USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 842 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 29 HIS HD1 : A 29 HIS ND1 : A 123 ZNZN :(H bumps) USER MOD Set 1.1: A 110 ASN : amide:sc= -0.147 X(o=-0.15,f=0) USER MOD Set 1.2: A 111 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 68 ASN : amide:sc= 0.828 K(o=2,f=0.57) USER MOD Set 2.2: A 69 SER OG : rot -75:sc= 1.18 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0743 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0498 USER MOD Single : A 4 SER OG : rot 180:sc= 0.152 USER MOD Single : A 6 LYS NZ :NH3+ -157:sc= 2.34 (180deg=1.9) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -18:sc= -0.507 USER MOD Single : A 24 MET CE :methyl -153:sc= -0.0858 (180deg=-0.534) USER MOD Single : A 26 SER OG : rot 71:sc= 0.0225 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0.163 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -90:sc= 0.706 USER MOD Single : A 37 SER OG : rot 124:sc= 0.724 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -4.91! C(o=-4.9!,f=-9.8!) USER MOD Single : A 47 THR OG1 : rot 79:sc= 1.26 USER MOD Single : A 48 SER OG : rot 5:sc= 1.03 USER MOD Single : A 49 SER OG : rot -178:sc= -3.84! USER MOD Single : A 50 TYR OH : rot -53:sc= 1.89 USER MOD Single : A 51 THR OG1 : rot 97:sc= 1.03 USER MOD Single : A 52 LYS NZ :NH3+ 165:sc= 1.23 (180deg=1.16) USER MOD Single : A 53 SER OG : rot 118:sc= 0.162 USER MOD Single : A 55 MET CE :methyl -170:sc= -1.12 (180deg=-1.18) USER MOD Single : A 60 ASN : amide:sc= -0.0428 K(o=-0.043,f=-1.6!) USER MOD Single : A 62 TYR OH : rot -130:sc= -0.831 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.0552 X(o=-0.055,f=-0.23) USER MOD Single : A 78 MET CE :methyl 162:sc=-0.00378 (180deg=-0.338) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -158:sc= -0.678 (180deg=-2.88!) USER MOD Single : A 91 THR OG1 : rot 62:sc= 1.31 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 82:sc= 0.0224 USER MOD Single : A 112 GLN : amide:sc= 0.663 K(o=0.66,f=-4!) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.770 10.065 -5.463 1.00 0.00 N ATOM 2 CA GLY A 1 -21.546 9.953 -4.002 1.00 0.00 C ATOM 3 C GLY A 1 -20.284 9.185 -3.687 1.00 0.00 C ATOM 4 O GLY A 1 -19.762 8.473 -4.543 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.689 11.061 -5.751 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.058 9.499 -5.968 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.720 9.713 -5.696 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.483 10.950 -3.566 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.399 9.456 -3.540 1.00 0.00 H new ATOM 10 N SER A 2 -19.792 9.320 -2.461 1.00 0.00 N ATOM 11 CA SER A 2 -18.584 8.623 -2.038 1.00 0.00 C ATOM 12 C SER A 2 -18.867 7.134 -1.833 1.00 0.00 C ATOM 13 O SER A 2 -19.106 6.677 -0.711 1.00 0.00 O ATOM 14 CB SER A 2 -18.052 9.255 -0.753 1.00 0.00 C ATOM 15 OG SER A 2 -18.578 10.562 -0.580 1.00 0.00 O ATOM 0 H SER A 2 -20.213 9.907 -1.741 1.00 0.00 H new ATOM 0 HA SER A 2 -17.827 8.716 -2.817 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.320 8.634 0.102 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.963 9.298 -0.787 1.00 0.00 H new ATOM 0 HG SER A 2 -18.227 10.949 0.249 1.00 0.00 H new ATOM 21 N LEU A 3 -18.900 6.396 -2.936 1.00 0.00 N ATOM 22 CA LEU A 3 -19.219 4.974 -2.912 1.00 0.00 C ATOM 23 C LEU A 3 -17.956 4.144 -2.749 1.00 0.00 C ATOM 24 O LEU A 3 -17.991 2.917 -2.823 1.00 0.00 O ATOM 25 CB LEU A 3 -19.943 4.573 -4.199 1.00 0.00 C ATOM 26 CG LEU A 3 -21.468 4.621 -4.132 1.00 0.00 C ATOM 27 CD1 LEU A 3 -22.066 4.389 -5.510 1.00 0.00 C ATOM 28 CD2 LEU A 3 -21.986 3.588 -3.146 1.00 0.00 C ATOM 0 H LEU A 3 -18.707 6.764 -3.868 1.00 0.00 H new ATOM 0 HA LEU A 3 -19.873 4.784 -2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -19.610 5.229 -5.003 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -19.639 3.561 -4.467 1.00 0.00 H new ATOM 0 HG LEU A 3 -21.770 5.610 -3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -23.153 4.426 -5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -21.716 5.163 -6.193 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -21.758 3.411 -5.881 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -23.074 3.634 -3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -21.676 2.593 -3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -21.580 3.795 -2.156 1.00 0.00 H new ATOM 40 N SER A 4 -16.844 4.823 -2.538 1.00 0.00 N ATOM 41 CA SER A 4 -15.566 4.171 -2.354 1.00 0.00 C ATOM 42 C SER A 4 -15.526 3.432 -1.021 1.00 0.00 C ATOM 43 O SER A 4 -15.218 4.019 0.019 1.00 0.00 O ATOM 44 CB SER A 4 -14.457 5.217 -2.413 1.00 0.00 C ATOM 45 OG SER A 4 -14.956 6.441 -2.930 1.00 0.00 O ATOM 0 H SER A 4 -16.804 5.841 -2.490 1.00 0.00 H new ATOM 0 HA SER A 4 -15.420 3.440 -3.149 1.00 0.00 H new ATOM 0 HB2 SER A 4 -14.046 5.377 -1.416 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.641 4.856 -3.040 1.00 0.00 H new ATOM 0 HG SER A 4 -14.233 7.102 -2.960 1.00 0.00 H new ATOM 51 N TRP A 5 -15.852 2.150 -1.047 1.00 0.00 N ATOM 52 CA TRP A 5 -15.826 1.345 0.160 1.00 0.00 C ATOM 53 C TRP A 5 -14.392 0.926 0.461 1.00 0.00 C ATOM 54 O TRP A 5 -13.935 1.081 1.590 1.00 0.00 O ATOM 55 CB TRP A 5 -16.755 0.125 0.029 1.00 0.00 C ATOM 56 CG TRP A 5 -16.266 -0.929 -0.921 1.00 0.00 C ATOM 57 CD1 TRP A 5 -16.385 -0.931 -2.281 1.00 0.00 C ATOM 58 CD2 TRP A 5 -15.590 -2.142 -0.576 1.00 0.00 C ATOM 59 NE1 TRP A 5 -15.805 -2.061 -2.802 1.00 0.00 N ATOM 60 CE2 TRP A 5 -15.316 -2.824 -1.775 1.00 0.00 C ATOM 61 CE3 TRP A 5 -15.186 -2.719 0.632 1.00 0.00 C ATOM 62 CZ2 TRP A 5 -14.654 -4.046 -1.801 1.00 0.00 C ATOM 63 CZ3 TRP A 5 -14.530 -3.933 0.603 1.00 0.00 C ATOM 64 CH2 TRP A 5 -14.271 -4.587 -0.606 1.00 0.00 C ATOM 0 H TRP A 5 -16.136 1.647 -1.888 1.00 0.00 H new ATOM 0 HA TRP A 5 -16.197 1.940 0.995 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -16.886 -0.324 1.014 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -17.737 0.465 -0.300 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -16.865 -0.157 -2.862 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -15.748 -2.295 -3.793 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -15.384 -2.223 1.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -14.449 -4.551 -2.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -14.211 -4.386 1.530 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -13.759 -5.538 -0.595 1.00 0.00 H new ATOM 75 N LYS A 6 -13.667 0.562 -0.613 1.00 0.00 N ATOM 76 CA LYS A 6 -12.235 0.202 -0.605 1.00 0.00 C ATOM 77 C LYS A 6 -11.844 -0.828 0.468 1.00 0.00 C ATOM 78 O LYS A 6 -12.298 -0.799 1.609 1.00 0.00 O ATOM 79 CB LYS A 6 -11.335 1.452 -0.544 1.00 0.00 C ATOM 80 CG LYS A 6 -11.401 2.239 0.752 1.00 0.00 C ATOM 81 CD LYS A 6 -11.909 3.649 0.511 1.00 0.00 C ATOM 82 CE LYS A 6 -12.347 4.316 1.805 1.00 0.00 C ATOM 83 NZ LYS A 6 -13.697 3.863 2.233 1.00 0.00 N ATOM 0 H LYS A 6 -14.077 0.508 -1.545 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.064 -0.299 -1.558 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.303 1.144 -0.710 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.606 2.115 -1.366 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.057 1.729 1.458 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.412 2.279 1.208 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.125 4.243 0.042 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.747 3.620 -0.186 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.624 4.095 2.590 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.352 5.398 1.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.122 4.579 2.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.300 3.730 1.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.614 2.963 2.747 1.00 0.00 H new ATOM 97 N ARG A 7 -10.969 -1.744 0.085 1.00 0.00 N ATOM 98 CA ARG A 7 -10.495 -2.772 0.999 1.00 0.00 C ATOM 99 C ARG A 7 -8.984 -2.666 1.185 1.00 0.00 C ATOM 100 O ARG A 7 -8.257 -2.331 0.250 1.00 0.00 O ATOM 101 CB ARG A 7 -10.886 -4.165 0.494 1.00 0.00 C ATOM 102 CG ARG A 7 -9.949 -4.736 -0.562 1.00 0.00 C ATOM 103 CD ARG A 7 -9.554 -6.172 -0.251 1.00 0.00 C ATOM 104 NE ARG A 7 -9.736 -6.511 1.163 1.00 0.00 N ATOM 105 CZ ARG A 7 -9.143 -7.542 1.761 1.00 0.00 C ATOM 106 NH1 ARG A 7 -8.260 -8.281 1.100 1.00 0.00 N ATOM 107 NH2 ARG A 7 -9.421 -7.829 3.025 1.00 0.00 N ATOM 0 H ARG A 7 -10.572 -1.797 -0.853 1.00 0.00 H new ATOM 0 HA ARG A 7 -10.969 -2.618 1.968 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -10.919 -4.850 1.342 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -11.894 -4.119 0.082 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -10.433 -4.696 -1.538 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -9.053 -4.118 -0.625 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -10.149 -6.850 -0.863 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -8.511 -6.326 -0.527 1.00 0.00 H new ATOM 0 HE ARG A 7 -10.353 -5.922 1.722 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -8.034 -8.060 0.130 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -7.808 -9.070 1.562 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -10.091 -7.259 3.542 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.965 -8.620 3.481 1.00 0.00 H new ATOM 121 N CYS A 8 -8.542 -2.853 2.418 1.00 0.00 N ATOM 122 CA CYS A 8 -7.151 -2.669 2.779 1.00 0.00 C ATOM 123 C CYS A 8 -6.328 -3.929 2.536 1.00 0.00 C ATOM 124 O CYS A 8 -6.709 -5.033 2.938 1.00 0.00 O ATOM 125 CB CYS A 8 -7.070 -2.262 4.248 1.00 0.00 C ATOM 126 SG CYS A 8 -5.384 -2.020 4.894 1.00 0.00 S ATOM 0 H CYS A 8 -9.139 -3.137 3.195 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.732 -1.886 2.147 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.630 -1.337 4.383 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.566 -3.025 4.848 1.00 0.00 H new ATOM 131 N ALA A 9 -5.154 -3.730 1.966 1.00 0.00 N ATOM 132 CA ALA A 9 -4.201 -4.802 1.759 1.00 0.00 C ATOM 133 C ALA A 9 -3.087 -4.713 2.794 1.00 0.00 C ATOM 134 O ALA A 9 -2.141 -5.504 2.781 1.00 0.00 O ATOM 135 CB ALA A 9 -3.629 -4.735 0.355 1.00 0.00 C ATOM 0 H ALA A 9 -4.835 -2.820 1.634 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.712 -5.758 1.876 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.915 -5.546 0.214 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.436 -4.831 -0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.125 -3.779 0.213 1.00 0.00 H new ATOM 141 N GLY A 10 -3.218 -3.755 3.702 1.00 0.00 N ATOM 142 CA GLY A 10 -2.231 -3.572 4.743 1.00 0.00 C ATOM 143 C GLY A 10 -2.457 -4.504 5.909 1.00 0.00 C ATOM 144 O GLY A 10 -1.540 -5.215 6.331 1.00 0.00 O ATOM 0 H GLY A 10 -3.997 -3.098 3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.236 -3.741 4.332 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.261 -2.540 5.093 1.00 0.00 H new ATOM 148 N CYS A 11 -3.696 -4.570 6.376 1.00 0.00 N ATOM 149 CA CYS A 11 -4.047 -5.497 7.434 1.00 0.00 C ATOM 150 C CYS A 11 -4.791 -6.690 6.847 1.00 0.00 C ATOM 151 O CYS A 11 -4.180 -7.682 6.447 1.00 0.00 O ATOM 152 CB CYS A 11 -4.879 -4.800 8.523 1.00 0.00 C ATOM 153 SG CYS A 11 -6.343 -3.893 7.920 1.00 0.00 S ATOM 0 H CYS A 11 -4.468 -3.995 6.039 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.133 -5.857 7.906 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.207 -5.550 9.243 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.235 -4.103 9.060 1.00 0.00 H new ATOM 158 N GLY A 12 -6.101 -6.557 6.722 1.00 0.00 N ATOM 159 CA GLY A 12 -6.893 -7.611 6.131 1.00 0.00 C ATOM 160 C GLY A 12 -8.379 -7.413 6.323 1.00 0.00 C ATOM 161 O GLY A 12 -9.060 -8.295 6.841 1.00 0.00 O ATOM 0 H GLY A 12 -6.630 -5.737 7.020 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.675 -7.667 5.065 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.600 -8.566 6.567 1.00 0.00 H new ATOM 165 N GLY A 13 -8.897 -6.283 5.864 1.00 0.00 N ATOM 166 CA GLY A 13 -10.309 -6.038 5.944 1.00 0.00 C ATOM 167 C GLY A 13 -10.727 -4.933 5.008 1.00 0.00 C ATOM 168 O GLY A 13 -10.096 -4.705 3.975 1.00 0.00 O ATOM 0 H GLY A 13 -8.355 -5.532 5.437 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.853 -6.950 5.699 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.577 -5.772 6.967 1.00 0.00 H new ATOM 172 N LYS A 14 -11.762 -4.233 5.395 1.00 0.00 N ATOM 173 CA LYS A 14 -12.270 -3.103 4.631 1.00 0.00 C ATOM 174 C LYS A 14 -11.806 -1.798 5.256 1.00 0.00 C ATOM 175 O LYS A 14 -11.533 -1.738 6.458 1.00 0.00 O ATOM 176 CB LYS A 14 -13.798 -3.128 4.576 1.00 0.00 C ATOM 177 CG LYS A 14 -14.374 -4.444 4.086 1.00 0.00 C ATOM 178 CD LYS A 14 -15.868 -4.520 4.342 1.00 0.00 C ATOM 179 CE LYS A 14 -16.205 -5.593 5.363 1.00 0.00 C ATOM 180 NZ LYS A 14 -16.604 -5.016 6.673 1.00 0.00 N ATOM 0 H LYS A 14 -12.284 -4.424 6.250 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.881 -3.178 3.616 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.191 -2.919 5.571 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.141 -2.326 3.922 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.179 -4.554 3.019 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.874 -5.272 4.588 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.227 -3.554 4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -16.388 -4.730 3.407 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -17.014 -6.215 4.980 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.342 -6.244 5.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.825 -5.784 7.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.823 -4.443 7.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.444 -4.416 6.547 1.00 0.00 H new ATOM 194 N ILE A 15 -11.763 -0.747 4.458 1.00 0.00 N ATOM 195 CA ILE A 15 -11.397 0.562 4.961 1.00 0.00 C ATOM 196 C ILE A 15 -12.639 1.413 5.183 1.00 0.00 C ATOM 197 O ILE A 15 -13.085 2.127 4.285 1.00 0.00 O ATOM 198 CB ILE A 15 -10.440 1.300 4.009 1.00 0.00 C ATOM 199 CG1 ILE A 15 -9.599 0.297 3.210 1.00 0.00 C ATOM 200 CG2 ILE A 15 -9.552 2.248 4.799 1.00 0.00 C ATOM 201 CD1 ILE A 15 -8.471 0.930 2.427 1.00 0.00 C ATOM 0 H ILE A 15 -11.977 -0.775 3.461 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.881 0.405 5.908 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.026 1.886 3.300 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.183 -0.441 3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.250 -0.240 2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.877 2.767 4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -10.172 2.977 5.321 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.969 1.681 5.525 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.923 0.157 1.889 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.880 1.647 1.715 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.796 1.443 3.112 1.00 0.00 H new ATOM 212 N ALA A 16 -13.150 1.382 6.402 1.00 0.00 N ATOM 213 CA ALA A 16 -14.308 2.186 6.769 1.00 0.00 C ATOM 214 C ALA A 16 -13.857 3.517 7.352 1.00 0.00 C ATOM 215 O ALA A 16 -14.526 4.103 8.205 1.00 0.00 O ATOM 216 CB ALA A 16 -15.180 1.432 7.764 1.00 0.00 C ATOM 0 H ALA A 16 -12.781 0.807 7.159 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.899 2.382 5.875 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.042 2.044 8.030 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.522 0.500 7.315 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.601 1.211 8.661 1.00 0.00 H new ATOM 222 N ASP A 17 -12.683 3.952 6.927 1.00 0.00 N ATOM 223 CA ASP A 17 -12.082 5.173 7.432 1.00 0.00 C ATOM 224 C ASP A 17 -12.408 6.349 6.524 1.00 0.00 C ATOM 225 O ASP A 17 -12.601 6.180 5.319 1.00 0.00 O ATOM 226 CB ASP A 17 -10.567 5.004 7.539 1.00 0.00 C ATOM 227 CG ASP A 17 -10.133 4.469 8.889 1.00 0.00 C ATOM 228 OD1 ASP A 17 -10.361 3.272 9.165 1.00 0.00 O ATOM 229 OD2 ASP A 17 -9.554 5.244 9.680 1.00 0.00 O ATOM 0 H ASP A 17 -12.122 3.470 6.225 1.00 0.00 H new ATOM 0 HA ASP A 17 -12.493 5.375 8.421 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.225 4.326 6.757 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.085 5.965 7.361 1.00 0.00 H new ATOM 234 N ARG A 18 -12.409 7.539 7.100 1.00 0.00 N ATOM 235 CA ARG A 18 -12.635 8.765 6.348 1.00 0.00 C ATOM 236 C ARG A 18 -11.377 9.128 5.570 1.00 0.00 C ATOM 237 O ARG A 18 -11.420 9.858 4.575 1.00 0.00 O ATOM 238 CB ARG A 18 -13.002 9.901 7.307 1.00 0.00 C ATOM 239 CG ARG A 18 -13.594 11.116 6.620 1.00 0.00 C ATOM 240 CD ARG A 18 -15.110 11.079 6.652 1.00 0.00 C ATOM 241 NE ARG A 18 -15.689 12.410 6.800 1.00 0.00 N ATOM 242 CZ ARG A 18 -16.954 12.711 6.505 1.00 0.00 C ATOM 243 NH1 ARG A 18 -17.767 11.781 6.020 1.00 0.00 N ATOM 244 NH2 ARG A 18 -17.396 13.948 6.687 1.00 0.00 N ATOM 0 H ARG A 18 -12.254 7.684 8.098 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.456 8.612 5.648 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.715 9.527 8.042 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.110 10.204 7.855 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.239 12.023 7.110 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.250 11.156 5.586 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.480 10.623 5.734 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.439 10.447 7.477 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.089 13.156 7.151 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -17.425 10.832 5.872 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -18.734 12.016 5.796 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.769 14.665 7.051 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -18.363 14.182 6.463 1.00 0.00 H new ATOM 258 N PHE A 19 -10.255 8.620 6.056 1.00 0.00 N ATOM 259 CA PHE A 19 -8.957 8.875 5.456 1.00 0.00 C ATOM 260 C PHE A 19 -8.261 7.556 5.159 1.00 0.00 C ATOM 261 O PHE A 19 -8.169 6.691 6.028 1.00 0.00 O ATOM 262 CB PHE A 19 -8.106 9.714 6.412 1.00 0.00 C ATOM 263 CG PHE A 19 -8.825 10.913 6.955 1.00 0.00 C ATOM 264 CD1 PHE A 19 -8.984 12.051 6.185 1.00 0.00 C ATOM 265 CD2 PHE A 19 -9.358 10.891 8.234 1.00 0.00 C ATOM 266 CE1 PHE A 19 -9.660 13.147 6.680 1.00 0.00 C ATOM 267 CE2 PHE A 19 -10.038 11.983 8.732 1.00 0.00 C ATOM 268 CZ PHE A 19 -10.189 13.113 7.954 1.00 0.00 C ATOM 0 H PHE A 19 -10.220 8.018 6.879 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.090 9.423 4.523 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.782 9.087 7.243 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.207 10.044 5.892 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.575 12.082 5.186 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.240 10.010 8.847 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.775 14.031 6.071 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.452 11.954 9.729 1.00 0.00 H new ATOM 0 HZ PHE A 19 -10.720 13.969 8.342 1.00 0.00 H new ATOM 278 N LEU A 20 -7.808 7.384 3.926 1.00 0.00 N ATOM 279 CA LEU A 20 -7.156 6.143 3.525 1.00 0.00 C ATOM 280 C LEU A 20 -6.144 6.389 2.408 1.00 0.00 C ATOM 281 O LEU A 20 -5.988 7.519 1.937 1.00 0.00 O ATOM 282 CB LEU A 20 -8.203 5.071 3.132 1.00 0.00 C ATOM 283 CG LEU A 20 -8.922 5.197 1.765 1.00 0.00 C ATOM 284 CD1 LEU A 20 -9.084 6.640 1.309 1.00 0.00 C ATOM 285 CD2 LEU A 20 -8.203 4.378 0.707 1.00 0.00 C ATOM 0 H LEU A 20 -7.879 8.084 3.187 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.601 5.757 4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.707 4.101 3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.969 5.057 3.908 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.928 4.800 1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.594 6.662 0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.672 7.190 2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.102 7.103 1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.722 4.479 -0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.179 4.737 0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.191 3.329 1.005 1.00 0.00 H new ATOM 297 N LEU A 21 -5.438 5.341 2.014 1.00 0.00 N ATOM 298 CA LEU A 21 -4.419 5.449 0.987 1.00 0.00 C ATOM 299 C LEU A 21 -4.626 4.397 -0.096 1.00 0.00 C ATOM 300 O LEU A 21 -5.117 3.303 0.171 1.00 0.00 O ATOM 301 CB LEU A 21 -3.035 5.284 1.615 1.00 0.00 C ATOM 302 CG LEU A 21 -1.959 6.224 1.073 1.00 0.00 C ATOM 303 CD1 LEU A 21 -1.161 6.832 2.216 1.00 0.00 C ATOM 304 CD2 LEU A 21 -1.042 5.483 0.112 1.00 0.00 C ATOM 0 H LEU A 21 -5.555 4.402 2.394 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.495 6.434 0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.121 5.438 2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.706 4.256 1.465 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.446 7.032 0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.399 7.499 1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.829 7.396 2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.682 6.038 2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.281 6.167 -0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.560 4.656 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.626 5.095 -0.722 1.00 0.00 H new ATOM 316 N TYR A 22 -4.190 4.717 -1.299 1.00 0.00 N ATOM 317 CA TYR A 22 -4.222 3.781 -2.411 1.00 0.00 C ATOM 318 C TYR A 22 -2.807 3.627 -2.959 1.00 0.00 C ATOM 319 O TYR A 22 -2.115 4.622 -3.174 1.00 0.00 O ATOM 320 CB TYR A 22 -5.156 4.268 -3.531 1.00 0.00 C ATOM 321 CG TYR A 22 -6.413 4.991 -3.070 1.00 0.00 C ATOM 322 CD1 TYR A 22 -6.386 6.341 -2.727 1.00 0.00 C ATOM 323 CD2 TYR A 22 -7.635 4.332 -3.018 1.00 0.00 C ATOM 324 CE1 TYR A 22 -7.537 7.002 -2.342 1.00 0.00 C ATOM 325 CE2 TYR A 22 -8.790 4.991 -2.641 1.00 0.00 C ATOM 326 CZ TYR A 22 -8.735 6.324 -2.303 1.00 0.00 C ATOM 327 OH TYR A 22 -9.887 6.979 -1.927 1.00 0.00 O ATOM 0 H TYR A 22 -3.804 5.631 -1.535 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.603 2.825 -2.052 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.594 4.935 -4.184 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.452 3.408 -4.132 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.451 6.880 -2.763 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -7.683 3.285 -3.277 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -7.497 8.047 -2.073 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -9.731 4.462 -2.612 1.00 0.00 H new ATOM 0 HH TYR A 22 -9.654 7.805 -1.454 1.00 0.00 H new ATOM 337 N ALA A 23 -2.343 2.397 -3.102 1.00 0.00 N ATOM 338 CA ALA A 23 -0.984 2.159 -3.566 1.00 0.00 C ATOM 339 C ALA A 23 -0.857 0.813 -4.269 1.00 0.00 C ATOM 340 O ALA A 23 -1.208 -0.223 -3.698 1.00 0.00 O ATOM 341 CB ALA A 23 -0.010 2.237 -2.400 1.00 0.00 C ATOM 0 H ALA A 23 -2.881 1.553 -2.906 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.740 2.936 -4.291 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.003 2.057 -2.760 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.064 3.227 -1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.270 1.483 -1.657 1.00 0.00 H new ATOM 347 N MET A 24 -0.304 0.837 -5.484 1.00 0.00 N ATOM 348 CA MET A 24 -0.037 -0.378 -6.260 1.00 0.00 C ATOM 349 C MET A 24 -1.320 -1.136 -6.588 1.00 0.00 C ATOM 350 O MET A 24 -1.380 -2.357 -6.447 1.00 0.00 O ATOM 351 CB MET A 24 0.934 -1.297 -5.508 1.00 0.00 C ATOM 352 CG MET A 24 2.366 -1.221 -6.008 1.00 0.00 C ATOM 353 SD MET A 24 2.831 -2.656 -6.999 1.00 0.00 S ATOM 354 CE MET A 24 2.769 -3.951 -5.763 1.00 0.00 C ATOM 0 H MET A 24 -0.029 1.697 -5.958 1.00 0.00 H new ATOM 0 HA MET A 24 0.418 -0.066 -7.200 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.915 -1.040 -4.449 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.584 -2.326 -5.593 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.492 -0.317 -6.603 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.041 -1.138 -5.156 1.00 0.00 H new ATOM 0 HE1 MET A 24 3.452 -4.754 -6.042 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.063 -3.545 -4.795 1.00 0.00 H new ATOM 0 HE3 MET A 24 1.754 -4.344 -5.698 1.00 0.00 H new ATOM 364 N ASP A 25 -2.354 -0.399 -6.995 1.00 0.00 N ATOM 365 CA ASP A 25 -3.658 -0.985 -7.332 1.00 0.00 C ATOM 366 C ASP A 25 -4.281 -1.666 -6.122 1.00 0.00 C ATOM 367 O ASP A 25 -5.189 -2.486 -6.252 1.00 0.00 O ATOM 368 CB ASP A 25 -3.547 -1.987 -8.492 1.00 0.00 C ATOM 369 CG ASP A 25 -4.003 -1.405 -9.814 1.00 0.00 C ATOM 370 OD1 ASP A 25 -3.666 -0.242 -10.108 1.00 0.00 O ATOM 371 OD2 ASP A 25 -4.708 -2.109 -10.570 1.00 0.00 O ATOM 0 H ASP A 25 -2.315 0.615 -7.101 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.303 -0.165 -7.648 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.512 -2.318 -8.583 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.145 -2.869 -8.263 1.00 0.00 H new ATOM 376 N SER A 26 -3.813 -1.298 -4.944 1.00 0.00 N ATOM 377 CA SER A 26 -4.360 -1.819 -3.706 1.00 0.00 C ATOM 378 C SER A 26 -4.654 -0.667 -2.765 1.00 0.00 C ATOM 379 O SER A 26 -4.087 0.413 -2.905 1.00 0.00 O ATOM 380 CB SER A 26 -3.381 -2.800 -3.056 1.00 0.00 C ATOM 381 OG SER A 26 -2.380 -3.208 -3.975 1.00 0.00 O ATOM 0 H SER A 26 -3.049 -0.634 -4.819 1.00 0.00 H new ATOM 0 HA SER A 26 -5.284 -2.356 -3.921 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.914 -2.332 -2.189 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.923 -3.673 -2.693 1.00 0.00 H new ATOM 0 HG SER A 26 -1.770 -2.460 -4.148 1.00 0.00 H new ATOM 387 N TYR A 27 -5.565 -0.875 -1.842 1.00 0.00 N ATOM 388 CA TYR A 27 -5.934 0.169 -0.908 1.00 0.00 C ATOM 389 C TYR A 27 -5.420 -0.176 0.481 1.00 0.00 C ATOM 390 O TYR A 27 -5.106 -1.332 0.761 1.00 0.00 O ATOM 391 CB TYR A 27 -7.448 0.374 -0.906 1.00 0.00 C ATOM 392 CG TYR A 27 -8.059 0.416 -2.292 1.00 0.00 C ATOM 393 CD1 TYR A 27 -7.489 1.176 -3.310 1.00 0.00 C ATOM 394 CD2 TYR A 27 -9.210 -0.303 -2.580 1.00 0.00 C ATOM 395 CE1 TYR A 27 -8.052 1.214 -4.570 1.00 0.00 C ATOM 396 CE2 TYR A 27 -9.779 -0.265 -3.836 1.00 0.00 C ATOM 397 CZ TYR A 27 -9.197 0.495 -4.826 1.00 0.00 C ATOM 398 OH TYR A 27 -9.767 0.541 -6.076 1.00 0.00 O ATOM 0 H TYR A 27 -6.065 -1.755 -1.716 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.475 1.107 -1.219 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.914 -0.431 -0.337 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.679 1.305 -0.388 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.593 1.745 -3.111 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.668 -0.903 -1.808 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.596 1.805 -5.351 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.677 -0.829 -4.042 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.568 -0.023 -6.091 1.00 0.00 H new ATOM 408 N TRP A 28 -5.180 0.848 1.281 1.00 0.00 N ATOM 409 CA TRP A 28 -4.548 0.684 2.584 1.00 0.00 C ATOM 410 C TRP A 28 -5.197 1.599 3.612 1.00 0.00 C ATOM 411 O TRP A 28 -5.763 2.639 3.264 1.00 0.00 O ATOM 412 CB TRP A 28 -3.050 1.029 2.521 1.00 0.00 C ATOM 413 CG TRP A 28 -2.276 0.355 1.420 1.00 0.00 C ATOM 414 CD1 TRP A 28 -2.339 0.625 0.080 1.00 0.00 C ATOM 415 CD2 TRP A 28 -1.288 -0.671 1.574 1.00 0.00 C ATOM 416 NE1 TRP A 28 -1.468 -0.187 -0.606 1.00 0.00 N ATOM 417 CE2 TRP A 28 -0.807 -0.984 0.287 1.00 0.00 C ATOM 418 CE3 TRP A 28 -0.768 -1.361 2.673 1.00 0.00 C ATOM 419 CZ2 TRP A 28 0.173 -1.949 0.075 1.00 0.00 C ATOM 420 CZ3 TRP A 28 0.204 -2.318 2.458 1.00 0.00 C ATOM 421 CH2 TRP A 28 0.667 -2.604 1.168 1.00 0.00 C ATOM 0 H TRP A 28 -5.415 1.813 1.050 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.674 -0.360 2.873 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.948 2.108 2.405 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.594 0.766 3.476 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.980 1.368 -0.372 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -1.336 -0.194 -1.617 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.120 -1.149 3.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.531 -2.173 -0.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.614 -2.856 3.300 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.430 -3.357 1.034 1.00 0.00 H new ATOM 432 N HIS A 29 -4.935 1.313 4.876 1.00 0.00 N ATOM 433 CA HIS A 29 -5.302 2.220 5.952 1.00 0.00 C ATOM 434 C HIS A 29 -4.227 3.285 6.093 1.00 0.00 C ATOM 435 O HIS A 29 -3.103 3.100 5.616 1.00 0.00 O ATOM 436 CB HIS A 29 -5.434 1.470 7.278 1.00 0.00 C ATOM 437 CG HIS A 29 -6.785 0.881 7.529 1.00 0.00 C ATOM 438 ND1 HIS A 29 -6.989 -0.471 7.505 1.00 0.00 N ATOM 439 CD2 HIS A 29 -7.960 1.495 7.817 1.00 0.00 C ATOM 440 CE1 HIS A 29 -8.266 -0.666 7.769 1.00 0.00 C ATOM 441 NE2 HIS A 29 -8.899 0.503 7.968 1.00 0.00 N ATOM 0 H HIS A 29 -4.469 0.459 5.183 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.263 2.675 5.710 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.693 0.671 7.303 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -5.193 2.153 8.092 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -8.125 2.558 7.910 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.740 -1.635 7.819 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.887 0.630 8.189 1.00 0.00 H new ATOM 449 N SER A 30 -4.532 4.340 6.829 1.00 0.00 N ATOM 450 CA SER A 30 -3.558 5.378 7.110 1.00 0.00 C ATOM 451 C SER A 30 -2.366 4.799 7.868 1.00 0.00 C ATOM 452 O SER A 30 -1.214 5.107 7.566 1.00 0.00 O ATOM 453 CB SER A 30 -4.219 6.483 7.927 1.00 0.00 C ATOM 454 OG SER A 30 -5.622 6.289 7.984 1.00 0.00 O ATOM 0 H SER A 30 -5.450 4.500 7.244 1.00 0.00 H new ATOM 0 HA SER A 30 -3.195 5.793 6.170 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.806 6.493 8.936 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.998 7.453 7.482 1.00 0.00 H new ATOM 0 HG SER A 30 -6.030 7.006 8.513 1.00 0.00 H new ATOM 460 N ARG A 31 -2.662 3.937 8.836 1.00 0.00 N ATOM 461 CA ARG A 31 -1.628 3.306 9.645 1.00 0.00 C ATOM 462 C ARG A 31 -1.078 2.050 8.974 1.00 0.00 C ATOM 463 O ARG A 31 0.008 1.584 9.321 1.00 0.00 O ATOM 464 CB ARG A 31 -2.169 2.954 11.032 1.00 0.00 C ATOM 465 CG ARG A 31 -1.114 3.019 12.126 1.00 0.00 C ATOM 466 CD ARG A 31 -0.692 1.637 12.589 1.00 0.00 C ATOM 467 NE ARG A 31 0.648 1.653 13.166 1.00 0.00 N ATOM 468 CZ ARG A 31 1.218 0.615 13.771 1.00 0.00 C ATOM 469 NH1 ARG A 31 0.587 -0.550 13.846 1.00 0.00 N ATOM 470 NH2 ARG A 31 2.431 0.751 14.298 1.00 0.00 N ATOM 0 H ARG A 31 -3.613 3.660 9.079 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.814 4.023 9.747 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.982 3.636 11.281 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.592 1.950 11.005 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.242 3.560 11.758 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.504 3.582 12.974 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.403 1.267 13.328 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.718 0.946 11.746 1.00 0.00 H new ATOM 0 HE ARG A 31 1.184 2.519 13.101 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.342 -0.654 13.438 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.031 -1.341 14.312 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.916 1.646 14.236 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.876 -0.040 14.764 1.00 0.00 H new ATOM 484 N CYS A 32 -1.827 1.486 8.038 1.00 0.00 N ATOM 485 CA CYS A 32 -1.397 0.266 7.370 1.00 0.00 C ATOM 486 C CYS A 32 -0.371 0.563 6.276 1.00 0.00 C ATOM 487 O CYS A 32 0.469 -0.282 5.962 1.00 0.00 O ATOM 488 CB CYS A 32 -2.601 -0.487 6.811 1.00 0.00 C ATOM 489 SG CYS A 32 -3.615 -1.293 8.095 1.00 0.00 S ATOM 0 H CYS A 32 -2.728 1.849 7.726 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.908 -0.371 8.107 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.225 0.208 6.249 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.252 -1.243 6.107 1.00 0.00 H new ATOM 494 N LEU A 33 -0.348 1.799 5.795 1.00 0.00 N ATOM 495 CA LEU A 33 0.687 2.212 4.856 1.00 0.00 C ATOM 496 C LEU A 33 1.946 2.603 5.620 1.00 0.00 C ATOM 497 O LEU A 33 2.169 3.775 5.945 1.00 0.00 O ATOM 498 CB LEU A 33 0.212 3.367 3.968 1.00 0.00 C ATOM 499 CG LEU A 33 0.611 3.262 2.485 1.00 0.00 C ATOM 500 CD1 LEU A 33 1.752 4.211 2.166 1.00 0.00 C ATOM 501 CD2 LEU A 33 1.006 1.840 2.119 1.00 0.00 C ATOM 0 H LEU A 33 -1.024 2.524 6.035 1.00 0.00 H new ATOM 0 HA LEU A 33 0.912 1.371 4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.874 3.430 4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.609 4.299 4.369 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.260 3.542 1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.017 4.120 1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.443 5.235 2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.616 3.960 2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.282 1.799 1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.854 1.530 2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.165 1.171 2.300 1.00 0.00 H new ATOM 513 N LYS A 34 2.708 1.592 5.997 1.00 0.00 N ATOM 514 CA LYS A 34 3.902 1.779 6.799 1.00 0.00 C ATOM 515 C LYS A 34 5.028 0.916 6.267 1.00 0.00 C ATOM 516 O LYS A 34 4.798 0.005 5.465 1.00 0.00 O ATOM 517 CB LYS A 34 3.615 1.425 8.264 1.00 0.00 C ATOM 518 CG LYS A 34 3.623 -0.072 8.548 1.00 0.00 C ATOM 519 CD LYS A 34 2.221 -0.609 8.777 1.00 0.00 C ATOM 520 CE LYS A 34 2.035 -1.987 8.164 1.00 0.00 C ATOM 521 NZ LYS A 34 1.409 -2.935 9.125 1.00 0.00 N ATOM 0 H LYS A 34 2.516 0.620 5.756 1.00 0.00 H new ATOM 0 HA LYS A 34 4.203 2.825 6.742 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.358 1.909 8.897 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.644 1.833 8.543 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.082 -0.598 7.711 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.237 -0.272 9.426 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.021 -0.658 9.847 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.494 0.080 8.348 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.413 -1.908 7.273 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.001 -2.377 7.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.297 -3.865 8.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.015 -3.029 9.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.476 -2.575 9.410 1.00 0.00 H new ATOM 535 N CYS A 35 6.237 1.206 6.717 1.00 0.00 N ATOM 536 CA CYS A 35 7.401 0.456 6.303 1.00 0.00 C ATOM 537 C CYS A 35 7.281 -1.003 6.733 1.00 0.00 C ATOM 538 O CYS A 35 6.748 -1.307 7.807 1.00 0.00 O ATOM 539 CB CYS A 35 8.664 1.075 6.900 1.00 0.00 C ATOM 540 SG CYS A 35 10.195 0.191 6.448 1.00 0.00 S ATOM 0 H CYS A 35 6.434 1.961 7.373 1.00 0.00 H new ATOM 0 HA CYS A 35 7.466 0.493 5.216 1.00 0.00 H new ATOM 0 HB2 CYS A 35 8.742 2.111 6.570 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.572 1.092 7.986 1.00 0.00 H new ATOM 545 N SER A 36 7.822 -1.893 5.921 1.00 0.00 N ATOM 546 CA SER A 36 7.819 -3.311 6.234 1.00 0.00 C ATOM 547 C SER A 36 8.813 -3.623 7.352 1.00 0.00 C ATOM 548 O SER A 36 8.714 -4.660 8.013 1.00 0.00 O ATOM 549 CB SER A 36 8.151 -4.121 4.981 1.00 0.00 C ATOM 550 OG SER A 36 7.656 -3.479 3.816 1.00 0.00 O ATOM 0 H SER A 36 8.271 -1.658 5.036 1.00 0.00 H new ATOM 0 HA SER A 36 6.824 -3.588 6.582 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.231 -4.247 4.900 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.719 -5.118 5.063 1.00 0.00 H new ATOM 0 HG SER A 36 6.746 -3.791 3.632 1.00 0.00 H new ATOM 556 N SER A 37 9.768 -2.727 7.565 1.00 0.00 N ATOM 557 CA SER A 37 10.784 -2.935 8.585 1.00 0.00 C ATOM 558 C SER A 37 10.576 -2.024 9.793 1.00 0.00 C ATOM 559 O SER A 37 10.717 -2.459 10.934 1.00 0.00 O ATOM 560 CB SER A 37 12.174 -2.704 7.993 1.00 0.00 C ATOM 561 OG SER A 37 12.103 -2.478 6.592 1.00 0.00 O ATOM 0 H SER A 37 9.859 -1.853 7.047 1.00 0.00 H new ATOM 0 HA SER A 37 10.697 -3.966 8.929 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.642 -1.848 8.479 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.806 -3.569 8.193 1.00 0.00 H new ATOM 0 HG SER A 37 12.526 -1.620 6.377 1.00 0.00 H new ATOM 567 N CYS A 38 10.335 -0.745 9.542 1.00 0.00 N ATOM 568 CA CYS A 38 10.236 0.231 10.622 1.00 0.00 C ATOM 569 C CYS A 38 8.830 0.306 11.204 1.00 0.00 C ATOM 570 O CYS A 38 8.647 0.799 12.318 1.00 0.00 O ATOM 571 CB CYS A 38 10.635 1.618 10.119 1.00 0.00 C ATOM 572 SG CYS A 38 12.281 1.705 9.352 1.00 0.00 S ATOM 0 H CYS A 38 10.205 -0.359 8.607 1.00 0.00 H new ATOM 0 HA CYS A 38 10.915 -0.098 11.408 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.893 1.954 9.394 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.602 2.316 10.955 1.00 0.00 H new ATOM 577 N GLN A 39 7.841 0.026 10.357 1.00 0.00 N ATOM 578 CA GLN A 39 6.440 0.284 10.686 1.00 0.00 C ATOM 579 C GLN A 39 6.227 1.789 10.797 1.00 0.00 C ATOM 580 O GLN A 39 5.316 2.260 11.478 1.00 0.00 O ATOM 581 CB GLN A 39 6.015 -0.416 11.986 1.00 0.00 C ATOM 582 CG GLN A 39 5.698 -1.892 11.810 1.00 0.00 C ATOM 583 CD GLN A 39 6.908 -2.781 12.030 1.00 0.00 C ATOM 584 OE1 GLN A 39 7.375 -2.949 13.157 1.00 0.00 O ATOM 585 NE2 GLN A 39 7.418 -3.365 10.957 1.00 0.00 N ATOM 0 H GLN A 39 7.985 -0.382 9.433 1.00 0.00 H new ATOM 0 HA GLN A 39 5.818 -0.124 9.889 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.812 -0.310 12.722 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.138 0.089 12.390 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.911 -2.176 12.509 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.308 -2.058 10.806 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.002 -3.200 10.040 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.227 -3.980 11.047 1.00 0.00 H new ATOM 594 N ALA A 40 7.086 2.530 10.107 1.00 0.00 N ATOM 595 CA ALA A 40 7.031 3.968 10.086 1.00 0.00 C ATOM 596 C ALA A 40 6.063 4.424 9.023 1.00 0.00 C ATOM 597 O ALA A 40 6.013 3.864 7.925 1.00 0.00 O ATOM 598 CB ALA A 40 8.414 4.553 9.841 1.00 0.00 C ATOM 0 H ALA A 40 7.842 2.137 9.546 1.00 0.00 H new ATOM 0 HA ALA A 40 6.683 4.324 11.056 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.352 5.641 9.829 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.089 4.237 10.637 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.794 4.200 8.882 1.00 0.00 H new ATOM 604 N GLN A 41 5.207 5.332 9.416 1.00 0.00 N ATOM 605 CA GLN A 41 4.133 5.808 8.562 1.00 0.00 C ATOM 606 C GLN A 41 4.692 6.533 7.346 1.00 0.00 C ATOM 607 O GLN A 41 5.191 7.654 7.445 1.00 0.00 O ATOM 608 CB GLN A 41 3.201 6.728 9.343 1.00 0.00 C ATOM 609 CG GLN A 41 1.736 6.477 9.048 1.00 0.00 C ATOM 610 CD GLN A 41 1.276 5.146 9.601 1.00 0.00 C ATOM 611 OE1 GLN A 41 0.841 5.054 10.748 1.00 0.00 O ATOM 612 NE2 GLN A 41 1.373 4.101 8.792 1.00 0.00 N ATOM 0 H GLN A 41 5.229 5.767 10.338 1.00 0.00 H new ATOM 0 HA GLN A 41 3.564 4.945 8.216 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.379 6.595 10.410 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.441 7.765 9.107 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.135 7.278 9.479 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.572 6.500 7.971 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.739 4.220 7.847 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.081 3.178 9.114 1.00 0.00 H new ATOM 621 N LEU A 42 4.635 5.864 6.205 1.00 0.00 N ATOM 622 CA LEU A 42 5.180 6.401 4.968 1.00 0.00 C ATOM 623 C LEU A 42 4.386 7.619 4.502 1.00 0.00 C ATOM 624 O LEU A 42 4.908 8.479 3.795 1.00 0.00 O ATOM 625 CB LEU A 42 5.181 5.321 3.888 1.00 0.00 C ATOM 626 CG LEU A 42 6.373 4.366 3.934 1.00 0.00 C ATOM 627 CD1 LEU A 42 6.096 3.121 3.107 1.00 0.00 C ATOM 628 CD2 LEU A 42 7.634 5.063 3.448 1.00 0.00 C ATOM 0 H LEU A 42 4.213 4.940 6.110 1.00 0.00 H new ATOM 0 HA LEU A 42 6.205 6.720 5.154 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.264 4.739 3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.159 5.804 2.911 1.00 0.00 H new ATOM 0 HG LEU A 42 6.527 4.060 4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.957 2.454 3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.219 2.609 3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.913 3.406 2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.472 4.368 3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.491 5.400 2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.844 5.921 4.086 1.00 0.00 H new ATOM 640 N GLY A 43 3.144 7.715 4.960 1.00 0.00 N ATOM 641 CA GLY A 43 2.317 8.859 4.632 1.00 0.00 C ATOM 642 C GLY A 43 2.427 9.962 5.668 1.00 0.00 C ATOM 643 O GLY A 43 1.684 10.946 5.622 1.00 0.00 O ATOM 0 H GLY A 43 2.694 7.019 5.554 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.609 9.249 3.657 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.277 8.542 4.550 1.00 0.00 H new ATOM 647 N ASP A 44 3.342 9.792 6.613 1.00 0.00 N ATOM 648 CA ASP A 44 3.543 10.778 7.667 1.00 0.00 C ATOM 649 C ASP A 44 4.913 11.432 7.539 1.00 0.00 C ATOM 650 O ASP A 44 5.060 12.626 7.782 1.00 0.00 O ATOM 651 CB ASP A 44 3.394 10.136 9.045 1.00 0.00 C ATOM 652 CG ASP A 44 3.443 11.153 10.168 1.00 0.00 C ATOM 653 OD1 ASP A 44 2.409 11.795 10.444 1.00 0.00 O ATOM 654 OD2 ASP A 44 4.513 11.305 10.791 1.00 0.00 O ATOM 0 H ASP A 44 3.957 8.980 6.672 1.00 0.00 H new ATOM 0 HA ASP A 44 2.778 11.547 7.558 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.449 9.595 9.090 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.188 9.403 9.188 1.00 0.00 H new ATOM 659 N ILE A 45 5.887 10.674 7.049 1.00 0.00 N ATOM 660 CA ILE A 45 7.218 11.215 6.792 1.00 0.00 C ATOM 661 C ILE A 45 7.257 11.886 5.418 1.00 0.00 C ATOM 662 O ILE A 45 8.032 11.514 4.537 1.00 0.00 O ATOM 663 CB ILE A 45 8.313 10.125 6.889 1.00 0.00 C ATOM 664 CG1 ILE A 45 7.998 8.938 5.969 1.00 0.00 C ATOM 665 CG2 ILE A 45 8.460 9.656 8.330 1.00 0.00 C ATOM 666 CD1 ILE A 45 9.123 7.928 5.870 1.00 0.00 C ATOM 0 H ILE A 45 5.781 9.685 6.822 1.00 0.00 H new ATOM 0 HA ILE A 45 7.427 11.958 7.562 1.00 0.00 H new ATOM 0 HB ILE A 45 9.256 10.561 6.560 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.102 8.436 6.333 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.770 9.314 4.971 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.233 8.889 8.386 1.00 0.00 H new ATOM 0 HG22 ILE A 45 8.740 10.500 8.961 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.513 9.242 8.676 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.827 7.118 5.203 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.015 8.415 5.477 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.337 7.523 6.859 1.00 0.00 H new ATOM 677 N GLY A 46 6.331 12.808 5.218 1.00 0.00 N ATOM 678 CA GLY A 46 6.176 13.436 3.930 1.00 0.00 C ATOM 679 C GLY A 46 5.242 12.639 3.051 1.00 0.00 C ATOM 680 O GLY A 46 4.192 12.182 3.510 1.00 0.00 O ATOM 0 H GLY A 46 5.680 13.133 5.933 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.788 14.446 4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.148 13.527 3.446 1.00 0.00 H new ATOM 684 N THR A 47 5.664 12.376 1.827 1.00 0.00 N ATOM 685 CA THR A 47 4.906 11.519 0.939 1.00 0.00 C ATOM 686 C THR A 47 5.856 10.670 0.101 1.00 0.00 C ATOM 687 O THR A 47 6.394 11.137 -0.902 1.00 0.00 O ATOM 688 CB THR A 47 4.015 12.361 -0.002 1.00 0.00 C ATOM 689 OG1 THR A 47 3.257 13.316 0.756 1.00 0.00 O ATOM 690 CG2 THR A 47 3.070 11.482 -0.803 1.00 0.00 C ATOM 0 H THR A 47 6.527 12.744 1.427 1.00 0.00 H new ATOM 0 HA THR A 47 4.272 10.873 1.546 1.00 0.00 H new ATOM 0 HB THR A 47 4.670 12.885 -0.698 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.829 14.078 0.987 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.458 12.105 -1.455 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.648 10.783 -1.408 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.425 10.926 -0.122 1.00 0.00 H new ATOM 698 N SER A 48 6.010 9.407 0.478 1.00 0.00 N ATOM 699 CA SER A 48 6.846 8.480 -0.271 1.00 0.00 C ATOM 700 C SER A 48 6.504 7.041 0.085 1.00 0.00 C ATOM 701 O SER A 48 6.002 6.764 1.170 1.00 0.00 O ATOM 702 CB SER A 48 8.335 8.735 0.000 1.00 0.00 C ATOM 703 OG SER A 48 8.768 9.962 -0.560 1.00 0.00 O ATOM 0 H SER A 48 5.565 9.001 1.301 1.00 0.00 H new ATOM 0 HA SER A 48 6.650 8.644 -1.331 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.513 8.743 1.075 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.925 7.918 -0.414 1.00 0.00 H new ATOM 0 HG SER A 48 8.000 10.437 -0.940 1.00 0.00 H new ATOM 709 N SER A 49 6.848 6.133 -0.812 1.00 0.00 N ATOM 710 CA SER A 49 6.684 4.707 -0.590 1.00 0.00 C ATOM 711 C SER A 49 7.481 3.973 -1.653 1.00 0.00 C ATOM 712 O SER A 49 7.606 4.473 -2.771 1.00 0.00 O ATOM 713 CB SER A 49 5.208 4.307 -0.656 1.00 0.00 C ATOM 714 OG SER A 49 4.441 5.288 -1.334 1.00 0.00 O ATOM 0 H SER A 49 7.251 6.366 -1.720 1.00 0.00 H new ATOM 0 HA SER A 49 7.046 4.444 0.404 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.111 3.349 -1.166 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.820 4.172 0.353 1.00 0.00 H new ATOM 0 HG SER A 49 3.498 5.022 -1.335 1.00 0.00 H new ATOM 720 N TYR A 50 8.159 2.906 -1.270 1.00 0.00 N ATOM 721 CA TYR A 50 9.066 2.237 -2.188 1.00 0.00 C ATOM 722 C TYR A 50 8.648 0.800 -2.447 1.00 0.00 C ATOM 723 O TYR A 50 8.637 -0.030 -1.537 1.00 0.00 O ATOM 724 CB TYR A 50 10.481 2.277 -1.632 1.00 0.00 C ATOM 725 CG TYR A 50 11.234 3.517 -2.035 1.00 0.00 C ATOM 726 CD1 TYR A 50 11.531 3.759 -3.366 1.00 0.00 C ATOM 727 CD2 TYR A 50 11.649 4.442 -1.090 1.00 0.00 C ATOM 728 CE1 TYR A 50 12.220 4.889 -3.750 1.00 0.00 C ATOM 729 CE2 TYR A 50 12.342 5.575 -1.462 1.00 0.00 C ATOM 730 CZ TYR A 50 12.627 5.796 -2.792 1.00 0.00 C ATOM 731 OH TYR A 50 13.317 6.926 -3.159 1.00 0.00 O ATOM 0 H TYR A 50 8.101 2.487 -0.342 1.00 0.00 H new ATOM 0 HA TYR A 50 9.030 2.766 -3.140 1.00 0.00 H new ATOM 0 HB2 TYR A 50 10.440 2.220 -0.544 1.00 0.00 H new ATOM 0 HB3 TYR A 50 11.026 1.399 -1.977 1.00 0.00 H new ATOM 0 HD1 TYR A 50 11.217 3.049 -4.117 1.00 0.00 H new ATOM 0 HD2 TYR A 50 11.426 4.273 -0.047 1.00 0.00 H new ATOM 0 HE1 TYR A 50 12.440 5.064 -4.793 1.00 0.00 H new ATOM 0 HE2 TYR A 50 12.660 6.286 -0.714 1.00 0.00 H new ATOM 0 HH TYR A 50 14.090 6.674 -3.706 1.00 0.00 H new ATOM 741 N THR A 51 8.323 0.516 -3.696 1.00 0.00 N ATOM 742 CA THR A 51 7.914 -0.817 -4.093 1.00 0.00 C ATOM 743 C THR A 51 9.085 -1.606 -4.673 1.00 0.00 C ATOM 744 O THR A 51 9.438 -1.440 -5.841 1.00 0.00 O ATOM 745 CB THR A 51 6.788 -0.754 -5.140 1.00 0.00 C ATOM 746 OG1 THR A 51 6.308 0.594 -5.271 1.00 0.00 O ATOM 747 CG2 THR A 51 5.643 -1.671 -4.743 1.00 0.00 C ATOM 0 H THR A 51 8.335 1.196 -4.456 1.00 0.00 H new ATOM 0 HA THR A 51 7.552 -1.322 -3.197 1.00 0.00 H new ATOM 0 HB THR A 51 7.189 -1.085 -6.098 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.743 1.023 -6.037 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.855 -1.615 -5.494 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.006 -2.697 -4.673 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.246 -1.360 -3.777 1.00 0.00 H new ATOM 755 N LYS A 52 9.648 -2.501 -3.874 1.00 0.00 N ATOM 756 CA LYS A 52 10.711 -3.375 -4.344 1.00 0.00 C ATOM 757 C LYS A 52 10.786 -4.632 -3.492 1.00 0.00 C ATOM 758 O LYS A 52 10.556 -4.580 -2.283 1.00 0.00 O ATOM 759 CB LYS A 52 12.061 -2.655 -4.345 1.00 0.00 C ATOM 760 CG LYS A 52 12.722 -2.630 -5.715 1.00 0.00 C ATOM 761 CD LYS A 52 14.091 -1.973 -5.668 1.00 0.00 C ATOM 762 CE LYS A 52 15.160 -2.864 -6.275 1.00 0.00 C ATOM 763 NZ LYS A 52 15.212 -2.741 -7.757 1.00 0.00 N ATOM 0 H LYS A 52 9.386 -2.640 -2.898 1.00 0.00 H new ATOM 0 HA LYS A 52 10.478 -3.660 -5.370 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.921 -1.632 -3.997 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.728 -3.144 -3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.820 -3.649 -6.090 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.084 -2.092 -6.417 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.059 -1.025 -6.205 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.350 -1.745 -4.634 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.131 -2.603 -5.855 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.964 -3.901 -6.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.099 -3.155 -8.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.404 -3.245 -8.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.169 -1.737 -8.024 1.00 0.00 H new ATOM 777 N SER A 53 11.075 -5.759 -4.141 1.00 0.00 N ATOM 778 CA SER A 53 11.188 -7.053 -3.466 1.00 0.00 C ATOM 779 C SER A 53 9.856 -7.483 -2.847 1.00 0.00 C ATOM 780 O SER A 53 9.831 -8.225 -1.860 1.00 0.00 O ATOM 781 CB SER A 53 12.279 -6.993 -2.389 1.00 0.00 C ATOM 782 OG SER A 53 13.464 -6.401 -2.903 1.00 0.00 O ATOM 0 H SER A 53 11.237 -5.802 -5.147 1.00 0.00 H new ATOM 0 HA SER A 53 11.462 -7.797 -4.214 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.921 -6.419 -1.534 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.496 -7.999 -2.029 1.00 0.00 H new ATOM 0 HG SER A 53 13.662 -5.580 -2.406 1.00 0.00 H new ATOM 788 N GLY A 54 8.756 -6.983 -3.406 1.00 0.00 N ATOM 789 CA GLY A 54 7.440 -7.281 -2.876 1.00 0.00 C ATOM 790 C GLY A 54 7.207 -6.613 -1.536 1.00 0.00 C ATOM 791 O GLY A 54 6.279 -6.966 -0.802 1.00 0.00 O ATOM 0 H GLY A 54 8.756 -6.372 -4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.680 -6.950 -3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.327 -8.360 -2.769 1.00 0.00 H new ATOM 795 N MET A 55 8.085 -5.681 -1.200 1.00 0.00 N ATOM 796 CA MET A 55 8.036 -4.999 0.078 1.00 0.00 C ATOM 797 C MET A 55 7.737 -3.524 -0.116 1.00 0.00 C ATOM 798 O MET A 55 7.787 -3.011 -1.236 1.00 0.00 O ATOM 799 CB MET A 55 9.374 -5.155 0.802 1.00 0.00 C ATOM 800 CG MET A 55 9.335 -6.111 1.980 1.00 0.00 C ATOM 801 SD MET A 55 10.833 -6.032 2.983 1.00 0.00 S ATOM 802 CE MET A 55 12.098 -6.057 1.714 1.00 0.00 C ATOM 0 H MET A 55 8.848 -5.379 -1.805 1.00 0.00 H new ATOM 0 HA MET A 55 7.242 -5.445 0.676 1.00 0.00 H new ATOM 0 HB2 MET A 55 10.122 -5.504 0.090 1.00 0.00 H new ATOM 0 HB3 MET A 55 9.701 -4.176 1.153 1.00 0.00 H new ATOM 0 HG2 MET A 55 8.471 -5.879 2.603 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.200 -7.129 1.614 1.00 0.00 H new ATOM 0 HE1 MET A 55 13.075 -6.192 2.177 1.00 0.00 H new ATOM 0 HE2 MET A 55 11.906 -6.879 1.025 1.00 0.00 H new ATOM 0 HE3 MET A 55 12.083 -5.114 1.167 1.00 0.00 H new ATOM 812 N ILE A 56 7.520 -2.836 0.992 1.00 0.00 N ATOM 813 CA ILE A 56 7.303 -1.397 0.980 1.00 0.00 C ATOM 814 C ILE A 56 8.281 -0.727 1.937 1.00 0.00 C ATOM 815 O ILE A 56 8.039 -0.668 3.143 1.00 0.00 O ATOM 816 CB ILE A 56 5.860 -1.019 1.389 1.00 0.00 C ATOM 817 CG1 ILE A 56 4.856 -2.097 0.946 1.00 0.00 C ATOM 818 CG2 ILE A 56 5.484 0.339 0.815 1.00 0.00 C ATOM 819 CD1 ILE A 56 4.420 -1.993 -0.504 1.00 0.00 C ATOM 0 H ILE A 56 7.489 -3.255 1.921 1.00 0.00 H new ATOM 0 HA ILE A 56 7.464 -1.052 -0.041 1.00 0.00 H new ATOM 0 HB ILE A 56 5.821 -0.957 2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.301 -3.079 1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.973 -2.037 1.583 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.466 0.590 1.112 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.170 1.097 1.194 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.547 0.304 -0.273 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.713 -2.791 -0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.943 -1.028 -0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.291 -2.085 -1.153 1.00 0.00 H new ATOM 830 N LEU A 57 9.423 -0.312 1.412 1.00 0.00 N ATOM 831 CA LEU A 57 10.462 0.281 2.243 1.00 0.00 C ATOM 832 C LEU A 57 10.228 1.772 2.423 1.00 0.00 C ATOM 833 O LEU A 57 9.577 2.419 1.597 1.00 0.00 O ATOM 834 CB LEU A 57 11.857 0.066 1.635 1.00 0.00 C ATOM 835 CG LEU A 57 12.446 -1.341 1.775 1.00 0.00 C ATOM 836 CD1 LEU A 57 12.013 -1.986 3.082 1.00 0.00 C ATOM 837 CD2 LEU A 57 12.055 -2.205 0.585 1.00 0.00 C ATOM 0 H LEU A 57 9.654 -0.374 0.421 1.00 0.00 H new ATOM 0 HA LEU A 57 10.416 -0.215 3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.811 0.314 0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.545 0.773 2.098 1.00 0.00 H new ATOM 0 HG LEU A 57 13.532 -1.255 1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.445 -2.984 3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.357 -1.379 3.919 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.926 -2.058 3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.483 -3.201 0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.969 -2.280 0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.433 -1.754 -0.332 1.00 0.00 H new ATOM 849 N CYS A 58 10.871 2.327 3.436 1.00 0.00 N ATOM 850 CA CYS A 58 10.848 3.753 3.663 1.00 0.00 C ATOM 851 C CYS A 58 11.858 4.432 2.744 1.00 0.00 C ATOM 852 O CYS A 58 12.580 3.763 1.999 1.00 0.00 O ATOM 853 CB CYS A 58 11.188 4.044 5.123 1.00 0.00 C ATOM 854 SG CYS A 58 12.663 3.151 5.714 1.00 0.00 S ATOM 0 H CYS A 58 11.419 1.802 4.117 1.00 0.00 H new ATOM 0 HA CYS A 58 9.853 4.141 3.446 1.00 0.00 H new ATOM 0 HB2 CYS A 58 11.348 5.115 5.245 1.00 0.00 H new ATOM 0 HB3 CYS A 58 10.336 3.776 5.747 1.00 0.00 H new ATOM 859 N ARG A 59 12.020 5.732 2.910 1.00 0.00 N ATOM 860 CA ARG A 59 13.036 6.466 2.172 1.00 0.00 C ATOM 861 C ARG A 59 14.381 6.357 2.880 1.00 0.00 C ATOM 862 O ARG A 59 15.370 6.950 2.455 1.00 0.00 O ATOM 863 CB ARG A 59 12.638 7.934 2.032 1.00 0.00 C ATOM 864 CG ARG A 59 11.726 8.215 0.848 1.00 0.00 C ATOM 865 CD ARG A 59 12.483 8.812 -0.333 1.00 0.00 C ATOM 866 NE ARG A 59 13.715 9.486 0.075 1.00 0.00 N ATOM 867 CZ ARG A 59 14.897 9.303 -0.516 1.00 0.00 C ATOM 868 NH1 ARG A 59 15.010 8.463 -1.541 1.00 0.00 N ATOM 869 NH2 ARG A 59 15.959 9.976 -0.093 1.00 0.00 N ATOM 0 H ARG A 59 11.463 6.302 3.547 1.00 0.00 H new ATOM 0 HA ARG A 59 13.122 6.031 1.176 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.139 8.254 2.947 1.00 0.00 H new ATOM 0 HB3 ARG A 59 13.541 8.537 1.934 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.242 7.289 0.537 1.00 0.00 H new ATOM 0 HG3 ARG A 59 10.936 8.900 1.155 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.723 8.021 -1.044 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.839 9.522 -0.852 1.00 0.00 H new ATOM 0 HE ARG A 59 13.668 10.136 0.860 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.191 7.956 -1.878 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.915 8.326 -1.990 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.871 10.632 0.683 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.863 9.837 -0.544 1.00 0.00 H new ATOM 883 N ASN A 60 14.409 5.590 3.958 1.00 0.00 N ATOM 884 CA ASN A 60 15.639 5.354 4.700 1.00 0.00 C ATOM 885 C ASN A 60 16.170 3.957 4.407 1.00 0.00 C ATOM 886 O ASN A 60 17.349 3.773 4.099 1.00 0.00 O ATOM 887 CB ASN A 60 15.399 5.523 6.203 1.00 0.00 C ATOM 888 CG ASN A 60 16.683 5.742 6.978 1.00 0.00 C ATOM 889 OD1 ASN A 60 17.698 6.162 6.422 1.00 0.00 O ATOM 890 ND2 ASN A 60 16.646 5.459 8.270 1.00 0.00 N ATOM 0 H ASN A 60 13.590 5.118 4.341 1.00 0.00 H new ATOM 0 HA ASN A 60 16.381 6.087 4.383 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.731 6.369 6.368 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.893 4.638 6.588 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.479 5.587 8.844 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.784 5.113 8.692 1.00 0.00 H new ATOM 897 N ASP A 61 15.284 2.975 4.507 1.00 0.00 N ATOM 898 CA ASP A 61 15.648 1.579 4.312 1.00 0.00 C ATOM 899 C ASP A 61 15.985 1.301 2.862 1.00 0.00 C ATOM 900 O ASP A 61 16.921 0.564 2.566 1.00 0.00 O ATOM 901 CB ASP A 61 14.500 0.667 4.739 1.00 0.00 C ATOM 902 CG ASP A 61 14.483 0.404 6.229 1.00 0.00 C ATOM 903 OD1 ASP A 61 15.563 0.475 6.864 1.00 0.00 O ATOM 904 OD2 ASP A 61 13.410 0.057 6.759 1.00 0.00 O ATOM 0 H ASP A 61 14.298 3.123 4.724 1.00 0.00 H new ATOM 0 HA ASP A 61 16.527 1.378 4.925 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.553 1.120 4.444 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.579 -0.282 4.208 1.00 0.00 H new ATOM 909 N TYR A 62 15.161 1.826 1.965 1.00 0.00 N ATOM 910 CA TYR A 62 15.306 1.568 0.539 1.00 0.00 C ATOM 911 C TYR A 62 16.712 1.890 0.047 1.00 0.00 C ATOM 912 O TYR A 62 17.301 1.126 -0.720 1.00 0.00 O ATOM 913 CB TYR A 62 14.288 2.382 -0.249 1.00 0.00 C ATOM 914 CG TYR A 62 14.271 2.068 -1.724 1.00 0.00 C ATOM 915 CD1 TYR A 62 13.563 0.979 -2.214 1.00 0.00 C ATOM 916 CD2 TYR A 62 14.947 2.873 -2.628 1.00 0.00 C ATOM 917 CE1 TYR A 62 13.530 0.703 -3.567 1.00 0.00 C ATOM 918 CE2 TYR A 62 14.922 2.603 -3.978 1.00 0.00 C ATOM 919 CZ TYR A 62 14.212 1.520 -4.445 1.00 0.00 C ATOM 920 OH TYR A 62 14.188 1.254 -5.794 1.00 0.00 O ATOM 0 H TYR A 62 14.380 2.437 2.202 1.00 0.00 H new ATOM 0 HA TYR A 62 15.128 0.505 0.379 1.00 0.00 H new ATOM 0 HB2 TYR A 62 13.295 2.202 0.163 1.00 0.00 H new ATOM 0 HB3 TYR A 62 14.502 3.442 -0.115 1.00 0.00 H new ATOM 0 HD1 TYR A 62 13.030 0.338 -1.527 1.00 0.00 H new ATOM 0 HD2 TYR A 62 15.502 3.726 -2.267 1.00 0.00 H new ATOM 0 HE1 TYR A 62 12.974 -0.147 -3.935 1.00 0.00 H new ATOM 0 HE2 TYR A 62 15.457 3.238 -4.668 1.00 0.00 H new ATOM 0 HH TYR A 62 15.103 1.259 -6.145 1.00 0.00 H new ATOM 930 N ILE A 63 17.224 3.044 0.453 1.00 0.00 N ATOM 931 CA ILE A 63 18.529 3.509 -0.005 1.00 0.00 C ATOM 932 C ILE A 63 19.659 2.713 0.642 1.00 0.00 C ATOM 933 O ILE A 63 20.752 2.607 0.090 1.00 0.00 O ATOM 934 CB ILE A 63 18.734 5.016 0.278 1.00 0.00 C ATOM 935 CG1 ILE A 63 17.387 5.733 0.422 1.00 0.00 C ATOM 936 CG2 ILE A 63 19.556 5.656 -0.829 1.00 0.00 C ATOM 937 CD1 ILE A 63 16.587 5.819 -0.866 1.00 0.00 C ATOM 0 H ILE A 63 16.755 3.678 1.100 1.00 0.00 H new ATOM 0 HA ILE A 63 18.554 3.352 -1.083 1.00 0.00 H new ATOM 0 HB ILE A 63 19.276 5.114 1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.791 5.215 1.173 1.00 0.00 H new ATOM 0 HG13 ILE A 63 17.563 6.742 0.795 1.00 0.00 H new ATOM 0 HG21 ILE A 63 19.691 6.716 -0.615 1.00 0.00 H new ATOM 0 HG22 ILE A 63 20.530 5.170 -0.886 1.00 0.00 H new ATOM 0 HG23 ILE A 63 19.037 5.541 -1.781 1.00 0.00 H new ATOM 0 HD11 ILE A 63 15.649 6.340 -0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 63 17.161 6.365 -1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 63 16.377 4.814 -1.231 1.00 0.00 H new ATOM 948 N ARG A 64 19.364 2.088 1.773 1.00 0.00 N ATOM 949 CA ARG A 64 20.336 1.232 2.440 1.00 0.00 C ATOM 950 C ARG A 64 20.268 -0.178 1.864 1.00 0.00 C ATOM 951 O ARG A 64 21.240 -0.932 1.913 1.00 0.00 O ATOM 952 CB ARG A 64 20.080 1.197 3.947 1.00 0.00 C ATOM 953 CG ARG A 64 20.892 2.218 4.723 1.00 0.00 C ATOM 954 CD ARG A 64 20.780 1.998 6.221 1.00 0.00 C ATOM 955 NE ARG A 64 20.805 3.257 6.959 1.00 0.00 N ATOM 956 CZ ARG A 64 19.934 3.585 7.911 1.00 0.00 C ATOM 957 NH1 ARG A 64 18.931 2.767 8.211 1.00 0.00 N ATOM 958 NH2 ARG A 64 20.060 4.743 8.546 1.00 0.00 N ATOM 0 H ARG A 64 18.463 2.157 2.247 1.00 0.00 H new ATOM 0 HA ARG A 64 21.332 1.640 2.270 1.00 0.00 H new ATOM 0 HB2 ARG A 64 19.020 1.371 4.132 1.00 0.00 H new ATOM 0 HB3 ARG A 64 20.309 0.200 4.323 1.00 0.00 H new ATOM 0 HG2 ARG A 64 21.938 2.156 4.423 1.00 0.00 H new ATOM 0 HG3 ARG A 64 20.548 3.222 4.475 1.00 0.00 H new ATOM 0 HD2 ARG A 64 19.855 1.466 6.442 1.00 0.00 H new ATOM 0 HD3 ARG A 64 21.600 1.364 6.557 1.00 0.00 H new ATOM 0 HE ARG A 64 21.537 3.929 6.731 1.00 0.00 H new ATOM 0 HH11 ARG A 64 18.826 1.884 7.711 1.00 0.00 H new ATOM 0 HH12 ARG A 64 18.266 3.022 8.941 1.00 0.00 H new ATOM 0 HH21 ARG A 64 20.821 5.377 8.304 1.00 0.00 H new ATOM 0 HH22 ARG A 64 19.395 4.999 9.276 1.00 0.00 H new ATOM 972 N LEU A 65 19.108 -0.522 1.316 1.00 0.00 N ATOM 973 CA LEU A 65 18.887 -1.831 0.723 1.00 0.00 C ATOM 974 C LEU A 65 19.452 -1.884 -0.690 1.00 0.00 C ATOM 975 O LEU A 65 20.339 -2.684 -0.986 1.00 0.00 O ATOM 976 CB LEU A 65 17.389 -2.153 0.694 1.00 0.00 C ATOM 977 CG LEU A 65 16.968 -3.434 1.422 1.00 0.00 C ATOM 978 CD1 LEU A 65 17.880 -4.595 1.053 1.00 0.00 C ATOM 979 CD2 LEU A 65 16.965 -3.213 2.927 1.00 0.00 C ATOM 0 H LEU A 65 18.299 0.097 1.271 1.00 0.00 H new ATOM 0 HA LEU A 65 19.402 -2.573 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.848 -1.314 1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 65 17.073 -2.228 -0.346 1.00 0.00 H new ATOM 0 HG LEU A 65 15.956 -3.687 1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 65 17.560 -5.492 1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 65 17.829 -4.771 -0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 65 18.906 -4.355 1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 65 16.664 -4.132 3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.965 -2.931 3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.264 -2.417 3.176 1.00 0.00 H new ATOM 991 N PHE A 66 18.920 -1.044 -1.572 1.00 0.00 N ATOM 992 CA PHE A 66 19.367 -1.037 -2.961 1.00 0.00 C ATOM 993 C PHE A 66 19.802 0.363 -3.378 1.00 0.00 C ATOM 994 O PHE A 66 20.888 0.538 -3.936 1.00 0.00 O ATOM 995 CB PHE A 66 18.242 -1.503 -3.897 1.00 0.00 C ATOM 996 CG PHE A 66 17.138 -2.266 -3.215 1.00 0.00 C ATOM 997 CD1 PHE A 66 16.056 -1.594 -2.665 1.00 0.00 C ATOM 998 CD2 PHE A 66 17.173 -3.645 -3.133 1.00 0.00 C ATOM 999 CE1 PHE A 66 15.034 -2.287 -2.047 1.00 0.00 C ATOM 1000 CE2 PHE A 66 16.152 -4.344 -2.517 1.00 0.00 C ATOM 1001 CZ PHE A 66 15.083 -3.663 -1.972 1.00 0.00 C ATOM 0 H PHE A 66 18.188 -0.367 -1.354 1.00 0.00 H new ATOM 0 HA PHE A 66 20.212 -1.721 -3.038 1.00 0.00 H new ATOM 0 HB2 PHE A 66 17.813 -0.631 -4.390 1.00 0.00 H new ATOM 0 HB3 PHE A 66 18.672 -2.131 -4.677 1.00 0.00 H new ATOM 0 HD1 PHE A 66 16.013 -0.516 -2.721 1.00 0.00 H new ATOM 0 HD2 PHE A 66 18.009 -4.183 -3.556 1.00 0.00 H new ATOM 0 HE1 PHE A 66 14.197 -1.752 -1.623 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.191 -5.422 -2.462 1.00 0.00 H new ATOM 0 HZ PHE A 66 14.286 -4.207 -1.487 1.00 0.00 H new ATOM 1011 N GLY A 67 18.993 1.355 -3.015 1.00 0.00 N ATOM 1012 CA GLY A 67 19.305 2.747 -3.307 1.00 0.00 C ATOM 1013 C GLY A 67 19.669 3.003 -4.761 1.00 0.00 C ATOM 1014 O GLY A 67 19.365 2.193 -5.644 1.00 0.00 O ATOM 0 H GLY A 67 18.114 1.217 -2.516 1.00 0.00 H new ATOM 0 HA2 GLY A 67 18.447 3.365 -3.043 1.00 0.00 H new ATOM 0 HA3 GLY A 67 20.133 3.064 -2.674 1.00 0.00 H new ATOM 1018 N ASN A 68 20.373 4.110 -4.980 1.00 0.00 N ATOM 1019 CA ASN A 68 20.875 4.497 -6.298 1.00 0.00 C ATOM 1020 C ASN A 68 21.523 5.872 -6.214 1.00 0.00 C ATOM 1021 O ASN A 68 22.717 6.023 -6.479 1.00 0.00 O ATOM 1022 CB ASN A 68 19.762 4.519 -7.354 1.00 0.00 C ATOM 1023 CG ASN A 68 20.303 4.775 -8.751 1.00 0.00 C ATOM 1024 OD1 ASN A 68 20.793 5.862 -9.052 1.00 0.00 O ATOM 1025 ND2 ASN A 68 20.223 3.778 -9.615 1.00 0.00 N ATOM 0 H ASN A 68 20.614 4.771 -4.241 1.00 0.00 H new ATOM 0 HA ASN A 68 21.609 3.752 -6.604 1.00 0.00 H new ATOM 0 HB2 ASN A 68 19.231 3.567 -7.340 1.00 0.00 H new ATOM 0 HB3 ASN A 68 19.037 5.292 -7.099 1.00 0.00 H new ATOM 0 HD21 ASN A 68 20.574 3.897 -10.565 1.00 0.00 H new ATOM 0 HD22 ASN A 68 19.810 2.889 -9.331 1.00 0.00 H new ATOM 1032 N SER A 69 20.734 6.864 -5.813 1.00 0.00 N ATOM 1033 CA SER A 69 21.218 8.230 -5.649 1.00 0.00 C ATOM 1034 C SER A 69 20.184 9.058 -4.887 1.00 0.00 C ATOM 1035 O SER A 69 19.179 8.519 -4.420 1.00 0.00 O ATOM 1036 CB SER A 69 21.515 8.872 -7.013 1.00 0.00 C ATOM 1037 OG SER A 69 20.643 8.381 -8.018 1.00 0.00 O ATOM 0 H SER A 69 19.745 6.744 -5.593 1.00 0.00 H new ATOM 0 HA SER A 69 22.146 8.204 -5.078 1.00 0.00 H new ATOM 0 HB2 SER A 69 21.412 9.954 -6.937 1.00 0.00 H new ATOM 0 HB3 SER A 69 22.548 8.669 -7.295 1.00 0.00 H new ATOM 0 HG SER A 69 20.912 7.473 -8.270 1.00 0.00 H new ATOM 1043 N GLY A 70 20.422 10.358 -4.764 1.00 0.00 N ATOM 1044 CA GLY A 70 19.488 11.223 -4.068 1.00 0.00 C ATOM 1045 C GLY A 70 19.422 12.604 -4.689 1.00 0.00 C ATOM 1046 O GLY A 70 20.123 12.883 -5.667 1.00 0.00 O ATOM 0 H GLY A 70 21.247 10.830 -5.135 1.00 0.00 H new ATOM 0 HA2 GLY A 70 18.496 10.771 -4.082 1.00 0.00 H new ATOM 0 HA3 GLY A 70 19.784 11.309 -3.023 1.00 0.00 H new ATOM 1050 N ALA A 71 18.594 13.472 -4.122 1.00 0.00 N ATOM 1051 CA ALA A 71 18.444 14.831 -4.630 1.00 0.00 C ATOM 1052 C ALA A 71 18.733 15.859 -3.541 1.00 0.00 C ATOM 1053 O ALA A 71 18.667 17.068 -3.778 1.00 0.00 O ATOM 1054 CB ALA A 71 17.046 15.032 -5.203 1.00 0.00 C ATOM 0 H ALA A 71 18.015 13.260 -3.309 1.00 0.00 H new ATOM 0 HA ALA A 71 19.171 14.977 -5.429 1.00 0.00 H new ATOM 0 HB1 ALA A 71 16.950 16.051 -5.578 1.00 0.00 H new ATOM 0 HB2 ALA A 71 16.883 14.328 -6.019 1.00 0.00 H new ATOM 0 HB3 ALA A 71 16.305 14.861 -4.422 1.00 0.00 H new ATOM 1060 N GLY A 72 19.044 15.374 -2.344 1.00 0.00 N ATOM 1061 CA GLY A 72 19.314 16.262 -1.230 1.00 0.00 C ATOM 1062 C GLY A 72 19.933 15.547 -0.048 1.00 0.00 C ATOM 1063 O GLY A 72 21.019 15.911 0.405 1.00 0.00 O ATOM 0 H GLY A 72 19.114 14.380 -2.126 1.00 0.00 H new ATOM 0 HA2 GLY A 72 19.983 17.057 -1.559 1.00 0.00 H new ATOM 0 HA3 GLY A 72 18.384 16.737 -0.916 1.00 0.00 H new ATOM 1067 N GLY A 73 19.242 14.543 0.464 1.00 0.00 N ATOM 1068 CA GLY A 73 19.736 13.815 1.612 1.00 0.00 C ATOM 1069 C GLY A 73 19.469 14.553 2.905 1.00 0.00 C ATOM 1070 O GLY A 73 18.353 14.533 3.420 1.00 0.00 O ATOM 0 H GLY A 73 18.345 14.218 0.104 1.00 0.00 H new ATOM 0 HA2 GLY A 73 19.264 12.833 1.650 1.00 0.00 H new ATOM 0 HA3 GLY A 73 20.808 13.649 1.503 1.00 0.00 H new ATOM 1074 N SER A 74 20.485 15.227 3.422 1.00 0.00 N ATOM 1075 CA SER A 74 20.345 15.972 4.661 1.00 0.00 C ATOM 1076 C SER A 74 20.530 17.469 4.431 1.00 0.00 C ATOM 1077 O SER A 74 20.606 18.243 5.384 1.00 0.00 O ATOM 1078 CB SER A 74 21.358 15.471 5.690 1.00 0.00 C ATOM 1079 OG SER A 74 21.848 14.184 5.342 1.00 0.00 O ATOM 0 H SER A 74 21.414 15.273 3.003 1.00 0.00 H new ATOM 0 HA SER A 74 19.336 15.811 5.040 1.00 0.00 H new ATOM 0 HB2 SER A 74 22.189 16.173 5.759 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.892 15.432 6.674 1.00 0.00 H new ATOM 0 HG SER A 74 22.495 13.887 6.015 1.00 0.00 H new ATOM 1085 N GLY A 75 20.598 17.880 3.168 1.00 0.00 N ATOM 1086 CA GLY A 75 20.767 19.290 2.870 1.00 0.00 C ATOM 1087 C GLY A 75 20.667 19.597 1.391 1.00 0.00 C ATOM 1088 O GLY A 75 20.191 18.775 0.604 1.00 0.00 O ATOM 0 H GLY A 75 20.540 17.269 2.354 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.010 19.863 3.406 1.00 0.00 H new ATOM 0 HA3 GLY A 75 21.738 19.620 3.239 1.00 0.00 H new ATOM 1092 N GLY A 76 21.082 20.799 1.021 1.00 0.00 N ATOM 1093 CA GLY A 76 21.004 21.229 -0.357 1.00 0.00 C ATOM 1094 C GLY A 76 19.634 21.768 -0.704 1.00 0.00 C ATOM 1095 O GLY A 76 19.109 22.639 -0.006 1.00 0.00 O ATOM 0 H GLY A 76 21.475 21.490 1.660 1.00 0.00 H new ATOM 0 HA2 GLY A 76 21.754 21.999 -0.540 1.00 0.00 H new ATOM 0 HA3 GLY A 76 21.241 20.391 -1.013 1.00 0.00 H new ATOM 1099 N HIS A 77 19.020 21.200 -1.730 1.00 0.00 N ATOM 1100 CA HIS A 77 17.673 21.588 -2.127 1.00 0.00 C ATOM 1101 C HIS A 77 16.697 20.449 -1.870 1.00 0.00 C ATOM 1102 O HIS A 77 16.830 19.369 -2.446 1.00 0.00 O ATOM 1103 CB HIS A 77 17.621 22.013 -3.605 1.00 0.00 C ATOM 1104 CG HIS A 77 18.425 21.158 -4.544 1.00 0.00 C ATOM 1105 ND1 HIS A 77 19.780 21.327 -4.747 1.00 0.00 N ATOM 1106 CD2 HIS A 77 18.053 20.139 -5.355 1.00 0.00 C ATOM 1107 CE1 HIS A 77 20.202 20.455 -5.642 1.00 0.00 C ATOM 1108 NE2 HIS A 77 19.176 19.723 -6.024 1.00 0.00 N ATOM 0 H HIS A 77 19.433 20.466 -2.305 1.00 0.00 H new ATOM 0 HA HIS A 77 17.383 22.448 -1.523 1.00 0.00 H new ATOM 0 HB2 HIS A 77 16.581 22.006 -3.932 1.00 0.00 H new ATOM 0 HB3 HIS A 77 17.973 23.042 -3.684 1.00 0.00 H new ATOM 0 HD2 HIS A 77 17.058 19.730 -5.456 1.00 0.00 H new ATOM 0 HE1 HIS A 77 21.216 20.358 -6.001 1.00 0.00 H new ATOM 0 HE2 HIS A 77 19.211 18.967 -6.708 1.00 0.00 H new ATOM 1117 N MET A 78 15.748 20.693 -0.970 1.00 0.00 N ATOM 1118 CA MET A 78 14.750 19.697 -0.582 1.00 0.00 C ATOM 1119 C MET A 78 15.421 18.448 -0.014 1.00 0.00 C ATOM 1120 O MET A 78 15.051 17.324 -0.346 1.00 0.00 O ATOM 1121 CB MET A 78 13.855 19.330 -1.772 1.00 0.00 C ATOM 1122 CG MET A 78 12.435 18.953 -1.374 1.00 0.00 C ATOM 1123 SD MET A 78 11.196 19.574 -2.533 1.00 0.00 S ATOM 1124 CE MET A 78 11.847 18.961 -4.085 1.00 0.00 C ATOM 0 H MET A 78 15.648 21.587 -0.488 1.00 0.00 H new ATOM 0 HA MET A 78 14.124 20.134 0.196 1.00 0.00 H new ATOM 0 HB2 MET A 78 13.818 20.173 -2.462 1.00 0.00 H new ATOM 0 HB3 MET A 78 14.306 18.497 -2.311 1.00 0.00 H new ATOM 0 HG2 MET A 78 12.356 17.868 -1.311 1.00 0.00 H new ATOM 0 HG3 MET A 78 12.225 19.346 -0.379 1.00 0.00 H new ATOM 0 HE1 MET A 78 11.061 18.975 -4.840 1.00 0.00 H new ATOM 0 HE2 MET A 78 12.673 19.594 -4.409 1.00 0.00 H new ATOM 0 HE3 MET A 78 12.204 17.940 -3.952 1.00 0.00 H new ATOM 1134 N GLY A 79 16.372 18.655 0.888 1.00 0.00 N ATOM 1135 CA GLY A 79 17.034 17.543 1.537 1.00 0.00 C ATOM 1136 C GLY A 79 16.122 16.862 2.531 1.00 0.00 C ATOM 1137 O GLY A 79 15.966 17.326 3.660 1.00 0.00 O ATOM 0 H GLY A 79 16.696 19.576 1.181 1.00 0.00 H new ATOM 0 HA2 GLY A 79 17.359 16.823 0.786 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.930 17.898 2.047 1.00 0.00 H new ATOM 1141 N SER A 80 15.449 15.819 2.084 1.00 0.00 N ATOM 1142 CA SER A 80 14.480 15.133 2.919 1.00 0.00 C ATOM 1143 C SER A 80 15.025 13.798 3.417 1.00 0.00 C ATOM 1144 O SER A 80 14.865 13.459 4.591 1.00 0.00 O ATOM 1145 CB SER A 80 13.181 14.914 2.141 1.00 0.00 C ATOM 1146 OG SER A 80 13.028 15.888 1.121 1.00 0.00 O ATOM 0 H SER A 80 15.555 15.428 1.148 1.00 0.00 H new ATOM 0 HA SER A 80 14.278 15.759 3.788 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.181 13.917 1.700 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.332 14.961 2.823 1.00 0.00 H new ATOM 0 HG SER A 80 12.192 15.726 0.637 1.00 0.00 H new ATOM 1152 N GLY A 81 15.637 13.032 2.520 1.00 0.00 N ATOM 1153 CA GLY A 81 16.126 11.715 2.876 1.00 0.00 C ATOM 1154 C GLY A 81 14.984 10.802 3.274 1.00 0.00 C ATOM 1155 O GLY A 81 13.966 10.750 2.584 1.00 0.00 O ATOM 0 H GLY A 81 15.803 13.302 1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 81 16.665 11.283 2.033 1.00 0.00 H new ATOM 0 HA3 GLY A 81 16.835 11.797 3.700 1.00 0.00 H new ATOM 1159 N GLY A 82 15.073 10.233 4.465 1.00 0.00 N ATOM 1160 CA GLY A 82 13.951 9.501 5.023 1.00 0.00 C ATOM 1161 C GLY A 82 13.118 10.397 5.914 1.00 0.00 C ATOM 1162 O GLY A 82 12.800 10.037 7.046 1.00 0.00 O ATOM 0 H GLY A 82 15.902 10.264 5.058 1.00 0.00 H new ATOM 0 HA2 GLY A 82 13.333 9.104 4.218 1.00 0.00 H new ATOM 0 HA3 GLY A 82 14.315 8.648 5.595 1.00 0.00 H new ATOM 1166 N ASP A 83 12.914 11.624 5.437 1.00 0.00 N ATOM 1167 CA ASP A 83 12.276 12.693 6.206 1.00 0.00 C ATOM 1168 C ASP A 83 12.962 12.875 7.553 1.00 0.00 C ATOM 1169 O ASP A 83 12.343 12.762 8.613 1.00 0.00 O ATOM 1170 CB ASP A 83 10.781 12.446 6.396 1.00 0.00 C ATOM 1171 CG ASP A 83 10.025 13.736 6.668 1.00 0.00 C ATOM 1172 OD1 ASP A 83 10.236 14.720 5.929 1.00 0.00 O ATOM 1173 OD2 ASP A 83 9.230 13.770 7.632 1.00 0.00 O ATOM 0 H ASP A 83 13.189 11.907 4.497 1.00 0.00 H new ATOM 0 HA ASP A 83 12.386 13.612 5.631 1.00 0.00 H new ATOM 0 HB2 ASP A 83 10.375 11.968 5.504 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.629 11.754 7.225 1.00 0.00 H new ATOM 1178 N VAL A 84 14.259 13.140 7.503 1.00 0.00 N ATOM 1179 CA VAL A 84 15.042 13.355 8.710 1.00 0.00 C ATOM 1180 C VAL A 84 15.197 14.846 8.959 1.00 0.00 C ATOM 1181 O VAL A 84 14.943 15.336 10.058 1.00 0.00 O ATOM 1182 CB VAL A 84 16.428 12.684 8.610 1.00 0.00 C ATOM 1183 CG1 VAL A 84 17.302 13.042 9.805 1.00 0.00 C ATOM 1184 CG2 VAL A 84 16.271 11.176 8.496 1.00 0.00 C ATOM 0 H VAL A 84 14.792 13.211 6.637 1.00 0.00 H new ATOM 0 HA VAL A 84 14.513 12.899 9.547 1.00 0.00 H new ATOM 0 HB VAL A 84 16.923 13.057 7.713 1.00 0.00 H new ATOM 0 HG11 VAL A 84 18.272 12.554 9.706 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.441 14.122 9.843 1.00 0.00 H new ATOM 0 HG13 VAL A 84 16.819 12.706 10.723 1.00 0.00 H new ATOM 0 HG21 VAL A 84 17.255 10.712 8.426 1.00 0.00 H new ATOM 0 HG22 VAL A 84 15.753 10.797 9.377 1.00 0.00 H new ATOM 0 HG23 VAL A 84 15.693 10.937 7.604 1.00 0.00 H new ATOM 1194 N MET A 85 15.499 15.576 7.895 1.00 0.00 N ATOM 1195 CA MET A 85 15.559 17.029 7.955 1.00 0.00 C ATOM 1196 C MET A 85 14.167 17.615 7.740 1.00 0.00 C ATOM 1197 O MET A 85 13.968 18.823 7.852 1.00 0.00 O ATOM 1198 CB MET A 85 16.518 17.569 6.895 1.00 0.00 C ATOM 1199 CG MET A 85 17.707 18.322 7.472 1.00 0.00 C ATOM 1200 SD MET A 85 17.818 20.024 6.878 1.00 0.00 S ATOM 1201 CE MET A 85 17.306 19.835 5.170 1.00 0.00 C ATOM 0 H MET A 85 15.707 15.184 6.977 1.00 0.00 H new ATOM 0 HA MET A 85 15.925 17.322 8.939 1.00 0.00 H new ATOM 0 HB2 MET A 85 16.884 16.738 6.292 1.00 0.00 H new ATOM 0 HB3 MET A 85 15.970 18.232 6.226 1.00 0.00 H new ATOM 0 HG2 MET A 85 17.635 18.326 8.560 1.00 0.00 H new ATOM 0 HG3 MET A 85 18.625 17.793 7.216 1.00 0.00 H new ATOM 0 HE1 MET A 85 17.682 20.672 4.583 1.00 0.00 H new ATOM 0 HE2 MET A 85 17.706 18.903 4.771 1.00 0.00 H new ATOM 0 HE3 MET A 85 16.218 19.815 5.117 1.00 0.00 H new ATOM 1211 N VAL A 86 13.215 16.724 7.442 1.00 0.00 N ATOM 1212 CA VAL A 86 11.811 17.080 7.218 1.00 0.00 C ATOM 1213 C VAL A 86 11.628 17.824 5.896 1.00 0.00 C ATOM 1214 O VAL A 86 12.193 18.899 5.684 1.00 0.00 O ATOM 1215 CB VAL A 86 11.219 17.910 8.380 1.00 0.00 C ATOM 1216 CG1 VAL A 86 9.747 18.209 8.134 1.00 0.00 C ATOM 1217 CG2 VAL A 86 11.398 17.180 9.704 1.00 0.00 C ATOM 0 H VAL A 86 13.400 15.725 7.349 1.00 0.00 H new ATOM 0 HA VAL A 86 11.263 16.139 7.171 1.00 0.00 H new ATOM 0 HB VAL A 86 11.757 18.856 8.430 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.351 18.794 8.964 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.640 18.774 7.208 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.194 17.273 8.053 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.975 17.780 10.510 1.00 0.00 H new ATOM 0 HG22 VAL A 86 10.887 16.218 9.661 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.460 17.019 9.890 1.00 0.00 H new ATOM 1227 N VAL A 87 10.876 17.212 4.990 1.00 0.00 N ATOM 1228 CA VAL A 87 10.655 17.777 3.666 1.00 0.00 C ATOM 1229 C VAL A 87 9.880 19.097 3.744 1.00 0.00 C ATOM 1230 O VAL A 87 8.770 19.161 4.288 1.00 0.00 O ATOM 1231 CB VAL A 87 9.919 16.781 2.733 1.00 0.00 C ATOM 1232 CG1 VAL A 87 8.617 16.292 3.355 1.00 0.00 C ATOM 1233 CG2 VAL A 87 9.666 17.405 1.367 1.00 0.00 C ATOM 0 H VAL A 87 10.407 16.320 5.150 1.00 0.00 H new ATOM 0 HA VAL A 87 11.638 17.978 3.241 1.00 0.00 H new ATOM 0 HB VAL A 87 10.566 15.914 2.599 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.127 15.596 2.674 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.831 15.788 4.298 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.960 17.142 3.539 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.149 16.688 0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 87 9.051 18.297 1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 87 10.617 17.677 0.909 1.00 0.00 H new ATOM 1243 N GLY A 88 10.497 20.156 3.237 1.00 0.00 N ATOM 1244 CA GLY A 88 9.878 21.465 3.256 1.00 0.00 C ATOM 1245 C GLY A 88 8.811 21.609 2.188 1.00 0.00 C ATOM 1246 O GLY A 88 9.075 22.112 1.098 1.00 0.00 O ATOM 0 H GLY A 88 11.423 20.130 2.810 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.435 21.641 4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.642 22.229 3.109 1.00 0.00 H new ATOM 1250 N GLU A 89 7.615 21.139 2.495 1.00 0.00 N ATOM 1251 CA GLU A 89 6.500 21.197 1.566 1.00 0.00 C ATOM 1252 C GLU A 89 5.203 21.427 2.333 1.00 0.00 C ATOM 1253 O GLU A 89 4.968 20.788 3.360 1.00 0.00 O ATOM 1254 CB GLU A 89 6.413 19.894 0.766 1.00 0.00 C ATOM 1255 CG GLU A 89 6.189 20.105 -0.722 1.00 0.00 C ATOM 1256 CD GLU A 89 4.720 20.160 -1.091 1.00 0.00 C ATOM 1257 OE1 GLU A 89 3.875 19.765 -0.261 1.00 0.00 O ATOM 1258 OE2 GLU A 89 4.399 20.612 -2.208 1.00 0.00 O ATOM 0 H GLU A 89 7.390 20.708 3.392 1.00 0.00 H new ATOM 0 HA GLU A 89 6.656 22.024 0.873 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.333 19.328 0.909 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.600 19.287 1.164 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.672 21.033 -1.030 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.668 19.297 -1.275 1.00 0.00 H new ATOM 1265 N PRO A 90 4.373 22.384 1.878 1.00 0.00 N ATOM 1266 CA PRO A 90 3.116 22.754 2.554 1.00 0.00 C ATOM 1267 C PRO A 90 2.137 21.586 2.677 1.00 0.00 C ATOM 1268 O PRO A 90 1.286 21.565 3.570 1.00 0.00 O ATOM 1269 CB PRO A 90 2.525 23.853 1.658 1.00 0.00 C ATOM 1270 CG PRO A 90 3.268 23.762 0.366 1.00 0.00 C ATOM 1271 CD PRO A 90 4.631 23.242 0.711 1.00 0.00 C ATOM 0 HA PRO A 90 3.300 23.074 3.580 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.456 23.702 1.507 1.00 0.00 H new ATOM 0 HB3 PRO A 90 2.647 24.836 2.112 1.00 0.00 H new ATOM 0 HG2 PRO A 90 2.760 23.095 -0.330 1.00 0.00 H new ATOM 0 HG3 PRO A 90 3.333 24.737 -0.117 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.069 22.680 -0.114 1.00 0.00 H new ATOM 0 HD3 PRO A 90 5.323 24.050 0.949 1.00 0.00 H new ATOM 1279 N THR A 91 2.263 20.612 1.790 1.00 0.00 N ATOM 1280 CA THR A 91 1.410 19.435 1.822 1.00 0.00 C ATOM 1281 C THR A 91 2.248 18.192 2.080 1.00 0.00 C ATOM 1282 O THR A 91 1.762 17.064 1.969 1.00 0.00 O ATOM 1283 CB THR A 91 0.649 19.268 0.494 1.00 0.00 C ATOM 1284 OG1 THR A 91 1.261 20.079 -0.520 1.00 0.00 O ATOM 1285 CG2 THR A 91 -0.811 19.658 0.652 1.00 0.00 C ATOM 0 H THR A 91 2.950 20.614 1.036 1.00 0.00 H new ATOM 0 HA THR A 91 0.686 19.566 2.626 1.00 0.00 H new ATOM 0 HB THR A 91 0.694 18.219 0.201 1.00 0.00 H new ATOM 0 HG1 THR A 91 2.182 19.778 -0.668 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.327 19.531 -0.300 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.278 19.023 1.405 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.877 20.700 0.965 1.00 0.00 H new ATOM 1293 N LEU A 92 3.532 18.422 2.358 1.00 0.00 N ATOM 1294 CA LEU A 92 4.506 17.353 2.563 1.00 0.00 C ATOM 1295 C LEU A 92 4.583 16.448 1.337 1.00 0.00 C ATOM 1296 O LEU A 92 4.950 15.279 1.436 1.00 0.00 O ATOM 1297 CB LEU A 92 4.164 16.538 3.813 1.00 0.00 C ATOM 1298 CG LEU A 92 4.465 17.238 5.140 1.00 0.00 C ATOM 1299 CD1 LEU A 92 3.177 17.637 5.839 1.00 0.00 C ATOM 1300 CD2 LEU A 92 5.303 16.340 6.037 1.00 0.00 C ATOM 0 H LEU A 92 3.925 19.359 2.447 1.00 0.00 H new ATOM 0 HA LEU A 92 5.484 17.811 2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.104 16.284 3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.718 15.600 3.780 1.00 0.00 H new ATOM 0 HG LEU A 92 5.034 18.143 4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.413 18.133 6.780 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.613 18.318 5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.580 16.747 6.037 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.508 16.853 6.976 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.759 15.417 6.239 1.00 0.00 H new ATOM 0 HD23 LEU A 92 6.244 16.105 5.539 1.00 0.00 H new ATOM 1312 N MET A 93 4.253 17.001 0.178 1.00 0.00 N ATOM 1313 CA MET A 93 4.266 16.244 -1.062 1.00 0.00 C ATOM 1314 C MET A 93 5.606 16.392 -1.766 1.00 0.00 C ATOM 1315 O MET A 93 5.689 16.935 -2.867 1.00 0.00 O ATOM 1316 CB MET A 93 3.135 16.707 -1.983 1.00 0.00 C ATOM 1317 CG MET A 93 2.313 15.566 -2.560 1.00 0.00 C ATOM 1318 SD MET A 93 3.306 14.404 -3.522 1.00 0.00 S ATOM 1319 CE MET A 93 2.123 13.903 -4.772 1.00 0.00 C ATOM 0 H MET A 93 3.972 17.976 0.073 1.00 0.00 H new ATOM 0 HA MET A 93 4.114 15.192 -0.821 1.00 0.00 H new ATOM 0 HB2 MET A 93 2.476 17.374 -1.427 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.560 17.288 -2.802 1.00 0.00 H new ATOM 0 HG2 MET A 93 1.822 15.031 -1.747 1.00 0.00 H new ATOM 0 HG3 MET A 93 1.526 15.975 -3.193 1.00 0.00 H new ATOM 0 HE1 MET A 93 2.588 13.183 -5.446 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.259 13.444 -4.292 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.802 14.776 -5.340 1.00 0.00 H new ATOM 1329 N GLY A 94 6.647 15.894 -1.125 1.00 0.00 N ATOM 1330 CA GLY A 94 7.968 15.941 -1.705 1.00 0.00 C ATOM 1331 C GLY A 94 8.571 14.561 -1.818 1.00 0.00 C ATOM 1332 O GLY A 94 8.269 13.685 -1.008 1.00 0.00 O ATOM 0 H GLY A 94 6.600 15.455 -0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 94 7.917 16.399 -2.693 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.613 16.572 -1.094 1.00 0.00 H new ATOM 1336 N GLY A 95 9.393 14.355 -2.834 1.00 0.00 N ATOM 1337 CA GLY A 95 10.001 13.062 -3.045 1.00 0.00 C ATOM 1338 C GLY A 95 11.417 13.189 -3.545 1.00 0.00 C ATOM 1339 O GLY A 95 11.706 12.901 -4.706 1.00 0.00 O ATOM 0 H GLY A 95 9.650 15.065 -3.519 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.993 12.499 -2.112 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.410 12.495 -3.764 1.00 0.00 H new ATOM 1343 N GLU A 96 12.299 13.648 -2.672 1.00 0.00 N ATOM 1344 CA GLU A 96 13.701 13.802 -3.015 1.00 0.00 C ATOM 1345 C GLU A 96 14.366 12.437 -3.081 1.00 0.00 C ATOM 1346 O GLU A 96 14.373 11.704 -2.098 1.00 0.00 O ATOM 1347 CB GLU A 96 14.402 14.690 -1.985 1.00 0.00 C ATOM 1348 CG GLU A 96 15.914 14.690 -2.097 1.00 0.00 C ATOM 1349 CD GLU A 96 16.596 13.780 -1.096 1.00 0.00 C ATOM 1350 OE1 GLU A 96 16.272 13.859 0.104 1.00 0.00 O ATOM 1351 OE2 GLU A 96 17.495 13.012 -1.510 1.00 0.00 O ATOM 0 H GLU A 96 12.066 13.921 -1.717 1.00 0.00 H new ATOM 0 HA GLU A 96 13.780 14.280 -3.991 1.00 0.00 H new ATOM 0 HB2 GLU A 96 14.040 15.712 -2.095 1.00 0.00 H new ATOM 0 HB3 GLU A 96 14.122 14.359 -0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 96 16.195 14.384 -3.105 1.00 0.00 H new ATOM 0 HG3 GLU A 96 16.280 15.707 -1.959 1.00 0.00 H new ATOM 1358 N PHE A 97 14.841 12.068 -4.262 1.00 0.00 N ATOM 1359 CA PHE A 97 15.423 10.753 -4.464 1.00 0.00 C ATOM 1360 C PHE A 97 16.179 10.689 -5.786 1.00 0.00 C ATOM 1361 O PHE A 97 16.091 11.601 -6.607 1.00 0.00 O ATOM 1362 CB PHE A 97 14.320 9.684 -4.424 1.00 0.00 C ATOM 1363 CG PHE A 97 13.687 9.374 -5.757 1.00 0.00 C ATOM 1364 CD1 PHE A 97 13.123 10.380 -6.531 1.00 0.00 C ATOM 1365 CD2 PHE A 97 13.652 8.073 -6.229 1.00 0.00 C ATOM 1366 CE1 PHE A 97 12.543 10.091 -7.751 1.00 0.00 C ATOM 1367 CE2 PHE A 97 13.070 7.779 -7.450 1.00 0.00 C ATOM 1368 CZ PHE A 97 12.516 8.790 -8.211 1.00 0.00 C ATOM 0 H PHE A 97 14.834 12.661 -5.092 1.00 0.00 H new ATOM 0 HA PHE A 97 16.135 10.561 -3.661 1.00 0.00 H new ATOM 0 HB2 PHE A 97 14.740 8.765 -4.015 1.00 0.00 H new ATOM 0 HB3 PHE A 97 13.541 10.012 -3.736 1.00 0.00 H new ATOM 0 HD1 PHE A 97 13.138 11.400 -6.175 1.00 0.00 H new ATOM 0 HD2 PHE A 97 14.084 7.279 -5.638 1.00 0.00 H new ATOM 0 HE1 PHE A 97 12.111 10.883 -8.345 1.00 0.00 H new ATOM 0 HE2 PHE A 97 13.049 6.760 -7.807 1.00 0.00 H new ATOM 0 HZ PHE A 97 12.062 8.563 -9.164 1.00 0.00 H new ATOM 1378 N GLY A 98 16.855 9.575 -6.006 1.00 0.00 N ATOM 1379 CA GLY A 98 17.521 9.336 -7.270 1.00 0.00 C ATOM 1380 C GLY A 98 17.403 7.884 -7.672 1.00 0.00 C ATOM 1381 O GLY A 98 18.071 7.420 -8.595 1.00 0.00 O ATOM 0 H GLY A 98 16.956 8.823 -5.324 1.00 0.00 H new ATOM 0 HA2 GLY A 98 17.083 9.969 -8.042 1.00 0.00 H new ATOM 0 HA3 GLY A 98 18.573 9.612 -7.190 1.00 0.00 H new ATOM 1385 N ASP A 99 16.584 7.157 -6.924 1.00 0.00 N ATOM 1386 CA ASP A 99 16.422 5.725 -7.118 1.00 0.00 C ATOM 1387 C ASP A 99 15.392 5.423 -8.202 1.00 0.00 C ATOM 1388 O ASP A 99 15.424 6.018 -9.281 1.00 0.00 O ATOM 1389 CB ASP A 99 16.019 5.048 -5.804 1.00 0.00 C ATOM 1390 CG ASP A 99 16.519 5.793 -4.584 1.00 0.00 C ATOM 1391 OD1 ASP A 99 17.646 5.510 -4.133 1.00 0.00 O ATOM 1392 OD2 ASP A 99 15.781 6.671 -4.081 1.00 0.00 O ATOM 0 H ASP A 99 16.016 7.542 -6.169 1.00 0.00 H new ATOM 0 HA ASP A 99 17.382 5.324 -7.444 1.00 0.00 H new ATOM 0 HB2 ASP A 99 14.933 4.972 -5.758 1.00 0.00 H new ATOM 0 HB3 ASP A 99 16.411 4.031 -5.789 1.00 0.00 H new ATOM 1397 N GLU A 100 14.592 4.387 -7.979 1.00 0.00 N ATOM 1398 CA GLU A 100 13.707 3.881 -9.019 1.00 0.00 C ATOM 1399 C GLU A 100 12.246 4.314 -8.862 1.00 0.00 C ATOM 1400 O GLU A 100 11.600 4.639 -9.858 1.00 0.00 O ATOM 1401 CB GLU A 100 13.796 2.355 -9.074 1.00 0.00 C ATOM 1402 CG GLU A 100 14.997 1.849 -9.853 1.00 0.00 C ATOM 1403 CD GLU A 100 15.793 0.812 -9.089 1.00 0.00 C ATOM 1404 OE1 GLU A 100 15.297 -0.321 -8.920 1.00 0.00 O ATOM 1405 OE2 GLU A 100 16.924 1.115 -8.661 1.00 0.00 O ATOM 0 H GLU A 100 14.538 3.884 -7.093 1.00 0.00 H new ATOM 0 HA GLU A 100 14.052 4.321 -9.954 1.00 0.00 H new ATOM 0 HB2 GLU A 100 13.841 1.964 -8.057 1.00 0.00 H new ATOM 0 HB3 GLU A 100 12.886 1.961 -9.527 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.659 1.419 -10.796 1.00 0.00 H new ATOM 0 HG3 GLU A 100 15.645 2.690 -10.100 1.00 0.00 H new ATOM 1412 N ASP A 101 11.656 4.087 -7.689 1.00 0.00 N ATOM 1413 CA ASP A 101 10.200 4.183 -7.573 1.00 0.00 C ATOM 1414 C ASP A 101 9.733 4.667 -6.203 1.00 0.00 C ATOM 1415 O ASP A 101 9.344 3.861 -5.359 1.00 0.00 O ATOM 1416 CB ASP A 101 9.591 2.807 -7.829 1.00 0.00 C ATOM 1417 CG ASP A 101 8.080 2.840 -7.942 1.00 0.00 C ATOM 1418 OD1 ASP A 101 7.544 3.783 -8.563 1.00 0.00 O ATOM 1419 OD2 ASP A 101 7.418 1.910 -7.428 1.00 0.00 O ATOM 0 H ASP A 101 12.146 3.842 -6.828 1.00 0.00 H new ATOM 0 HA ASP A 101 9.872 4.918 -8.309 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.010 2.396 -8.747 1.00 0.00 H new ATOM 0 HB3 ASP A 101 9.875 2.134 -7.020 1.00 0.00 H new ATOM 1424 N GLU A 102 9.617 5.972 -6.044 1.00 0.00 N ATOM 1425 CA GLU A 102 8.984 6.527 -4.851 1.00 0.00 C ATOM 1426 C GLU A 102 7.553 6.976 -5.162 1.00 0.00 C ATOM 1427 O GLU A 102 7.010 6.651 -6.220 1.00 0.00 O ATOM 1428 CB GLU A 102 9.795 7.695 -4.283 1.00 0.00 C ATOM 1429 CG GLU A 102 10.308 8.661 -5.334 1.00 0.00 C ATOM 1430 CD GLU A 102 9.328 9.773 -5.647 1.00 0.00 C ATOM 1431 OE1 GLU A 102 8.747 10.342 -4.704 1.00 0.00 O ATOM 1432 OE2 GLU A 102 9.134 10.081 -6.843 1.00 0.00 O ATOM 0 H GLU A 102 9.947 6.666 -6.715 1.00 0.00 H new ATOM 0 HA GLU A 102 8.950 5.741 -4.096 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.175 8.243 -3.573 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.643 7.297 -3.725 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.246 9.097 -4.991 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.528 8.110 -6.249 1.00 0.00 H new ATOM 1439 N ARG A 103 7.011 7.826 -4.287 1.00 0.00 N ATOM 1440 CA ARG A 103 5.698 8.449 -4.479 1.00 0.00 C ATOM 1441 C ARG A 103 4.627 7.448 -4.912 1.00 0.00 C ATOM 1442 O ARG A 103 3.793 7.748 -5.766 1.00 0.00 O ATOM 1443 CB ARG A 103 5.783 9.588 -5.495 1.00 0.00 C ATOM 1444 CG ARG A 103 5.012 10.829 -5.076 1.00 0.00 C ATOM 1445 CD ARG A 103 5.829 11.704 -4.139 1.00 0.00 C ATOM 1446 NE ARG A 103 5.922 13.077 -4.623 1.00 0.00 N ATOM 1447 CZ ARG A 103 6.929 13.534 -5.362 1.00 0.00 C ATOM 1448 NH1 ARG A 103 7.979 12.762 -5.612 1.00 0.00 N ATOM 1449 NH2 ARG A 103 6.900 14.774 -5.828 1.00 0.00 N ATOM 0 H ARG A 103 7.472 8.103 -3.421 1.00 0.00 H new ATOM 0 HA ARG A 103 5.400 8.847 -3.509 1.00 0.00 H new ATOM 0 HB2 ARG A 103 6.829 9.853 -5.646 1.00 0.00 H new ATOM 0 HB3 ARG A 103 5.401 9.239 -6.454 1.00 0.00 H new ATOM 0 HG2 ARG A 103 4.735 11.402 -5.961 1.00 0.00 H new ATOM 0 HG3 ARG A 103 4.085 10.534 -4.584 1.00 0.00 H new ATOM 0 HD2 ARG A 103 5.375 11.698 -3.148 1.00 0.00 H new ATOM 0 HD3 ARG A 103 6.831 11.287 -4.033 1.00 0.00 H new ATOM 0 HE ARG A 103 5.171 13.724 -4.381 1.00 0.00 H new ATOM 0 HH11 ARG A 103 8.016 11.814 -5.237 1.00 0.00 H new ATOM 0 HH12 ARG A 103 8.749 13.116 -6.179 1.00 0.00 H new ATOM 0 HH21 ARG A 103 6.105 15.379 -5.620 1.00 0.00 H new ATOM 0 HH22 ARG A 103 7.672 15.124 -6.395 1.00 0.00 H new ATOM 1463 N LEU A 104 4.571 6.313 -4.232 1.00 0.00 N ATOM 1464 CA LEU A 104 3.519 5.332 -4.471 1.00 0.00 C ATOM 1465 C LEU A 104 2.271 5.725 -3.678 1.00 0.00 C ATOM 1466 O LEU A 104 1.243 5.053 -3.721 1.00 0.00 O ATOM 1467 CB LEU A 104 4.008 3.935 -4.067 1.00 0.00 C ATOM 1468 CG LEU A 104 3.078 2.776 -4.424 1.00 0.00 C ATOM 1469 CD1 LEU A 104 3.142 2.478 -5.911 1.00 0.00 C ATOM 1470 CD2 LEU A 104 3.444 1.543 -3.617 1.00 0.00 C ATOM 0 H LEU A 104 5.241 6.047 -3.510 1.00 0.00 H new ATOM 0 HA LEU A 104 3.267 5.311 -5.531 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.975 3.759 -4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.172 3.926 -2.989 1.00 0.00 H new ATOM 0 HG LEU A 104 2.056 3.063 -4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.473 1.650 -6.145 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.837 3.361 -6.472 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.162 2.209 -6.185 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.775 0.724 -3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.472 1.256 -3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.348 1.763 -2.554 1.00 0.00 H new ATOM 1482 N ILE A 105 2.386 6.832 -2.953 1.00 0.00 N ATOM 1483 CA ILE A 105 1.302 7.341 -2.128 1.00 0.00 C ATOM 1484 C ILE A 105 0.226 8.021 -2.968 1.00 0.00 C ATOM 1485 O ILE A 105 0.291 9.223 -3.233 1.00 0.00 O ATOM 1486 CB ILE A 105 1.821 8.348 -1.080 1.00 0.00 C ATOM 1487 CG1 ILE A 105 3.011 7.753 -0.313 1.00 0.00 C ATOM 1488 CG2 ILE A 105 0.696 8.768 -0.138 1.00 0.00 C ATOM 1489 CD1 ILE A 105 2.823 7.657 1.186 1.00 0.00 C ATOM 0 H ILE A 105 3.233 7.400 -2.922 1.00 0.00 H new ATOM 0 HA ILE A 105 0.868 6.478 -1.622 1.00 0.00 H new ATOM 0 HB ILE A 105 2.171 9.244 -1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 105 3.213 6.756 -0.703 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.894 8.359 -0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.081 9.478 0.594 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -0.104 9.236 -0.712 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.307 7.890 0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.716 7.225 1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.654 8.653 1.596 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.963 7.024 1.405 1.00 0.00 H new ATOM 1500 N THR A 106 -0.830 7.281 -3.246 1.00 0.00 N ATOM 1501 CA THR A 106 -2.002 7.838 -3.883 1.00 0.00 C ATOM 1502 C THR A 106 -3.080 8.018 -2.831 1.00 0.00 C ATOM 1503 O THR A 106 -3.359 7.098 -2.067 1.00 0.00 O ATOM 1504 CB THR A 106 -2.512 6.913 -5.001 1.00 0.00 C ATOM 1505 OG1 THR A 106 -1.401 6.255 -5.628 1.00 0.00 O ATOM 1506 CG2 THR A 106 -3.309 7.685 -6.038 1.00 0.00 C ATOM 0 H THR A 106 -0.898 6.285 -3.038 1.00 0.00 H new ATOM 0 HA THR A 106 -1.746 8.797 -4.333 1.00 0.00 H new ATOM 0 HB THR A 106 -3.174 6.171 -4.554 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.138 5.477 -5.094 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.655 7.002 -6.814 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.168 8.156 -5.560 1.00 0.00 H new ATOM 0 HG23 THR A 106 -2.677 8.452 -6.485 1.00 0.00 H new ATOM 1514 N ARG A 107 -3.553 9.234 -2.658 1.00 0.00 N ATOM 1515 CA ARG A 107 -4.481 9.512 -1.577 1.00 0.00 C ATOM 1516 C ARG A 107 -5.642 10.370 -2.048 1.00 0.00 C ATOM 1517 O ARG A 107 -5.466 11.333 -2.792 1.00 0.00 O ATOM 1518 CB ARG A 107 -3.760 10.183 -0.406 1.00 0.00 C ATOM 1519 CG ARG A 107 -3.161 11.534 -0.748 1.00 0.00 C ATOM 1520 CD ARG A 107 -3.440 12.550 0.344 1.00 0.00 C ATOM 1521 NE ARG A 107 -2.307 12.693 1.255 1.00 0.00 N ATOM 1522 CZ ARG A 107 -2.420 12.982 2.550 1.00 0.00 C ATOM 1523 NH1 ARG A 107 -3.613 13.256 3.071 1.00 0.00 N ATOM 1524 NH2 ARG A 107 -1.338 13.025 3.317 1.00 0.00 N ATOM 0 H ARG A 107 -3.316 10.037 -3.241 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.887 8.559 -1.237 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.462 10.306 0.418 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -2.967 9.523 -0.054 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -2.085 11.433 -0.888 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -3.573 11.889 -1.693 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -3.667 13.516 -0.108 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -4.323 12.246 0.907 1.00 0.00 H new ATOM 0 HE ARG A 107 -1.369 12.563 0.875 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -4.443 13.245 2.478 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -3.698 13.477 4.063 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -0.420 12.837 2.915 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -1.424 13.246 4.309 1.00 0.00 H new ATOM 1538 N LEU A 108 -6.822 10.033 -1.570 1.00 0.00 N ATOM 1539 CA LEU A 108 -8.020 10.789 -1.874 1.00 0.00 C ATOM 1540 C LEU A 108 -8.931 10.777 -0.664 1.00 0.00 C ATOM 1541 O LEU A 108 -9.509 9.744 -0.324 1.00 0.00 O ATOM 1542 CB LEU A 108 -8.743 10.207 -3.092 1.00 0.00 C ATOM 1543 CG LEU A 108 -9.033 11.207 -4.211 1.00 0.00 C ATOM 1544 CD1 LEU A 108 -7.881 11.250 -5.202 1.00 0.00 C ATOM 1545 CD2 LEU A 108 -10.332 10.850 -4.915 1.00 0.00 C ATOM 0 H LEU A 108 -6.978 9.229 -0.961 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.742 11.815 -2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -8.141 9.394 -3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.686 9.771 -2.762 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.140 12.198 -3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -8.106 11.968 -5.991 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.969 11.552 -4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -7.741 10.262 -5.640 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -10.525 11.571 -5.709 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.251 9.851 -5.343 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.152 10.872 -4.198 1.00 0.00 H new ATOM 1557 N GLU A 109 -8.961 11.893 0.045 1.00 0.00 N ATOM 1558 CA GLU A 109 -9.734 11.998 1.271 1.00 0.00 C ATOM 1559 C GLU A 109 -11.221 12.080 0.954 1.00 0.00 C ATOM 1560 O GLU A 109 -11.608 12.449 -0.156 1.00 0.00 O ATOM 1561 CB GLU A 109 -9.290 13.224 2.075 1.00 0.00 C ATOM 1562 CG GLU A 109 -7.998 13.008 2.848 1.00 0.00 C ATOM 1563 CD GLU A 109 -7.046 14.183 2.745 1.00 0.00 C ATOM 1564 OE1 GLU A 109 -7.275 15.202 3.431 1.00 0.00 O ATOM 1565 OE2 GLU A 109 -6.057 14.089 1.988 1.00 0.00 O ATOM 0 H GLU A 109 -8.457 12.742 -0.209 1.00 0.00 H new ATOM 0 HA GLU A 109 -9.557 11.106 1.872 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.161 14.067 1.396 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.081 13.496 2.774 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -8.234 12.829 3.897 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.503 12.112 2.475 1.00 0.00 H new ATOM 1572 N ASN A 110 -12.045 11.659 1.900 1.00 0.00 N ATOM 1573 CA ASN A 110 -13.487 11.611 1.687 1.00 0.00 C ATOM 1574 C ASN A 110 -14.067 13.007 1.483 1.00 0.00 C ATOM 1575 O ASN A 110 -14.940 13.209 0.638 1.00 0.00 O ATOM 1576 CB ASN A 110 -14.182 10.941 2.877 1.00 0.00 C ATOM 1577 CG ASN A 110 -15.662 10.706 2.632 1.00 0.00 C ATOM 1578 OD1 ASN A 110 -16.054 9.671 2.098 1.00 0.00 O ATOM 1579 ND2 ASN A 110 -16.496 11.654 3.040 1.00 0.00 N ATOM 0 H ASN A 110 -11.743 11.345 2.822 1.00 0.00 H new ATOM 0 HA ASN A 110 -13.664 11.026 0.784 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -13.696 9.988 3.087 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -14.059 11.564 3.763 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -17.501 11.537 2.914 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -16.132 12.499 3.479 1.00 0.00 H new ATOM 1586 N THR A 111 -13.666 13.936 2.338 1.00 0.00 N ATOM 1587 CA THR A 111 -14.272 15.257 2.355 1.00 0.00 C ATOM 1588 C THR A 111 -13.236 16.372 2.185 1.00 0.00 C ATOM 1589 O THR A 111 -13.190 17.310 2.981 1.00 0.00 O ATOM 1590 CB THR A 111 -15.036 15.458 3.681 1.00 0.00 C ATOM 1591 OG1 THR A 111 -14.634 14.450 4.621 1.00 0.00 O ATOM 1592 CG2 THR A 111 -16.539 15.373 3.470 1.00 0.00 C ATOM 0 H THR A 111 -12.926 13.799 3.027 1.00 0.00 H new ATOM 0 HA THR A 111 -14.958 15.315 1.510 1.00 0.00 H new ATOM 0 HB THR A 111 -14.797 16.450 4.064 1.00 0.00 H new ATOM 0 HG1 THR A 111 -15.117 14.578 5.464 1.00 0.00 H new ATOM 0 HG21 THR A 111 -17.049 15.519 4.422 1.00 0.00 H new ATOM 0 HG22 THR A 111 -16.852 16.146 2.769 1.00 0.00 H new ATOM 0 HG23 THR A 111 -16.795 14.393 3.067 1.00 0.00 H new ATOM 1600 N GLN A 112 -12.439 16.301 1.123 1.00 0.00 N ATOM 1601 CA GLN A 112 -11.451 17.347 0.850 1.00 0.00 C ATOM 1602 C GLN A 112 -12.127 18.561 0.221 1.00 0.00 C ATOM 1603 O GLN A 112 -12.323 19.582 0.876 1.00 0.00 O ATOM 1604 CB GLN A 112 -10.326 16.844 -0.065 1.00 0.00 C ATOM 1605 CG GLN A 112 -10.445 15.384 -0.462 1.00 0.00 C ATOM 1606 CD GLN A 112 -11.160 15.196 -1.783 1.00 0.00 C ATOM 1607 OE1 GLN A 112 -12.275 15.682 -1.971 1.00 0.00 O ATOM 1608 NE2 GLN A 112 -10.522 14.492 -2.704 1.00 0.00 N ATOM 0 H GLN A 112 -12.454 15.541 0.443 1.00 0.00 H new ATOM 0 HA GLN A 112 -11.005 17.632 1.803 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -10.310 17.453 -0.969 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -9.371 16.994 0.438 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -9.449 14.947 -0.527 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -10.981 14.842 0.317 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -9.599 14.108 -2.504 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -10.954 14.333 -3.614 1.00 0.00 H new ATOM 1617 N PHE A 113 -12.598 18.399 -1.010 1.00 0.00 N ATOM 1618 CA PHE A 113 -13.357 19.449 -1.681 1.00 0.00 C ATOM 1619 C PHE A 113 -14.822 19.351 -1.280 1.00 0.00 C ATOM 1620 O PHE A 113 -15.698 19.114 -2.111 1.00 0.00 O ATOM 1621 CB PHE A 113 -13.216 19.336 -3.203 1.00 0.00 C ATOM 1622 CG PHE A 113 -11.812 19.073 -3.672 1.00 0.00 C ATOM 1623 CD1 PHE A 113 -10.798 19.985 -3.421 1.00 0.00 C ATOM 1624 CD2 PHE A 113 -11.508 17.914 -4.367 1.00 0.00 C ATOM 1625 CE1 PHE A 113 -9.509 19.744 -3.854 1.00 0.00 C ATOM 1626 CE2 PHE A 113 -10.221 17.668 -4.802 1.00 0.00 C ATOM 1627 CZ PHE A 113 -9.219 18.584 -4.547 1.00 0.00 C ATOM 0 H PHE A 113 -12.468 17.552 -1.564 1.00 0.00 H new ATOM 0 HA PHE A 113 -12.961 20.418 -1.376 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -13.863 18.534 -3.558 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -13.573 20.259 -3.660 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -11.019 20.894 -2.881 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -12.287 17.194 -4.571 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -8.728 20.462 -3.651 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -9.998 16.759 -5.342 1.00 0.00 H new ATOM 0 HZ PHE A 113 -8.212 18.394 -4.888 1.00 0.00 H new ATOM 1637 N ASP A 114 -15.060 19.404 0.018 1.00 0.00 N ATOM 1638 CA ASP A 114 -16.391 19.191 0.562 1.00 0.00 C ATOM 1639 C ASP A 114 -16.639 20.130 1.733 1.00 0.00 C ATOM 1640 O ASP A 114 -15.897 21.084 1.932 1.00 0.00 O ATOM 1641 CB ASP A 114 -16.531 17.735 1.009 1.00 0.00 C ATOM 1642 CG ASP A 114 -17.949 17.209 0.894 1.00 0.00 C ATOM 1643 OD1 ASP A 114 -18.817 17.671 1.657 1.00 0.00 O ATOM 1644 OD2 ASP A 114 -18.188 16.308 0.066 1.00 0.00 O ATOM 0 H ASP A 114 -14.345 19.594 0.720 1.00 0.00 H new ATOM 0 HA ASP A 114 -17.132 19.402 -0.209 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -15.869 17.112 0.408 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -16.200 17.646 2.044 1.00 0.00 H new ATOM 1649 N ALA A 115 -17.673 19.844 2.512 1.00 0.00 N ATOM 1650 CA ALA A 115 -18.052 20.670 3.653 1.00 0.00 C ATOM 1651 C ALA A 115 -16.935 20.777 4.690 1.00 0.00 C ATOM 1652 O ALA A 115 -16.939 21.682 5.524 1.00 0.00 O ATOM 1653 CB ALA A 115 -19.306 20.110 4.300 1.00 0.00 C ATOM 0 H ALA A 115 -18.274 19.032 2.372 1.00 0.00 H new ATOM 0 HA ALA A 115 -18.244 21.675 3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -19.584 20.731 5.152 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -20.119 20.105 3.574 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -19.116 19.092 4.640 1.00 0.00 H new ATOM 1659 N ALA A 116 -15.990 19.848 4.646 1.00 0.00 N ATOM 1660 CA ALA A 116 -14.881 19.844 5.592 1.00 0.00 C ATOM 1661 C ALA A 116 -13.774 20.803 5.160 1.00 0.00 C ATOM 1662 O ALA A 116 -12.840 21.066 5.919 1.00 0.00 O ATOM 1663 CB ALA A 116 -14.330 18.436 5.756 1.00 0.00 C ATOM 0 H ALA A 116 -15.968 19.088 3.966 1.00 0.00 H new ATOM 0 HA ALA A 116 -15.262 20.188 6.554 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -13.503 18.449 6.465 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -15.116 17.779 6.128 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -13.976 18.069 4.793 1.00 0.00 H new ATOM 1669 N ASN A 117 -13.904 21.349 3.953 1.00 0.00 N ATOM 1670 CA ASN A 117 -12.937 22.309 3.425 1.00 0.00 C ATOM 1671 C ASN A 117 -13.446 22.900 2.113 1.00 0.00 C ATOM 1672 O ASN A 117 -12.864 22.678 1.049 1.00 0.00 O ATOM 1673 CB ASN A 117 -11.572 21.648 3.200 1.00 0.00 C ATOM 1674 CG ASN A 117 -10.430 22.641 3.296 1.00 0.00 C ATOM 1675 OD1 ASN A 117 -10.164 23.194 4.362 1.00 0.00 O ATOM 1676 ND2 ASN A 117 -9.749 22.875 2.187 1.00 0.00 N ATOM 0 H ASN A 117 -14.675 21.141 3.318 1.00 0.00 H new ATOM 0 HA ASN A 117 -12.818 23.106 4.159 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -11.427 20.858 3.937 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -11.557 21.174 2.218 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -8.971 23.535 2.196 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -10.001 22.396 1.323 1.00 0.00 H new ATOM 1683 N GLY A 118 -14.576 23.586 2.180 1.00 0.00 N ATOM 1684 CA GLY A 118 -15.183 24.131 0.984 1.00 0.00 C ATOM 1685 C GLY A 118 -16.688 23.955 0.969 1.00 0.00 C ATOM 1686 O GLY A 118 -17.380 24.393 1.891 1.00 0.00 O ATOM 0 H GLY A 118 -15.085 23.776 3.043 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -14.943 25.192 0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -14.754 23.644 0.108 1.00 0.00 H new ATOM 1690 N ILE A 119 -17.208 23.345 -0.090 1.00 0.00 N ATOM 1691 CA ILE A 119 -18.650 23.149 -0.235 1.00 0.00 C ATOM 1692 C ILE A 119 -18.985 21.681 -0.486 1.00 0.00 C ATOM 1693 O ILE A 119 -18.278 20.992 -1.224 1.00 0.00 O ATOM 1694 CB ILE A 119 -19.229 23.988 -1.399 1.00 0.00 C ATOM 1695 CG1 ILE A 119 -18.451 25.296 -1.572 1.00 0.00 C ATOM 1696 CG2 ILE A 119 -20.704 24.278 -1.165 1.00 0.00 C ATOM 1697 CD1 ILE A 119 -17.869 25.475 -2.955 1.00 0.00 C ATOM 0 H ILE A 119 -16.654 22.976 -0.863 1.00 0.00 H new ATOM 0 HA ILE A 119 -19.100 23.476 0.702 1.00 0.00 H new ATOM 0 HB ILE A 119 -19.128 23.407 -2.316 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -19.113 26.134 -1.354 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -17.644 25.328 -0.840 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -21.095 24.869 -1.993 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -21.253 23.339 -1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -20.822 24.834 -0.235 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -17.332 26.422 -3.004 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -17.181 24.657 -3.169 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -18.673 25.475 -3.691 1.00 0.00 H new ATOM 1708 N ASP A 120 -20.118 21.240 0.052 1.00 0.00 N ATOM 1709 CA ASP A 120 -20.617 19.894 -0.210 1.00 0.00 C ATOM 1710 C ASP A 120 -21.329 19.876 -1.558 1.00 0.00 C ATOM 1711 O ASP A 120 -22.071 20.808 -1.875 1.00 0.00 O ATOM 1712 CB ASP A 120 -21.566 19.445 0.912 1.00 0.00 C ATOM 1713 CG ASP A 120 -22.579 18.404 0.462 1.00 0.00 C ATOM 1714 OD1 ASP A 120 -22.218 17.210 0.367 1.00 0.00 O ATOM 1715 OD2 ASP A 120 -23.749 18.771 0.229 1.00 0.00 O ATOM 0 H ASP A 120 -20.708 21.795 0.672 1.00 0.00 H new ATOM 0 HA ASP A 120 -19.780 19.197 -0.239 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -20.978 19.038 1.735 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -22.097 20.315 1.299 1.00 0.00 H new ATOM 1720 N ASP A 121 -20.986 18.897 -2.392 1.00 0.00 N ATOM 1721 CA ASP A 121 -21.483 18.828 -3.769 1.00 0.00 C ATOM 1722 C ASP A 121 -21.016 20.058 -4.551 1.00 0.00 C ATOM 1723 O ASP A 121 -19.813 20.259 -4.735 1.00 0.00 O ATOM 1724 CB ASP A 121 -23.017 18.707 -3.799 1.00 0.00 C ATOM 1725 CG ASP A 121 -23.545 18.201 -5.132 1.00 0.00 C ATOM 1726 OD1 ASP A 121 -23.060 17.159 -5.618 1.00 0.00 O ATOM 1727 OD2 ASP A 121 -24.458 18.840 -5.697 1.00 0.00 O ATOM 0 H ASP A 121 -20.360 18.133 -2.137 1.00 0.00 H new ATOM 0 HA ASP A 121 -21.075 17.935 -4.242 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -23.339 18.031 -3.007 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -23.457 19.681 -3.586 1.00 0.00 H new ATOM 1732 N GLU A 122 -21.951 20.942 -4.880 1.00 0.00 N ATOM 1733 CA GLU A 122 -21.629 22.207 -5.526 1.00 0.00 C ATOM 1734 C GLU A 122 -22.678 23.242 -5.149 1.00 0.00 C ATOM 1735 O GLU A 122 -23.830 22.835 -4.886 1.00 0.00 O ATOM 1736 CB GLU A 122 -21.573 22.045 -7.048 1.00 0.00 C ATOM 1737 CG GLU A 122 -20.179 21.750 -7.582 1.00 0.00 C ATOM 1738 CD GLU A 122 -19.456 22.994 -8.056 1.00 0.00 C ATOM 1739 OE1 GLU A 122 -19.767 23.485 -9.163 1.00 0.00 O ATOM 1740 OE2 GLU A 122 -18.558 23.478 -7.334 1.00 0.00 O ATOM 1741 OXT GLU A 122 -22.355 24.444 -5.091 1.00 0.00 O ATOM 0 H GLU A 122 -22.947 20.803 -4.708 1.00 0.00 H new ATOM 0 HA GLU A 122 -20.647 22.537 -5.186 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -22.244 21.238 -7.343 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -21.946 22.956 -7.515 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -19.590 21.269 -6.801 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -20.253 21.042 -8.407 1.00 0.00 H new TER 1748 GLU A 122 HETATM 1749 ZN ZN A 123 -5.622 -1.862 7.130 1.00 0.00 ZN HETATM 1750 ZN ZN A 124 11.966 1.459 7.099 1.00 0.00 ZN