLU A 68 10.313 11.748 -6.366 1.00 0.00 O ATOM 1059 CB GLU A 68 11.183 12.983 -9.261 1.00 0.00 C ATOM 1060 CG GLU A 68 11.905 14.277 -9.598 1.00 0.00 C ATOM 1061 CD GLU A 68 12.150 15.143 -8.378 1.00 0.00 C ATOM 1062 OE1 GLU A 68 11.186 15.778 -7.899 1.00 0.00 O ATOM 1063 OE2 GLU A 68 13.304 15.188 -7.902 1.00 0.00 O ATOM 0 H GLU A 68 13.102 11.492 -9.700 1.00 0.00 H new ATOM 0 HA GLU A 68 12.326 12.858 -7.446 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.117 12.369 -10.159 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.162 13.215 -8.957 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.859 14.044 -10.071 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.317 14.838 -10.325 1.00 0.00 H new ATOM 1070 N GLY A 69 10.509 10.168 -7.955 1.00 0.00 N ATOM 1071 CA GLY A 69 9.531 9.296 -7.331 1.00 0.00 C ATOM 1072 C GLY A 69 10.075 8.605 -6.096 1.00 0.00 C ATOM 1073 O GLY A 69 9.312 8.118 -5.261 1.00 0.00 O ATOM 0 H GLY A 69 10.916 9.807 -8.818 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.650 9.878 -7.060 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.207 8.545 -8.051 1.00 0.00 H new ATOM 1077 N LEU A 70 11.398 8.561 -5.979 1.00 0.00 N ATOM 1078 CA LEU A 70 12.044 7.923 -4.838 1.00 0.00 C ATOM 1079 C LEU A 70 11.533 8.509 -3.525 1.00 0.00 C ATOM 1080 O LEU A 70 11.135 7.777 -2.620 1.00 0.00 O ATOM 1081 CB LEU A 70 13.562 8.090 -4.927 1.00 0.00 C ATOM 1082 CG LEU A 70 14.398 6.938 -4.368 1.00 0.00 C ATOM 1083 CD1 LEU A 70 13.795 6.422 -3.070 1.00 0.00 C ATOM 1084 CD2 LEU A 70 14.510 5.816 -5.389 1.00 0.00 C ATOM 0 H LEU A 70 12.044 8.960 -6.661 1.00 0.00 H new ATOM 0 HA LEU A 70 11.799 6.861 -4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.831 8.233 -5.974 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.839 9.003 -4.399 1.00 0.00 H new ATOM 0 HG LEU A 70 15.400 7.311 -4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.403 5.603 -2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.767 7.227 -2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.782 6.066 -3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.108 5.005 -4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.514 5.445 -5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.988 6.193 -6.293 1.00 0.00 H new ATOM 1096 N MET A 71 11.545 9.835 -3.431 1.00 0.00 N ATOM 1097 CA MET A 71 11.079 10.519 -2.230 1.00 0.00 C ATOM 1098 C MET A 71 9.606 10.219 -1.970 1.00 0.00 C ATOM 1099 O MET A 71 9.248 9.689 -0.918 1.00 0.00 O ATOM 1100 CB MET A 71 11.288 12.029 -2.365 1.00 0.00 C ATOM 1101 CG MET A 71 12.651 12.407 -2.920 1.00 0.00 C ATOM 1102 SD MET A 71 14.002 11.547 -2.090 1.00 0.00 S ATOM 1103 CE MET A 71 15.233 11.516 -3.390 1.00 0.00 C ATOM 0 H MET A 71 11.872 10.456 -4.171 1.00 0.00 H new ATOM 0 HA MET A 71 11.661 10.153 -1.384 1.00 0.00 H new ATOM 0 HB2 MET A 71 10.514 12.438 -3.015 1.00 0.00 H new ATOM 0 HB3 MET A 71 11.161 12.494 -1.387 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.681 12.179 -3.986 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.794 13.483 -2.820 1.00 0.00 H new ATOM 0 HE1 MET A 71 16.048 10.852 -3.103 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.779 11.156 -4.313 1.00 0.00 H new ATOM 0 HE3 MET A 71 15.623 12.522 -3.546 1.00 0.00 H new ATOM 1113 N ILE A 72 8.758 10.562 -2.934 1.00 0.00 N ATOM 1114 CA ILE A 72 7.325 10.328 -2.808 1.00 0.00 C ATOM 1115 C ILE A 72 7.039 8.905 -2.338 1.00 0.00 C ATOM 1116 O ILE A 72 6.144 8.678 -1.524 1.00 0.00 O ATOM 1117 CB ILE A 72 6.595 10.571 -4.143 1.00 0.00 C ATOM 1118 CG1 ILE A 72 6.861 11.993 -4.642 1.00 0.00 C ATOM 1119 CG2 ILE A 72 5.102 10.331 -3.982 1.00 0.00 C ATOM 1120 CD1 ILE A 72 6.349 13.067 -3.708 1.00 0.00 C ATOM 0 H ILE A 72 9.038 11.003 -3.810 1.00 0.00 H new ATOM 0 HA ILE A 72 6.954 11.035 -2.066 1.00 0.00 H new ATOM 0 HB ILE A 72 6.978 9.868 -4.883 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.934 12.126 -4.782 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.394 12.120 -5.619 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.601 10.507 -4.934 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.931 9.302 -3.666 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.703 11.012 -3.230 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.572 14.049 -4.125 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.271 12.961 -3.587 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.834 12.967 -2.737 1.00 0.00 H new ATOM 1132 N ALA A 73 7.807 7.952 -2.854 1.00 0.00 N ATOM 1133 CA ALA A 73 7.640 6.552 -2.484 1.00 0.00 C ATOM 1134 C ALA A 73 8.013 6.322 -1.023 1.00 0.00 C ATOM 1135 O ALA A 73 7.342 5.575 -0.312 1.00 0.00 O ATOM 1136 CB ALA A 73 8.476 5.662 -3.391 1.00 0.00 C ATOM 0 H ALA A 73 8.551 8.124 -3.530 1.00 0.00 H new ATOM 0 HA ALA A 73 6.589 6.292 -2.609 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.341 4.620 -3.103 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.159 5.796 -4.425 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.528 5.931 -3.296 1.00 0.00 H new ATOM 1142 N SER A 74 9.088 6.968 -0.584 1.00 0.00 N ATOM 1143 CA SER A 74 9.554 6.829 0.791 1.00 0.00 C ATOM 1144 C SER A 74 8.519 7.373 1.772 1.00 0.00 C ATOM 1145 O SER A 74 8.125 6.691 2.718 1.00 0.00 O ATOM 1146 CB SER A 74 10.884 7.561 0.978 1.00 0.00 C ATOM 1147 OG SER A 74 10.698 8.966 0.977 1.00 0.00 O ATOM 0 H SER A 74 9.653 7.593 -1.160 1.00 0.00 H new ATOM 0 HA SER A 74 9.700 5.768 0.994 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.343 7.253 1.917 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.572 7.282 0.180 1.00 0.00 H new ATOM 0 HG SER A 74 10.461 9.264 0.074 1.00 0.00 H new ATOM 1153 N SER A 75 8.084 8.608 1.540 1.00 0.00 N ATOM 1154 CA SER A 75 7.099 9.247 2.404 1.00 0.00 C ATOM 1155 C SER A 75 5.889 8.340 2.611 1.00 0.00 C ATOM 1156 O SER A 75 5.358 8.236 3.717 1.00 0.00 O ATOM 1157 CB SER A 75 6.654 10.582 1.805 1.00 0.00 C ATOM 1158 OG SER A 75 6.725 10.556 0.390 1.00 0.00 O ATOM 0 H SER A 75 8.399 9.186 0.760 1.00 0.00 H new ATOM 0 HA SER A 75 7.565 9.429 3.373 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.633 10.802 2.117 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.284 11.384 2.189 1.00 0.00 H new ATOM 0 HG SER A 75 6.350 9.713 0.059 1.00 0.00 H new ATOM 1164 N LEU A 76 5.457 7.687 1.538 1.00 0.00 N ATOM 1165 CA LEU A 76 4.310 6.788 1.599 1.00 0.00 C ATOM 1166 C LEU A 76 4.496 5.741 2.692 1.00 0.00 C ATOM 1167 O LEU A 76 3.532 5.311 3.327 1.00 0.00 O ATOM 1168 CB LEU A 76 4.102 6.101 0.249 1.00 0.00 C ATOM 1169 CG LEU A 76 3.389 6.928 -0.822 1.00 0.00 C ATOM 1170 CD1 LEU A 76 3.537 6.275 -2.188 1.00 0.00 C ATOM 1171 CD2 LEU A 76 1.919 7.103 -0.470 1.00 0.00 C ATOM 0 H LEU A 76 5.884 7.763 0.615 1.00 0.00 H new ATOM 0 HA LEU A 76 3.427 7.382 1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.076 5.804 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.532 5.187 0.413 1.00 0.00 H new ATOM 0 HG LEU A 76 3.853 7.914 -0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.023 6.878 -2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.594 6.202 -2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.100 5.277 -2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.428 7.694 -1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.442 6.125 -0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.833 7.616 0.488 1.00 0.00 H new ATOM 1183 N LEU A 77 5.743 5.335 2.909 1.00 0.00 N ATOM 1184 CA LEU A 77 6.057 4.339 3.927 1.00 0.00 C ATOM 1185 C LEU A 77 6.116 4.976 5.312 1.00 0.00 C ATOM 1186 O LEU A 77 5.851 4.321 6.319 1.00 0.00 O ATOM 1187 CB LEU A 77 7.389 3.658 3.609 1.00 0.00 C ATOM 1188 CG LEU A 77 7.313 2.419 2.716 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.699 2.027 2.229 1.00 0.00 C ATOM 1190 CD2 LEU A 77 6.662 1.263 3.462 1.00 0.00 C ATOM 0 H LEU A 77 6.552 5.680 2.393 1.00 0.00 H new ATOM 0 HA LEU A 77 5.264 3.591 3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.042 4.387 3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.863 3.375 4.549 1.00 0.00 H new ATOM 0 HG LEU A 77 6.699 2.657 1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.625 1.143 1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.130 2.849 1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.337 1.807 3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.616 0.390 2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.250 1.025 4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.653 1.546 3.761 1.00 0.00 H new ATOM 1202 N ASN A 78 6.464 6.258 5.353 1.00 0.00 N ATOM 1203 CA ASN A 78 6.556 6.984 6.614 1.00 0.00 C ATOM 1204 C ASN A 78 5.173 7.198 7.222 1.00 0.00 C ATOM 1205 O ASN A 78 5.020 7.233 8.442 1.00 0.00 O ATOM 1206 CB ASN A 78 7.246 8.334 6.401 1.00 0.00 C ATOM 1207 CG ASN A 78 8.754 8.239 6.526 1.00 0.00 C ATOM 1208 OD1 ASN A 78 9.283 7.272 7.075 1.00 0.00 O ATOM 1209 ND2 ASN A 78 9.454 9.245 6.016 1.00 0.00 N ATOM 0 H ASN A 78 6.687 6.815 4.528 1.00 0.00 H new ATOM 0 HA ASN A 78 7.149 6.385 7.306 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.990 8.718 5.414 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.868 9.051 7.130 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.473 9.237 6.070 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.973 10.026 5.570 1.00 0.00 H new ATOM 1216 N GLU A 79 4.170 7.339 6.361 1.00 0.00 N ATOM 1217 CA GLU A 79 2.800 7.550 6.813 1.00 0.00 C ATOM 1218 C GLU A 79 2.092 6.217 7.041 1.00 0.00 C ATOM 1219 O GLU A 79 1.221 6.104 7.903 1.00 0.00 O ATOM 1220 CB GLU A 79 2.024 8.384 5.792 1.00 0.00 C ATOM 1221 CG GLU A 79 2.581 9.785 5.602 1.00 0.00 C ATOM 1222 CD GLU A 79 2.000 10.782 6.586 1.00 0.00 C ATOM 1223 OE1 GLU A 79 1.832 10.419 7.769 1.00 0.00 O ATOM 1224 OE2 GLU A 79 1.714 11.925 6.172 1.00 0.00 O ATOM 0 H GLU A 79 4.280 7.311 5.347 1.00 0.00 H new ATOM 0 HA GLU A 79 2.836 8.090 7.759 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.030 7.866 4.833 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.984 8.456 6.109 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.665 9.759 5.714 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.373 10.120 4.586 1.00 0.00 H new ATOM 1231 N GLY A 80 2.471 5.210 6.259 1.00 0.00 N ATOM 1232 CA GLY A 80 1.863 3.899 6.390 1.00 0.00 C ATOM 1233 C GLY A 80 1.142 3.467 5.129 1.00 0.00 C ATOM 1234 O GLY A 80 0.748 2.308 4.998 1.00 0.00 O ATOM 0 H GLY A 80 3.188 5.279 5.537 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.633 3.167 6.633 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.159 3.910 7.222 1.00 0.00 H new ATOM 1238 N TYR A 81 0.967 4.400 4.200 1.00 0.00 N ATOM 1239 CA TYR A 81 0.284 4.110 2.944 1.00 0.00 C ATOM 1240 C TYR A 81 0.798 2.810 2.333 1.00 0.00 C ATOM 1241 O TYR A 81 0.034 2.041 1.746 1.00 0.00 O ATOM 1242 CB TYR A 81 0.477 5.262 1.957 1.00 0.00 C ATOM 1243 CG TYR A 81 -0.176 6.553 2.398 1.00 0.00 C ATOM 1244 CD1 TYR A 81 -1.560 6.680 2.425 1.00 0.00 C ATOM 1245 CD2 TYR A 81 0.590 7.644 2.787 1.00 0.00 C ATOM 1246 CE1 TYR A 81 -2.161 7.857 2.826 1.00 0.00 C ATOM 1247 CE2 TYR A 81 -0.003 8.825 3.191 1.00 0.00 C ATOM 1248 CZ TYR A 81 -1.378 8.927 3.209 1.00 0.00 C ATOM 1249 OH TYR A 81 -1.972 10.102 3.609 1.00 0.00 O ATOM 0 H TYR A 81 1.288 5.364 4.293 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.779 3.996 3.155 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.544 5.434 1.816 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.071 4.971 0.988 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.176 5.844 2.127 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.667 7.568 2.774 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.238 7.940 2.840 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.607 9.664 3.491 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.280 10.754 3.847 1.00 0.00 H new ATOM 1259 N LEU A 82 2.097 2.570 2.474 1.00 0.00 N ATOM 1260 CA LEU A 82 2.715 1.363 1.937 1.00 0.00 C ATOM 1261 C LEU A 82 3.347 0.533 3.049 1.00 0.00 C ATOM 1262 O LEU A 82 3.800 1.074 4.058 1.00 0.00 O ATOM 1263 CB LEU A 82 3.773 1.729 0.894 1.00 0.00 C ATOM 1264 CG LEU A 82 3.249 2.327 -0.412 1.00 0.00 C ATOM 1265 CD1 LEU A 82 4.378 2.990 -1.186 1.00 0.00 C ATOM 1266 CD2 LEU A 82 2.577 1.255 -1.258 1.00 0.00 C ATOM 0 H LEU A 82 2.743 3.196 2.956 1.00 0.00 H new ATOM 0 HA LEU A 82 1.936 0.766 1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.467 2.440 1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.345 0.832 0.656 1.00 0.00 H new ATOM 0 HG LEU A 82 2.507 3.088 -0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.986 3.410 -2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.814 3.786 -0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.144 2.250 -1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.210 1.699 -2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.298 0.471 -1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.741 0.826 -0.705 1.00 0.00 H new ATOM 1278 N GLN A 83 3.376 -0.781 2.857 1.00 0.00 N ATOM 1279 CA GLN A 83 3.955 -1.685 3.844 1.00 0.00 C ATOM 1280 C GLN A 83 5.005 -2.588 3.206 1.00 0.00 C ATOM 1281 O GLN A 83 4.791 -3.177 2.146 1.00 0.00 O ATOM 1282 CB GLN A 83 2.860 -2.535 4.492 1.00 0.00 C ATOM 1283 CG GLN A 83 1.786 -1.715 5.188 1.00 0.00 C ATOM 1284 CD GLN A 83 2.224 -1.215 6.551 1.00 0.00 C ATOM 1285 OE1 GLN A 83 3.002 -1.870 7.245 1.00 0.00 O ATOM 1286 NE2 GLN A 83 1.726 -0.048 6.942 1.00 0.00 N ATOM 0 H GLN A 83 3.005 -1.244 2.027 1.00 0.00 H new ATOM 0 HA GLN A 83 4.440 -1.082 4.612 1.00 0.00 H new ATOM 0 HB2 GLN A 83 2.393 -3.156 3.727 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.316 -3.210 5.216 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.521 -0.864 4.561 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.887 -2.321 5.299 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.084 0.462 6.335 1.00 0.00 H new ATOM 0 HE22 GLN A 83 1.985 0.339 7.849 1.00 0.00 H new ATOM 1295 N PRO A 84 6.168 -2.702 3.864 1.00 0.00 N ATOM 1296 CA PRO A 84 7.275 -3.532 3.380 1.00 0.00 C ATOM 1297 C PRO A 84 6.965 -5.022 3.472 1.00 0.00 C ATOM 1298 O PRO A 84 6.299 -5.471 4.404 1.00 0.00 O ATOM 1299 CB PRO A 84 8.429 -3.166 4.316 1.00 0.00 C ATOM 1300 CG PRO A 84 7.768 -2.696 5.566 1.00 0.00 C ATOM 1301 CD PRO A 84 6.492 -2.028 5.133 1.00 0.00 C ATOM 0 HA PRO A 84 7.490 -3.351 2.327 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.072 -4.025 4.507 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.058 -2.388 3.884 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.564 -3.530 6.237 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.408 -2.000 6.108 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.700 -2.158 5.871 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.627 -0.955 4.995 1.00 0.00 H new ATOM 1309 N ALA A 85 7.453 -5.784 2.498 1.00 0.00 N ATOM 1310 CA ALA A 85 7.230 -7.224 2.471 1.00 0.00 C ATOM 1311 C ALA A 85 8.517 -7.973 2.144 1.00 0.00 C ATOM 1312 O ALA A 85 8.861 -8.156 0.977 1.00 0.00 O ATOM 1313 CB ALA A 85 6.144 -7.572 1.463 1.00 0.00 C ATOM 0 H ALA A 85 8.005 -5.428 1.718 1.00 0.00 H new ATOM 0 HA ALA A 85 6.902 -7.534 3.463 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.988 -8.651 1.454 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.216 -7.074 1.742 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.449 -7.241 0.470 1.00 0.00 H new ATOM 1319 N GLY A 86 9.227 -8.404 3.183 1.00 0.00 N ATOM 1320 CA GLY A 86 10.469 -9.127 2.984 1.00 0.00 C ATOM 1321 C GLY A 86 11.632 -8.497 3.726 1.00 0.00 C ATOM 1322 O GLY A 86 11.609 -7.304 4.031 1.00 0.00 O ATOM 0 H GLY A 86 8.964 -8.265 4.159 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.344 -10.157 3.318 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.698 -9.163 1.919 1.00 0.00 H new ATOM 1326 N ASP A 87 12.650 -9.299 4.018 1.00 0.00 N ATOM 1327 CA ASP A 87 13.826 -8.813 4.729 1.00 0.00 C ATOM 1328 C ASP A 87 14.491 -7.673 3.964 1.00 0.00 C ATOM 1329 O ASP A 87 15.081 -6.772 4.561 1.00 0.00 O ATOM 1330 CB ASP A 87 14.826 -9.951 4.942 1.00 0.00 C ATOM 1331 CG ASP A 87 15.909 -9.590 5.939 1.00 0.00 C ATOM 1332 OD1 ASP A 87 16.651 -8.619 5.683 1.00 0.00 O ATOM 1333 OD2 ASP A 87 16.016 -10.280 6.975 1.00 0.00 O ATOM 0 H ASP A 87 12.684 -10.289 3.773 1.00 0.00 H new ATOM 0 HA ASP A 87 13.503 -8.436 5.700 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.295 -10.837 5.291 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.286 -10.210 3.988 1.00 0.00 H new ATOM 1338 N MET A 88 14.393 -7.719 2.639 1.00 0.00 N ATOM 1339 CA MET A 88 14.985 -6.690 1.793 1.00 0.00 C ATOM 1340 C MET A 88 14.587 -5.297 2.271 1.00 0.00 C ATOM 1341 O MET A 88 15.425 -4.531 2.747 1.00 0.00 O ATOM 1342 CB MET A 88 14.553 -6.885 0.338 1.00 0.00 C ATOM 1343 CG MET A 88 15.149 -5.862 -0.616 1.00 0.00 C ATOM 1344 SD MET A 88 16.792 -6.329 -1.196 1.00 0.00 S ATOM 1345 CE MET A 88 16.849 -5.478 -2.771 1.00 0.00 C ATOM 0 H MET A 88 13.909 -8.458 2.129 1.00 0.00 H new ATOM 0 HA MET A 88 16.069 -6.781 1.858 1.00 0.00 H new ATOM 0 HB2 MET A 88 14.842 -7.884 0.013 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.466 -6.833 0.280 1.00 0.00 H new ATOM 0 HG2 MET A 88 14.486 -5.740 -1.473 1.00 0.00 H new ATOM 0 HG3 MET A 88 15.205 -4.895 -0.117 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.887 -5.333 -3.069 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.335 -6.074 -3.525 1.00 0.00 H new ATOM 0 HE3 MET A 88 16.360 -4.508 -2.679 1.00 0.00 H new ATOM 1355 N SER A 89 13.304 -4.976 2.141 1.00 0.00 N ATOM 1356 CA SER A 89 12.796 -3.673 2.557 1.00 0.00 C ATOM 1357 C SER A 89 12.773 -3.560 4.078 1.00 0.00 C ATOM 1358 O SER A 89 13.203 -2.555 4.645 1.00 0.00 O ATOM 1359 CB SER A 89 11.391 -3.447 1.996 1.00 0.00 C ATOM 1360 OG SER A 89 11.322 -3.819 0.630 1.00 0.00 O ATOM 0 H SER A 89 12.597 -5.600 1.751 1.00 0.00 H new ATOM 0 HA SER A 89 13.464 -2.907 2.163 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.669 -4.026 2.571 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.117 -2.398 2.105 1.00 0.00 H new ATOM 0 HG SER A 89 10.414 -3.667 0.295 1.00 0.00 H new ATOM 1366 N LYS A 90 12.267 -4.598 4.735 1.00 0.00 N ATOM 1367 CA LYS A 90 12.187 -4.619 6.191 1.00 0.00 C ATOM 1368 C LYS A 90 13.438 -4.008 6.813 1.00 0.00 C ATOM 1369 O LYS A 90 13.373 -3.376 7.867 1.00 0.00 O ATOM 1370 CB LYS A 90 12.003 -6.053 6.692 1.00 0.00 C ATOM 1371 CG LYS A 90 10.554 -6.506 6.720 1.00 0.00 C ATOM 1372 CD LYS A 90 10.400 -7.840 7.433 1.00 0.00 C ATOM 1373 CE LYS A 90 9.085 -8.514 7.077 1.00 0.00 C ATOM 1374 NZ LYS A 90 9.132 -9.983 7.317 1.00 0.00 N ATOM 0 H LYS A 90 11.906 -5.437 4.281 1.00 0.00 H new ATOM 0 HA LYS A 90 11.325 -4.023 6.491 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.574 -6.728 6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 90 12.420 -6.135 7.696 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.946 -5.753 7.221 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.179 -6.592 5.700 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.230 -8.495 7.165 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.451 -7.686 8.511 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.281 -8.075 7.667 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.852 -8.324 6.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.217 -10.406 7.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.883 -10.406 6.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.329 -10.164 8.322 1.00 0.00 H new ATOM 1388 N SER A 91 14.576 -4.199 6.152 1.00 0.00 N ATOM 1389 CA SER A 91 15.842 -3.668 6.642 1.00 0.00 C ATOM 1390 C SER A 91 15.963 -2.179 6.334 1.00 0.00 C ATOM 1391 O SER A 91 16.463 -1.404 7.149 1.00 0.00 O ATOM 1392 CB SER A 91 17.014 -4.427 6.015 1.00 0.00 C ATOM 1393 OG SER A 91 17.379 -5.545 6.806 1.00 0.00 O ATOM 0 H SER A 91 14.646 -4.717 5.276 1.00 0.00 H new ATOM 0 HA SER A 91 15.869 -3.800 7.724 1.00 0.00 H new ATOM 0 HB2 SER A 91 16.742 -4.760 5.013 1.00 0.00 H new ATOM 0 HB3 SER A 91 17.868 -3.759 5.908 1.00 0.00 H new ATOM 0 HG SER A 91 17.117 -6.370 6.347 1.00 0.00 H new ATOM 1399 N ALA A 92 15.501 -1.786 5.152 1.00 0.00 N ATOM 1400 CA ALA A 92 15.555 -0.390 4.736 1.00 0.00 C ATOM 1401 C ALA A 92 14.674 0.481 5.624 1.00 0.00 C ATOM 1402 O ALA A 92 15.092 1.548 6.075 1.00 0.00 O ATOM 1403 CB ALA A 92 15.135 -0.257 3.280 1.00 0.00 C ATOM 0 H ALA A 92 15.085 -2.415 4.465 1.00 0.00 H new ATOM 0 HA ALA A 92 16.584 -0.045 4.839 1.00 0.00 H new ATOM 0 HB1 ALA A 92 15.180 0.791 2.983 1.00 0.00 H new ATOM 0 HB2 ALA A 92 15.808 -0.842 2.652 1.00 0.00 H new ATOM 0 HB3 ALA A 92 14.116 -0.625 3.160 1.00 0.00 H new ATOM 1409 N VAL A 93 13.452 0.021 5.872 1.00 0.00 N ATOM 1410 CA VAL A 93 12.512 0.759 6.708 1.00 0.00 C ATOM 1411 C VAL A 93 13.024 0.877 8.139 1.00 0.00 C ATOM 1412 O VAL A 93 12.753 1.862 8.827 1.00 0.00 O ATOM 1413 CB VAL A 93 11.127 0.086 6.723 1.00 0.00 C ATOM 1414 CG1 VAL A 93 10.497 0.127 5.339 1.00 0.00 C ATOM 1415 CG2 VAL A 93 11.236 -1.345 7.226 1.00 0.00 C ATOM 0 H VAL A 93 13.089 -0.859 5.506 1.00 0.00 H new ATOM 0 HA VAL A 93 12.419 1.755 6.276 1.00 0.00 H new ATOM 0 HB VAL A 93 10.481 0.639 7.405 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.519 -0.353 5.370 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.382 1.164 5.022 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.138 -0.400 4.632 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.248 -1.805 7.230 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.898 -1.912 6.571 1.00 0.00 H new ATOM 0 HG23 VAL A 93 11.640 -1.345 8.238 1.00 0.00 H new ATOM 1425 N ASP A 94 13.765 -0.132 8.581 1.00 0.00 N ATOM 1426 CA ASP A 94 14.317 -0.142 9.931 1.00 0.00 C ATOM 1427 C ASP A 94 14.732 1.263 10.358 1.00 0.00 C ATOM 1428 O ASP A 94 14.608 1.629 11.526 1.00 0.00 O ATOM 1429 CB ASP A 94 15.518 -1.086 10.007 1.00 0.00 C ATOM 1430 CG ASP A 94 15.779 -1.577 11.417 1.00 0.00 C ATOM 1431 OD1 ASP A 94 14.816 -2.014 12.082 1.00 0.00 O ATOM 1432 OD2 ASP A 94 16.947 -1.526 11.856 1.00 0.00 O ATOM 0 H ASP A 94 13.998 -0.954 8.024 1.00 0.00 H new ATOM 0 HA ASP A 94 13.542 -0.496 10.611 1.00 0.00 H new ATOM 0 HB2 ASP A 94 15.346 -1.941 9.353 1.00 0.00 H new ATOM 0 HB3 ASP A 94 16.404 -0.573 9.634 1.00 0.00 H new ATOM 1437 N GLY A 95 15.226 2.045 9.403 1.00 0.00 N ATOM 1438 CA GLY A 95 15.652 3.400 9.700 1.00 0.00 C ATOM 1439 C GLY A 95 17.129 3.615 9.434 1.00 0.00 C ATOM 1440 O GLY A 95 17.687 3.048 8.495 1.00 0.00 O ATOM 0 H GLY A 95 15.339 1.764 8.429 1.00 0.00 H new ATOM 0 HA2 GLY A 95 15.072 4.100 9.099 1.00 0.00 H new ATOM 0 HA3 GLY A 95 15.438 3.624 10.745 1.00 0.00 H new ATOM 1444 N THR A 96 17.764 4.439 10.261 1.00 0.00 N ATOM 1445 CA THR A 96 19.184 4.730 10.109 1.00 0.00 C ATOM 1446 C THR A 96 19.567 4.846 8.638 1.00 0.00 C ATOM 1447 O THR A 96 20.591 4.315 8.209 1.00 0.00 O ATOM 1448 CB THR A 96 20.054 3.645 10.770 1.00 0.00 C ATOM 1449 OG1 THR A 96 19.475 2.353 10.552 1.00 0.00 O ATOM 1450 CG2 THR A 96 20.194 3.898 12.263 1.00 0.00 C ATOM 0 H THR A 96 17.317 4.917 11.043 1.00 0.00 H new ATOM 0 HA THR A 96 19.366 5.683 10.605 1.00 0.00 H new ATOM 0 HB THR A 96 21.045 3.680 10.318 1.00 0.00 H new ATOM 0 HG1 THR A 96 19.349 2.209 9.591 1.00 0.00 H new ATOM 0 HG21 THR A 96 20.813 3.119 12.708 1.00 0.00 H new ATOM 0 HG22 THR A 96 20.662 4.869 12.425 1.00 0.00 H new ATOM 0 HG23 THR A 96 19.208 3.888 12.728 1.00 0.00 H new ATOM 1458 N ALA A 97 18.738 5.545 7.869 1.00 0.00 N ATOM 1459 CA ALA A 97 18.991 5.732 6.446 1.00 0.00 C ATOM 1460 C ALA A 97 18.297 6.986 5.925 1.00 0.00 C ATOM 1461 O ALA A 97 17.491 7.597 6.627 1.00 0.00 O ATOM 1462 CB ALA A 97 18.535 4.510 5.663 1.00 0.00 C ATOM 0 H ALA A 97 17.886 5.991 8.208 1.00 0.00 H new ATOM 0 HA ALA A 97 20.065 5.858 6.307 1.00 0.00 H new ATOM 0 HB1 ALA A 97 18.730 4.664 4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 97 19.081 3.632 6.009 1.00 0.00 H new ATOM 0 HB3 ALA A 97 17.467 4.357 5.817 1.00 0.00 H new ATOM 1468 N GLU A 98 18.615 7.364 4.691 1.00 0.00 N ATOM 1469 CA GLU A 98 18.022 8.547 4.078 1.00 0.00 C ATOM 1470 C GLU A 98 16.626 8.240 3.543 1.00 0.00 C ATOM 1471 O GLU A 98 15.708 9.048 3.674 1.00 0.00 O ATOM 1472 CB GLU A 98 18.913 9.064 2.947 1.00 0.00 C ATOM 1473 CG GLU A 98 20.372 9.215 3.341 1.00 0.00 C ATOM 1474 CD GLU A 98 20.629 10.467 4.157 1.00 0.00 C ATOM 1475 OE1 GLU A 98 20.889 11.528 3.552 1.00 0.00 O ATOM 1476 OE2 GLU A 98 20.569 10.386 5.402 1.00 0.00 O ATOM 0 H GLU A 98 19.279 6.869 4.096 1.00 0.00 H new ATOM 0 HA GLU A 98 17.937 9.318 4.844 1.00 0.00 H new ATOM 0 HB2 GLU A 98 18.843 8.381 2.100 1.00 0.00 H new ATOM 0 HB3 GLU A 98 18.535 10.029 2.610 1.00 0.00 H new ATOM 0 HG2 GLU A 98 20.682 8.342 3.915 1.00 0.00 H new ATOM 0 HG3 GLU A 98 20.987 9.240 2.441 1.00 0.00 H new ATOM 1483 N ASN A 99 16.476 7.066 2.937 1.00 0.00 N ATOM 1484 CA ASN A 99 15.194 6.652 2.380 1.00 0.00 C ATOM 1485 C ASN A 99 14.941 5.171 2.640 1.00 0.00 C ATOM 1486 O ASN A 99 15.663 4.298 2.158 1.00 0.00 O ATOM 1487 CB ASN A 99 15.153 6.932 0.876 1.00 0.00 C ATOM 1488 CG ASN A 99 15.203 8.415 0.562 1.00 0.00 C ATOM 1489 OD1 ASN A 99 14.168 9.072 0.449 1.00 0.00 O ATOM 1490 ND2 ASN A 99 16.410 8.949 0.420 1.00 0.00 N ATOM 0 H ASN A 99 17.226 6.385 2.820 1.00 0.00 H new ATOM 0 HA ASN A 99 14.410 7.228 2.871 1.00 0.00 H new ATOM 0 HB2 ASN A 99 15.993 6.433 0.393 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.243 6.505 0.454 1.00 0.00 H new ATOM 0 HD21 ASN A 99 16.507 9.942 0.209 1.00 0.00 H new ATOM 0 HD22 ASN A 99 17.241 8.366 0.522 1.00 0.00 H new ATOM 1497 N PRO A 100 13.890 4.878 3.420 1.00 0.00 N ATOM 1498 CA PRO A 100 13.516 3.502 3.762 1.00 0.00 C ATOM 1499 C PRO A 100 12.963 2.738 2.563 1.00 0.00 C ATOM 1500 O PRO A 100 12.661 1.548 2.659 1.00 0.00 O ATOM 1501 CB PRO A 100 12.431 3.683 4.826 1.00 0.00 C ATOM 1502 CG PRO A 100 11.852 5.028 4.553 1.00 0.00 C ATOM 1503 CD PRO A 100 12.985 5.868 4.029 1.00 0.00 C ATOM 0 HA PRO A 100 14.372 2.919 4.102 1.00 0.00 H new ATOM 0 HB2 PRO A 100 11.672 2.904 4.754 1.00 0.00 H new ATOM 0 HB3 PRO A 100 12.849 3.629 5.831 1.00 0.00 H new ATOM 0 HG2 PRO A 100 11.044 4.964 3.824 1.00 0.00 H new ATOM 0 HG3 PRO A 100 11.431 5.463 5.459 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.639 6.599 3.298 1.00 0.00 H new ATOM 0 HD3 PRO A 100 13.476 6.424 4.828 1.00 0.00 H new ATOM 1511 N PHE A 101 12.835 3.428 1.435 1.00 0.00 N ATOM 1512 CA PHE A 101 12.318 2.813 0.218 1.00 0.00 C ATOM 1513 C PHE A 101 13.459 2.324 -0.671 1.00 0.00 C ATOM 1514 O PHE A 101 14.602 2.760 -0.530 1.00 0.00 O ATOM 1515 CB PHE A 101 11.449 3.809 -0.552 1.00 0.00 C ATOM 1516 CG PHE A 101 10.495 3.156 -1.511 1.00 0.00 C ATOM 1517 CD1 PHE A 101 10.888 2.856 -2.805 1.00 0.00 C ATOM 1518 CD2 PHE A 101 9.204 2.841 -1.118 1.00 0.00 C ATOM 1519 CE1 PHE A 101 10.012 2.255 -3.689 1.00 0.00 C ATOM 1520 CE2 PHE A 101 8.323 2.240 -1.997 1.00 0.00 C ATOM 1521 CZ PHE A 101 8.728 1.946 -3.284 1.00 0.00 C ATOM 0 H PHE A 101 13.082 4.413 1.338 1.00 0.00 H new ATOM 0 HA PHE A 101 11.710 1.955 0.504 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.882 4.410 0.159 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.095 4.492 -1.103 1.00 0.00 H new ATOM 0 HD1 PHE A 101 11.891 3.095 -3.127 1.00 0.00 H new ATOM 0 HD2 PHE A 101 8.882 3.068 -0.112 1.00 0.00 H new ATOM 0 HE1 PHE A 101 10.331 2.027 -4.695 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.319 2.001 -1.678 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.042 1.475 -3.973 1.00 0.00 H new ATOM 1531 N LEU A 102 13.140 1.413 -1.584 1.00 0.00 N ATOM 1532 CA LEU A 102 14.136 0.863 -2.496 1.00 0.00 C ATOM 1533 C LEU A 102 13.592 0.790 -3.919 1.00 0.00 C ATOM 1534 O LEU A 102 12.621 0.081 -4.187 1.00 0.00 O ATOM 1535 CB LEU A 102 14.568 -0.529 -2.031 1.00 0.00 C ATOM 1536 CG LEU A 102 14.859 -0.678 -0.537 1.00 0.00 C ATOM 1537 CD1 LEU A 102 14.786 -2.139 -0.122 1.00 0.00 C ATOM 1538 CD2 LEU A 102 16.223 -0.092 -0.199 1.00 0.00 C ATOM 0 H LEU A 102 12.199 1.040 -1.712 1.00 0.00 H new ATOM 0 HA LEU A 102 15.001 1.526 -2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.786 -1.239 -2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 102 15.462 -0.814 -2.585 1.00 0.00 H new ATOM 0 HG LEU A 102 14.101 -0.126 0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.996 -2.225 0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.788 -2.526 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 102 15.522 -2.714 -0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.414 -0.206 0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 102 16.994 -0.616 -0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.239 0.966 -0.459 1.00 0.00 H new ATOM 1550 N ASP A 103 14.224 1.525 -4.827 1.00 0.00 N ATOM 1551 CA ASP A 103 13.805 1.541 -6.224 1.00 0.00 C ATOM 1552 C ASP A 103 14.269 0.280 -6.945 1.00 0.00 C ATOM 1553 O ASP A 103 14.732 0.339 -8.083 1.00 0.00 O ATOM 1554 CB ASP A 103 14.357 2.780 -6.930 1.00 0.00 C ATOM 1555 CG ASP A 103 14.090 2.764 -8.422 1.00 0.00 C ATOM 1556 OD1 ASP A 103 13.003 2.298 -8.825 1.00 0.00 O ATOM 1557 OD2 ASP A 103 14.966 3.219 -9.186 1.00 0.00 O ATOM 0 H ASP A 103 15.028 2.118 -4.621 1.00 0.00 H new ATOM 0 HA ASP A 103 12.716 1.573 -6.251 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.909 3.673 -6.493 1.00 0.00 H new ATOM 0 HB3 ASP A 103 15.431 2.845 -6.757 1.00 0.00 H new ATOM 1562 N ASN A 104 14.142 -0.860 -6.274 1.00 0.00 N ATOM 1563 CA ASN A 104 14.550 -2.136 -6.851 1.00 0.00 C ATOM 1564 C ASN A 104 13.334 -2.982 -7.215 1.00 0.00 C ATOM 1565 O ASN A 104 12.323 -2.996 -6.513 1.00 0.00 O ATOM 1566 CB ASN A 104 15.442 -2.901 -5.870 1.00 0.00 C ATOM 1567 CG ASN A 104 16.918 -2.692 -6.147 1.00 0.00 C ATOM 1568 OD1 ASN A 104 17.300 -2.243 -7.228 1.00 0.00 O ATOM 1569 ND2 ASN A 104 17.755 -3.017 -5.169 1.00 0.00 N ATOM 0 H ASN A 104 13.760 -0.927 -5.331 1.00 0.00 H new ATOM 0 HA ASN A 104 15.114 -1.931 -7.761 1.00 0.00 H new ATOM 0 HB2 ASN A 104 15.217 -2.580 -4.853 1.00 0.00 H new ATOM 0 HB3 ASN A 104 15.211 -3.965 -5.927 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.760 -2.898 -5.297 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.393 -3.386 -4.290 1.00 0.00 H new ATOM 1576 N PRO A 105 13.432 -3.706 -8.340 1.00 0.00 N ATOM 1577 CA PRO A 105 12.351 -4.569 -8.824 1.00 0.00 C ATOM 1578 C PRO A 105 12.146 -5.793 -7.938 1.00 0.00 C ATOM 1579 O PRO A 105 11.285 -6.630 -8.209 1.00 0.00 O ATOM 1580 CB PRO A 105 12.828 -4.990 -10.216 1.00 0.00 C ATOM 1581 CG PRO A 105 14.313 -4.882 -10.156 1.00 0.00 C ATOM 1582 CD PRO A 105 14.608 -3.737 -9.227 1.00 0.00 C ATOM 0 HA PRO A 105 11.390 -4.055 -8.826 1.00 0.00 H new ATOM 0 HB2 PRO A 105 12.514 -6.007 -10.451 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.415 -4.342 -10.989 1.00 0.00 H new ATOM 0 HG2 PRO A 105 14.757 -5.807 -9.788 1.00 0.00 H new ATOM 0 HG3 PRO A 105 14.731 -4.699 -11.146 1.00 0.00 H new ATOM 0 HD2 PRO A 105 15.529 -3.900 -8.668 1.00 0.00 H new ATOM 0 HD3 PRO A 105 14.727 -2.799 -9.770 1.00 0.00 H new ATOM 1590 N ASP A 106 12.942 -5.891 -6.879 1.00 0.00 N ATOM 1591 CA ASP A 106 12.847 -7.012 -5.952 1.00 0.00 C ATOM 1592 C ASP A 106 12.085 -6.613 -4.692 1.00 0.00 C ATOM 1593 O ASP A 106 11.317 -7.402 -4.142 1.00 0.00 O ATOM 1594 CB ASP A 106 14.243 -7.515 -5.581 1.00 0.00 C ATOM 1595 CG ASP A 106 14.970 -8.127 -6.762 1.00 0.00 C ATOM 1596 OD1 ASP A 106 15.461 -7.361 -7.618 1.00 0.00 O ATOM 1597 OD2 ASP A 106 15.048 -9.371 -6.831 1.00 0.00 O ATOM 0 H ASP A 106 13.661 -5.207 -6.641 1.00 0.00 H new ATOM 0 HA ASP A 106 12.300 -7.815 -6.447 1.00 0.00 H new ATOM 0 HB2 ASP A 106 14.831 -6.687 -5.185 1.00 0.00 H new ATOM 0 HB3 ASP A 106 14.160 -8.256 -4.786 1.00 0.00 H new ATOM 1602 N ALA A 107 12.305 -5.383 -4.239 1.00 0.00 N ATOM 1603 CA ALA A 107 11.639 -4.879 -3.044 1.00 0.00 C ATOM 1604 C ALA A 107 10.123 -4.968 -3.182 1.00 0.00 C ATOM 1605 O ALA A 107 9.521 -4.268 -3.997 1.00 0.00 O ATOM 1606 CB ALA A 107 12.063 -3.443 -2.770 1.00 0.00 C ATOM 0 H ALA A 107 12.939 -4.717 -4.681 1.00 0.00 H new ATOM 0 HA ALA A 107 11.938 -5.502 -2.201 1.00 0.00 H new ATOM 0 HB1 ALA A 107 11.558 -3.079 -1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 107 13.142 -3.405 -2.619 1.00 0.00 H new ATOM 0 HB3 ALA A 107 11.793 -2.816 -3.619 1.00 0.00 H new ATOM 1612 N PHE A 108 9.511 -5.833 -2.381 1.00 0.00 N ATOM 1613 CA PHE A 108 8.064 -6.015 -2.414 1.00 0.00 C ATOM 1614 C PHE A 108 7.365 -4.976 -1.542 1.00 0.00 C ATOM 1615 O PHE A 108 7.934 -4.481 -0.569 1.00 0.00 O ATOM 1616 CB PHE A 108 7.695 -7.423 -1.945 1.00 0.00 C ATOM 1617 CG PHE A 108 8.470 -8.508 -2.636 1.00 0.00 C ATOM 1618 CD1 PHE A 108 8.701 -8.452 -4.001 1.00 0.00 C ATOM 1619 CD2 PHE A 108 8.969 -9.585 -1.920 1.00 0.00 C ATOM 1620 CE1 PHE A 108 9.415 -9.448 -4.640 1.00 0.00 C ATOM 1621 CE2 PHE A 108 9.683 -10.584 -2.553 1.00 0.00 C ATOM 1622 CZ PHE A 108 9.906 -10.516 -3.915 1.00 0.00 C ATOM 0 H PHE A 108 9.994 -6.419 -1.701 1.00 0.00 H new ATOM 0 HA PHE A 108 7.730 -5.884 -3.443 1.00 0.00 H new ATOM 0 HB2 PHE A 108 7.864 -7.495 -0.871 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.630 -7.585 -2.112 1.00 0.00 H new ATOM 0 HD1 PHE A 108 8.318 -7.620 -4.573 1.00 0.00 H new ATOM 0 HD2 PHE A 108 8.798 -9.644 -0.855 1.00 0.00 H new ATOM 0 HE1 PHE A 108 9.589 -9.391 -5.704 1.00 0.00 H new ATOM 0 HE2 PHE A 108 10.067 -11.418 -1.984 1.00 0.00 H new ATOM 0 HZ PHE A 108 10.463 -11.297 -4.412 1.00 0.00 H new ATOM 1632 N TYR A 109 6.127 -4.650 -1.899 1.00 0.00 N ATOM 1633 CA TYR A 109 5.350 -3.668 -1.151 1.00 0.00 C ATOM 1634 C TYR A 109 3.855 -3.925 -1.306 1.00 0.00 C ATOM 1635 O TYR A 109 3.411 -4.497 -2.302 1.00 0.00 O ATOM 1636 CB TYR A 109 5.687 -2.253 -1.624 1.00 0.00 C ATOM 1637 CG TYR A 109 7.014 -1.742 -1.109 1.00 0.00 C ATOM 1638 CD1 TYR A 109 7.219 -1.530 0.248 1.00 0.00 C ATOM 1639 CD2 TYR A 109 8.062 -1.472 -1.980 1.00 0.00 C ATOM 1640 CE1 TYR A 109 8.429 -1.063 0.723 1.00 0.00 C ATOM 1641 CE2 TYR A 109 9.276 -1.006 -1.514 1.00 0.00 C ATOM 1642 CZ TYR A 109 9.455 -0.803 -0.162 1.00 0.00 C ATOM 1643 OH TYR A 109 10.662 -0.338 0.308 1.00 0.00 O ATOM 0 H TYR A 109 5.641 -5.051 -2.701 1.00 0.00 H new ATOM 0 HA TYR A 109 5.610 -3.763 -0.097 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.699 -2.237 -2.714 1.00 0.00 H new ATOM 0 HB3 TYR A 109 4.897 -1.574 -1.304 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.419 -1.734 0.944 1.00 0.00 H new ATOM 0 HD2 TYR A 109 7.925 -1.629 -3.040 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.571 -0.902 1.781 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.081 -0.802 -2.205 1.00 0.00 H new ATOM 0 HH TYR A 109 11.277 -0.206 -0.444 1.00 0.00 H new ATOM 1653 N TYR A 110 3.082 -3.499 -0.313 1.00 0.00 N ATOM 1654 CA TYR A 110 1.636 -3.683 -0.336 1.00 0.00 C ATOM 1655 C TYR A 110 0.937 -2.613 0.496 1.00 0.00 C ATOM 1656 O TYR A 110 1.533 -2.023 1.398 1.00 0.00 O ATOM 1657 CB TYR A 110 1.270 -5.073 0.189 1.00 0.00 C ATOM 1658 CG TYR A 110 1.563 -5.261 1.660 1.00 0.00 C ATOM 1659 CD1 TYR A 110 0.674 -4.810 2.628 1.00 0.00 C ATOM 1660 CD2 TYR A 110 2.728 -5.889 2.082 1.00 0.00 C ATOM 1661 CE1 TYR A 110 0.937 -4.979 3.974 1.00 0.00 C ATOM 1662 CE2 TYR A 110 2.999 -6.063 3.426 1.00 0.00 C ATOM 1663 CZ TYR A 110 2.101 -5.607 4.368 1.00 0.00 C ATOM 1664 OH TYR A 110 2.367 -5.778 5.707 1.00 0.00 O ATOM 0 H TYR A 110 3.433 -3.024 0.518 1.00 0.00 H new ATOM 0 HA TYR A 110 1.300 -3.591 -1.369 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.209 -5.251 0.013 1.00 0.00 H new ATOM 0 HB3 TYR A 110 1.818 -5.823 -0.381 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -0.238 -4.319 2.323 1.00 0.00 H new ATOM 0 HD2 TYR A 110 3.434 -6.247 1.347 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.236 -4.622 4.713 1.00 0.00 H new ATOM 0 HE2 TYR A 110 3.909 -6.554 3.737 1.00 0.00 H new ATOM 0 HH TYR A 110 3.226 -6.238 5.814 1.00 0.00 H new ATOM 1674 N PHE A 111 -0.332 -2.368 0.188 1.00 0.00 N ATOM 1675 CA PHE A 111 -1.115 -1.369 0.906 1.00 0.00 C ATOM 1676 C PHE A 111 -1.771 -1.977 2.142 1.00 0.00 C ATOM 1677 O PHE A 111 -2.173 -3.141 2.153 1.00 0.00 O ATOM 1678 CB PHE A 111 -2.183 -0.771 -0.012 1.00 0.00 C ATOM 1679 CG PHE A 111 -1.644 -0.293 -1.329 1.00 0.00 C ATOM 1680 CD1 PHE A 111 -0.726 0.744 -1.381 1.00 0.00 C ATOM 1681 CD2 PHE A 111 -2.053 -0.881 -2.515 1.00 0.00 C ATOM 1682 CE1 PHE A 111 -0.228 1.186 -2.593 1.00 0.00 C ATOM 1683 CE2 PHE A 111 -1.558 -0.443 -3.729 1.00 0.00 C ATOM 1684 CZ PHE A 111 -0.644 0.591 -3.768 1.00 0.00 C ATOM 0 H PHE A 111 -0.841 -2.848 -0.555 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.439 -0.577 1.229 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.954 -1.520 -0.195 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.664 0.063 0.499 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.396 1.212 -0.465 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.767 -1.691 -2.491 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.486 1.996 -2.621 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.886 -0.909 -4.646 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.255 0.934 -4.715 1.00 0.00 H new ATOM 1694 N PRO A 112 -1.882 -1.172 3.209 1.00 0.00 N ATOM 1695 CA PRO A 112 -2.489 -1.608 4.470 1.00 0.00 C ATOM 1696 C PRO A 112 -3.995 -1.817 4.347 1.00 0.00 C ATOM 1697 O PRO A 112 -4.556 -2.732 4.950 1.00 0.00 O ATOM 1698 CB PRO A 112 -2.185 -0.454 5.428 1.00 0.00 C ATOM 1699 CG PRO A 112 -2.025 0.737 4.547 1.00 0.00 C ATOM 1700 CD PRO A 112 -1.425 0.227 3.266 1.00 0.00 C ATOM 0 HA PRO A 112 -2.095 -2.569 4.801 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -2.994 -0.311 6.145 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -1.279 -0.645 6.004 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -2.986 1.218 4.363 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.379 1.482 5.011 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -1.771 0.798 2.405 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.337 0.294 3.277 1.00 0.00 H new ATOM 1708 N ASP A 113 -4.643 -0.963 3.563 1.00 0.00 N ATOM 1709 CA ASP A 113 -6.085 -1.054 3.360 1.00 0.00 C ATOM 1710 C ASP A 113 -6.431 -2.222 2.442 1.00 0.00 C ATOM 1711 O ASP A 113 -7.355 -2.988 2.717 1.00 0.00 O ATOM 1712 CB ASP A 113 -6.622 0.251 2.771 1.00 0.00 C ATOM 1713 CG ASP A 113 -8.075 0.493 3.130 1.00 0.00 C ATOM 1714 OD1 ASP A 113 -8.399 0.475 4.336 1.00 0.00 O ATOM 1715 OD2 ASP A 113 -8.889 0.700 2.205 1.00 0.00 O ATOM 0 H ASP A 113 -4.193 -0.200 3.057 1.00 0.00 H new ATOM 0 HA ASP A 113 -6.554 -1.225 4.329 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -6.018 1.084 3.131 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -6.518 0.227 1.686 1.00 0.00 H new ATOM 1720 N SER A 114 -5.684 -2.351 1.350 1.00 0.00 N ATOM 1721 CA SER A 114 -5.915 -3.423 0.389 1.00 0.00 C ATOM 1722 C SER A 114 -6.014 -4.773 1.093 1.00 0.00 C ATOM 1723 O SER A 114 -5.842 -4.866 2.307 1.00 0.00 O ATOM 1724 CB SER A 114 -4.792 -3.457 -0.649 1.00 0.00 C ATOM 1725 OG SER A 114 -4.870 -2.344 -1.522 1.00 0.00 O ATOM 0 H SER A 114 -4.914 -1.727 1.109 1.00 0.00 H new ATOM 0 HA SER A 114 -6.861 -3.227 -0.116 1.00 0.00 H new ATOM 0 HB2 SER A 114 -3.826 -3.460 -0.144 1.00 0.00 H new ATOM 0 HB3 SER A 114 -4.853 -4.380 -1.225 1.00 0.00 H new ATOM 0 HG SER A 114 -4.662 -2.630 -2.436 1.00 0.00 H new ATOM 1731 N GLY A 115 -6.292 -5.818 0.319 1.00 0.00 N ATOM 1732 CA GLY A 115 -6.409 -7.149 0.885 1.00 0.00 C ATOM 1733 C GLY A 115 -5.182 -8.000 0.623 1.00 0.00 C ATOM 1734 O GLY A 115 -5.163 -8.804 -0.309 1.00 0.00 O ATOM 0 H GLY A 115 -6.438 -5.766 -0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.570 -7.070 1.960 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -7.286 -7.643 0.466 1.00 0.00 H new ATOM 1738 N PHE A 116 -4.154 -7.823 1.447 1.00 0.00 N ATOM 1739 CA PHE A 116 -2.916 -8.580 1.298 1.00 0.00 C ATOM 1740 C PHE A 116 -2.768 -9.606 2.417 1.00 0.00 C ATOM 1741 O PHE A 116 -3.322 -9.440 3.504 1.00 0.00 O ATOM 1742 CB PHE A 116 -1.713 -7.634 1.296 1.00 0.00 C ATOM 1743 CG PHE A 116 -0.424 -8.303 1.679 1.00 0.00 C ATOM 1744 CD1 PHE A 116 -0.149 -8.598 3.005 1.00 0.00 C ATOM 1745 CD2 PHE A 116 0.512 -8.636 0.714 1.00 0.00 C ATOM 1746 CE1 PHE A 116 1.036 -9.214 3.361 1.00 0.00 C ATOM 1747 CE2 PHE A 116 1.699 -9.252 1.064 1.00 0.00 C ATOM 1748 CZ PHE A 116 1.961 -9.541 2.389 1.00 0.00 C ATOM 0 H PHE A 116 -4.154 -7.162 2.224 1.00 0.00 H new ATOM 0 HA PHE A 116 -2.955 -9.110 0.346 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -1.606 -7.198 0.303 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.906 -6.812 1.986 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -0.869 -8.344 3.769 1.00 0.00 H new ATOM 0 HD2 PHE A 116 0.312 -8.412 -0.323 1.00 0.00 H new ATOM 0 HE1 PHE A 116 1.238 -9.439 4.398 1.00 0.00 H new ATOM 0 HE2 PHE A 116 2.421 -9.507 0.302 1.00 0.00 H new ATOM 0 HZ PHE A 116 2.888 -10.022 2.665 1.00 0.00 H new ATOM 1758 N PHE A 117 -2.018 -10.668 2.143 1.00 0.00 N ATOM 1759 CA PHE A 117 -1.798 -11.723 3.125 1.00 0.00 C ATOM 1760 C PHE A 117 -0.716 -12.690 2.652 1.00 0.00 C ATOM 1761 O PHE A 117 -0.780 -13.213 1.538 1.00 0.00 O ATOM 1762 CB PHE A 117 -3.099 -12.484 3.387 1.00 0.00 C ATOM 1763 CG PHE A 117 -3.338 -13.612 2.425 1.00 0.00 C ATOM 1764 CD1 PHE A 117 -2.657 -14.811 2.559 1.00 0.00 C ATOM 1765 CD2 PHE A 117 -4.244 -13.473 1.386 1.00 0.00 C ATOM 1766 CE1 PHE A 117 -2.875 -15.850 1.674 1.00 0.00 C ATOM 1767 CE2 PHE A 117 -4.466 -14.509 0.498 1.00 0.00 C ATOM 1768 CZ PHE A 117 -3.782 -15.699 0.643 1.00 0.00 C ATOM 0 H PHE A 117 -1.552 -10.821 1.249 1.00 0.00 H new ATOM 0 HA PHE A 117 -1.464 -11.258 4.052 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -3.080 -12.881 4.402 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -3.935 -11.787 3.332 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -1.948 -14.935 3.364 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -4.783 -12.545 1.268 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -2.337 -16.779 1.788 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -5.174 -14.387 -0.308 1.00 0.00 H new ATOM 0 HZ PHE A 117 -3.956 -16.511 -0.048 1.00 0.00 H new ATOM 1778 N CYS A 118 0.276 -12.921 3.504 1.00 0.00 N ATOM 1779 CA CYS A 118 1.373 -13.824 3.173 1.00 0.00 C ATOM 1780 C CYS A 118 1.037 -15.257 3.572 1.00 0.00 C ATOM 1781 O CYS A 118 0.436 -15.495 4.619 1.00 0.00 O ATOM 1782 CB CYS A 118 2.658 -13.376 3.871 1.00 0.00 C ATOM 1783 SG CYS A 118 2.730 -13.799 5.628 1.00 0.00 S ATOM 0 H CYS A 118 0.344 -12.496 4.429 1.00 0.00 H new ATOM 0 HA CYS A 118 1.524 -13.792 2.094 1.00 0.00 H new ATOM 0 HB2 CYS A 118 3.511 -13.828 3.364 1.00 0.00 H new ATOM 0 HB3 CYS A 118 2.759 -12.296 3.764 1.00 0.00 H new ATOM 0 HG CYS A 118 1.764 -14.620 5.917 1.00 0.00 H new ATOM 1789 N GLU A 119 1.428 -16.208 2.728 1.00 0.00 N ATOM 1790 CA GLU A 119 1.165 -17.617 2.992 1.00 0.00 C ATOM 1791 C GLU A 119 2.458 -18.427 2.963 1.00 0.00 C ATOM 1792 O GLU A 119 3.143 -18.484 1.943 1.00 0.00 O ATOM 1793 CB GLU A 119 0.178 -18.176 1.965 1.00 0.00 C ATOM 1794 CG GLU A 119 0.262 -17.497 0.609 1.00 0.00 C ATOM 1795 CD GLU A 119 -0.742 -18.051 -0.384 1.00 0.00 C ATOM 1796 OE1 GLU A 119 -1.958 -17.903 -0.144 1.00 0.00 O ATOM 1797 OE2 GLU A 119 -0.310 -18.633 -1.401 1.00 0.00 O ATOM 0 H GLU A 119 1.927 -16.028 1.857 1.00 0.00 H new ATOM 0 HA GLU A 119 0.728 -17.698 3.987 1.00 0.00 H new ATOM 0 HB2 GLU A 119 0.362 -19.243 1.840 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.835 -18.071 2.353 1.00 0.00 H new ATOM 0 HG2 GLU A 119 0.094 -16.427 0.732 1.00 0.00 H new ATOM 0 HG3 GLU A 119 1.268 -17.618 0.208 1.00 0.00 H new ATOM 1804 N GLU A 120 2.785 -19.049 4.092 1.00 0.00 N ATOM 1805 CA GLU A 120 3.997 -19.854 4.196 1.00 0.00 C ATOM 1806 C GLU A 120 3.861 -21.147 3.398 1.00 0.00 C ATOM 1807 O GLU A 120 3.053 -22.013 3.732 1.00 0.00 O ATOM 1808 CB GLU A 120 4.299 -20.174 5.661 1.00 0.00 C ATOM 1809 CG GLU A 120 5.152 -19.123 6.351 1.00 0.00 C ATOM 1810 CD GLU A 120 6.638 -19.399 6.218 1.00 0.00 C ATOM 1811 OE1 GLU A 120 7.023 -20.134 5.285 1.00 0.00 O ATOM 1812 OE2 GLU A 120 7.414 -18.881 7.048 1.00 0.00 O ATOM 0 H GLU A 120 2.229 -19.011 4.946 1.00 0.00 H new ATOM 0 HA GLU A 120 4.823 -19.277 3.781 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.359 -20.279 6.202 1.00 0.00 H new ATOM 0 HB3 GLU A 120 4.808 -21.136 5.716 1.00 0.00 H new ATOM 0 HG2 GLU A 120 4.929 -18.144 5.928 1.00 0.00 H new ATOM 0 HG3 GLU A 120 4.887 -19.081 7.407 1.00 0.00 H new ATOM 1819 N ASN A 121 4.659 -21.271 2.342 1.00 0.00 N ATOM 1820 CA ASN A 121 4.627 -22.458 1.495 1.00 0.00 C ATOM 1821 C ASN A 121 5.488 -23.571 2.086 1.00 0.00 C ATOM 1822 O ASN A 121 6.239 -24.234 1.372 1.00 0.00 O ATOM 1823 CB ASN A 121 5.113 -22.117 0.085 1.00 0.00 C ATOM 1824 CG ASN A 121 4.591 -23.088 -0.957 1.00 0.00 C ATOM 1825 OD1 ASN A 121 3.515 -23.665 -0.799 1.00 0.00 O ATOM 1826 ND2 ASN A 121 5.353 -23.273 -2.028 1.00 0.00 N ATOM 0 H ASN A 121 5.335 -20.564 2.053 1.00 0.00 H new ATOM 0 HA ASN A 121 3.596 -22.809 1.442 1.00 0.00 H new ATOM 0 HB2 ASN A 121 4.794 -21.107 -0.172 1.00 0.00 H new ATOM 0 HB3 ASN A 121 6.203 -22.121 0.068 1.00 0.00 H new ATOM 0 HD21 ASN A 121 5.054 -23.915 -2.762 1.00 0.00 H new ATOM 0 HD22 ASN A 121 6.238 -22.773 -2.117 1.00 0.00 H new ATOM 1833 N SER A 122 5.372 -23.769 3.395 1.00 0.00 N ATOM 1834 CA SER A 122 6.141 -24.799 4.084 1.00 0.00 C ATOM 1835 C SER A 122 5.247 -25.618 5.009 1.00 0.00 C ATOM 1836 O SER A 122 5.049 -25.266 6.171 1.00 0.00 O ATOM 1837 CB SER A 122 7.279 -24.165 4.885 1.00 0.00 C ATOM 1838 OG SER A 122 8.039 -25.152 5.561 1.00 0.00 O ATOM 0 H SER A 122 4.753 -23.230 4.000 1.00 0.00 H new ATOM 0 HA SER A 122 6.563 -25.466 3.332 1.00 0.00 H new ATOM 0 HB2 SER A 122 7.927 -23.598 4.216 1.00 0.00 H new ATOM 0 HB3 SER A 122 6.870 -23.459 5.607 1.00 0.00 H new ATOM 0 HG SER A 122 8.761 -24.721 6.064 1.00 0.00 H new ATOM 1844 N GLY A 123 4.707 -26.714 4.484 1.00 0.00 N ATOM 1845 CA GLY A 123 3.840 -27.567 5.276 1.00 0.00 C ATOM 1846 C GLY A 123 2.424 -27.613 4.737 1.00 0.00 C ATOM 1847 O GLY A 123 2.092 -26.963 3.746 1.00 0.00 O ATOM 0 H GLY A 123 4.855 -27.026 3.524 1.00 0.00 H new ATOM 0 HA2 GLY A 123 4.250 -28.577 5.298 1.00 0.00 H new ATOM 0 HA3 GLY A 123 3.823 -27.207 6.305 1.00 0.00 H new ATOM 1851 N PRO A 124 1.561 -28.400 5.397 1.00 0.00 N ATOM 1852 CA PRO A 124 0.159 -28.548 4.996 1.00 0.00 C ATOM 1853 C PRO A 124 -0.653 -27.282 5.245 1.00 0.00 C ATOM 1854 O PRO A 124 -1.847 -27.230 4.949 1.00 0.00 O ATOM 1855 CB PRO A 124 -0.345 -29.690 5.883 1.00 0.00 C ATOM 1856 CG PRO A 124 0.541 -29.659 7.080 1.00 0.00 C ATOM 1857 CD PRO A 124 1.887 -29.204 6.587 1.00 0.00 C ATOM 0 HA PRO A 124 0.059 -28.743 3.928 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -1.389 -29.545 6.160 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -0.282 -30.649 5.368 1.00 0.00 H new ATOM 0 HG2 PRO A 124 0.152 -28.977 7.836 1.00 0.00 H new ATOM 0 HG3 PRO A 124 0.607 -30.644 7.542 1.00 0.00 H new ATOM 0 HD2 PRO A 124 2.412 -28.614 7.339 1.00 0.00 H new ATOM 0 HD3 PRO A 124 2.530 -30.048 6.338 1.00 0.00 H new ATOM 1865 N SER A 125 0.002 -26.262 5.790 1.00 0.00 N ATOM 1866 CA SER A 125 -0.660 -24.996 6.082 1.00 0.00 C ATOM 1867 C SER A 125 -1.655 -24.638 4.983 1.00 0.00 C ATOM 1868 O SER A 125 -1.285 -24.068 3.956 1.00 0.00 O ATOM 1869 CB SER A 125 0.374 -23.879 6.234 1.00 0.00 C ATOM 1870 OG SER A 125 1.352 -24.217 7.201 1.00 0.00 O ATOM 0 H SER A 125 0.991 -26.288 6.038 1.00 0.00 H new ATOM 0 HA SER A 125 -1.205 -25.106 7.020 1.00 0.00 H new ATOM 0 HB2 SER A 125 0.856 -23.693 5.274 1.00 0.00 H new ATOM 0 HB3 SER A 125 -0.125 -22.955 6.525 1.00 0.00 H new ATOM 0 HG SER A 125 2.002 -23.487 7.278 1.00 0.00 H new ATOM 1876 N SER A 126 -2.921 -24.976 5.206 1.00 0.00 N ATOM 1877 CA SER A 126 -3.971 -24.694 4.234 1.00 0.00 C ATOM 1878 C SER A 126 -4.329 -23.211 4.236 1.00 0.00 C ATOM 1879 O SER A 126 -3.847 -22.445 5.069 1.00 0.00 O ATOM 1880 CB SER A 126 -5.215 -25.531 4.538 1.00 0.00 C ATOM 1881 OG SER A 126 -5.544 -25.474 5.915 1.00 0.00 O ATOM 0 H SER A 126 -3.245 -25.446 6.052 1.00 0.00 H new ATOM 0 HA SER A 126 -3.597 -24.958 3.245 1.00 0.00 H new ATOM 0 HB2 SER A 126 -6.055 -25.169 3.945 1.00 0.00 H new ATOM 0 HB3 SER A 126 -5.041 -26.566 4.245 1.00 0.00 H new ATOM 0 HG SER A 126 -6.343 -26.015 6.083 1.00 0.00 H new ATOM 1887 N GLY A 127 -5.179 -22.813 3.294 1.00 0.00 N ATOM 1888 CA GLY A 127 -5.588 -21.423 3.204 1.00 0.00 C ATOM 1889 C GLY A 127 -7.094 -21.266 3.129 1.00 0.00 C ATOM 1890 O GLY A 127 -7.747 -20.990 4.135 1.00 0.00 O ATOM 0 H GLY A 127 -5.591 -23.428 2.592 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -5.212 -20.880 4.071 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -5.134 -20.970 2.323 1.00 0.00 H new TER 1894 GLY A 127