USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 0 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 8 MET CE :methyl -112:sc= -4.25! (180deg=-12.4!) USER MOD Set 1.2: A 73 TYR OH : rot -80:sc= -0.0256! USER MOD Single : A 1 ALA N :NH3+ -155:sc= 0.0147 (180deg=-0.274) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS :FLIP no HD1:sc= -0.257 F(o=-1.7,f=-0.26) USER MOD Single : A 20 MET CE :methyl 134:sc= -0.409 (180deg=-2.52!) USER MOD Single : A 23 ASN : amide:sc= -0.0898 K(o=-0.09,f=-0.86) USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 25 TYR OH : rot -101:sc= 0.237 USER MOD Single : A 28 TYR OH : rot -75:sc= 0.521 USER MOD Single : A 34 SER OG : rot -159:sc= 0.0219 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HE2:sc= -0.832 K(o=-0.83,f=-1.7) USER MOD Single : A 50 ASN : amide:sc= 0.0735 K(o=0.074,f=-1.3) USER MOD Single : A 52 TYR OH : rot -40:sc= 0.737 USER MOD Single : A 56 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.276) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 151:sc= -0.508 USER MOD Single : A 70 THR OG1 : rot -67:sc= 0.638 USER MOD Single : A 72 SER OG : rot 140:sc=-0.00501 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -30:sc= 0.149 USER MOD Single : A 78 SER OG : rot 180:sc= 0.00292 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 86 SER OG : rot -0:sc= 0.379 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= 0.026 X(o=0.026,f=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 101 ASN :FLIP amide:sc= 0.691 F(o=0,f=0.69) USER MOD Single : A 107 SER OG : rot -85:sc= 1.14 USER MOD Single : A 108 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0179) USER MOD Single : A 111 TYR OH : rot 3:sc= 1.3 USER MOD Single : A 112 ASN : amide:sc= -0.0391 X(o=-0.039,f=-0.056) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS : no HD1:sc= -1.03 K(o=-1,f=-2.7) USER MOD Single : A 116 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.508) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 THR OG1 : rot -42:sc= 1.01 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc=-0.00299 (180deg=-0.00299) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot 180:sc=-0.00391 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.745 1.523 4.966 1.00 0.00 N ATOM 2 CA ALA A 1 -7.757 2.994 4.807 1.00 0.00 C ATOM 3 C ALA A 1 -6.387 3.456 4.286 1.00 0.00 C ATOM 4 O ALA A 1 -5.877 2.834 3.352 1.00 0.00 O ATOM 5 CB ALA A 1 -8.154 3.565 6.165 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.717 1.159 4.899 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.163 1.098 4.216 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.346 1.277 5.895 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.474 3.352 4.068 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.180 4.653 6.109 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.140 3.193 6.442 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.426 3.258 6.916 1.00 0.00 H new ATOM 6 N LEU A 2 -5.809 4.570 4.782 1.00 0.00 N ATOM 7 CA LEU A 2 -4.353 4.777 4.802 1.00 0.00 C ATOM 8 C LEU A 2 -3.854 4.431 6.233 1.00 0.00 C ATOM 9 O LEU A 2 -3.343 3.339 6.396 1.00 0.00 O ATOM 10 CB LEU A 2 -3.994 6.171 4.325 1.00 0.00 C ATOM 11 CG LEU A 2 -2.813 6.339 3.373 1.00 0.00 C ATOM 12 CD1 LEU A 2 -1.454 6.311 4.048 1.00 0.00 C ATOM 13 CD2 LEU A 2 -2.761 5.350 2.216 1.00 0.00 C ATOM 0 H LEU A 2 -6.340 5.346 5.178 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.841 4.119 4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.874 6.590 3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -3.797 6.781 5.206 1.00 0.00 H new ATOM 0 HG LEU A 2 -3.012 7.335 2.978 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -0.673 6.437 3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -1.393 7.120 4.776 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -1.319 5.356 4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -1.885 5.556 1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -2.699 4.335 2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -3.662 5.451 1.610 1.00 0.00 H new ATOM 14 N TRP A 3 -4.036 5.296 7.250 1.00 0.00 N ATOM 15 CA TRP A 3 -3.675 5.033 8.672 1.00 0.00 C ATOM 16 C TRP A 3 -4.116 3.683 9.293 1.00 0.00 C ATOM 17 O TRP A 3 -3.381 3.122 10.110 1.00 0.00 O ATOM 18 CB TRP A 3 -4.175 6.222 9.555 1.00 0.00 C ATOM 19 CG TRP A 3 -5.740 6.267 9.807 1.00 0.00 C ATOM 20 CD1 TRP A 3 -6.429 5.614 10.865 1.00 0.00 C ATOM 21 CD2 TRP A 3 -6.760 6.673 8.940 1.00 0.00 C ATOM 22 NE1 TRP A 3 -7.817 5.573 10.662 1.00 0.00 N ATOM 23 CE2 TRP A 3 -8.001 6.218 9.458 1.00 0.00 C ATOM 24 CE3 TRP A 3 -6.708 7.270 7.653 1.00 0.00 C ATOM 25 CZ2 TRP A 3 -9.182 6.340 8.665 1.00 0.00 C ATOM 26 CZ3 TRP A 3 -7.879 7.429 6.925 1.00 0.00 C ATOM 27 CH2 TRP A 3 -9.108 6.975 7.429 1.00 0.00 C ATOM 0 H TRP A 3 -4.446 6.219 7.111 1.00 0.00 H new ATOM 0 HA TRP A 3 -2.588 4.948 8.657 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -3.669 6.175 10.520 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -3.873 7.156 9.082 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -5.938 5.195 11.731 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -8.527 5.160 11.267 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -5.764 7.598 7.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -10.122 5.944 9.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -7.844 7.908 5.958 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -10.008 7.120 6.850 1.00 0.00 H new ATOM 28 N GLN A 4 -5.301 3.195 8.900 1.00 0.00 N ATOM 29 CA GLN A 4 -5.766 1.849 9.264 1.00 0.00 C ATOM 30 C GLN A 4 -5.064 0.784 8.385 1.00 0.00 C ATOM 31 O GLN A 4 -4.549 -0.156 8.989 1.00 0.00 O ATOM 32 CB GLN A 4 -7.306 1.786 9.264 1.00 0.00 C ATOM 33 CG GLN A 4 -7.869 1.103 10.526 1.00 0.00 C ATOM 34 CD GLN A 4 -9.398 1.079 10.606 1.00 0.00 C ATOM 35 OE1 GLN A 4 -10.128 1.388 9.662 1.00 0.00 O ATOM 36 NE2 GLN A 4 -9.922 0.686 11.753 1.00 0.00 N ATOM 0 H GLN A 4 -5.961 3.718 8.324 1.00 0.00 H new ATOM 0 HA GLN A 4 -5.477 1.614 10.288 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -7.708 2.797 9.192 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.644 1.245 8.380 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.500 0.078 10.565 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.480 1.616 11.406 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.314 0.431 12.531 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -10.935 0.637 11.861 1.00 0.00 H new ATOM 37 N PHE A 5 -4.962 0.971 7.027 1.00 0.00 N ATOM 38 CA PHE A 5 -4.078 0.148 6.117 1.00 0.00 C ATOM 39 C PHE A 5 -2.733 -0.338 6.691 1.00 0.00 C ATOM 40 O PHE A 5 -2.310 -1.477 6.512 1.00 0.00 O ATOM 41 CB PHE A 5 -3.921 0.900 4.767 1.00 0.00 C ATOM 42 CG PHE A 5 -2.589 0.965 3.997 1.00 0.00 C ATOM 43 CD1 PHE A 5 -2.097 -0.162 3.360 1.00 0.00 C ATOM 44 CD2 PHE A 5 -1.865 2.141 3.856 1.00 0.00 C ATOM 45 CE1 PHE A 5 -1.064 -0.088 2.428 1.00 0.00 C ATOM 46 CE2 PHE A 5 -0.749 2.223 3.017 1.00 0.00 C ATOM 47 CZ PHE A 5 -0.374 1.117 2.261 1.00 0.00 C ATOM 0 H PHE A 5 -5.486 1.692 6.531 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.596 -0.801 5.977 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -4.653 0.468 4.085 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.225 1.931 4.949 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.526 -1.125 3.592 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -2.172 3.016 4.409 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.798 -0.954 1.840 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.181 3.140 2.956 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.440 1.188 1.554 1.00 0.00 H new ATOM 48 N ARG A 6 -2.104 0.620 7.339 1.00 0.00 N ATOM 49 CA ARG A 6 -0.792 0.547 7.948 1.00 0.00 C ATOM 50 C ARG A 6 -0.477 -0.530 8.945 1.00 0.00 C ATOM 51 O ARG A 6 0.707 -0.814 9.102 1.00 0.00 O ATOM 52 CB ARG A 6 -0.471 1.841 8.761 1.00 0.00 C ATOM 53 CG ARG A 6 -0.802 3.104 8.011 1.00 0.00 C ATOM 54 CD ARG A 6 -0.254 3.266 6.585 1.00 0.00 C ATOM 55 NE ARG A 6 1.165 3.566 6.616 1.00 0.00 N ATOM 56 CZ ARG A 6 1.608 4.819 6.968 1.00 0.00 C ATOM 57 NH1 ARG A 6 0.825 5.893 7.102 1.00 0.00 N ATOM 58 NH2 ARG A 6 2.874 4.995 7.239 1.00 0.00 N ATOM 0 H ARG A 6 -2.528 1.539 7.463 1.00 0.00 H new ATOM 0 HA ARG A 6 -0.212 0.356 7.045 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -1.030 1.824 9.697 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.587 1.847 9.022 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.888 3.187 7.962 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -0.444 3.946 8.603 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.426 2.352 6.017 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.789 4.065 6.072 1.00 0.00 H new ATOM 0 HE ARG A 6 1.840 2.841 6.374 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.179 5.816 6.939 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.231 6.790 7.367 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.521 4.208 7.188 1.00 0.00 H new ATOM 0 HH22 ARG A 6 3.216 5.920 7.501 1.00 0.00 H new ATOM 59 N SER A 7 -1.477 -1.009 9.707 1.00 0.00 N ATOM 60 CA SER A 7 -1.117 -1.709 10.990 1.00 0.00 C ATOM 61 C SER A 7 -0.738 -3.212 10.967 1.00 0.00 C ATOM 62 O SER A 7 -0.434 -3.832 11.981 1.00 0.00 O ATOM 63 CB SER A 7 -2.135 -1.228 12.024 1.00 0.00 C ATOM 64 OG SER A 7 -1.921 0.153 12.333 1.00 0.00 O ATOM 0 H SER A 7 -2.473 -0.943 9.496 1.00 0.00 H new ATOM 0 HA SER A 7 -0.108 -1.419 11.282 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.146 -1.369 11.641 1.00 0.00 H new ATOM 0 HB3 SER A 7 -2.052 -1.827 12.931 1.00 0.00 H new ATOM 0 HG SER A 7 -2.582 0.446 12.995 1.00 0.00 H new ATOM 65 N MET A 8 -0.732 -3.665 9.742 1.00 0.00 N ATOM 66 CA MET A 8 -0.017 -4.768 9.122 1.00 0.00 C ATOM 67 C MET A 8 1.269 -4.267 8.391 1.00 0.00 C ATOM 68 O MET A 8 2.312 -4.876 8.555 1.00 0.00 O ATOM 69 CB MET A 8 -0.947 -5.393 8.078 1.00 0.00 C ATOM 70 CG MET A 8 -1.793 -4.445 7.251 1.00 0.00 C ATOM 71 SD MET A 8 -2.722 -5.466 6.120 1.00 0.00 S ATOM 72 CE MET A 8 -4.125 -5.770 7.183 1.00 0.00 C ATOM 0 H MET A 8 -1.316 -3.202 9.046 1.00 0.00 H new ATOM 0 HA MET A 8 0.276 -5.482 9.891 1.00 0.00 H new ATOM 0 HB2 MET A 8 -0.339 -5.987 7.395 1.00 0.00 H new ATOM 0 HB3 MET A 8 -1.616 -6.083 8.591 1.00 0.00 H new ATOM 0 HG2 MET A 8 -2.460 -3.862 7.887 1.00 0.00 H new ATOM 0 HG3 MET A 8 -1.167 -3.735 6.710 1.00 0.00 H new ATOM 0 HE1 MET A 8 -4.143 -6.821 7.470 1.00 0.00 H new ATOM 0 HE2 MET A 8 -4.045 -5.151 8.077 1.00 0.00 H new ATOM 0 HE3 MET A 8 -5.044 -5.524 6.652 1.00 0.00 H new ATOM 73 N ILE A 9 1.217 -3.186 7.584 1.00 0.00 N ATOM 74 CA ILE A 9 2.408 -2.531 6.957 1.00 0.00 C ATOM 75 C ILE A 9 3.606 -2.286 7.964 1.00 0.00 C ATOM 76 O ILE A 9 4.735 -2.171 7.505 1.00 0.00 O ATOM 77 CB ILE A 9 1.984 -1.244 6.137 1.00 0.00 C ATOM 78 CG1 ILE A 9 0.767 -1.460 5.201 1.00 0.00 C ATOM 79 CG2 ILE A 9 3.156 -0.654 5.323 1.00 0.00 C ATOM 80 CD1 ILE A 9 1.102 -2.028 3.842 1.00 0.00 C ATOM 0 H ILE A 9 0.338 -2.729 7.340 1.00 0.00 H new ATOM 0 HA ILE A 9 2.819 -3.240 6.238 1.00 0.00 H new ATOM 0 HB ILE A 9 1.682 -0.531 6.904 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.062 -2.129 5.694 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.258 -0.506 5.064 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.814 0.226 4.779 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.963 -0.372 5.999 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.519 -1.399 4.616 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.187 -2.143 3.260 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.780 -1.351 3.322 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.581 -3.000 3.962 1.00 0.00 H new ATOM 81 N LYS A 10 3.313 -2.112 9.260 1.00 0.00 N ATOM 82 CA LYS A 10 4.241 -2.171 10.408 1.00 0.00 C ATOM 83 C LYS A 10 4.202 -3.431 11.335 1.00 0.00 C ATOM 84 O LYS A 10 5.130 -3.540 12.136 1.00 0.00 O ATOM 85 CB LYS A 10 4.170 -0.823 11.123 1.00 0.00 C ATOM 86 CG LYS A 10 2.854 -0.378 11.730 1.00 0.00 C ATOM 87 CD LYS A 10 2.511 -1.195 12.964 1.00 0.00 C ATOM 88 CE LYS A 10 1.409 -0.627 13.848 1.00 0.00 C ATOM 89 NZ LYS A 10 1.831 0.533 14.657 1.00 0.00 N ATOM 0 H LYS A 10 2.358 -1.913 9.559 1.00 0.00 H new ATOM 0 HA LYS A 10 5.239 -2.338 10.004 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.912 -0.835 11.921 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.479 -0.057 10.412 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.912 0.678 11.995 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.058 -0.478 10.992 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.216 -2.195 12.645 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.413 -1.306 13.566 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.568 -0.333 13.220 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.050 -1.411 14.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.030 0.865 15.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.614 0.254 15.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.146 1.299 14.028 1.00 0.00 H new ATOM 90 N CYS A 11 3.154 -4.295 11.338 1.00 0.00 N ATOM 91 CA CYS A 11 3.107 -5.545 12.181 1.00 0.00 C ATOM 92 C CYS A 11 3.657 -6.771 11.417 1.00 0.00 C ATOM 93 O CYS A 11 4.497 -7.481 11.972 1.00 0.00 O ATOM 94 CB CYS A 11 1.695 -5.750 12.713 1.00 0.00 C ATOM 95 SG CYS A 11 1.505 -7.184 13.764 1.00 0.00 S ATOM 0 H CYS A 11 2.320 -4.158 10.767 1.00 0.00 H new ATOM 0 HA CYS A 11 3.767 -5.424 13.040 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.398 -4.863 13.272 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.011 -5.839 11.869 1.00 0.00 H new ATOM 96 N ALA A 12 3.257 -6.959 10.135 1.00 0.00 N ATOM 97 CA ALA A 12 4.042 -7.709 9.107 1.00 0.00 C ATOM 98 C ALA A 12 5.592 -7.517 9.107 1.00 0.00 C ATOM 99 O ALA A 12 6.332 -8.408 8.683 1.00 0.00 O ATOM 100 CB ALA A 12 3.441 -7.375 7.723 1.00 0.00 C ATOM 0 H ALA A 12 2.375 -6.594 9.777 1.00 0.00 H new ATOM 0 HA ALA A 12 3.944 -8.763 9.368 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.993 -7.908 6.949 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.395 -7.679 7.698 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.511 -6.302 7.545 1.00 0.00 H new ATOM 101 N ILE A 13 6.045 -6.375 9.620 1.00 0.00 N ATOM 102 CA ILE A 13 7.433 -5.994 9.841 1.00 0.00 C ATOM 103 C ILE A 13 7.542 -6.175 11.413 1.00 0.00 C ATOM 104 O ILE A 13 6.676 -5.666 12.134 1.00 0.00 O ATOM 105 CB ILE A 13 7.498 -4.475 9.442 1.00 0.00 C ATOM 106 CG1 ILE A 13 6.753 -4.030 8.161 1.00 0.00 C ATOM 107 CG2 ILE A 13 8.886 -3.846 9.373 1.00 0.00 C ATOM 108 CD1 ILE A 13 6.955 -4.838 6.906 1.00 0.00 C ATOM 0 H ILE A 13 5.402 -5.640 9.913 1.00 0.00 H new ATOM 0 HA ILE A 13 8.209 -6.538 9.302 1.00 0.00 H new ATOM 0 HB ILE A 13 6.955 -4.101 10.310 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.686 -4.019 8.383 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.044 -3.002 7.946 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.797 -2.798 9.088 1.00 0.00 H new ATOM 0 HG22 ILE A 13 9.367 -3.917 10.349 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.488 -4.373 8.633 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.369 -4.404 6.096 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.011 -4.831 6.635 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.631 -5.864 7.078 1.00 0.00 H new ATOM 109 N PRO A 14 8.518 -6.868 12.028 1.00 0.00 N ATOM 110 CA PRO A 14 8.839 -6.706 13.526 1.00 0.00 C ATOM 111 C PRO A 14 9.607 -5.342 13.659 1.00 0.00 C ATOM 112 O PRO A 14 10.835 -5.233 13.677 1.00 0.00 O ATOM 113 CB PRO A 14 9.688 -7.954 13.792 1.00 0.00 C ATOM 114 CG PRO A 14 10.080 -8.504 12.402 1.00 0.00 C ATOM 115 CD PRO A 14 9.656 -7.475 11.351 1.00 0.00 C ATOM 0 HA PRO A 14 8.012 -6.655 14.234 1.00 0.00 H new ATOM 0 HB2 PRO A 14 10.573 -7.707 14.378 1.00 0.00 H new ATOM 0 HB3 PRO A 14 9.126 -8.695 14.361 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.154 -8.681 12.351 1.00 0.00 H new ATOM 0 HG3 PRO A 14 9.591 -9.460 12.218 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.444 -6.754 11.134 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.378 -7.938 10.404 1.00 0.00 H new ATOM 116 N GLY A 15 8.735 -4.335 13.586 1.00 0.00 N ATOM 117 CA GLY A 15 8.976 -3.224 12.649 1.00 0.00 C ATOM 118 C GLY A 15 8.817 -1.790 13.120 1.00 0.00 C ATOM 119 O GLY A 15 8.832 -1.515 14.324 1.00 0.00 O ATOM 0 H GLY A 15 7.883 -4.260 14.141 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.993 -3.331 12.273 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.306 -3.363 11.801 1.00 0.00 H new ATOM 120 N SER A 16 8.750 -0.858 12.133 1.00 0.00 N ATOM 121 CA SER A 16 8.861 0.611 12.436 1.00 0.00 C ATOM 122 C SER A 16 7.912 1.478 11.570 1.00 0.00 C ATOM 123 O SER A 16 6.700 1.352 11.761 1.00 0.00 O ATOM 124 CB SER A 16 10.361 1.003 12.439 1.00 0.00 C ATOM 125 OG SER A 16 10.550 2.331 12.920 1.00 0.00 O ATOM 0 H SER A 16 8.624 -1.079 11.145 1.00 0.00 H new ATOM 0 HA SER A 16 8.489 0.828 13.437 1.00 0.00 H new ATOM 0 HB2 SER A 16 10.920 0.305 13.063 1.00 0.00 H new ATOM 0 HB3 SER A 16 10.763 0.919 11.429 1.00 0.00 H new ATOM 0 HG SER A 16 11.505 2.549 12.912 1.00 0.00 H new ATOM 126 N HIS A 17 8.413 2.354 10.657 1.00 0.00 N ATOM 127 CA HIS A 17 7.564 3.186 9.749 1.00 0.00 C ATOM 128 C HIS A 17 6.858 2.236 8.736 1.00 0.00 C ATOM 129 O HIS A 17 7.572 1.528 8.017 1.00 0.00 O ATOM 130 CB HIS A 17 8.250 4.383 8.974 1.00 0.00 C ATOM 131 CG HIS A 17 9.737 4.285 8.769 1.00 0.00 C ATOM 132 ND1 HIS A 17 10.212 3.295 7.937 1.00 0.00 N flip ATOM 133 CD2 HIS A 17 10.751 4.864 9.521 1.00 0.00 C flip ATOM 134 CE1 HIS A 17 11.564 3.156 8.079 1.00 0.00 C flip ATOM 135 NE2 HIS A 17 11.797 4.124 9.022 1.00 0.00 N flip ATOM 0 H HIS A 17 9.413 2.506 10.527 1.00 0.00 H new ATOM 0 HA HIS A 17 6.875 3.701 10.419 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.776 4.473 7.997 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.040 5.305 9.516 1.00 0.00 H new ATOM 0 HD2 HIS A 17 10.726 5.648 10.263 1.00 0.00 H new ATOM 0 HE1 HIS A 17 12.250 2.480 7.590 1.00 0.00 H new ATOM 0 HE2 HIS A 17 12.746 4.295 9.353 1.00 0.00 H new ATOM 136 N PRO A 18 5.507 2.157 8.632 1.00 0.00 N ATOM 137 CA PRO A 18 4.843 1.348 7.577 1.00 0.00 C ATOM 138 C PRO A 18 5.200 1.830 6.163 1.00 0.00 C ATOM 139 O PRO A 18 5.774 1.047 5.410 1.00 0.00 O ATOM 140 CB PRO A 18 3.353 1.357 7.913 1.00 0.00 C ATOM 141 CG PRO A 18 3.172 2.240 9.152 1.00 0.00 C ATOM 142 CD PRO A 18 4.546 2.786 9.549 1.00 0.00 C ATOM 0 HA PRO A 18 5.196 0.317 7.566 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.772 1.745 7.076 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.996 0.345 8.106 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.484 3.058 8.940 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.740 1.664 9.970 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.575 3.872 9.461 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.779 2.543 10.586 1.00 0.00 H new ATOM 143 N LEU A 19 4.967 3.111 5.842 1.00 0.00 N ATOM 144 CA LEU A 19 5.543 3.771 4.660 1.00 0.00 C ATOM 145 C LEU A 19 7.066 3.955 4.839 1.00 0.00 C ATOM 146 O LEU A 19 7.724 2.982 5.187 1.00 0.00 O ATOM 147 CB LEU A 19 4.716 5.070 4.440 1.00 0.00 C ATOM 148 CG LEU A 19 3.473 4.880 3.607 1.00 0.00 C ATOM 149 CD1 LEU A 19 2.609 6.166 3.705 1.00 0.00 C ATOM 150 CD2 LEU A 19 3.883 4.869 2.140 1.00 0.00 C ATOM 0 H LEU A 19 4.370 3.723 6.399 1.00 0.00 H new ATOM 0 HA LEU A 19 5.469 3.178 3.748 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.430 5.474 5.411 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.351 5.814 3.960 1.00 0.00 H new ATOM 0 HG LEU A 19 2.961 3.977 3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.706 6.044 3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.335 6.342 4.745 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.179 7.017 3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.000 4.733 1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.362 5.815 1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.581 4.051 1.964 1.00 0.00 H new ATOM 151 N MET A 20 7.457 5.216 4.755 1.00 0.00 N ATOM 152 CA MET A 20 8.752 5.926 4.644 1.00 0.00 C ATOM 153 C MET A 20 10.097 5.224 4.421 1.00 0.00 C ATOM 154 O MET A 20 11.004 5.745 3.767 1.00 0.00 O ATOM 155 CB MET A 20 8.620 6.818 5.896 1.00 0.00 C ATOM 156 CG MET A 20 7.505 7.890 5.841 1.00 0.00 C ATOM 157 SD MET A 20 6.941 8.189 7.530 1.00 0.00 S ATOM 158 CE MET A 20 5.901 6.717 7.741 1.00 0.00 C ATOM 0 H MET A 20 6.720 5.922 4.765 1.00 0.00 H new ATOM 0 HA MET A 20 8.861 6.399 3.668 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.440 6.177 6.759 1.00 0.00 H new ATOM 0 HB3 MET A 20 9.573 7.320 6.064 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.882 8.811 5.396 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.679 7.550 5.217 1.00 0.00 H new ATOM 0 HE1 MET A 20 6.112 6.258 8.707 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.850 7.005 7.698 1.00 0.00 H new ATOM 0 HE3 MET A 20 6.115 6.003 6.945 1.00 0.00 H new ATOM 159 N ASP A 21 10.078 3.970 4.826 1.00 0.00 N ATOM 160 CA ASP A 21 10.614 2.856 3.995 1.00 0.00 C ATOM 161 C ASP A 21 9.913 2.637 2.608 1.00 0.00 C ATOM 162 O ASP A 21 10.384 1.764 1.879 1.00 0.00 O ATOM 163 CB ASP A 21 10.698 1.559 4.835 1.00 0.00 C ATOM 164 CG ASP A 21 11.561 0.438 4.244 1.00 0.00 C ATOM 165 OD1 ASP A 21 12.790 0.473 4.221 1.00 0.00 O ATOM 166 OD2 ASP A 21 10.808 -0.591 3.738 1.00 0.00 O ATOM 0 H ASP A 21 9.700 3.673 5.726 1.00 0.00 H new ATOM 0 HA ASP A 21 11.619 3.163 3.705 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.088 1.811 5.821 1.00 0.00 H new ATOM 0 HB3 ASP A 21 9.688 1.176 4.980 1.00 0.00 H new ATOM 167 N PHE A 22 8.839 3.359 2.212 1.00 0.00 N ATOM 168 CA PHE A 22 8.146 3.113 0.933 1.00 0.00 C ATOM 169 C PHE A 22 7.721 4.441 0.249 1.00 0.00 C ATOM 170 O PHE A 22 7.800 4.488 -0.981 1.00 0.00 O ATOM 171 CB PHE A 22 6.988 2.132 1.123 1.00 0.00 C ATOM 172 CG PHE A 22 7.352 0.732 1.626 1.00 0.00 C ATOM 173 CD1 PHE A 22 7.466 0.514 3.005 1.00 0.00 C ATOM 174 CD2 PHE A 22 7.475 -0.363 0.759 1.00 0.00 C ATOM 175 CE1 PHE A 22 7.470 -0.771 3.518 1.00 0.00 C ATOM 176 CE2 PHE A 22 7.643 -1.645 1.274 1.00 0.00 C ATOM 177 CZ PHE A 22 7.622 -1.842 2.657 1.00 0.00 C ATOM 0 H PHE A 22 8.436 4.117 2.763 1.00 0.00 H new ATOM 0 HA PHE A 22 8.846 2.638 0.246 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.280 2.573 1.824 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.470 2.028 0.170 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.552 1.357 3.674 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.439 -0.211 -0.310 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.356 -0.936 4.579 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.789 -2.483 0.608 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.725 -2.840 3.057 1.00 0.00 H new ATOM 178 N ASN A 23 7.300 5.510 0.982 1.00 0.00 N ATOM 179 CA ASN A 23 7.116 6.891 0.382 1.00 0.00 C ATOM 180 C ASN A 23 8.271 7.360 -0.579 1.00 0.00 C ATOM 181 O ASN A 23 8.044 7.912 -1.656 1.00 0.00 O ATOM 182 CB ASN A 23 6.992 7.873 1.586 1.00 0.00 C ATOM 183 CG ASN A 23 6.854 9.376 1.315 1.00 0.00 C ATOM 184 OD1 ASN A 23 6.686 9.847 0.190 1.00 0.00 O ATOM 185 ND2 ASN A 23 6.951 10.178 2.360 1.00 0.00 N ATOM 0 H ASN A 23 7.081 5.458 1.977 1.00 0.00 H new ATOM 0 HA ASN A 23 6.231 6.871 -0.254 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.127 7.565 2.173 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.871 7.733 2.216 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.887 11.188 2.235 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.090 9.787 3.292 1.00 0.00 H new ATOM 186 N ASN A 24 9.470 7.096 -0.072 1.00 0.00 N ATOM 187 CA ASN A 24 10.750 7.359 -0.731 1.00 0.00 C ATOM 188 C ASN A 24 11.501 5.996 -0.807 1.00 0.00 C ATOM 189 O ASN A 24 12.330 5.657 0.046 1.00 0.00 O ATOM 190 CB ASN A 24 11.544 8.382 0.108 1.00 0.00 C ATOM 191 CG ASN A 24 11.148 9.851 -0.040 1.00 0.00 C ATOM 192 OD1 ASN A 24 10.087 10.213 -0.552 1.00 0.00 O ATOM 193 ND2 ASN A 24 11.999 10.743 0.433 1.00 0.00 N ATOM 0 H ASN A 24 9.585 6.674 0.850 1.00 0.00 H new ATOM 0 HA ASN A 24 10.621 7.773 -1.731 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.447 8.108 1.159 1.00 0.00 H new ATOM 0 HB3 ASN A 24 12.599 8.287 -0.150 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.780 11.738 0.376 1.00 0.00 H new ATOM 0 HD22 ASN A 24 12.876 10.438 0.856 1.00 0.00 H new ATOM 194 N TYR A 25 11.152 5.214 -1.835 1.00 0.00 N ATOM 195 CA TYR A 25 11.750 3.876 -2.082 1.00 0.00 C ATOM 196 C TYR A 25 11.351 3.535 -3.536 1.00 0.00 C ATOM 197 O TYR A 25 10.281 2.985 -3.816 1.00 0.00 O ATOM 198 CB TYR A 25 11.214 2.854 -1.078 1.00 0.00 C ATOM 199 CG TYR A 25 12.035 1.587 -0.931 1.00 0.00 C ATOM 200 CD1 TYR A 25 11.881 0.550 -1.855 1.00 0.00 C ATOM 201 CD2 TYR A 25 12.781 1.359 0.234 1.00 0.00 C ATOM 202 CE1 TYR A 25 12.353 -0.722 -1.553 1.00 0.00 C ATOM 203 CE2 TYR A 25 13.257 0.087 0.533 1.00 0.00 C ATOM 204 CZ TYR A 25 12.966 -0.971 -0.323 1.00 0.00 C ATOM 205 OH TYR A 25 13.145 -2.254 0.086 1.00 0.00 O ATOM 0 H TYR A 25 10.449 5.481 -2.524 1.00 0.00 H new ATOM 0 HA TYR A 25 12.833 3.864 -1.956 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.141 3.334 -0.102 1.00 0.00 H new ATOM 0 HB3 TYR A 25 10.202 2.578 -1.373 1.00 0.00 H new ATOM 0 HD1 TYR A 25 11.396 0.737 -2.802 1.00 0.00 H new ATOM 0 HD2 TYR A 25 12.988 2.179 0.906 1.00 0.00 H new ATOM 0 HE1 TYR A 25 12.245 -1.521 -2.272 1.00 0.00 H new ATOM 0 HE2 TYR A 25 13.848 -0.078 1.422 1.00 0.00 H new ATOM 0 HH TYR A 25 12.456 -2.487 0.743 1.00 0.00 H new ATOM 206 N GLY A 26 12.231 3.965 -4.437 1.00 0.00 N ATOM 207 CA GLY A 26 11.960 4.070 -5.874 1.00 0.00 C ATOM 208 C GLY A 26 11.067 5.303 -6.054 1.00 0.00 C ATOM 209 O GLY A 26 11.509 6.445 -5.904 1.00 0.00 O ATOM 0 H GLY A 26 13.175 4.258 -4.185 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.887 4.175 -6.438 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.463 3.173 -6.243 1.00 0.00 H new ATOM 210 N CYS A 27 9.787 4.991 -6.257 1.00 0.00 N ATOM 211 CA CYS A 27 8.670 5.939 -5.990 1.00 0.00 C ATOM 212 C CYS A 27 7.311 5.214 -5.840 1.00 0.00 C ATOM 213 O CYS A 27 7.242 3.988 -5.962 1.00 0.00 O ATOM 214 CB CYS A 27 8.621 7.119 -6.969 1.00 0.00 C ATOM 215 SG CYS A 27 8.839 8.624 -6.015 1.00 0.00 S ATOM 0 H CYS A 27 9.481 4.084 -6.609 1.00 0.00 H new ATOM 0 HA CYS A 27 8.885 6.390 -5.021 1.00 0.00 H new ATOM 0 HB2 CYS A 27 9.404 7.025 -7.721 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.669 7.137 -7.500 1.00 0.00 H new ATOM 216 N TYR A 28 6.234 5.989 -5.554 1.00 0.00 N ATOM 217 CA TYR A 28 4.832 5.489 -5.450 1.00 0.00 C ATOM 218 C TYR A 28 4.475 4.548 -4.271 1.00 0.00 C ATOM 219 O TYR A 28 3.289 4.508 -3.920 1.00 0.00 O ATOM 220 CB TYR A 28 4.072 4.989 -6.748 1.00 0.00 C ATOM 221 CG TYR A 28 4.865 4.670 -7.996 1.00 0.00 C ATOM 222 CD1 TYR A 28 5.400 5.744 -8.698 1.00 0.00 C ATOM 223 CD2 TYR A 28 5.392 3.390 -8.216 1.00 0.00 C ATOM 224 CE1 TYR A 28 6.590 5.593 -9.397 1.00 0.00 C ATOM 225 CE2 TYR A 28 6.575 3.236 -8.939 1.00 0.00 C ATOM 226 CZ TYR A 28 7.218 4.362 -9.456 1.00 0.00 C ATOM 227 OH TYR A 28 8.538 4.353 -9.786 1.00 0.00 O ATOM 0 H TYR A 28 6.312 6.992 -5.386 1.00 0.00 H new ATOM 0 HA TYR A 28 4.443 6.484 -5.233 1.00 0.00 H new ATOM 0 HB2 TYR A 28 3.515 4.092 -6.476 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.339 5.751 -7.012 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.890 6.696 -8.700 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.882 2.522 -7.825 1.00 0.00 H new ATOM 0 HE1 TYR A 28 7.029 6.443 -9.898 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.991 2.252 -9.098 1.00 0.00 H new ATOM 0 HH TYR A 28 8.636 4.526 -10.746 1.00 0.00 H new ATOM 228 N CYS A 29 5.459 3.814 -3.712 1.00 0.00 N ATOM 229 CA CYS A 29 5.211 2.644 -2.844 1.00 0.00 C ATOM 230 C CYS A 29 4.498 3.007 -1.555 1.00 0.00 C ATOM 231 O CYS A 29 5.071 3.621 -0.659 1.00 0.00 O ATOM 232 CB CYS A 29 6.517 1.862 -2.644 1.00 0.00 C ATOM 233 SG CYS A 29 7.209 1.395 -4.237 1.00 0.00 S ATOM 0 H CYS A 29 6.449 4.016 -3.850 1.00 0.00 H new ATOM 0 HA CYS A 29 4.510 1.977 -3.346 1.00 0.00 H new ATOM 0 HB2 CYS A 29 7.233 2.471 -2.092 1.00 0.00 H new ATOM 0 HB3 CYS A 29 6.328 0.971 -2.046 1.00 0.00 H new ATOM 234 N GLY A 30 3.186 2.740 -1.540 1.00 0.00 N ATOM 235 CA GLY A 30 2.304 3.309 -0.526 1.00 0.00 C ATOM 236 C GLY A 30 2.025 4.792 -0.801 1.00 0.00 C ATOM 237 O GLY A 30 0.876 5.117 -1.118 1.00 0.00 O ATOM 0 H GLY A 30 2.718 2.137 -2.216 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.364 2.757 -0.507 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.759 3.198 0.458 1.00 0.00 H new ATOM 238 N LEU A 31 3.045 5.693 -0.697 1.00 0.00 N ATOM 239 CA LEU A 31 2.822 7.119 -0.826 1.00 0.00 C ATOM 240 C LEU A 31 3.345 7.540 -2.167 1.00 0.00 C ATOM 241 O LEU A 31 2.636 7.480 -3.167 1.00 0.00 O ATOM 242 CB LEU A 31 3.092 7.824 0.510 1.00 0.00 C ATOM 243 CG LEU A 31 3.299 9.334 0.536 1.00 0.00 C ATOM 244 CD1 LEU A 31 2.289 10.207 -0.198 1.00 0.00 C ATOM 245 CD2 LEU A 31 3.435 9.822 1.994 1.00 0.00 C ATOM 0 H LEU A 31 4.016 5.434 -0.525 1.00 0.00 H new ATOM 0 HA LEU A 31 1.800 7.486 -0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.257 7.598 1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.979 7.366 0.947 1.00 0.00 H new ATOM 0 HG LEU A 31 4.216 9.465 -0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.568 11.255 -0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.278 9.941 -1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.297 10.050 0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.583 10.902 2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.529 9.575 2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.290 9.335 2.463 1.00 0.00 H new ATOM 246 N GLY A 32 4.600 7.935 -2.115 1.00 0.00 N ATOM 247 CA GLY A 32 5.053 9.070 -2.948 1.00 0.00 C ATOM 248 C GLY A 32 4.599 9.292 -4.421 1.00 0.00 C ATOM 249 O GLY A 32 3.399 9.511 -4.626 1.00 0.00 O ATOM 0 H GLY A 32 5.319 7.513 -1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.784 9.976 -2.404 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.142 9.021 -2.967 1.00 0.00 H new ATOM 250 N GLY A 33 5.495 9.306 -5.442 1.00 0.00 N ATOM 251 CA GLY A 33 5.045 9.484 -6.841 1.00 0.00 C ATOM 252 C GLY A 33 6.078 9.779 -7.961 1.00 0.00 C ATOM 253 O GLY A 33 7.029 10.540 -7.774 1.00 0.00 O ATOM 0 H GLY A 33 6.503 9.199 -5.326 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.509 8.579 -7.126 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.321 10.298 -6.847 1.00 0.00 H new ATOM 254 N SER A 34 5.776 9.203 -9.141 1.00 0.00 N ATOM 255 CA SER A 34 6.453 9.424 -10.445 1.00 0.00 C ATOM 256 C SER A 34 5.581 8.782 -11.564 1.00 0.00 C ATOM 257 O SER A 34 4.761 9.495 -12.153 1.00 0.00 O ATOM 258 CB SER A 34 7.958 9.137 -10.514 1.00 0.00 C ATOM 259 OG SER A 34 8.468 9.422 -11.816 1.00 0.00 O ATOM 0 H SER A 34 5.011 8.533 -9.220 1.00 0.00 H new ATOM 0 HA SER A 34 6.502 10.500 -10.609 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.482 9.740 -9.773 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.146 8.092 -10.265 1.00 0.00 H new ATOM 0 HG SER A 34 9.310 8.940 -11.950 1.00 0.00 H new ATOM 260 N GLY A 35 5.746 7.485 -11.857 1.00 0.00 N ATOM 261 CA GLY A 35 4.981 6.815 -12.920 1.00 0.00 C ATOM 262 C GLY A 35 5.137 5.287 -12.918 1.00 0.00 C ATOM 263 O GLY A 35 4.172 4.578 -12.619 1.00 0.00 O ATOM 0 H GLY A 35 6.405 6.876 -11.371 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.926 7.065 -12.810 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.301 7.204 -13.887 1.00 0.00 H new ATOM 264 N THR A 36 6.339 4.806 -13.286 1.00 0.00 N ATOM 265 CA THR A 36 6.645 3.355 -13.415 1.00 0.00 C ATOM 266 C THR A 36 7.925 2.977 -12.580 1.00 0.00 C ATOM 267 O THR A 36 8.800 3.824 -12.382 1.00 0.00 O ATOM 268 CB THR A 36 6.685 2.838 -14.894 1.00 0.00 C ATOM 269 OG1 THR A 36 6.578 3.872 -15.877 1.00 0.00 O ATOM 270 CG2 THR A 36 5.557 1.824 -15.146 1.00 0.00 C ATOM 0 H THR A 36 7.133 5.408 -13.505 1.00 0.00 H new ATOM 0 HA THR A 36 5.803 2.816 -12.980 1.00 0.00 H new ATOM 0 HB THR A 36 7.666 2.376 -15.003 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.612 3.476 -16.773 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.603 1.478 -16.179 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.674 0.975 -14.473 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.593 2.300 -14.965 1.00 0.00 H new ATOM 271 N PRO A 37 8.040 1.728 -12.064 1.00 0.00 N ATOM 272 CA PRO A 37 8.912 1.349 -10.920 1.00 0.00 C ATOM 273 C PRO A 37 10.393 1.131 -11.202 1.00 0.00 C ATOM 274 O PRO A 37 10.931 1.484 -12.257 1.00 0.00 O ATOM 275 CB PRO A 37 8.162 0.036 -10.496 1.00 0.00 C ATOM 276 CG PRO A 37 7.952 -0.645 -11.847 1.00 0.00 C ATOM 277 CD PRO A 37 7.407 0.533 -12.652 1.00 0.00 C ATOM 0 HA PRO A 37 9.012 2.138 -10.175 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.757 -0.575 -9.817 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.219 0.247 -9.992 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.878 -1.042 -12.263 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.247 -1.474 -11.791 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.655 0.436 -13.709 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.321 0.588 -12.583 1.00 0.00 H new ATOM 278 N VAL A 38 11.010 0.513 -10.189 1.00 0.00 N ATOM 279 CA VAL A 38 12.439 0.209 -10.155 1.00 0.00 C ATOM 280 C VAL A 38 12.663 -1.303 -9.785 1.00 0.00 C ATOM 281 O VAL A 38 13.249 -2.069 -10.553 1.00 0.00 O ATOM 282 CB VAL A 38 13.214 1.260 -9.277 1.00 0.00 C ATOM 283 CG1 VAL A 38 12.565 2.676 -9.140 1.00 0.00 C ATOM 284 CG2 VAL A 38 13.472 0.905 -7.789 1.00 0.00 C ATOM 0 H VAL A 38 10.515 0.204 -9.352 1.00 0.00 H new ATOM 0 HA VAL A 38 12.880 0.319 -11.146 1.00 0.00 H new ATOM 0 HB VAL A 38 14.124 1.249 -9.877 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.195 3.306 -8.512 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.468 3.129 -10.127 1.00 0.00 H new ATOM 0 HG13 VAL A 38 11.579 2.582 -8.686 1.00 0.00 H new ATOM 0 HG21 VAL A 38 14.014 1.720 -7.309 1.00 0.00 H new ATOM 0 HG22 VAL A 38 12.520 0.754 -7.281 1.00 0.00 H new ATOM 0 HG23 VAL A 38 14.064 -0.009 -7.730 1.00 0.00 H new ATOM 285 N ASP A 39 12.158 -1.655 -8.599 1.00 0.00 N ATOM 286 CA ASP A 39 12.233 -3.007 -7.996 1.00 0.00 C ATOM 287 C ASP A 39 11.081 -3.925 -8.402 1.00 0.00 C ATOM 288 O ASP A 39 10.044 -3.448 -8.873 1.00 0.00 O ATOM 289 CB ASP A 39 12.414 -2.847 -6.460 1.00 0.00 C ATOM 290 CG ASP A 39 13.240 -3.978 -5.836 1.00 0.00 C ATOM 291 OD1 ASP A 39 14.526 -3.990 -6.315 1.00 0.00 O ATOM 292 OD2 ASP A 39 12.799 -4.786 -5.021 1.00 0.00 O ATOM 0 H ASP A 39 11.666 -0.989 -8.004 1.00 0.00 H new ATOM 0 HA ASP A 39 13.102 -3.530 -8.394 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.899 -1.893 -6.254 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.433 -2.815 -5.985 1.00 0.00 H new ATOM 293 N GLU A 40 11.244 -5.265 -8.169 1.00 0.00 N ATOM 294 CA GLU A 40 10.062 -6.149 -8.027 1.00 0.00 C ATOM 295 C GLU A 40 9.045 -5.582 -6.982 1.00 0.00 C ATOM 296 O GLU A 40 7.835 -5.560 -7.202 1.00 0.00 O ATOM 297 CB GLU A 40 10.285 -7.597 -7.511 1.00 0.00 C ATOM 298 CG GLU A 40 9.205 -8.505 -8.112 1.00 0.00 C ATOM 299 CD GLU A 40 9.504 -9.051 -9.492 1.00 0.00 C ATOM 300 OE1 GLU A 40 10.319 -9.950 -9.702 1.00 0.00 O ATOM 301 OE2 GLU A 40 8.763 -8.436 -10.468 1.00 0.00 O ATOM 0 H GLU A 40 12.146 -5.733 -8.080 1.00 0.00 H new ATOM 0 HA GLU A 40 9.729 -6.179 -9.064 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.276 -7.951 -7.794 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.237 -7.622 -6.422 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.044 -9.344 -7.436 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.270 -7.947 -8.156 1.00 0.00 H new ATOM 302 N LEU A 41 9.607 -5.153 -5.850 1.00 0.00 N ATOM 303 CA LEU A 41 8.876 -4.497 -4.794 1.00 0.00 C ATOM 304 C LEU A 41 8.113 -3.234 -5.198 1.00 0.00 C ATOM 305 O LEU A 41 6.930 -3.101 -4.874 1.00 0.00 O ATOM 306 CB LEU A 41 9.912 -4.420 -3.671 1.00 0.00 C ATOM 307 CG LEU A 41 9.450 -4.254 -2.234 1.00 0.00 C ATOM 308 CD1 LEU A 41 9.959 -3.009 -1.552 1.00 0.00 C ATOM 309 CD2 LEU A 41 8.001 -4.632 -2.068 1.00 0.00 C ATOM 0 H LEU A 41 10.601 -5.260 -5.650 1.00 0.00 H new ATOM 0 HA LEU A 41 7.993 -5.039 -4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.512 -5.329 -3.718 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.577 -3.587 -3.898 1.00 0.00 H new ATOM 0 HG LEU A 41 9.961 -4.997 -1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.580 -2.973 -0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.049 -3.024 -1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.617 -2.130 -2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.708 -4.500 -1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.384 -3.996 -2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.862 -5.674 -2.355 1.00 0.00 H new ATOM 310 N ASP A 42 8.765 -2.367 -5.991 1.00 0.00 N ATOM 311 CA ASP A 42 8.100 -1.259 -6.688 1.00 0.00 C ATOM 312 C ASP A 42 7.056 -1.635 -7.778 1.00 0.00 C ATOM 313 O ASP A 42 6.244 -0.765 -8.072 1.00 0.00 O ATOM 314 CB ASP A 42 9.129 -0.265 -7.248 1.00 0.00 C ATOM 315 CG ASP A 42 9.850 0.581 -6.211 1.00 0.00 C ATOM 316 OD1 ASP A 42 10.737 0.157 -5.471 1.00 0.00 O ATOM 317 OD2 ASP A 42 9.383 1.868 -6.203 1.00 0.00 O ATOM 0 H ASP A 42 9.769 -2.417 -6.165 1.00 0.00 H new ATOM 0 HA ASP A 42 7.501 -0.795 -5.904 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.872 -0.821 -7.819 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.623 0.401 -7.947 1.00 0.00 H new ATOM 318 N ARG A 43 7.042 -2.848 -8.350 1.00 0.00 N ATOM 319 CA ARG A 43 6.004 -3.279 -9.317 1.00 0.00 C ATOM 320 C ARG A 43 4.571 -3.431 -8.676 1.00 0.00 C ATOM 321 O ARG A 43 3.610 -2.965 -9.291 1.00 0.00 O ATOM 322 CB ARG A 43 6.272 -4.725 -9.813 1.00 0.00 C ATOM 323 CG ARG A 43 7.563 -5.042 -10.515 1.00 0.00 C ATOM 324 CD ARG A 43 7.963 -4.221 -11.714 1.00 0.00 C ATOM 325 NE ARG A 43 6.816 -3.854 -12.562 1.00 0.00 N ATOM 326 CZ ARG A 43 6.910 -3.403 -13.826 1.00 0.00 C ATOM 327 NH1 ARG A 43 8.061 -3.230 -14.472 1.00 0.00 N ATOM 328 NH2 ARG A 43 5.794 -3.108 -14.461 1.00 0.00 N ATOM 0 H ARG A 43 7.746 -3.562 -8.160 1.00 0.00 H new ATOM 0 HA ARG A 43 6.041 -2.510 -10.088 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.200 -5.385 -8.948 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.459 -4.994 -10.488 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.365 -4.964 -9.781 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.519 -6.085 -10.830 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.465 -3.314 -11.377 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.684 -4.782 -12.309 1.00 0.00 H new ATOM 0 HE ARG A 43 5.883 -3.949 -12.162 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.944 -3.444 -14.008 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.060 -2.884 -15.431 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.895 -3.224 -13.993 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.829 -2.764 -15.420 1.00 0.00 H new ATOM 329 N CYS A 44 4.436 -4.116 -7.499 1.00 0.00 N ATOM 330 CA CYS A 44 3.138 -4.149 -6.755 1.00 0.00 C ATOM 331 C CYS A 44 2.659 -2.754 -6.210 1.00 0.00 C ATOM 332 O CYS A 44 1.482 -2.569 -5.931 1.00 0.00 O ATOM 333 CB CYS A 44 3.328 -5.149 -5.613 1.00 0.00 C ATOM 334 SG CYS A 44 1.800 -5.490 -4.742 1.00 0.00 S ATOM 0 H CYS A 44 5.190 -4.640 -7.055 1.00 0.00 H new ATOM 0 HA CYS A 44 2.345 -4.444 -7.443 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.731 -6.080 -6.012 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.064 -4.758 -4.910 1.00 0.00 H new ATOM 335 N CYS A 45 3.624 -1.849 -6.093 1.00 0.00 N ATOM 336 CA CYS A 45 3.518 -0.412 -5.876 1.00 0.00 C ATOM 337 C CYS A 45 3.299 0.443 -7.153 1.00 0.00 C ATOM 338 O CYS A 45 2.807 1.559 -6.970 1.00 0.00 O ATOM 339 CB CYS A 45 4.803 -0.106 -5.097 1.00 0.00 C ATOM 340 SG CYS A 45 5.726 1.332 -5.567 1.00 0.00 S ATOM 0 H CYS A 45 4.601 -2.135 -6.154 1.00 0.00 H new ATOM 0 HA CYS A 45 2.615 -0.135 -5.332 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.542 -0.008 -4.043 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.461 -0.970 -5.183 1.00 0.00 H new ATOM 341 N GLU A 46 3.608 0.011 -8.419 1.00 0.00 N ATOM 342 CA GLU A 46 3.031 0.664 -9.644 1.00 0.00 C ATOM 343 C GLU A 46 1.510 0.352 -9.770 1.00 0.00 C ATOM 344 O GLU A 46 0.746 1.242 -10.145 1.00 0.00 O ATOM 345 CB GLU A 46 3.859 0.281 -10.880 1.00 0.00 C ATOM 346 CG GLU A 46 3.365 0.896 -12.202 1.00 0.00 C ATOM 347 CD GLU A 46 2.563 -0.068 -13.067 1.00 0.00 C ATOM 348 OE1 GLU A 46 3.368 -0.825 -13.880 1.00 0.00 O ATOM 349 OE2 GLU A 46 1.337 -0.155 -13.031 1.00 0.00 O ATOM 0 H GLU A 46 4.238 -0.767 -8.615 1.00 0.00 H new ATOM 0 HA GLU A 46 3.097 1.749 -9.557 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.892 0.587 -10.717 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.859 -0.805 -10.978 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.749 1.767 -11.979 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.225 1.250 -12.771 1.00 0.00 H new ATOM 350 N THR A 47 1.080 -0.855 -9.333 1.00 0.00 N ATOM 351 CA THR A 47 -0.287 -1.079 -8.772 1.00 0.00 C ATOM 352 C THR A 47 -0.282 -0.350 -7.375 1.00 0.00 C ATOM 353 O THR A 47 0.247 0.756 -7.347 1.00 0.00 O ATOM 354 CB THR A 47 -0.416 -2.625 -8.815 1.00 0.00 C ATOM 355 OG1 THR A 47 -0.360 -3.068 -10.177 1.00 0.00 O ATOM 356 CG2 THR A 47 -1.701 -3.220 -8.274 1.00 0.00 C ATOM 0 H THR A 47 1.657 -1.696 -9.356 1.00 0.00 H new ATOM 0 HA THR A 47 -1.163 -0.676 -9.280 1.00 0.00 H new ATOM 0 HB THR A 47 0.403 -2.957 -8.177 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.440 -4.044 -10.207 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.664 -4.306 -8.362 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.817 -2.944 -7.226 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.547 -2.838 -8.845 1.00 0.00 H new ATOM 357 N HIS A 48 -0.739 -0.865 -6.227 1.00 0.00 N ATOM 358 CA HIS A 48 -1.111 -0.038 -5.003 1.00 0.00 C ATOM 359 C HIS A 48 -0.995 1.559 -5.059 1.00 0.00 C ATOM 360 O HIS A 48 -0.296 2.242 -4.312 1.00 0.00 O ATOM 361 CB HIS A 48 -0.394 -0.612 -3.740 1.00 0.00 C ATOM 362 CG HIS A 48 -1.350 -0.539 -2.516 1.00 0.00 C ATOM 363 ND1 HIS A 48 -1.254 0.432 -1.511 1.00 0.00 N ATOM 364 CD2 HIS A 48 -2.509 -1.321 -2.311 1.00 0.00 C ATOM 365 CE1 HIS A 48 -2.382 0.130 -0.811 1.00 0.00 C ATOM 366 NE2 HIS A 48 -3.246 -0.788 -1.288 1.00 0.00 N ATOM 0 H HIS A 48 -0.873 -1.867 -6.089 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.194 -0.158 -4.962 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -0.094 -1.645 -3.918 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.515 -0.046 -3.538 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -0.549 1.151 -1.351 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.773 -2.204 -2.875 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -2.585 0.626 0.127 1.00 0.00 H new ATOM 367 N ASP A 49 -1.786 2.002 -6.030 1.00 0.00 N ATOM 368 CA ASP A 49 -1.838 3.296 -6.712 1.00 0.00 C ATOM 369 C ASP A 49 -2.860 2.865 -7.888 1.00 0.00 C ATOM 370 O ASP A 49 -3.950 3.429 -7.916 1.00 0.00 O ATOM 371 CB ASP A 49 -0.593 3.791 -7.455 1.00 0.00 C ATOM 372 CG ASP A 49 0.480 4.542 -6.719 1.00 0.00 C ATOM 373 OD1 ASP A 49 1.018 4.152 -5.686 1.00 0.00 O ATOM 374 OD2 ASP A 49 0.811 5.707 -7.364 1.00 0.00 O ATOM 0 H ASP A 49 -2.501 1.381 -6.409 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.045 4.091 -5.995 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.122 2.920 -7.912 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.936 4.431 -8.268 1.00 0.00 H new ATOM 375 N ASN A 50 -2.492 1.897 -8.799 1.00 0.00 N ATOM 376 CA ASN A 50 -3.418 1.345 -9.807 1.00 0.00 C ATOM 377 C ASN A 50 -4.471 0.324 -9.296 1.00 0.00 C ATOM 378 O ASN A 50 -5.535 0.229 -9.914 1.00 0.00 O ATOM 379 CB ASN A 50 -2.792 0.975 -11.167 1.00 0.00 C ATOM 380 CG ASN A 50 -2.193 2.166 -11.937 1.00 0.00 C ATOM 381 OD1 ASN A 50 -2.821 3.211 -12.105 1.00 0.00 O ATOM 382 ND2 ASN A 50 -0.980 2.040 -12.438 1.00 0.00 N ATOM 0 H ASN A 50 -1.555 1.496 -8.839 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.018 2.228 -10.027 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.010 0.234 -11.003 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.554 0.503 -11.787 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.563 2.808 -12.964 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.458 1.174 -12.299 1.00 0.00 H new ATOM 383 N CYS A 51 -4.215 -0.449 -8.230 1.00 0.00 N ATOM 384 CA CYS A 51 -5.320 -0.987 -7.393 1.00 0.00 C ATOM 385 C CYS A 51 -5.561 -0.147 -6.085 1.00 0.00 C ATOM 386 O CYS A 51 -6.135 -0.724 -5.156 1.00 0.00 O ATOM 387 CB CYS A 51 -5.049 -2.465 -7.041 1.00 0.00 C ATOM 388 SG CYS A 51 -3.860 -2.579 -5.688 1.00 0.00 S ATOM 0 H CYS A 51 -3.279 -0.716 -7.925 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.232 -0.913 -7.985 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.980 -2.955 -6.758 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.666 -2.990 -7.916 1.00 0.00 H new ATOM 389 N TYR A 52 -5.102 1.128 -5.943 1.00 0.00 N ATOM 390 CA TYR A 52 -5.436 1.943 -4.720 1.00 0.00 C ATOM 391 C TYR A 52 -6.584 2.916 -4.973 1.00 0.00 C ATOM 392 O TYR A 52 -7.526 2.995 -4.178 1.00 0.00 O ATOM 393 CB TYR A 52 -4.238 2.617 -4.045 1.00 0.00 C ATOM 394 CG TYR A 52 -4.278 2.886 -2.545 1.00 0.00 C ATOM 395 CD1 TYR A 52 -5.367 2.494 -1.758 1.00 0.00 C ATOM 396 CD2 TYR A 52 -3.112 3.360 -1.902 1.00 0.00 C ATOM 397 CE1 TYR A 52 -5.263 2.495 -0.383 1.00 0.00 C ATOM 398 CE2 TYR A 52 -3.022 3.353 -0.508 1.00 0.00 C ATOM 399 CZ TYR A 52 -4.095 2.883 0.246 1.00 0.00 C ATOM 400 OH TYR A 52 -3.932 2.625 1.567 1.00 0.00 O ATOM 0 H TYR A 52 -4.519 1.608 -6.629 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.779 1.211 -3.989 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.361 2.001 -4.244 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.076 3.572 -4.544 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.290 2.190 -2.228 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.286 3.730 -2.492 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.109 2.187 0.213 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.128 3.709 -0.019 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.777 2.783 2.038 1.00 0.00 H new ATOM 401 N ARG A 53 -6.480 3.655 -6.085 1.00 0.00 N ATOM 402 CA ARG A 53 -7.589 4.379 -6.690 1.00 0.00 C ATOM 403 C ARG A 53 -8.980 3.689 -6.665 1.00 0.00 C ATOM 404 O ARG A 53 -9.975 4.315 -6.315 1.00 0.00 O ATOM 405 CB ARG A 53 -7.007 4.841 -8.051 1.00 0.00 C ATOM 406 CG ARG A 53 -7.610 4.135 -9.224 1.00 0.00 C ATOM 407 CD ARG A 53 -6.960 2.845 -9.599 1.00 0.00 C ATOM 408 NE ARG A 53 -6.189 3.087 -10.830 1.00 0.00 N ATOM 409 CZ ARG A 53 -6.580 2.721 -12.069 1.00 0.00 C ATOM 410 NH1 ARG A 53 -7.719 2.087 -12.338 1.00 0.00 N ATOM 411 NH2 ARG A 53 -5.790 3.013 -13.081 1.00 0.00 N ATOM 0 H ARG A 53 -5.603 3.764 -6.594 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.910 5.235 -6.097 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.166 5.914 -8.161 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.929 4.677 -8.052 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.661 3.944 -9.010 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.576 4.803 -10.085 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.307 2.496 -8.799 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.709 2.070 -9.760 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.293 3.567 -10.740 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.360 1.848 -11.582 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.951 1.841 -13.300 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.910 3.502 -12.917 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.058 2.750 -14.029 1.00 0.00 H new ATOM 412 N ASP A 54 -8.930 2.425 -7.098 1.00 0.00 N ATOM 413 CA ASP A 54 -10.036 1.609 -7.638 1.00 0.00 C ATOM 414 C ASP A 54 -11.423 1.526 -6.954 1.00 0.00 C ATOM 415 O ASP A 54 -12.445 1.251 -7.578 1.00 0.00 O ATOM 416 CB ASP A 54 -9.412 0.221 -7.867 1.00 0.00 C ATOM 417 CG ASP A 54 -8.869 -0.582 -6.693 1.00 0.00 C ATOM 418 OD1 ASP A 54 -8.727 -0.129 -5.556 1.00 0.00 O ATOM 419 OD2 ASP A 54 -8.571 -1.872 -7.048 1.00 0.00 O ATOM 0 H ASP A 54 -8.054 1.902 -7.081 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.383 2.148 -8.520 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.166 -0.395 -8.357 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.594 0.348 -8.576 1.00 0.00 H new ATOM 420 N ALA A 55 -11.343 1.802 -5.658 1.00 0.00 N ATOM 421 CA ALA A 55 -12.420 2.292 -4.778 1.00 0.00 C ATOM 422 C ALA A 55 -13.427 3.307 -5.384 1.00 0.00 C ATOM 423 O ALA A 55 -14.620 3.272 -5.075 1.00 0.00 O ATOM 424 CB ALA A 55 -11.669 3.055 -3.647 1.00 0.00 C ATOM 0 H ALA A 55 -10.466 1.684 -5.150 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.022 1.427 -4.500 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.392 3.459 -2.938 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.997 2.370 -3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.091 3.871 -4.080 1.00 0.00 H new ATOM 425 N LYS A 56 -12.906 4.202 -6.230 1.00 0.00 N ATOM 426 CA LYS A 56 -13.658 5.158 -7.021 1.00 0.00 C ATOM 427 C LYS A 56 -14.812 4.639 -7.919 1.00 0.00 C ATOM 428 O LYS A 56 -15.905 5.196 -7.995 1.00 0.00 O ATOM 429 CB LYS A 56 -12.589 6.100 -7.595 1.00 0.00 C ATOM 430 CG LYS A 56 -12.294 5.892 -9.049 1.00 0.00 C ATOM 431 CD LYS A 56 -11.490 4.664 -9.387 1.00 0.00 C ATOM 432 CE LYS A 56 -10.637 4.755 -10.656 1.00 0.00 C ATOM 433 NZ LYS A 56 -11.421 4.905 -11.897 1.00 0.00 N ATOM 0 H LYS A 56 -11.900 4.276 -6.383 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.361 5.726 -6.412 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.913 7.130 -7.447 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.667 5.971 -7.028 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.240 5.844 -9.589 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.760 6.766 -9.420 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.834 4.439 -8.546 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.174 3.822 -9.491 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.956 5.601 -10.564 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.022 3.858 -10.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.795 5.211 -12.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.856 3.993 -12.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.166 5.616 -11.753 1.00 0.00 H new ATOM 434 N ASN A 57 -14.428 3.563 -8.592 1.00 0.00 N ATOM 435 CA ASN A 57 -15.155 2.826 -9.640 1.00 0.00 C ATOM 436 C ASN A 57 -15.986 1.697 -9.018 1.00 0.00 C ATOM 437 O ASN A 57 -17.214 1.737 -9.093 1.00 0.00 O ATOM 438 CB ASN A 57 -14.027 2.352 -10.606 1.00 0.00 C ATOM 439 CG ASN A 57 -14.394 1.465 -11.780 1.00 0.00 C ATOM 440 OD1 ASN A 57 -15.441 1.607 -12.410 1.00 0.00 O ATOM 441 ND2 ASN A 57 -13.501 0.557 -12.134 1.00 0.00 N ATOM 0 H ASN A 57 -13.519 3.138 -8.409 1.00 0.00 H new ATOM 0 HA ASN A 57 -15.893 3.416 -10.184 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -13.539 3.241 -11.005 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.285 1.821 -10.011 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.674 -0.041 -12.942 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.639 0.454 -11.599 1.00 0.00 H new ATOM 442 N LEU A 58 -15.283 0.715 -8.415 1.00 0.00 N ATOM 443 CA LEU A 58 -15.886 -0.387 -7.641 1.00 0.00 C ATOM 444 C LEU A 58 -16.975 -1.247 -8.271 1.00 0.00 C ATOM 445 O LEU A 58 -17.695 -0.907 -9.214 1.00 0.00 O ATOM 446 CB LEU A 58 -16.028 0.172 -6.228 1.00 0.00 C ATOM 447 CG LEU A 58 -16.126 -0.689 -4.985 1.00 0.00 C ATOM 448 CD1 LEU A 58 -15.060 -1.737 -4.998 1.00 0.00 C ATOM 449 CD2 LEU A 58 -15.907 0.183 -3.740 1.00 0.00 C ATOM 0 H LEU A 58 -14.265 0.666 -8.454 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.245 -1.269 -7.622 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -15.175 0.833 -6.074 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -16.920 0.799 -6.236 1.00 0.00 H new ATOM 0 HG LEU A 58 -17.111 -1.155 -4.965 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.141 -2.349 -4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -15.180 -2.367 -5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -14.081 -1.259 -5.025 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -15.977 -0.436 -2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.920 0.642 -3.787 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -16.668 0.962 -3.703 1.00 0.00 H new ATOM 450 N ASP A 59 -17.036 -2.433 -7.676 1.00 0.00 N ATOM 451 CA ASP A 59 -18.161 -3.366 -7.801 1.00 0.00 C ATOM 452 C ASP A 59 -19.473 -2.816 -7.153 1.00 0.00 C ATOM 453 O ASP A 59 -20.556 -3.299 -7.490 1.00 0.00 O ATOM 454 CB ASP A 59 -17.718 -4.551 -6.872 1.00 0.00 C ATOM 455 CG ASP A 59 -16.848 -5.601 -7.546 1.00 0.00 C ATOM 456 OD1 ASP A 59 -17.303 -6.581 -8.133 1.00 0.00 O ATOM 457 OD2 ASP A 59 -15.510 -5.325 -7.424 1.00 0.00 O ATOM 0 H ASP A 59 -16.289 -2.785 -7.078 1.00 0.00 H new ATOM 0 HA ASP A 59 -18.362 -3.590 -8.849 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -17.175 -4.142 -6.020 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -18.610 -5.038 -6.478 1.00 0.00 H new ATOM 458 N SER A 60 -19.343 -1.897 -6.183 1.00 0.00 N ATOM 459 CA SER A 60 -20.410 -1.494 -5.285 1.00 0.00 C ATOM 460 C SER A 60 -20.412 0.030 -5.189 1.00 0.00 C ATOM 461 O SER A 60 -21.502 0.562 -4.956 1.00 0.00 O ATOM 462 CB SER A 60 -20.076 -2.163 -3.928 1.00 0.00 C ATOM 463 OG SER A 60 -21.251 -2.406 -3.169 1.00 0.00 O ATOM 0 H SER A 60 -18.466 -1.408 -6.006 1.00 0.00 H new ATOM 0 HA SER A 60 -21.402 -1.796 -5.620 1.00 0.00 H new ATOM 0 HB2 SER A 60 -19.553 -3.103 -4.103 1.00 0.00 H new ATOM 0 HB3 SER A 60 -19.400 -1.523 -3.361 1.00 0.00 H new ATOM 0 HG SER A 60 -21.010 -2.830 -2.319 1.00 0.00 H new ATOM 464 N CYS A 61 -19.239 0.737 -5.338 1.00 0.00 N ATOM 465 CA CYS A 61 -19.221 2.173 -5.011 1.00 0.00 C ATOM 466 C CYS A 61 -18.665 3.037 -6.158 1.00 0.00 C ATOM 467 O CYS A 61 -17.463 3.295 -6.262 1.00 0.00 O ATOM 468 CB CYS A 61 -18.497 2.279 -3.668 1.00 0.00 C ATOM 469 SG CYS A 61 -19.134 1.023 -2.494 1.00 0.00 S ATOM 0 H CYS A 61 -18.354 0.348 -5.664 1.00 0.00 H new ATOM 0 HA CYS A 61 -20.221 2.592 -4.903 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -17.426 2.139 -3.814 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -18.634 3.277 -3.252 1.00 0.00 H new ATOM 528 N TYR A 69 -6.534 7.442 -1.027 1.00 0.00 N ATOM 529 CA TYR A 69 -6.201 6.919 0.303 1.00 0.00 C ATOM 530 C TYR A 69 -7.414 7.318 1.203 1.00 0.00 C ATOM 531 O TYR A 69 -7.673 8.524 1.283 1.00 0.00 O ATOM 532 CB TYR A 69 -4.960 7.582 0.990 1.00 0.00 C ATOM 533 CG TYR A 69 -3.586 7.750 0.291 1.00 0.00 C ATOM 534 CD1 TYR A 69 -3.107 6.893 -0.716 1.00 0.00 C ATOM 535 CD2 TYR A 69 -2.721 8.779 0.713 1.00 0.00 C ATOM 536 CE1 TYR A 69 -1.924 7.170 -1.405 1.00 0.00 C ATOM 537 CE2 TYR A 69 -1.541 9.062 0.021 1.00 0.00 C ATOM 538 CZ TYR A 69 -1.168 8.285 -1.066 1.00 0.00 C ATOM 539 OH TYR A 69 -0.058 8.610 -1.782 1.00 0.00 O ATOM 0 HA TYR A 69 -5.985 5.857 0.192 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -5.274 8.580 1.294 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.774 7.015 1.902 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -3.666 6.002 -0.962 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.975 9.360 1.588 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -1.597 6.517 -2.201 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.918 9.887 0.333 1.00 0.00 H new ATOM 0 HH TYR A 69 0.079 9.580 -1.751 1.00 0.00 H new ATOM 540 N THR A 70 -8.115 6.355 1.842 1.00 0.00 N ATOM 541 CA THR A 70 -9.036 6.649 2.967 1.00 0.00 C ATOM 542 C THR A 70 -9.937 5.496 3.511 1.00 0.00 C ATOM 543 O THR A 70 -10.177 5.541 4.719 1.00 0.00 O ATOM 544 CB THR A 70 -9.975 7.927 2.907 1.00 0.00 C ATOM 545 OG1 THR A 70 -10.369 8.281 1.580 1.00 0.00 O ATOM 546 CG2 THR A 70 -9.326 9.107 3.643 1.00 0.00 C ATOM 0 H THR A 70 -8.062 5.366 1.599 1.00 0.00 H new ATOM 0 HA THR A 70 -8.206 6.848 3.645 1.00 0.00 H new ATOM 0 HB THR A 70 -10.899 7.663 3.421 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.586 8.589 1.077 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.984 9.974 3.591 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.161 8.838 4.686 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.372 9.347 3.175 1.00 0.00 H new ATOM 547 N GLU A 71 -10.484 4.551 2.708 1.00 0.00 N ATOM 548 CA GLU A 71 -11.637 3.711 3.163 1.00 0.00 C ATOM 549 C GLU A 71 -11.543 2.928 4.498 1.00 0.00 C ATOM 550 O GLU A 71 -11.961 3.502 5.510 1.00 0.00 O ATOM 551 CB GLU A 71 -12.331 2.890 2.034 1.00 0.00 C ATOM 552 CG GLU A 71 -12.975 3.736 0.922 1.00 0.00 C ATOM 553 CD GLU A 71 -14.260 4.448 1.337 1.00 0.00 C ATOM 554 OE1 GLU A 71 -14.275 5.535 1.912 1.00 0.00 O ATOM 555 OE2 GLU A 71 -15.384 3.748 0.982 1.00 0.00 O ATOM 0 H GLU A 71 -10.160 4.348 1.762 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.303 4.524 3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.595 2.224 1.584 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.099 2.260 2.482 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.254 4.481 0.585 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.190 3.091 0.070 1.00 0.00 H new ATOM 556 N SER A 72 -11.085 1.651 4.545 1.00 0.00 N ATOM 557 CA SER A 72 -11.423 0.787 5.718 1.00 0.00 C ATOM 558 C SER A 72 -10.509 -0.443 6.009 1.00 0.00 C ATOM 559 O SER A 72 -9.772 -0.897 5.137 1.00 0.00 O ATOM 560 CB SER A 72 -12.842 0.241 5.389 1.00 0.00 C ATOM 561 OG SER A 72 -13.511 -0.232 6.551 1.00 0.00 O ATOM 0 H SER A 72 -10.510 1.209 3.828 1.00 0.00 H new ATOM 0 HA SER A 72 -11.313 1.405 6.609 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.435 1.028 4.924 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.760 -0.568 4.663 1.00 0.00 H new ATOM 0 HG SER A 72 -14.455 0.028 6.514 1.00 0.00 H new ATOM 562 N TYR A 73 -10.669 -0.945 7.245 1.00 0.00 N ATOM 563 CA TYR A 73 -10.066 -2.095 7.885 1.00 0.00 C ATOM 564 C TYR A 73 -10.916 -2.237 9.255 1.00 0.00 C ATOM 565 O TYR A 73 -11.585 -1.354 9.802 1.00 0.00 O ATOM 566 CB TYR A 73 -8.634 -1.830 8.370 1.00 0.00 C ATOM 567 CG TYR A 73 -7.490 -2.299 7.520 1.00 0.00 C ATOM 568 CD1 TYR A 73 -7.603 -2.730 6.203 1.00 0.00 C ATOM 569 CD2 TYR A 73 -6.253 -2.353 8.150 1.00 0.00 C ATOM 570 CE1 TYR A 73 -6.495 -3.151 5.506 1.00 0.00 C ATOM 571 CE2 TYR A 73 -5.132 -2.795 7.467 1.00 0.00 C ATOM 572 CZ TYR A 73 -5.249 -3.112 6.098 1.00 0.00 C ATOM 573 OH TYR A 73 -4.149 -3.322 5.329 1.00 0.00 O ATOM 0 H TYR A 73 -11.310 -0.483 7.890 1.00 0.00 H new ATOM 0 HA TYR A 73 -10.058 -2.938 7.194 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -8.525 -0.754 8.508 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -8.527 -2.290 9.352 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -8.570 -2.734 5.723 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -6.165 -2.047 9.182 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.600 -3.513 4.494 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.184 -2.895 7.975 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.027 -4.284 5.188 1.00 0.00 H new ATOM 574 N SER A 74 -10.687 -3.430 9.752 1.00 0.00 N ATOM 575 CA SER A 74 -11.070 -3.952 11.077 1.00 0.00 C ATOM 576 C SER A 74 -10.171 -5.218 11.199 1.00 0.00 C ATOM 577 O SER A 74 -10.613 -6.354 10.990 1.00 0.00 O ATOM 578 CB SER A 74 -12.565 -4.248 10.977 1.00 0.00 C ATOM 579 OG SER A 74 -13.108 -4.745 12.185 1.00 0.00 O ATOM 0 H SER A 74 -10.187 -4.132 9.207 1.00 0.00 H new ATOM 0 HA SER A 74 -10.931 -3.311 11.947 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.093 -3.337 10.694 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.734 -4.974 10.182 1.00 0.00 H new ATOM 0 HG SER A 74 -14.066 -4.916 12.067 1.00 0.00 H new ATOM 580 N TYR A 75 -8.878 -4.990 11.458 1.00 0.00 N ATOM 581 CA TYR A 75 -7.806 -5.953 11.187 1.00 0.00 C ATOM 582 C TYR A 75 -7.478 -6.810 12.423 1.00 0.00 C ATOM 583 O TYR A 75 -8.130 -6.782 13.474 1.00 0.00 O ATOM 584 CB TYR A 75 -6.635 -5.144 10.527 1.00 0.00 C ATOM 585 CG TYR A 75 -5.802 -4.278 11.468 1.00 0.00 C ATOM 586 CD1 TYR A 75 -6.296 -3.090 12.040 1.00 0.00 C ATOM 587 CD2 TYR A 75 -4.598 -4.793 11.929 1.00 0.00 C ATOM 588 CE1 TYR A 75 -5.640 -2.508 13.125 1.00 0.00 C ATOM 589 CE2 TYR A 75 -3.940 -4.212 13.005 1.00 0.00 C ATOM 590 CZ TYR A 75 -4.470 -3.085 13.627 1.00 0.00 C ATOM 591 OH TYR A 75 -3.854 -2.546 14.718 1.00 0.00 O ATOM 0 H TYR A 75 -8.543 -4.118 11.868 1.00 0.00 H new ATOM 0 HA TYR A 75 -8.093 -6.727 10.475 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -5.969 -5.849 10.030 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.055 -4.502 9.753 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -7.185 -2.628 11.638 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.167 -5.657 11.444 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -6.036 -1.611 13.577 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.013 -4.636 13.361 1.00 0.00 H new ATOM 0 HH TYR A 75 -3.055 -3.070 14.935 1.00 0.00 H new ATOM 592 N SER A 76 -6.443 -7.608 12.209 1.00 0.00 N ATOM 593 CA SER A 76 -6.188 -8.814 13.037 1.00 0.00 C ATOM 594 C SER A 76 -4.874 -9.042 13.810 1.00 0.00 C ATOM 595 O SER A 76 -4.822 -10.024 14.560 1.00 0.00 O ATOM 596 CB SER A 76 -6.116 -9.849 11.859 1.00 0.00 C ATOM 597 OG SER A 76 -6.048 -11.212 12.254 1.00 0.00 O ATOM 0 H SER A 76 -5.755 -7.456 11.471 1.00 0.00 H new ATOM 0 HA SER A 76 -6.918 -8.819 13.847 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.992 -9.715 11.225 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.242 -9.620 11.249 1.00 0.00 H new ATOM 0 HG SER A 76 -5.596 -11.279 13.121 1.00 0.00 H new ATOM 598 N CYS A 77 -3.827 -8.222 13.642 1.00 0.00 N ATOM 599 CA CYS A 77 -2.438 -8.755 13.741 1.00 0.00 C ATOM 600 C CYS A 77 -1.952 -9.310 15.075 1.00 0.00 C ATOM 601 O CYS A 77 -2.310 -8.827 16.153 1.00 0.00 O ATOM 602 CB CYS A 77 -1.501 -7.712 13.145 1.00 0.00 C ATOM 603 SG CYS A 77 0.156 -8.369 12.888 1.00 0.00 S ATOM 0 H CYS A 77 -3.896 -7.224 13.444 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.441 -9.683 13.169 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -1.904 -7.362 12.195 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.451 -6.848 13.808 1.00 0.00 H new ATOM 604 N SER A 78 -1.145 -10.376 14.943 1.00 0.00 N ATOM 605 CA SER A 78 -0.682 -11.189 16.094 1.00 0.00 C ATOM 606 C SER A 78 0.825 -10.951 16.312 1.00 0.00 C ATOM 607 O SER A 78 1.270 -9.835 16.595 1.00 0.00 O ATOM 608 CB SER A 78 -1.254 -12.617 15.871 1.00 0.00 C ATOM 609 OG SER A 78 -1.014 -13.456 16.997 1.00 0.00 O ATOM 0 H SER A 78 -0.793 -10.702 14.043 1.00 0.00 H new ATOM 0 HA SER A 78 -1.059 -10.915 17.079 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.326 -12.556 15.683 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.800 -13.058 14.984 1.00 0.00 H new ATOM 0 HG SER A 78 -1.387 -14.346 16.827 1.00 0.00 H new ATOM 610 N ASN A 79 1.559 -12.042 16.162 1.00 0.00 N ATOM 611 CA ASN A 79 3.030 -12.098 15.991 1.00 0.00 C ATOM 612 C ASN A 79 3.595 -11.078 14.934 1.00 0.00 C ATOM 613 O ASN A 79 4.519 -10.311 15.203 1.00 0.00 O ATOM 614 CB ASN A 79 3.329 -13.566 15.495 1.00 0.00 C ATOM 615 CG ASN A 79 3.380 -14.645 16.575 1.00 0.00 C ATOM 616 OD1 ASN A 79 3.515 -14.388 17.772 1.00 0.00 O ATOM 617 ND2 ASN A 79 3.295 -15.898 16.167 1.00 0.00 N ATOM 0 H ASN A 79 1.136 -12.970 16.154 1.00 0.00 H new ATOM 0 HA ASN A 79 3.511 -11.834 16.933 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.566 -13.844 14.768 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.284 -13.562 14.969 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.341 -16.659 16.844 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.183 -16.105 15.174 1.00 0.00 H new ATOM 618 N THR A 80 2.960 -11.165 13.771 1.00 0.00 N ATOM 619 CA THR A 80 3.225 -10.428 12.530 1.00 0.00 C ATOM 620 C THR A 80 1.986 -10.537 11.525 1.00 0.00 C ATOM 621 O THR A 80 1.840 -9.677 10.664 1.00 0.00 O ATOM 622 CB THR A 80 4.479 -10.918 11.732 1.00 0.00 C ATOM 623 OG1 THR A 80 4.343 -12.276 11.310 1.00 0.00 O ATOM 624 CG2 THR A 80 5.804 -10.804 12.469 1.00 0.00 C ATOM 0 H THR A 80 2.177 -11.808 13.657 1.00 0.00 H new ATOM 0 HA THR A 80 3.403 -9.407 12.868 1.00 0.00 H new ATOM 0 HB THR A 80 4.509 -10.235 10.883 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.144 -12.546 10.814 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.608 -11.169 11.830 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.989 -9.761 12.725 1.00 0.00 H new ATOM 0 HG23 THR A 80 5.766 -11.400 13.381 1.00 0.00 H new ATOM 625 N GLU A 81 1.176 -11.598 11.668 1.00 0.00 N ATOM 626 CA GLU A 81 0.187 -12.068 10.686 1.00 0.00 C ATOM 627 C GLU A 81 -1.228 -11.534 10.849 1.00 0.00 C ATOM 628 O GLU A 81 -1.777 -11.527 11.953 1.00 0.00 O ATOM 629 CB GLU A 81 0.122 -13.616 10.899 1.00 0.00 C ATOM 630 CG GLU A 81 1.418 -14.237 10.370 1.00 0.00 C ATOM 631 CD GLU A 81 1.431 -15.743 10.309 1.00 0.00 C ATOM 632 OE1 GLU A 81 0.945 -16.218 9.118 1.00 0.00 O ATOM 633 OE2 GLU A 81 1.834 -16.455 11.229 1.00 0.00 O ATOM 0 H GLU A 81 1.194 -12.177 12.508 1.00 0.00 H new ATOM 0 HA GLU A 81 0.510 -11.724 9.703 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.004 -13.847 11.957 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.739 -14.034 10.377 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.607 -13.847 9.370 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.244 -13.908 11.001 1.00 0.00 H new ATOM 634 N ILE A 82 -1.815 -11.160 9.698 1.00 0.00 N ATOM 635 CA ILE A 82 -3.026 -10.307 9.681 1.00 0.00 C ATOM 636 C ILE A 82 -4.155 -10.924 8.762 1.00 0.00 C ATOM 637 O ILE A 82 -4.186 -12.124 8.476 1.00 0.00 O ATOM 638 CB ILE A 82 -2.626 -8.810 9.358 1.00 0.00 C ATOM 639 CG1 ILE A 82 -1.257 -8.319 9.905 1.00 0.00 C ATOM 640 CG2 ILE A 82 -3.641 -7.802 9.933 1.00 0.00 C ATOM 641 CD1 ILE A 82 -0.146 -8.308 8.894 1.00 0.00 C ATOM 0 H ILE A 82 -1.478 -11.430 8.774 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.482 -10.281 10.671 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.591 -8.838 8.269 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.380 -7.311 10.301 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.965 -8.956 10.740 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.326 -6.788 9.687 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.625 -7.991 9.503 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.691 -7.914 11.016 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.770 -7.952 9.364 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.010 -9.318 8.514 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.411 -7.647 8.069 1.00 0.00 H new ATOM 642 N THR A 83 -5.106 -10.054 8.396 1.00 0.00 N ATOM 643 CA THR A 83 -6.258 -10.328 7.521 1.00 0.00 C ATOM 644 C THR A 83 -6.616 -8.972 6.847 1.00 0.00 C ATOM 645 O THR A 83 -5.845 -8.592 5.968 1.00 0.00 O ATOM 646 CB THR A 83 -7.377 -11.175 8.153 1.00 0.00 C ATOM 647 OG1 THR A 83 -8.125 -11.799 7.107 1.00 0.00 O ATOM 648 CG2 THR A 83 -8.356 -10.452 9.066 1.00 0.00 C ATOM 0 H THR A 83 -5.093 -9.087 8.719 1.00 0.00 H new ATOM 0 HA THR A 83 -6.015 -11.033 6.726 1.00 0.00 H new ATOM 0 HB THR A 83 -6.852 -11.878 8.800 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.841 -12.343 7.497 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.092 -11.161 9.444 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.815 -10.010 9.902 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.863 -9.666 8.506 1.00 0.00 H new ATOM 649 N CYS A 84 -7.715 -8.227 7.171 1.00 0.00 N ATOM 650 CA CYS A 84 -8.210 -7.115 6.311 1.00 0.00 C ATOM 651 C CYS A 84 -9.220 -6.296 7.177 1.00 0.00 C ATOM 652 O CYS A 84 -8.796 -5.555 8.065 1.00 0.00 O ATOM 653 CB CYS A 84 -8.801 -7.827 5.058 1.00 0.00 C ATOM 654 SG CYS A 84 -8.989 -6.920 3.543 1.00 0.00 S ATOM 0 H CYS A 84 -8.268 -8.377 8.015 1.00 0.00 H new ATOM 0 HA CYS A 84 -7.472 -6.392 5.963 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -8.171 -8.690 4.845 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -9.784 -8.210 5.333 1.00 0.00 H new ATOM 655 N ASN A 85 -10.525 -6.442 6.910 1.00 0.00 N ATOM 656 CA ASN A 85 -11.643 -5.961 7.731 1.00 0.00 C ATOM 657 C ASN A 85 -12.491 -7.190 8.217 1.00 0.00 C ATOM 658 O ASN A 85 -12.081 -8.351 8.080 1.00 0.00 O ATOM 659 CB ASN A 85 -12.385 -4.838 6.956 1.00 0.00 C ATOM 660 CG ASN A 85 -13.454 -5.194 5.917 1.00 0.00 C ATOM 661 OD1 ASN A 85 -13.387 -6.357 5.281 1.00 0.00 O flip ATOM 662 ND2 ASN A 85 -14.367 -4.408 5.670 1.00 0.00 N flip ATOM 0 H ASN A 85 -10.845 -6.925 6.071 1.00 0.00 H new ATOM 0 HA ASN A 85 -11.326 -5.482 8.657 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -12.857 -4.192 7.696 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -11.627 -4.241 6.448 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -14.417 -3.515 6.160 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -15.074 -4.650 4.976 1.00 0.00 H new ATOM 663 N SER A 86 -13.672 -6.931 8.800 1.00 0.00 N ATOM 664 CA SER A 86 -14.644 -8.000 9.160 1.00 0.00 C ATOM 665 C SER A 86 -16.119 -7.519 8.983 1.00 0.00 C ATOM 666 O SER A 86 -16.969 -7.769 9.844 1.00 0.00 O ATOM 667 CB SER A 86 -14.368 -8.522 10.594 1.00 0.00 C ATOM 668 OG SER A 86 -13.082 -9.126 10.708 1.00 0.00 O ATOM 0 H SER A 86 -13.987 -5.990 9.037 1.00 0.00 H new ATOM 0 HA SER A 86 -14.506 -8.834 8.471 1.00 0.00 H new ATOM 0 HB2 SER A 86 -14.443 -7.696 11.301 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.134 -9.247 10.869 1.00 0.00 H new ATOM 0 HG SER A 86 -12.628 -9.095 9.840 1.00 0.00 H new ATOM 669 N LYS A 87 -16.428 -6.860 7.843 1.00 0.00 N ATOM 670 CA LYS A 87 -17.765 -6.256 7.595 1.00 0.00 C ATOM 671 C LYS A 87 -18.070 -5.939 6.089 1.00 0.00 C ATOM 672 O LYS A 87 -18.680 -4.911 5.789 1.00 0.00 O ATOM 673 CB LYS A 87 -17.982 -5.037 8.538 1.00 0.00 C ATOM 674 CG LYS A 87 -16.994 -3.880 8.379 1.00 0.00 C ATOM 675 CD LYS A 87 -15.907 -3.739 9.446 1.00 0.00 C ATOM 676 CE LYS A 87 -16.368 -3.293 10.844 1.00 0.00 C ATOM 677 NZ LYS A 87 -16.846 -1.897 10.895 1.00 0.00 N ATOM 0 H LYS A 87 -15.769 -6.731 7.075 1.00 0.00 H new ATOM 0 HA LYS A 87 -18.506 -7.016 7.841 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -18.989 -4.653 8.376 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -17.936 -5.388 9.569 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.505 -3.983 7.410 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -17.563 -2.951 8.351 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.400 -4.699 9.545 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.168 -3.023 9.087 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.167 -3.954 11.181 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.541 -3.410 11.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.140 -1.666 11.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.080 -1.257 10.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.655 -1.784 10.252 1.00 0.00 H new ATOM 678 N ASN A 88 -17.710 -6.857 5.169 1.00 0.00 N ATOM 679 CA ASN A 88 -17.807 -6.638 3.711 1.00 0.00 C ATOM 680 C ASN A 88 -19.066 -6.068 2.989 1.00 0.00 C ATOM 681 O ASN A 88 -20.046 -6.751 2.686 1.00 0.00 O ATOM 682 CB ASN A 88 -17.253 -7.863 2.914 1.00 0.00 C ATOM 683 CG ASN A 88 -18.015 -9.183 2.997 1.00 0.00 C ATOM 684 OD1 ASN A 88 -18.924 -9.444 2.210 1.00 0.00 O ATOM 685 ND2 ASN A 88 -17.661 -10.051 3.930 1.00 0.00 N ATOM 0 H ASN A 88 -17.342 -7.775 5.418 1.00 0.00 H new ATOM 0 HA ASN A 88 -17.192 -5.738 3.689 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -17.195 -7.578 1.864 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -16.233 -8.046 3.252 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -18.143 -10.947 4.002 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -16.906 -9.824 4.577 1.00 0.00 H new ATOM 686 N ASN A 89 -18.901 -4.792 2.652 1.00 0.00 N ATOM 687 CA ASN A 89 -19.443 -4.175 1.417 1.00 0.00 C ATOM 688 C ASN A 89 -18.126 -3.725 0.665 1.00 0.00 C ATOM 689 O ASN A 89 -17.139 -3.354 1.306 1.00 0.00 O ATOM 690 CB ASN A 89 -20.337 -2.948 1.657 1.00 0.00 C ATOM 691 CG ASN A 89 -21.665 -3.252 2.350 1.00 0.00 C ATOM 692 OD1 ASN A 89 -22.577 -3.823 1.753 1.00 0.00 O ATOM 693 ND2 ASN A 89 -21.810 -2.885 3.612 1.00 0.00 N ATOM 0 H ASN A 89 -18.379 -4.135 3.232 1.00 0.00 H new ATOM 0 HA ASN A 89 -20.087 -4.872 0.880 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -19.786 -2.226 2.259 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -20.543 -2.473 0.698 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -22.685 -3.075 4.101 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -21.047 -2.412 4.097 1.00 0.00 H new ATOM 694 N ALA A 90 -18.084 -3.733 -0.675 1.00 0.00 N ATOM 695 CA ALA A 90 -16.822 -3.418 -1.418 1.00 0.00 C ATOM 696 C ALA A 90 -16.199 -2.014 -1.154 1.00 0.00 C ATOM 697 O ALA A 90 -14.978 -1.890 -1.110 1.00 0.00 O ATOM 698 CB ALA A 90 -17.029 -3.703 -2.902 1.00 0.00 C ATOM 0 H ALA A 90 -18.884 -3.948 -1.271 1.00 0.00 H new ATOM 0 HA ALA A 90 -16.059 -4.082 -1.012 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -16.113 -3.475 -3.447 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -17.281 -4.755 -3.039 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -17.841 -3.083 -3.282 1.00 0.00 H new ATOM 699 N CYS A 91 -17.011 -0.979 -0.902 1.00 0.00 N ATOM 700 CA CYS A 91 -16.559 0.304 -0.275 1.00 0.00 C ATOM 701 C CYS A 91 -15.465 0.191 0.864 1.00 0.00 C ATOM 702 O CYS A 91 -14.512 0.961 0.871 1.00 0.00 O ATOM 703 CB CYS A 91 -17.819 0.821 0.453 1.00 0.00 C ATOM 704 SG CYS A 91 -19.099 1.577 -0.567 1.00 0.00 S ATOM 0 H CYS A 91 -18.007 -0.992 -1.122 1.00 0.00 H new ATOM 0 HA CYS A 91 -16.121 0.912 -1.067 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -18.265 -0.014 0.993 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -17.504 1.551 1.199 1.00 0.00 H new ATOM 705 N GLU A 92 -15.683 -0.728 1.810 1.00 0.00 N ATOM 706 CA GLU A 92 -14.768 -1.057 2.906 1.00 0.00 C ATOM 707 C GLU A 92 -13.873 -2.253 2.559 1.00 0.00 C ATOM 708 O GLU A 92 -12.658 -2.080 2.473 1.00 0.00 O ATOM 709 CB GLU A 92 -15.485 -1.265 4.269 1.00 0.00 C ATOM 710 CG GLU A 92 -16.781 -2.082 4.256 1.00 0.00 C ATOM 711 CD GLU A 92 -17.709 -1.795 5.427 1.00 0.00 C ATOM 712 OE1 GLU A 92 -17.352 -1.280 6.487 1.00 0.00 O ATOM 713 OE2 GLU A 92 -19.002 -2.157 5.150 1.00 0.00 O ATOM 0 H GLU A 92 -16.537 -1.285 1.833 1.00 0.00 H new ATOM 0 HA GLU A 92 -14.130 -0.182 3.030 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -14.785 -1.751 4.949 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -15.707 -0.284 4.688 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -17.314 -1.882 3.327 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -16.529 -3.143 4.258 1.00 0.00 H new ATOM 714 N ALA A 93 -14.479 -3.446 2.388 1.00 0.00 N ATOM 715 CA ALA A 93 -13.741 -4.678 2.133 1.00 0.00 C ATOM 716 C ALA A 93 -12.901 -4.747 0.873 1.00 0.00 C ATOM 717 O ALA A 93 -11.858 -5.405 0.930 1.00 0.00 O ATOM 718 CB ALA A 93 -14.612 -5.928 2.109 1.00 0.00 C ATOM 0 H ALA A 93 -15.491 -3.571 2.425 1.00 0.00 H new ATOM 0 HA ALA A 93 -13.071 -4.651 2.993 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.990 -6.801 1.914 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.108 -6.044 3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.362 -5.834 1.324 1.00 0.00 H new ATOM 719 N PHE A 94 -13.337 -4.150 -0.265 1.00 0.00 N ATOM 720 CA PHE A 94 -12.449 -4.213 -1.473 1.00 0.00 C ATOM 721 C PHE A 94 -11.214 -3.314 -1.278 1.00 0.00 C ATOM 722 O PHE A 94 -10.132 -3.708 -1.726 1.00 0.00 O ATOM 723 CB PHE A 94 -13.286 -4.072 -2.746 1.00 0.00 C ATOM 724 CG PHE A 94 -12.654 -3.599 -4.054 1.00 0.00 C ATOM 725 CD1 PHE A 94 -11.922 -2.413 -4.083 1.00 0.00 C ATOM 726 CD2 PHE A 94 -13.064 -4.142 -5.281 1.00 0.00 C ATOM 727 CE1 PHE A 94 -11.470 -1.867 -5.269 1.00 0.00 C ATOM 728 CE2 PHE A 94 -12.625 -3.590 -6.492 1.00 0.00 C ATOM 729 CZ PHE A 94 -11.802 -2.460 -6.479 1.00 0.00 C ATOM 0 H PHE A 94 -14.222 -3.656 -0.381 1.00 0.00 H new ATOM 0 HA PHE A 94 -11.990 -5.192 -1.609 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -13.736 -5.045 -2.942 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -14.101 -3.385 -2.518 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -11.702 -1.908 -3.154 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -13.726 -4.995 -5.292 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -10.858 -0.978 -5.254 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -12.921 -4.035 -7.430 1.00 0.00 H new ATOM 0 HZ PHE A 94 -11.427 -2.051 -7.405 1.00 0.00 H new ATOM 730 N ILE A 95 -11.366 -2.119 -0.652 1.00 0.00 N ATOM 731 CA ILE A 95 -10.194 -1.249 -0.361 1.00 0.00 C ATOM 732 C ILE A 95 -9.280 -1.945 0.687 1.00 0.00 C ATOM 733 O ILE A 95 -8.069 -1.951 0.460 1.00 0.00 O ATOM 734 CB ILE A 95 -10.605 0.195 0.050 1.00 0.00 C ATOM 735 CG1 ILE A 95 -11.266 0.959 -1.125 1.00 0.00 C ATOM 736 CG2 ILE A 95 -9.363 1.046 0.481 1.00 0.00 C ATOM 737 CD1 ILE A 95 -12.694 0.589 -1.506 1.00 0.00 C ATOM 0 H ILE A 95 -12.263 -1.742 -0.345 1.00 0.00 H new ATOM 0 HA ILE A 95 -9.621 -1.120 -1.279 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.304 0.074 0.878 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.250 2.022 -0.883 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -10.639 0.823 -2.006 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -9.688 2.048 0.761 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.875 0.572 1.332 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -8.661 1.111 -0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -13.019 1.207 -2.343 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -12.733 -0.461 -1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -13.353 0.756 -0.654 1.00 0.00 H new ATOM 738 N CYS A 96 -9.856 -2.561 1.757 1.00 0.00 N ATOM 739 CA CYS A 96 -9.104 -3.449 2.669 1.00 0.00 C ATOM 740 C CYS A 96 -8.247 -4.522 1.952 1.00 0.00 C ATOM 741 O CYS A 96 -7.110 -4.726 2.370 1.00 0.00 O ATOM 742 CB CYS A 96 -10.014 -4.064 3.761 1.00 0.00 C ATOM 743 SG CYS A 96 -10.587 -5.725 3.449 1.00 0.00 S ATOM 0 H CYS A 96 -10.840 -2.454 2.003 1.00 0.00 H new ATOM 0 HA CYS A 96 -8.383 -2.800 3.166 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -9.470 -4.059 4.706 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -10.883 -3.418 3.890 1.00 0.00 H new ATOM 744 N ASN A 97 -8.767 -5.162 0.878 1.00 0.00 N ATOM 745 CA ASN A 97 -8.030 -6.231 0.144 1.00 0.00 C ATOM 746 C ASN A 97 -6.775 -5.815 -0.610 1.00 0.00 C ATOM 747 O ASN A 97 -5.797 -6.562 -0.516 1.00 0.00 O ATOM 748 CB ASN A 97 -9.035 -6.949 -0.764 1.00 0.00 C ATOM 749 CG ASN A 97 -8.679 -8.360 -1.224 1.00 0.00 C ATOM 750 OD1 ASN A 97 -7.855 -9.065 -0.640 1.00 0.00 O ATOM 751 ND2 ASN A 97 -9.332 -8.823 -2.273 1.00 0.00 N ATOM 0 H ASN A 97 -9.692 -4.961 0.497 1.00 0.00 H new ATOM 0 HA ASN A 97 -7.616 -6.895 0.902 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -9.990 -6.996 -0.240 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -9.188 -6.334 -1.651 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -9.156 -9.771 -2.606 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -10.013 -8.233 -2.751 1.00 0.00 H new ATOM 752 N CYS A 98 -6.760 -4.681 -1.341 1.00 0.00 N ATOM 753 CA CYS A 98 -5.474 -4.194 -1.900 1.00 0.00 C ATOM 754 C CYS A 98 -4.491 -3.693 -0.804 1.00 0.00 C ATOM 755 O CYS A 98 -3.303 -3.978 -0.937 1.00 0.00 O ATOM 756 CB CYS A 98 -5.608 -3.267 -3.116 1.00 0.00 C ATOM 757 SG CYS A 98 -4.481 -3.950 -4.376 1.00 0.00 S ATOM 0 H CYS A 98 -7.577 -4.108 -1.553 1.00 0.00 H new ATOM 0 HA CYS A 98 -4.999 -5.077 -2.327 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -6.635 -3.243 -3.480 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -5.336 -2.243 -2.860 1.00 0.00 H new ATOM 758 N ASP A 99 -4.962 -3.013 0.267 1.00 0.00 N ATOM 759 CA ASP A 99 -4.124 -2.604 1.433 1.00 0.00 C ATOM 760 C ASP A 99 -3.322 -3.749 2.141 1.00 0.00 C ATOM 761 O ASP A 99 -2.158 -3.571 2.498 1.00 0.00 O ATOM 762 CB ASP A 99 -4.994 -1.958 2.540 1.00 0.00 C ATOM 763 CG ASP A 99 -5.907 -0.802 2.208 1.00 0.00 C ATOM 764 OD1 ASP A 99 -5.398 -0.007 1.225 1.00 0.00 O ATOM 765 OD2 ASP A 99 -6.971 -0.594 2.789 1.00 0.00 O ATOM 0 H ASP A 99 -5.938 -2.728 0.353 1.00 0.00 H new ATOM 0 HA ASP A 99 -3.409 -1.916 0.982 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.613 -2.747 2.967 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.319 -1.622 3.327 1.00 0.00 H new ATOM 766 N ARG A 100 -4.007 -4.871 2.349 1.00 0.00 N ATOM 767 CA ARG A 100 -3.478 -6.088 2.958 1.00 0.00 C ATOM 768 C ARG A 100 -2.734 -6.998 1.993 1.00 0.00 C ATOM 769 O ARG A 100 -1.768 -7.595 2.453 1.00 0.00 O ATOM 770 CB ARG A 100 -4.595 -6.744 3.763 1.00 0.00 C ATOM 771 CG ARG A 100 -5.699 -7.514 3.050 1.00 0.00 C ATOM 772 CD ARG A 100 -5.427 -8.908 2.497 1.00 0.00 C ATOM 773 NE ARG A 100 -4.702 -9.746 3.462 1.00 0.00 N ATOM 774 CZ ARG A 100 -4.021 -10.862 3.157 1.00 0.00 C ATOM 775 NH1 ARG A 100 -3.910 -11.358 1.928 1.00 0.00 N ATOM 776 NH2 ARG A 100 -3.427 -11.507 4.142 1.00 0.00 N ATOM 0 H ARG A 100 -4.988 -4.960 2.086 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.677 -5.830 3.651 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.126 -7.430 4.469 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -5.074 -5.961 4.350 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.534 -7.599 3.745 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.038 -6.897 2.218 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.371 -9.387 2.237 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -4.847 -8.828 1.578 1.00 0.00 H new ATOM 0 HE ARG A 100 -4.717 -9.457 4.440 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -4.359 -10.884 1.144 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -3.376 -12.212 1.769 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -3.494 -11.154 5.097 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -2.900 -12.359 3.949 1.00 0.00 H new ATOM 777 N ASN A 101 -3.089 -7.125 0.688 1.00 0.00 N ATOM 778 CA ASN A 101 -2.113 -7.699 -0.284 1.00 0.00 C ATOM 779 C ASN A 101 -0.906 -6.709 -0.596 1.00 0.00 C ATOM 780 O ASN A 101 0.055 -7.129 -1.241 1.00 0.00 O ATOM 781 CB ASN A 101 -2.813 -8.125 -1.590 1.00 0.00 C ATOM 782 CG ASN A 101 -3.700 -9.369 -1.458 1.00 0.00 C ATOM 783 OD1 ASN A 101 -3.135 -10.555 -1.610 1.00 0.00 O flip ATOM 784 ND2 ASN A 101 -4.902 -9.273 -1.219 1.00 0.00 N flip ATOM 0 H ASN A 101 -3.991 -6.855 0.297 1.00 0.00 H new ATOM 0 HA ASN A 101 -1.689 -8.584 0.191 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -3.423 -7.296 -1.948 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -2.054 -8.314 -2.349 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.327 -8.353 -1.104 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -5.474 -10.113 -1.136 1.00 0.00 H new ATOM 785 N ALA A 102 -0.965 -5.456 -0.100 1.00 0.00 N ATOM 786 CA ALA A 102 0.178 -4.555 0.032 1.00 0.00 C ATOM 787 C ALA A 102 0.951 -4.771 1.358 1.00 0.00 C ATOM 788 O ALA A 102 2.143 -4.563 1.272 1.00 0.00 O ATOM 789 CB ALA A 102 -0.249 -3.111 -0.208 1.00 0.00 C ATOM 0 H ALA A 102 -1.837 -5.040 0.226 1.00 0.00 H new ATOM 0 HA ALA A 102 0.900 -4.800 -0.747 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.615 -2.454 -0.106 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.660 -3.015 -1.213 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.007 -2.830 0.523 1.00 0.00 H new ATOM 790 N ALA A 103 0.411 -5.205 2.530 1.00 0.00 N ATOM 791 CA ALA A 103 1.282 -5.740 3.660 1.00 0.00 C ATOM 792 C ALA A 103 2.170 -7.011 3.340 1.00 0.00 C ATOM 793 O ALA A 103 3.113 -7.316 4.053 1.00 0.00 O ATOM 794 CB ALA A 103 0.346 -6.077 4.824 1.00 0.00 C ATOM 0 H ALA A 103 -0.589 -5.204 2.732 1.00 0.00 H new ATOM 0 HA ALA A 103 2.008 -4.956 3.874 1.00 0.00 H new ATOM 0 HB1 ALA A 103 0.929 -6.465 5.659 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.183 -5.177 5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.376 -6.829 4.505 1.00 0.00 H new ATOM 795 N ILE A 104 1.758 -7.696 2.295 1.00 0.00 N ATOM 796 CA ILE A 104 2.292 -8.938 1.659 1.00 0.00 C ATOM 797 C ILE A 104 3.295 -8.645 0.531 1.00 0.00 C ATOM 798 O ILE A 104 4.317 -9.295 0.355 1.00 0.00 O ATOM 799 CB ILE A 104 0.959 -9.555 1.089 1.00 0.00 C ATOM 800 CG1 ILE A 104 0.105 -10.352 2.088 1.00 0.00 C ATOM 801 CG2 ILE A 104 1.033 -10.321 -0.241 1.00 0.00 C ATOM 802 CD1 ILE A 104 0.070 -9.832 3.512 1.00 0.00 C ATOM 0 H ILE A 104 0.934 -7.374 1.787 1.00 0.00 H new ATOM 0 HA ILE A 104 2.852 -9.579 2.340 1.00 0.00 H new ATOM 0 HB ILE A 104 0.451 -8.616 0.870 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -0.917 -10.386 1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 104 0.472 -11.378 2.108 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.041 -10.687 -0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.396 -9.656 -1.024 1.00 0.00 H new ATOM 0 HG23 ILE A 104 1.715 -11.165 -0.137 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.564 -10.478 4.120 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.080 -9.826 3.922 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.331 -8.818 3.519 1.00 0.00 H new ATOM 803 N CYS A 105 2.933 -7.716 -0.346 1.00 0.00 N ATOM 804 CA CYS A 105 3.928 -7.127 -1.259 1.00 0.00 C ATOM 805 C CYS A 105 5.048 -6.400 -0.448 1.00 0.00 C ATOM 806 O CYS A 105 6.230 -6.609 -0.699 1.00 0.00 O ATOM 807 CB CYS A 105 3.246 -6.136 -2.193 1.00 0.00 C ATOM 808 SG CYS A 105 2.241 -6.927 -3.439 1.00 0.00 S ATOM 0 H CYS A 105 1.984 -7.356 -0.451 1.00 0.00 H new ATOM 0 HA CYS A 105 4.381 -7.926 -1.845 1.00 0.00 H new ATOM 0 HB2 CYS A 105 2.622 -5.462 -1.606 1.00 0.00 H new ATOM 0 HB3 CYS A 105 4.005 -5.524 -2.681 1.00 0.00 H new ATOM 809 N PHE A 106 4.637 -5.640 0.567 1.00 0.00 N ATOM 810 CA PHE A 106 5.533 -4.762 1.331 1.00 0.00 C ATOM 811 C PHE A 106 6.296 -5.420 2.452 1.00 0.00 C ATOM 812 O PHE A 106 7.481 -5.105 2.593 1.00 0.00 O ATOM 813 CB PHE A 106 4.778 -3.500 1.689 1.00 0.00 C ATOM 814 CG PHE A 106 4.351 -2.650 0.434 1.00 0.00 C ATOM 815 CD1 PHE A 106 4.802 -2.796 -0.925 1.00 0.00 C ATOM 816 CD2 PHE A 106 3.358 -1.723 0.693 1.00 0.00 C ATOM 817 CE1 PHE A 106 4.281 -1.980 -1.926 1.00 0.00 C ATOM 818 CE2 PHE A 106 2.853 -0.895 -0.305 1.00 0.00 C ATOM 819 CZ PHE A 106 3.317 -1.024 -1.613 1.00 0.00 C ATOM 0 H PHE A 106 3.669 -5.614 0.887 1.00 0.00 H new ATOM 0 HA PHE A 106 6.371 -4.483 0.692 1.00 0.00 H new ATOM 0 HB2 PHE A 106 3.887 -3.767 2.258 1.00 0.00 H new ATOM 0 HB3 PHE A 106 5.400 -2.886 2.340 1.00 0.00 H new ATOM 0 HD1 PHE A 106 5.546 -3.540 -1.169 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.964 -1.640 1.695 1.00 0.00 H new ATOM 0 HE1 PHE A 106 4.624 -2.088 -2.944 1.00 0.00 H new ATOM 0 HE2 PHE A 106 2.104 -0.155 -0.067 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.927 -0.380 -2.387 1.00 0.00 H new ATOM 820 N SER A 107 5.708 -6.356 3.216 1.00 0.00 N ATOM 821 CA SER A 107 6.564 -7.138 4.153 1.00 0.00 C ATOM 822 C SER A 107 7.541 -8.170 3.532 1.00 0.00 C ATOM 823 O SER A 107 8.466 -8.610 4.222 1.00 0.00 O ATOM 824 CB SER A 107 5.792 -7.762 5.321 1.00 0.00 C ATOM 825 OG SER A 107 5.035 -8.911 4.973 1.00 0.00 O ATOM 0 H SER A 107 4.715 -6.587 3.217 1.00 0.00 H new ATOM 0 HA SER A 107 7.209 -6.348 4.538 1.00 0.00 H new ATOM 0 HB2 SER A 107 6.499 -8.031 6.106 1.00 0.00 H new ATOM 0 HB3 SER A 107 5.121 -7.012 5.740 1.00 0.00 H new ATOM 0 HG SER A 107 4.160 -8.634 4.630 1.00 0.00 H new ATOM 826 N LYS A 108 7.329 -8.537 2.259 1.00 0.00 N ATOM 827 CA LYS A 108 7.926 -9.735 1.683 1.00 0.00 C ATOM 828 C LYS A 108 8.401 -9.452 0.245 1.00 0.00 C ATOM 829 O LYS A 108 9.603 -9.221 0.131 1.00 0.00 O ATOM 830 CB LYS A 108 7.028 -10.991 1.858 1.00 0.00 C ATOM 831 CG LYS A 108 5.607 -10.860 2.446 1.00 0.00 C ATOM 832 CD LYS A 108 4.634 -11.961 2.023 1.00 0.00 C ATOM 833 CE LYS A 108 4.583 -12.441 0.569 1.00 0.00 C ATOM 834 NZ LYS A 108 3.483 -13.405 0.380 1.00 0.00 N ATOM 0 H LYS A 108 6.743 -8.011 1.611 1.00 0.00 H new ATOM 0 HA LYS A 108 8.823 -9.996 2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 108 6.929 -11.455 0.877 1.00 0.00 H new ATOM 0 HB3 LYS A 108 7.574 -11.692 2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.678 -10.856 3.534 1.00 0.00 H new ATOM 0 HG3 LYS A 108 5.194 -9.896 2.150 1.00 0.00 H new ATOM 0 HD2 LYS A 108 4.847 -12.833 2.642 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.632 -11.622 2.284 1.00 0.00 H new ATOM 0 HE2 LYS A 108 4.446 -11.589 -0.097 1.00 0.00 H new ATOM 0 HE3 LYS A 108 5.532 -12.906 0.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.421 -13.668 -0.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 3.665 -14.256 0.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.587 -12.972 0.681 1.00 0.00 H new ATOM 835 N ALA A 109 7.551 -9.505 -0.816 1.00 0.00 N ATOM 836 CA ALA A 109 7.999 -9.522 -2.243 1.00 0.00 C ATOM 837 C ALA A 109 9.373 -10.244 -2.568 1.00 0.00 C ATOM 838 O ALA A 109 9.968 -10.950 -1.750 1.00 0.00 O ATOM 839 CB ALA A 109 7.979 -8.092 -2.841 1.00 0.00 C ATOM 0 H ALA A 109 6.537 -9.537 -0.710 1.00 0.00 H new ATOM 0 HA ALA A 109 7.260 -10.160 -2.728 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.308 -8.127 -3.879 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.966 -7.693 -2.795 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.649 -7.449 -2.270 1.00 0.00 H new ATOM 840 N PRO A 110 9.881 -10.058 -3.790 1.00 0.00 N ATOM 841 CA PRO A 110 11.365 -10.181 -4.109 1.00 0.00 C ATOM 842 C PRO A 110 12.042 -8.814 -3.865 1.00 0.00 C ATOM 843 O PRO A 110 12.445 -8.043 -4.742 1.00 0.00 O ATOM 844 CB PRO A 110 11.338 -10.583 -5.592 1.00 0.00 C ATOM 845 CG PRO A 110 10.028 -11.380 -5.632 1.00 0.00 C ATOM 846 CD PRO A 110 9.055 -10.411 -4.955 1.00 0.00 C ATOM 0 HA PRO A 110 11.926 -10.894 -3.504 1.00 0.00 H new ATOM 0 HB2 PRO A 110 11.320 -9.719 -6.257 1.00 0.00 H new ATOM 0 HB3 PRO A 110 12.201 -11.186 -5.876 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.725 -11.619 -6.651 1.00 0.00 H new ATOM 0 HG3 PRO A 110 10.107 -12.324 -5.093 1.00 0.00 H new ATOM 0 HD2 PRO A 110 8.811 -9.551 -5.578 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.112 -10.882 -4.679 1.00 0.00 H new ATOM 847 N TYR A 111 12.098 -8.621 -2.560 1.00 0.00 N ATOM 848 CA TYR A 111 12.429 -7.325 -1.932 1.00 0.00 C ATOM 849 C TYR A 111 13.868 -6.780 -2.242 1.00 0.00 C ATOM 850 O TYR A 111 14.759 -7.593 -2.516 1.00 0.00 O ATOM 851 CB TYR A 111 12.519 -7.663 -0.372 1.00 0.00 C ATOM 852 CG TYR A 111 11.978 -6.560 0.503 1.00 0.00 C ATOM 853 CD1 TYR A 111 10.621 -6.394 0.392 1.00 0.00 C ATOM 854 CD2 TYR A 111 12.728 -5.636 1.272 1.00 0.00 C ATOM 855 CE1 TYR A 111 9.998 -5.288 0.932 1.00 0.00 C ATOM 856 CE2 TYR A 111 12.068 -4.587 1.918 1.00 0.00 C ATOM 857 CZ TYR A 111 10.702 -4.393 1.724 1.00 0.00 C ATOM 858 OH TYR A 111 10.144 -3.250 2.191 1.00 0.00 O ATOM 0 H TYR A 111 11.914 -9.362 -1.884 1.00 0.00 H new ATOM 0 HA TYR A 111 11.694 -6.598 -2.278 1.00 0.00 H new ATOM 0 HB2 TYR A 111 11.967 -8.581 -0.173 1.00 0.00 H new ATOM 0 HB3 TYR A 111 13.559 -7.853 -0.107 1.00 0.00 H new ATOM 0 HD1 TYR A 111 10.033 -7.138 -0.124 1.00 0.00 H new ATOM 0 HD2 TYR A 111 13.799 -5.741 1.358 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.950 -5.117 0.736 1.00 0.00 H new ATOM 0 HE2 TYR A 111 12.619 -3.925 2.570 1.00 0.00 H new ATOM 0 HH TYR A 111 9.202 -3.213 1.923 1.00 0.00 H new ATOM 859 N ASN A 112 14.120 -5.459 -2.117 1.00 0.00 N ATOM 860 CA ASN A 112 15.511 -4.936 -2.104 1.00 0.00 C ATOM 861 C ASN A 112 15.519 -3.626 -1.266 1.00 0.00 C ATOM 862 O ASN A 112 15.184 -2.539 -1.743 1.00 0.00 O ATOM 863 CB ASN A 112 16.138 -4.666 -3.489 1.00 0.00 C ATOM 864 CG ASN A 112 16.515 -5.889 -4.318 1.00 0.00 C ATOM 865 OD1 ASN A 112 15.721 -6.393 -5.111 1.00 0.00 O ATOM 866 ND2 ASN A 112 17.724 -6.401 -4.158 1.00 0.00 N ATOM 0 H ASN A 112 13.398 -4.745 -2.025 1.00 0.00 H new ATOM 0 HA ASN A 112 16.130 -5.721 -1.671 1.00 0.00 H new ATOM 0 HB2 ASN A 112 15.438 -4.064 -4.068 1.00 0.00 H new ATOM 0 HB3 ASN A 112 17.034 -4.062 -3.345 1.00 0.00 H new ATOM 0 HD21 ASN A 112 18.006 -7.221 -4.695 1.00 0.00 H new ATOM 0 HD22 ASN A 112 18.375 -5.975 -3.498 1.00 0.00 H new ATOM 867 N LYS A 113 16.017 -3.803 -0.038 1.00 0.00 N ATOM 868 CA LYS A 113 16.147 -2.784 1.027 1.00 0.00 C ATOM 869 C LYS A 113 17.440 -1.990 1.130 1.00 0.00 C ATOM 870 O LYS A 113 18.207 -1.944 2.093 1.00 0.00 O ATOM 871 CB LYS A 113 15.719 -3.484 2.301 1.00 0.00 C ATOM 872 CG LYS A 113 16.416 -4.780 2.738 1.00 0.00 C ATOM 873 CD LYS A 113 17.919 -4.813 2.967 1.00 0.00 C ATOM 874 CE LYS A 113 18.736 -5.213 1.729 1.00 0.00 C ATOM 875 NZ LYS A 113 20.181 -5.222 2.016 1.00 0.00 N ATOM 0 H LYS A 113 16.363 -4.714 0.265 1.00 0.00 H new ATOM 0 HA LYS A 113 15.504 -1.941 0.774 1.00 0.00 H new ATOM 0 HB2 LYS A 113 15.827 -2.768 3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 113 14.655 -3.704 2.208 1.00 0.00 H new ATOM 0 HG2 LYS A 113 15.943 -5.102 3.666 1.00 0.00 H new ATOM 0 HG3 LYS A 113 16.189 -5.536 1.986 1.00 0.00 H new ATOM 0 HD2 LYS A 113 18.246 -3.828 3.302 1.00 0.00 H new ATOM 0 HD3 LYS A 113 18.137 -5.513 3.774 1.00 0.00 H new ATOM 0 HE2 LYS A 113 18.425 -6.201 1.390 1.00 0.00 H new ATOM 0 HE3 LYS A 113 18.530 -4.518 0.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 20.703 -5.496 1.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 20.481 -4.272 2.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 20.380 -5.904 2.776 1.00 0.00 H new ATOM 876 N GLU A 114 17.624 -1.275 0.041 1.00 0.00 N ATOM 877 CA GLU A 114 18.946 -1.202 -0.583 1.00 0.00 C ATOM 878 C GLU A 114 18.963 0.149 -1.295 1.00 0.00 C ATOM 879 O GLU A 114 19.784 1.009 -0.969 1.00 0.00 O ATOM 880 CB GLU A 114 19.011 -2.595 -1.269 1.00 0.00 C ATOM 881 CG GLU A 114 19.571 -2.606 -2.640 1.00 0.00 C ATOM 882 CD GLU A 114 21.057 -2.445 -2.809 1.00 0.00 C ATOM 883 OE1 GLU A 114 21.723 -3.636 -2.679 1.00 0.00 O ATOM 884 OE2 GLU A 114 21.601 -1.365 -3.038 1.00 0.00 O ATOM 0 H GLU A 114 16.894 -0.741 -0.431 1.00 0.00 H new ATOM 0 HA GLU A 114 19.893 -1.133 -0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 114 19.609 -3.260 -0.646 1.00 0.00 H new ATOM 0 HB3 GLU A 114 18.004 -3.011 -1.303 1.00 0.00 H new ATOM 0 HG2 GLU A 114 19.284 -3.548 -3.108 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.085 -1.809 -3.203 1.00 0.00 H new ATOM 885 N HIS A 115 17.990 0.338 -2.215 1.00 0.00 N ATOM 886 CA HIS A 115 17.565 1.646 -2.701 1.00 0.00 C ATOM 887 C HIS A 115 16.311 2.074 -1.875 1.00 0.00 C ATOM 888 O HIS A 115 15.140 2.012 -2.240 1.00 0.00 O ATOM 889 CB HIS A 115 17.472 1.630 -4.235 1.00 0.00 C ATOM 890 CG HIS A 115 16.342 0.866 -4.936 1.00 0.00 C ATOM 891 ND1 HIS A 115 14.998 1.182 -4.819 1.00 0.00 N ATOM 892 CD2 HIS A 115 16.474 -0.524 -4.960 1.00 0.00 C ATOM 893 CE1 HIS A 115 14.521 -0.066 -4.473 1.00 0.00 C ATOM 894 NE2 HIS A 115 15.282 -1.170 -4.741 1.00 0.00 N ATOM 0 H HIS A 115 17.477 -0.435 -2.640 1.00 0.00 H new ATOM 0 HA HIS A 115 18.287 2.444 -2.530 1.00 0.00 H new ATOM 0 HB2 HIS A 115 17.413 2.667 -4.565 1.00 0.00 H new ATOM 0 HB3 HIS A 115 18.413 1.229 -4.611 1.00 0.00 H new ATOM 0 HD2 HIS A 115 17.410 -1.035 -5.132 1.00 0.00 H new ATOM 0 HE1 HIS A 115 13.558 -0.169 -3.996 1.00 0.00 H new ATOM 0 HE2 HIS A 115 15.041 -2.161 -4.769 1.00 0.00 H new ATOM 895 N LYS A 116 16.556 2.445 -0.645 1.00 0.00 N ATOM 896 CA LYS A 116 15.737 3.306 0.163 1.00 0.00 C ATOM 897 C LYS A 116 16.390 4.678 -0.079 1.00 0.00 C ATOM 898 O LYS A 116 17.615 4.811 -0.264 1.00 0.00 O ATOM 899 CB LYS A 116 16.049 2.680 1.546 1.00 0.00 C ATOM 900 CG LYS A 116 15.843 3.694 2.649 1.00 0.00 C ATOM 901 CD LYS A 116 14.589 3.419 3.423 1.00 0.00 C ATOM 902 CE LYS A 116 14.345 4.616 4.351 1.00 0.00 C ATOM 903 NZ LYS A 116 13.494 4.325 5.512 1.00 0.00 N ATOM 0 H LYS A 116 17.390 2.131 -0.149 1.00 0.00 H new ATOM 0 HA LYS A 116 14.663 3.406 0.008 1.00 0.00 H new ATOM 0 HB2 LYS A 116 15.405 1.817 1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 116 17.077 2.319 1.564 1.00 0.00 H new ATOM 0 HG2 LYS A 116 16.699 3.678 3.324 1.00 0.00 H new ATOM 0 HG3 LYS A 116 15.794 4.695 2.220 1.00 0.00 H new ATOM 0 HD2 LYS A 116 13.745 3.280 2.748 1.00 0.00 H new ATOM 0 HD3 LYS A 116 14.689 2.500 4.001 1.00 0.00 H new ATOM 0 HE2 LYS A 116 15.307 4.986 4.706 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.887 5.419 3.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.794 5.085 5.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 13.002 3.421 5.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 14.083 4.263 6.367 1.00 0.00 H new ATOM 904 N ASN A 117 15.567 5.726 0.131 1.00 0.00 N ATOM 905 CA ASN A 117 16.108 7.076 0.464 1.00 0.00 C ATOM 906 C ASN A 117 16.434 7.878 -0.805 1.00 0.00 C ATOM 907 O ASN A 117 16.011 9.031 -0.913 1.00 0.00 O ATOM 908 CB ASN A 117 17.242 6.969 1.536 1.00 0.00 C ATOM 909 CG ASN A 117 17.248 8.060 2.585 1.00 0.00 C ATOM 910 OD1 ASN A 117 17.767 9.154 2.365 1.00 0.00 O ATOM 911 ND2 ASN A 117 16.672 7.800 3.747 1.00 0.00 N ATOM 0 H ASN A 117 14.550 5.676 0.080 1.00 0.00 H new ATOM 0 HA ASN A 117 15.341 7.679 0.950 1.00 0.00 H new ATOM 0 HB2 ASN A 117 17.154 6.006 2.038 1.00 0.00 H new ATOM 0 HB3 ASN A 117 18.204 6.975 1.024 1.00 0.00 H new ATOM 0 HD21 ASN A 117 16.653 8.512 4.477 1.00 0.00 H new ATOM 0 HD22 ASN A 117 16.247 6.888 3.913 1.00 0.00 H new ATOM 912 N LEU A 118 17.151 7.190 -1.746 1.00 0.00 N ATOM 913 CA LEU A 118 17.277 7.631 -3.169 1.00 0.00 C ATOM 914 C LEU A 118 17.621 9.109 -3.319 1.00 0.00 C ATOM 915 O LEU A 118 18.550 9.621 -2.684 1.00 0.00 O ATOM 916 CB LEU A 118 16.157 6.923 -3.947 1.00 0.00 C ATOM 917 CG LEU A 118 16.447 5.379 -4.096 1.00 0.00 C ATOM 918 CD1 LEU A 118 15.153 4.679 -3.777 1.00 0.00 C ATOM 919 CD2 LEU A 118 16.697 4.858 -5.505 1.00 0.00 C ATOM 0 H LEU A 118 17.651 6.325 -1.541 1.00 0.00 H new ATOM 0 HA LEU A 118 18.173 7.306 -3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 118 15.207 7.068 -3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 118 16.057 7.373 -4.935 1.00 0.00 H new ATOM 0 HG LEU A 118 17.327 5.207 -3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 118 15.291 3.601 -3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 118 14.847 4.925 -2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 118 14.382 5.003 -4.476 1.00 0.00 H new ATOM 0 HD21 LEU A 118 16.883 3.785 -5.468 1.00 0.00 H new ATOM 0 HD22 LEU A 118 15.823 5.054 -6.126 1.00 0.00 H new ATOM 0 HD23 LEU A 118 17.565 5.362 -5.931 1.00 0.00 H new ATOM 920 N ASP A 119 16.912 9.747 -4.230 1.00 0.00 N ATOM 921 CA ASP A 119 17.356 10.998 -4.889 1.00 0.00 C ATOM 922 C ASP A 119 16.168 11.652 -5.621 1.00 0.00 C ATOM 923 O ASP A 119 15.913 12.846 -5.444 1.00 0.00 O ATOM 924 CB ASP A 119 18.588 10.642 -5.728 1.00 0.00 C ATOM 925 CG ASP A 119 19.670 11.676 -5.903 1.00 0.00 C ATOM 926 OD1 ASP A 119 19.606 12.830 -5.477 1.00 0.00 O ATOM 927 OD2 ASP A 119 20.741 11.172 -6.596 1.00 0.00 O ATOM 0 H ASP A 119 15.999 9.422 -4.549 1.00 0.00 H new ATOM 0 HA ASP A 119 17.675 11.778 -4.198 1.00 0.00 H new ATOM 0 HB2 ASP A 119 19.045 9.758 -5.284 1.00 0.00 H new ATOM 0 HB3 ASP A 119 18.240 10.357 -6.721 1.00 0.00 H new ATOM 928 N THR A 120 15.413 10.832 -6.363 1.00 0.00 N ATOM 929 CA THR A 120 13.972 11.040 -6.647 1.00 0.00 C ATOM 930 C THR A 120 13.760 11.716 -7.995 1.00 0.00 C ATOM 931 O THR A 120 12.962 12.648 -8.127 1.00 0.00 O ATOM 932 CB THR A 120 13.107 11.426 -5.406 1.00 0.00 C ATOM 933 OG1 THR A 120 13.183 12.803 -5.056 1.00 0.00 O ATOM 934 CG2 THR A 120 13.505 10.535 -4.199 1.00 0.00 C ATOM 0 H THR A 120 15.786 9.987 -6.795 1.00 0.00 H new ATOM 0 HA THR A 120 13.487 10.080 -6.823 1.00 0.00 H new ATOM 0 HB THR A 120 12.067 11.250 -5.681 1.00 0.00 H new ATOM 0 HG1 THR A 120 14.112 13.108 -5.127 1.00 0.00 H new ATOM 0 HG21 THR A 120 12.901 10.805 -3.333 1.00 0.00 H new ATOM 0 HG22 THR A 120 13.335 9.488 -4.448 1.00 0.00 H new ATOM 0 HG23 THR A 120 14.559 10.686 -3.967 1.00 0.00 H new ATOM 935 N LYS A 121 14.528 11.234 -9.011 1.00 0.00 N ATOM 936 CA LYS A 121 14.556 11.850 -10.372 1.00 0.00 C ATOM 937 C LYS A 121 15.017 10.752 -11.397 1.00 0.00 C ATOM 938 O LYS A 121 14.314 10.417 -12.351 1.00 0.00 O ATOM 939 CB LYS A 121 15.469 13.082 -10.493 1.00 0.00 C ATOM 940 CG LYS A 121 15.697 13.964 -9.258 1.00 0.00 C ATOM 941 CD LYS A 121 17.189 14.208 -9.001 1.00 0.00 C ATOM 942 CE LYS A 121 17.922 12.896 -8.613 1.00 0.00 C ATOM 943 NZ LYS A 121 19.372 13.076 -8.792 1.00 0.00 N ATOM 0 H LYS A 121 15.136 10.421 -8.915 1.00 0.00 H new ATOM 0 HA LYS A 121 13.549 12.210 -10.581 1.00 0.00 H new ATOM 0 HB2 LYS A 121 16.445 12.736 -10.835 1.00 0.00 H new ATOM 0 HB3 LYS A 121 15.062 13.717 -11.280 1.00 0.00 H new ATOM 0 HG2 LYS A 121 15.191 14.919 -9.395 1.00 0.00 H new ATOM 0 HG3 LYS A 121 15.250 13.489 -8.384 1.00 0.00 H new ATOM 0 HD2 LYS A 121 17.648 14.632 -9.894 1.00 0.00 H new ATOM 0 HD3 LYS A 121 17.307 14.941 -8.203 1.00 0.00 H new ATOM 0 HE2 LYS A 121 17.702 12.636 -7.578 1.00 0.00 H new ATOM 0 HE3 LYS A 121 17.567 12.072 -9.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 19.865 12.198 -8.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 19.573 13.305 -9.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 19.703 13.852 -8.184 1.00 0.00 H new ATOM 944 N LYS A 122 16.181 10.176 -11.066 1.00 0.00 N ATOM 945 CA LYS A 122 16.609 8.838 -11.459 1.00 0.00 C ATOM 946 C LYS A 122 15.571 7.704 -10.997 1.00 0.00 C ATOM 947 O LYS A 122 15.187 6.802 -11.738 1.00 0.00 O ATOM 948 CB LYS A 122 17.834 8.708 -10.458 1.00 0.00 C ATOM 949 CG LYS A 122 19.132 9.245 -10.941 1.00 0.00 C ATOM 950 CD LYS A 122 20.302 9.087 -9.969 1.00 0.00 C ATOM 951 CE LYS A 122 21.311 10.177 -10.314 1.00 0.00 C ATOM 952 NZ LYS A 122 22.552 10.101 -9.525 1.00 0.00 N ATOM 0 H LYS A 122 16.875 10.655 -10.493 1.00 0.00 H new ATOM 0 HA LYS A 122 16.761 8.722 -12.532 1.00 0.00 H new ATOM 0 HB2 LYS A 122 17.575 9.219 -9.531 1.00 0.00 H new ATOM 0 HB3 LYS A 122 17.968 7.654 -10.215 1.00 0.00 H new ATOM 0 HG2 LYS A 122 19.388 8.748 -11.877 1.00 0.00 H new ATOM 0 HG3 LYS A 122 19.008 10.304 -11.167 1.00 0.00 H new ATOM 0 HD2 LYS A 122 19.964 9.186 -8.938 1.00 0.00 H new ATOM 0 HD3 LYS A 122 20.753 8.099 -10.064 1.00 0.00 H new ATOM 0 HE2 LYS A 122 21.559 10.109 -11.373 1.00 0.00 H new ATOM 0 HE3 LYS A 122 20.849 11.152 -10.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 23.192 10.870 -9.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 22.327 10.195 -8.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 23.015 9.185 -9.693 1.00 0.00 H new ATOM 953 N TYR A 123 15.188 7.903 -9.737 1.00 0.00 N ATOM 954 CA TYR A 123 14.428 7.058 -8.827 1.00 0.00 C ATOM 955 C TYR A 123 12.944 7.464 -8.802 1.00 0.00 C ATOM 956 O TYR A 123 12.090 6.585 -8.931 1.00 0.00 O ATOM 957 CB TYR A 123 15.331 7.392 -7.612 1.00 0.00 C ATOM 958 CG TYR A 123 16.832 6.890 -7.695 1.00 0.00 C ATOM 959 CD1 TYR A 123 17.279 5.857 -8.541 1.00 0.00 C ATOM 960 CD2 TYR A 123 17.777 7.571 -6.952 1.00 0.00 C ATOM 961 CE1 TYR A 123 18.639 5.660 -8.740 1.00 0.00 C ATOM 962 CE2 TYR A 123 19.138 7.358 -7.132 1.00 0.00 C ATOM 963 CZ TYR A 123 19.578 6.387 -8.022 1.00 0.00 C ATOM 964 OH TYR A 123 20.907 6.257 -8.298 1.00 0.00 O ATOM 0 H TYR A 123 15.439 8.777 -9.274 1.00 0.00 H new ATOM 0 HA TYR A 123 14.287 5.992 -9.003 1.00 0.00 H new ATOM 0 HB2 TYR A 123 15.339 8.474 -7.478 1.00 0.00 H new ATOM 0 HB3 TYR A 123 14.876 6.964 -6.719 1.00 0.00 H new ATOM 0 HD1 TYR A 123 16.563 5.217 -9.036 1.00 0.00 H new ATOM 0 HD2 TYR A 123 17.449 8.287 -6.213 1.00 0.00 H new ATOM 0 HE1 TYR A 123 18.971 4.930 -9.464 1.00 0.00 H new ATOM 0 HE2 TYR A 123 19.854 7.948 -6.579 1.00 0.00 H new ATOM 0 HH TYR A 123 21.423 6.839 -7.702 1.00 0.00 H new ATOM 965 N CYS A 124 12.648 8.787 -8.706 1.00 0.00 N ATOM 966 CA CYS A 124 11.333 9.392 -8.952 1.00 0.00 C ATOM 967 C CYS A 124 11.332 10.072 -10.336 1.00 0.00 C ATOM 968 O CYS A 124 11.500 9.445 -11.382 1.00 0.00 O ATOM 969 CB CYS A 124 10.680 10.179 -7.817 1.00 0.00 C ATOM 970 SG CYS A 124 10.698 9.242 -6.294 1.00 0.00 S ATOM 971 OXT CYS A 124 11.112 11.428 -10.290 1.00 0.00 O ATOM 0 H CYS A 124 13.352 9.478 -8.445 1.00 0.00 H new ATOM 0 HA CYS A 124 10.623 8.565 -8.972 1.00 0.00 H new ATOM 0 HB2 CYS A 124 11.207 11.122 -7.674 1.00 0.00 H new ATOM 0 HB3 CYS A 124 9.652 10.425 -8.085 1.00 0.00 H new