USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 918 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 LYS NZ :NH3+ -107:sc= -0.103 (180deg=-2.07!) USER MOD Set 1.2: A 92 SER OG : rot 180:sc=0.000483 USER MOD Set 2.1: A 70 LYS NZ :NH3+ 163:sc=-0.00365 (180deg=0) USER MOD Set 2.2: A 95 GLN : amide:sc= -0.153 X(o=-0.16,f=-0.6) USER MOD Single : A 13 SER OG : rot 180:sc= 0.293 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -161:sc= -3.06! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 79:sc= -0.0137 USER MOD Single : A 35 ASN :FLIP amide:sc= -3.51! C(o=-4.1!,f=-3.5!) USER MOD Single : A 37 ASN :FLIP amide:sc=-0.00452 F(o=-0.91,f=-0.0045) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.0441) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -1.97 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 71 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.11) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -9.15! C(o=-13!,f=-9.2!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -105:sc= -0.732 (180deg=-3.91) USER MOD Single : A 82 THR OG1 : rot 87:sc= 1.32 USER MOD Single : A 84 HIS : no HD1:sc= -0.637 K(o=-0.64,f=-6.3!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.774 K(o=-0.77,f=-2.2!) USER MOD Single : A 101 TYR OH : rot -142:sc= -2.19 USER MOD Single : A 104 LYS NZ :NH3+ 154:sc= -0.104 (180deg=-0.47) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= -0.0852 X(o=-0.085,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 3 12.369 -13.218 0.893 1.00 0.00 N ATOM 38 CA ARG A 3 12.102 -12.410 -0.290 1.00 0.00 C ATOM 39 C ARG A 3 11.831 -10.960 0.078 1.00 0.00 C ATOM 40 O ARG A 3 12.543 -10.051 -0.355 1.00 0.00 O ATOM 41 CB ARG A 3 10.914 -12.983 -1.067 1.00 0.00 C ATOM 42 CG ARG A 3 10.954 -12.667 -2.554 1.00 0.00 C ATOM 43 CD ARG A 3 11.324 -13.891 -3.377 1.00 0.00 C ATOM 44 NE ARG A 3 12.240 -13.560 -4.465 1.00 0.00 N ATOM 45 CZ ARG A 3 11.851 -13.062 -5.636 1.00 0.00 C ATOM 46 NH1 ARG A 3 10.565 -12.838 -5.880 1.00 0.00 N ATOM 47 NH2 ARG A 3 12.753 -12.783 -6.566 1.00 0.00 N ATOM 0 HA ARG A 3 12.991 -12.439 -0.920 1.00 0.00 H new ATOM 0 HB2 ARG A 3 10.890 -14.065 -0.934 1.00 0.00 H new ATOM 0 HB3 ARG A 3 9.990 -12.589 -0.644 1.00 0.00 H new ATOM 0 HG2 ARG A 3 9.981 -12.294 -2.873 1.00 0.00 H new ATOM 0 HG3 ARG A 3 11.677 -11.872 -2.738 1.00 0.00 H new ATOM 0 HD2 ARG A 3 11.784 -14.638 -2.730 1.00 0.00 H new ATOM 0 HD3 ARG A 3 10.419 -14.339 -3.788 1.00 0.00 H new ATOM 0 HE ARG A 3 13.237 -13.720 -4.319 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.867 -13.048 -5.167 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.276 -12.456 -6.780 1.00 0.00 H new ATOM 0 HH21 ARG A 3 13.742 -12.950 -6.383 1.00 0.00 H new ATOM 0 HH22 ARG A 3 12.458 -12.401 -7.465 1.00 0.00 H new ATOM 61 N GLY A 4 10.800 -10.754 0.874 1.00 0.00 N ATOM 62 CA GLY A 4 10.439 -9.412 1.294 1.00 0.00 C ATOM 63 C GLY A 4 10.200 -8.483 0.118 1.00 0.00 C ATOM 64 O GLY A 4 11.104 -7.768 -0.311 1.00 0.00 O ATOM 0 H GLY A 4 10.200 -11.493 1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.539 -9.456 1.908 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.232 -9.004 1.920 1.00 0.00 H new ATOM 68 N ILE A 5 8.979 -8.499 -0.403 1.00 0.00 N ATOM 69 CA ILE A 5 8.619 -7.656 -1.538 1.00 0.00 C ATOM 70 C ILE A 5 7.693 -6.529 -1.111 1.00 0.00 C ATOM 71 O ILE A 5 6.557 -6.770 -0.705 1.00 0.00 O ATOM 72 CB ILE A 5 7.913 -8.460 -2.645 1.00 0.00 C ATOM 73 CG1 ILE A 5 8.634 -9.783 -2.905 1.00 0.00 C ATOM 74 CG2 ILE A 5 7.811 -7.639 -3.924 1.00 0.00 C ATOM 75 CD1 ILE A 5 8.157 -10.905 -2.009 1.00 0.00 C ATOM 0 H ILE A 5 8.220 -9.087 -0.058 1.00 0.00 H new ATOM 0 HA ILE A 5 9.553 -7.248 -1.925 1.00 0.00 H new ATOM 0 HB ILE A 5 6.903 -8.689 -2.305 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.488 -10.071 -3.946 1.00 0.00 H new ATOM 0 HG13 ILE A 5 9.705 -9.641 -2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.309 -8.225 -4.694 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.240 -6.731 -3.729 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.811 -7.372 -4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 5 8.707 -11.816 -2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.327 -10.636 -0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.092 -11.072 -2.171 1.00 0.00 H new ATOM 87 N VAL A 6 8.171 -5.298 -1.220 1.00 0.00 N ATOM 88 CA VAL A 6 7.362 -4.147 -0.857 1.00 0.00 C ATOM 89 C VAL A 6 6.907 -3.387 -2.093 1.00 0.00 C ATOM 90 O VAL A 6 7.717 -2.808 -2.816 1.00 0.00 O ATOM 91 CB VAL A 6 8.110 -3.178 0.071 1.00 0.00 C ATOM 92 CG1 VAL A 6 9.400 -2.704 -0.580 1.00 0.00 C ATOM 93 CG2 VAL A 6 7.210 -2.002 0.431 1.00 0.00 C ATOM 0 H VAL A 6 9.108 -5.073 -1.554 1.00 0.00 H new ATOM 0 HA VAL A 6 6.496 -4.540 -0.324 1.00 0.00 H new ATOM 0 HB VAL A 6 8.375 -3.701 0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.916 -2.018 0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.040 -3.562 -0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.169 -2.192 -1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.748 -1.320 1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.919 -1.475 -0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.318 -2.369 0.939 1.00 0.00 H new ATOM 103 N TRP A 7 5.605 -3.382 -2.319 1.00 0.00 N ATOM 104 CA TRP A 7 5.031 -2.684 -3.456 1.00 0.00 C ATOM 105 C TRP A 7 4.296 -1.438 -2.985 1.00 0.00 C ATOM 106 O TRP A 7 3.754 -1.408 -1.883 1.00 0.00 O ATOM 107 CB TRP A 7 4.096 -3.615 -4.228 1.00 0.00 C ATOM 108 CG TRP A 7 4.842 -4.607 -5.068 1.00 0.00 C ATOM 109 CD1 TRP A 7 6.190 -4.820 -5.069 1.00 0.00 C ATOM 110 CD2 TRP A 7 4.292 -5.523 -6.025 1.00 0.00 C ATOM 111 NE1 TRP A 7 6.519 -5.782 -5.986 1.00 0.00 N ATOM 112 CE2 TRP A 7 5.371 -6.241 -6.578 1.00 0.00 C ATOM 113 CE3 TRP A 7 2.997 -5.803 -6.471 1.00 0.00 C ATOM 114 CZ2 TRP A 7 5.193 -7.217 -7.553 1.00 0.00 C ATOM 115 CZ3 TRP A 7 2.823 -6.776 -7.438 1.00 0.00 C ATOM 116 CH2 TRP A 7 3.918 -7.472 -7.970 1.00 0.00 C ATOM 0 H TRP A 7 4.923 -3.856 -1.727 1.00 0.00 H new ATOM 0 HA TRP A 7 5.831 -2.374 -4.128 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.456 -4.147 -3.524 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.442 -3.021 -4.867 1.00 0.00 H new ATOM 0 HD1 TRP A 7 6.897 -4.303 -4.436 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.464 -6.104 -6.195 1.00 0.00 H new ATOM 0 HE3 TRP A 7 2.149 -5.270 -6.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 6.034 -7.754 -7.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 1.827 -7.004 -7.789 1.00 0.00 H new ATOM 0 HH2 TRP A 7 3.749 -8.225 -8.725 1.00 0.00 H new ATOM 127 N VAL A 8 4.303 -0.400 -3.809 1.00 0.00 N ATOM 128 CA VAL A 8 3.653 0.857 -3.450 1.00 0.00 C ATOM 129 C VAL A 8 2.879 1.435 -4.624 1.00 0.00 C ATOM 130 O VAL A 8 3.294 1.306 -5.768 1.00 0.00 O ATOM 131 CB VAL A 8 4.678 1.914 -2.981 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.187 2.618 -1.725 1.00 0.00 C ATOM 133 CG2 VAL A 8 6.053 1.291 -2.760 1.00 0.00 C ATOM 0 H VAL A 8 4.748 -0.401 -4.727 1.00 0.00 H new ATOM 0 HA VAL A 8 2.969 0.625 -2.634 1.00 0.00 H new ATOM 0 HB VAL A 8 4.778 2.659 -3.770 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.923 3.358 -1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.239 3.114 -1.933 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.046 1.886 -0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.752 2.060 -2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.982 0.514 -1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.408 0.853 -3.693 1.00 0.00 H new ATOM 143 N VAL A 9 1.763 2.092 -4.338 1.00 0.00 N ATOM 144 CA VAL A 9 0.962 2.699 -5.393 1.00 0.00 C ATOM 145 C VAL A 9 0.832 4.208 -5.176 1.00 0.00 C ATOM 146 O VAL A 9 0.085 4.663 -4.308 1.00 0.00 O ATOM 147 CB VAL A 9 -0.445 2.054 -5.489 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.748 1.683 -6.936 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.551 0.832 -4.580 1.00 0.00 C ATOM 0 H VAL A 9 1.395 2.218 -3.395 1.00 0.00 H new ATOM 0 HA VAL A 9 1.480 2.519 -6.335 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.184 2.780 -5.151 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.738 1.230 -6.996 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.721 2.580 -7.555 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.002 0.973 -7.293 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.548 0.399 -4.667 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.193 0.092 -4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.374 1.131 -3.547 1.00 0.00 H new ATOM 159 N ASP A 10 1.573 4.978 -5.977 1.00 0.00 N ATOM 160 CA ASP A 10 1.561 6.439 -5.889 1.00 0.00 C ATOM 161 C ASP A 10 2.386 7.057 -7.015 1.00 0.00 C ATOM 162 O ASP A 10 3.590 6.831 -7.121 1.00 0.00 O ATOM 163 CB ASP A 10 2.084 6.902 -4.526 1.00 0.00 C ATOM 164 CG ASP A 10 1.219 7.983 -3.906 1.00 0.00 C ATOM 165 OD1 ASP A 10 0.886 8.956 -4.614 1.00 0.00 O ATOM 166 OD2 ASP A 10 0.879 7.859 -2.709 1.00 0.00 O ATOM 0 H ASP A 10 2.193 4.610 -6.699 1.00 0.00 H new ATOM 0 HA ASP A 10 0.530 6.776 -5.996 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.132 6.048 -3.850 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.101 7.276 -4.639 1.00 0.00 H new ATOM 171 N ASP A 11 1.707 7.834 -7.855 1.00 0.00 N ATOM 172 CA ASP A 11 2.317 8.506 -9.000 1.00 0.00 C ATOM 173 C ASP A 11 3.302 7.598 -9.741 1.00 0.00 C ATOM 174 O ASP A 11 2.919 6.920 -10.693 1.00 0.00 O ATOM 175 CB ASP A 11 2.994 9.811 -8.568 1.00 0.00 C ATOM 176 CG ASP A 11 2.459 11.006 -9.331 1.00 0.00 C ATOM 177 OD1 ASP A 11 2.900 11.221 -10.481 1.00 0.00 O ATOM 178 OD2 ASP A 11 1.596 11.723 -8.785 1.00 0.00 O ATOM 0 H ASP A 11 0.708 8.017 -7.759 1.00 0.00 H new ATOM 0 HA ASP A 11 1.516 8.748 -9.698 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.839 9.964 -7.500 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.070 9.731 -8.726 1.00 0.00 H new ATOM 183 N ASP A 12 4.561 7.588 -9.297 1.00 0.00 N ATOM 184 CA ASP A 12 5.611 6.766 -9.908 1.00 0.00 C ATOM 185 C ASP A 12 7.007 7.297 -9.548 1.00 0.00 C ATOM 186 O ASP A 12 7.510 7.035 -8.460 1.00 0.00 O ATOM 187 CB ASP A 12 5.446 6.708 -11.432 1.00 0.00 C ATOM 188 CG ASP A 12 6.567 5.942 -12.112 1.00 0.00 C ATOM 189 OD1 ASP A 12 6.792 4.769 -11.744 1.00 0.00 O ATOM 190 OD2 ASP A 12 7.220 6.514 -13.010 1.00 0.00 O ATOM 0 H ASP A 12 4.882 8.147 -8.506 1.00 0.00 H new ATOM 0 HA ASP A 12 5.512 5.756 -9.510 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.492 6.239 -11.673 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.411 7.723 -11.829 1.00 0.00 H new ATOM 195 N SER A 13 7.631 8.028 -10.479 1.00 0.00 N ATOM 196 CA SER A 13 8.969 8.583 -10.290 1.00 0.00 C ATOM 197 C SER A 13 9.236 9.057 -8.867 1.00 0.00 C ATOM 198 O SER A 13 9.955 8.411 -8.105 1.00 0.00 O ATOM 199 CB SER A 13 9.177 9.747 -11.255 1.00 0.00 C ATOM 200 OG SER A 13 8.062 10.620 -11.250 1.00 0.00 O ATOM 0 H SER A 13 7.218 8.250 -11.385 1.00 0.00 H new ATOM 0 HA SER A 13 9.673 7.775 -10.491 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.075 10.298 -10.976 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.338 9.364 -12.263 1.00 0.00 H new ATOM 0 HG SER A 13 8.221 11.358 -11.875 1.00 0.00 H new ATOM 206 N SER A 14 8.682 10.209 -8.537 1.00 0.00 N ATOM 207 CA SER A 14 8.883 10.821 -7.225 1.00 0.00 C ATOM 208 C SER A 14 8.559 9.862 -6.082 1.00 0.00 C ATOM 209 O SER A 14 9.248 9.858 -5.062 1.00 0.00 O ATOM 210 CB SER A 14 8.039 12.095 -7.100 1.00 0.00 C ATOM 211 OG SER A 14 8.226 12.729 -5.840 1.00 0.00 O ATOM 0 H SER A 14 8.083 10.748 -9.162 1.00 0.00 H new ATOM 0 HA SER A 14 9.940 11.075 -7.146 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.305 12.787 -7.899 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.985 11.848 -7.230 1.00 0.00 H new ATOM 0 HG SER A 14 7.674 13.538 -5.796 1.00 0.00 H new ATOM 217 N ILE A 15 7.523 9.047 -6.240 1.00 0.00 N ATOM 218 CA ILE A 15 7.156 8.107 -5.193 1.00 0.00 C ATOM 219 C ILE A 15 8.067 6.886 -5.206 1.00 0.00 C ATOM 220 O ILE A 15 8.224 6.205 -4.192 1.00 0.00 O ATOM 221 CB ILE A 15 5.685 7.672 -5.302 1.00 0.00 C ATOM 222 CG1 ILE A 15 4.790 8.916 -5.316 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.325 6.734 -4.150 1.00 0.00 C ATOM 224 CD1 ILE A 15 4.701 9.626 -3.982 1.00 0.00 C ATOM 0 H ILE A 15 6.931 9.019 -7.070 1.00 0.00 H new ATOM 0 HA ILE A 15 7.282 8.627 -4.243 1.00 0.00 H new ATOM 0 HB ILE A 15 5.529 7.124 -6.231 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.168 9.614 -6.063 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.787 8.626 -5.629 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.281 6.433 -4.238 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.962 5.850 -4.188 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.475 7.249 -3.201 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.050 10.495 -4.075 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.294 8.946 -3.234 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.696 9.949 -3.675 1.00 0.00 H new ATOM 236 N ARG A 16 8.680 6.622 -6.353 1.00 0.00 N ATOM 237 CA ARG A 16 9.584 5.490 -6.485 1.00 0.00 C ATOM 238 C ARG A 16 10.930 5.811 -5.844 1.00 0.00 C ATOM 239 O ARG A 16 11.619 4.933 -5.340 1.00 0.00 O ATOM 240 CB ARG A 16 9.790 5.116 -7.959 1.00 0.00 C ATOM 241 CG ARG A 16 10.450 3.757 -8.155 1.00 0.00 C ATOM 242 CD ARG A 16 11.510 3.797 -9.247 1.00 0.00 C ATOM 243 NE ARG A 16 10.956 3.481 -10.563 1.00 0.00 N ATOM 244 CZ ARG A 16 10.906 2.258 -11.092 1.00 0.00 C ATOM 245 NH1 ARG A 16 11.367 1.205 -10.426 1.00 0.00 N ATOM 246 NH2 ARG A 16 10.383 2.089 -12.299 1.00 0.00 N ATOM 0 H ARG A 16 8.567 7.176 -7.202 1.00 0.00 H new ATOM 0 HA ARG A 16 9.133 4.640 -5.972 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.824 5.118 -8.464 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.402 5.881 -8.437 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.905 3.435 -7.218 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.691 3.018 -8.412 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.965 4.787 -9.274 1.00 0.00 H new ATOM 0 HD3 ARG A 16 12.303 3.088 -9.008 1.00 0.00 H new ATOM 0 HE ARG A 16 10.581 4.252 -11.116 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.767 1.325 -9.495 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.321 0.276 -10.845 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.023 2.891 -12.816 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.341 1.157 -12.711 1.00 0.00 H new ATOM 260 N TRP A 17 11.311 7.074 -5.879 1.00 0.00 N ATOM 261 CA TRP A 17 12.583 7.487 -5.311 1.00 0.00 C ATOM 262 C TRP A 17 12.580 7.457 -3.781 1.00 0.00 C ATOM 263 O TRP A 17 13.393 6.777 -3.162 1.00 0.00 O ATOM 264 CB TRP A 17 12.958 8.890 -5.789 1.00 0.00 C ATOM 265 CG TRP A 17 14.334 9.304 -5.358 1.00 0.00 C ATOM 266 CD1 TRP A 17 15.518 8.980 -5.960 1.00 0.00 C ATOM 267 CD2 TRP A 17 14.669 10.110 -4.223 1.00 0.00 C ATOM 268 NE1 TRP A 17 16.568 9.537 -5.267 1.00 0.00 N ATOM 269 CE2 TRP A 17 16.071 10.236 -4.197 1.00 0.00 C ATOM 270 CE3 TRP A 17 13.919 10.739 -3.227 1.00 0.00 C ATOM 271 CZ2 TRP A 17 16.736 10.965 -3.213 1.00 0.00 C ATOM 272 CZ3 TRP A 17 14.579 11.462 -2.251 1.00 0.00 C ATOM 273 CH2 TRP A 17 15.975 11.570 -2.249 1.00 0.00 C ATOM 0 H TRP A 17 10.763 7.829 -6.292 1.00 0.00 H new ATOM 0 HA TRP A 17 13.324 6.767 -5.658 1.00 0.00 H new ATOM 0 HB2 TRP A 17 12.897 8.926 -6.877 1.00 0.00 H new ATOM 0 HB3 TRP A 17 12.231 9.606 -5.405 1.00 0.00 H new ATOM 0 HD1 TRP A 17 15.615 8.375 -6.850 1.00 0.00 H new ATOM 0 HE1 TRP A 17 17.555 9.445 -5.509 1.00 0.00 H new ATOM 0 HE3 TRP A 17 12.842 10.662 -3.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 17.813 11.050 -3.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 14.008 11.952 -1.476 1.00 0.00 H new ATOM 0 HH2 TRP A 17 16.461 12.142 -1.472 1.00 0.00 H new ATOM 284 N VAL A 18 11.694 8.244 -3.184 1.00 0.00 N ATOM 285 CA VAL A 18 11.623 8.370 -1.722 1.00 0.00 C ATOM 286 C VAL A 18 11.465 7.050 -0.967 1.00 0.00 C ATOM 287 O VAL A 18 12.292 6.710 -0.123 1.00 0.00 O ATOM 288 CB VAL A 18 10.488 9.318 -1.263 1.00 0.00 C ATOM 289 CG1 VAL A 18 10.883 10.019 0.031 1.00 0.00 C ATOM 290 CG2 VAL A 18 10.130 10.341 -2.335 1.00 0.00 C ATOM 0 H VAL A 18 11.009 8.809 -3.686 1.00 0.00 H new ATOM 0 HA VAL A 18 12.598 8.787 -1.469 1.00 0.00 H new ATOM 0 HB VAL A 18 9.601 8.710 -1.087 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.078 10.683 0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.064 9.275 0.807 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.790 10.600 -0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.330 10.985 -1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.006 10.947 -2.567 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.798 9.824 -3.235 1.00 0.00 H new ATOM 300 N LEU A 19 10.370 6.355 -1.213 1.00 0.00 N ATOM 301 CA LEU A 19 10.066 5.116 -0.491 1.00 0.00 C ATOM 302 C LEU A 19 10.863 3.897 -0.961 1.00 0.00 C ATOM 303 O LEU A 19 11.368 3.130 -0.145 1.00 0.00 O ATOM 304 CB LEU A 19 8.563 4.814 -0.573 1.00 0.00 C ATOM 305 CG LEU A 19 7.886 4.468 0.759 1.00 0.00 C ATOM 306 CD1 LEU A 19 8.550 3.263 1.411 1.00 0.00 C ATOM 307 CD2 LEU A 19 7.913 5.665 1.696 1.00 0.00 C ATOM 0 H LEU A 19 9.671 6.621 -1.906 1.00 0.00 H new ATOM 0 HA LEU A 19 10.369 5.295 0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.059 5.680 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.414 3.983 -1.263 1.00 0.00 H new ATOM 0 HG LEU A 19 6.847 4.211 0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.051 3.039 2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.475 2.402 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.600 3.484 1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.428 5.402 2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.946 5.953 1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.383 6.499 1.236 1.00 0.00 H new ATOM 319 N GLU A 20 10.939 3.700 -2.260 1.00 0.00 N ATOM 320 CA GLU A 20 11.630 2.550 -2.830 1.00 0.00 C ATOM 321 C GLU A 20 13.128 2.586 -2.626 1.00 0.00 C ATOM 322 O GLU A 20 13.708 1.682 -2.026 1.00 0.00 O ATOM 323 CB GLU A 20 11.362 2.475 -4.316 1.00 0.00 C ATOM 324 CG GLU A 20 10.000 2.973 -4.703 1.00 0.00 C ATOM 325 CD GLU A 20 8.880 2.257 -3.976 1.00 0.00 C ATOM 326 OE1 GLU A 20 8.735 1.031 -4.168 1.00 0.00 O ATOM 327 OE2 GLU A 20 8.149 2.925 -3.218 1.00 0.00 O ATOM 0 H GLU A 20 10.528 4.326 -2.952 1.00 0.00 H new ATOM 0 HA GLU A 20 11.242 1.676 -2.307 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.117 3.058 -4.844 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.470 1.441 -4.645 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.937 4.041 -4.495 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.866 2.849 -5.778 1.00 0.00 H new ATOM 334 N ARG A 21 13.760 3.612 -3.176 1.00 0.00 N ATOM 335 CA ARG A 21 15.217 3.725 -3.098 1.00 0.00 C ATOM 336 C ARG A 21 15.708 3.511 -1.672 1.00 0.00 C ATOM 337 O ARG A 21 16.686 2.797 -1.444 1.00 0.00 O ATOM 338 CB ARG A 21 15.686 5.088 -3.605 1.00 0.00 C ATOM 339 CG ARG A 21 15.416 5.323 -5.087 1.00 0.00 C ATOM 340 CD ARG A 21 16.704 5.330 -5.900 1.00 0.00 C ATOM 341 NE ARG A 21 16.520 4.744 -7.230 1.00 0.00 N ATOM 342 CZ ARG A 21 17.305 3.797 -7.749 1.00 0.00 C ATOM 343 NH1 ARG A 21 18.334 3.316 -7.062 1.00 0.00 N ATOM 344 NH2 ARG A 21 17.062 3.330 -8.967 1.00 0.00 N ATOM 0 H ARG A 21 13.298 4.372 -3.676 1.00 0.00 H new ATOM 0 HA ARG A 21 15.640 2.947 -3.734 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.192 5.869 -3.027 1.00 0.00 H new ATOM 0 HB3 ARG A 21 16.756 5.184 -3.421 1.00 0.00 H new ATOM 0 HG2 ARG A 21 14.752 4.545 -5.464 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.899 6.274 -5.216 1.00 0.00 H new ATOM 0 HD2 ARG A 21 17.062 6.354 -6.002 1.00 0.00 H new ATOM 0 HD3 ARG A 21 17.474 4.775 -5.363 1.00 0.00 H new ATOM 0 HE ARG A 21 15.742 5.081 -7.796 1.00 0.00 H new ATOM 0 HH11 ARG A 21 18.533 3.670 -6.126 1.00 0.00 H new ATOM 0 HH12 ARG A 21 18.926 2.593 -7.470 1.00 0.00 H new ATOM 0 HH21 ARG A 21 16.276 3.695 -9.506 1.00 0.00 H new ATOM 0 HH22 ARG A 21 17.661 2.607 -9.365 1.00 0.00 H new ATOM 358 N ALA A 22 15.025 4.117 -0.714 1.00 0.00 N ATOM 359 CA ALA A 22 15.398 3.972 0.684 1.00 0.00 C ATOM 360 C ALA A 22 15.030 2.589 1.208 1.00 0.00 C ATOM 361 O ALA A 22 15.663 2.076 2.130 1.00 0.00 O ATOM 362 CB ALA A 22 14.751 5.063 1.525 1.00 0.00 C ATOM 0 H ALA A 22 14.213 4.712 -0.878 1.00 0.00 H new ATOM 0 HA ALA A 22 16.480 4.079 0.760 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.041 4.939 2.568 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.081 6.039 1.171 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.667 4.993 1.439 1.00 0.00 H new ATOM 368 N LEU A 23 14.014 1.986 0.606 1.00 0.00 N ATOM 369 CA LEU A 23 13.579 0.655 1.006 1.00 0.00 C ATOM 370 C LEU A 23 14.457 -0.407 0.347 1.00 0.00 C ATOM 371 O LEU A 23 14.614 -1.518 0.861 1.00 0.00 O ATOM 372 CB LEU A 23 12.105 0.447 0.649 1.00 0.00 C ATOM 373 CG LEU A 23 11.400 -0.702 1.373 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.829 -0.773 2.832 1.00 0.00 C ATOM 375 CD2 LEU A 23 9.892 -0.537 1.276 1.00 0.00 C ATOM 0 H LEU A 23 13.477 2.396 -0.159 1.00 0.00 H new ATOM 0 HA LEU A 23 13.682 0.560 2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.566 1.370 0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.032 0.274 -0.425 1.00 0.00 H new ATOM 0 HG LEU A 23 11.687 -1.636 0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 23 11.313 -1.598 3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.906 -0.934 2.887 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.576 0.162 3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.402 -1.361 1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.599 0.407 1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.592 -0.539 0.228 1.00 0.00 H new ATOM 387 N ALA A 24 15.054 -0.042 -0.784 1.00 0.00 N ATOM 388 CA ALA A 24 15.941 -0.942 -1.492 1.00 0.00 C ATOM 389 C ALA A 24 17.198 -1.149 -0.666 1.00 0.00 C ATOM 390 O ALA A 24 17.749 -2.248 -0.610 1.00 0.00 O ATOM 391 CB ALA A 24 16.280 -0.396 -2.872 1.00 0.00 C ATOM 0 H ALA A 24 14.936 0.870 -1.224 1.00 0.00 H new ATOM 0 HA ALA A 24 15.443 -1.901 -1.636 1.00 0.00 H new ATOM 0 HB1 ALA A 24 16.947 -1.090 -3.384 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.364 -0.279 -3.452 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.771 0.572 -2.770 1.00 0.00 H new ATOM 397 N GLY A 25 17.630 -0.083 0.011 1.00 0.00 N ATOM 398 CA GLY A 25 18.795 -0.183 0.861 1.00 0.00 C ATOM 399 C GLY A 25 18.549 -1.154 1.996 1.00 0.00 C ATOM 400 O GLY A 25 19.483 -1.742 2.539 1.00 0.00 O ATOM 0 H GLY A 25 17.194 0.838 -0.018 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.652 -0.512 0.274 1.00 0.00 H new ATOM 0 HA3 GLY A 25 19.043 0.799 1.264 1.00 0.00 H new ATOM 404 N ALA A 26 17.275 -1.327 2.344 1.00 0.00 N ATOM 405 CA ALA A 26 16.889 -2.237 3.407 1.00 0.00 C ATOM 406 C ALA A 26 16.946 -3.687 2.930 1.00 0.00 C ATOM 407 O ALA A 26 16.967 -4.613 3.740 1.00 0.00 O ATOM 408 CB ALA A 26 15.495 -1.895 3.912 1.00 0.00 C ATOM 0 H ALA A 26 16.494 -0.844 1.900 1.00 0.00 H new ATOM 0 HA ALA A 26 17.596 -2.124 4.229 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.217 -2.585 4.709 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.487 -0.875 4.296 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.780 -1.980 3.093 1.00 0.00 H new ATOM 414 N GLY A 27 17.001 -3.880 1.610 1.00 0.00 N ATOM 415 CA GLY A 27 17.089 -5.223 1.065 1.00 0.00 C ATOM 416 C GLY A 27 15.761 -5.806 0.601 1.00 0.00 C ATOM 417 O GLY A 27 15.601 -7.027 0.592 1.00 0.00 O ATOM 0 H GLY A 27 16.986 -3.133 0.915 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.781 -5.215 0.223 1.00 0.00 H new ATOM 0 HA3 GLY A 27 17.515 -5.881 1.822 1.00 0.00 H new ATOM 421 N LEU A 28 14.801 -4.962 0.216 1.00 0.00 N ATOM 422 CA LEU A 28 13.507 -5.466 -0.237 1.00 0.00 C ATOM 423 C LEU A 28 13.194 -5.030 -1.664 1.00 0.00 C ATOM 424 O LEU A 28 13.848 -4.143 -2.212 1.00 0.00 O ATOM 425 CB LEU A 28 12.392 -5.007 0.699 1.00 0.00 C ATOM 426 CG LEU A 28 12.822 -4.760 2.141 1.00 0.00 C ATOM 427 CD1 LEU A 28 13.253 -3.328 2.322 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.699 -5.122 3.102 1.00 0.00 C ATOM 0 H LEU A 28 14.893 -3.946 0.209 1.00 0.00 H new ATOM 0 HA LEU A 28 13.565 -6.554 -0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.960 -4.088 0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.602 -5.758 0.695 1.00 0.00 H new ATOM 0 HG LEU A 28 13.675 -5.400 2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.557 -3.167 3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.092 -3.114 1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.422 -2.665 2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.024 -4.939 4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.823 -4.511 2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.445 -6.175 2.984 1.00 0.00 H new ATOM 440 N THR A 29 12.175 -5.654 -2.257 1.00 0.00 N ATOM 441 CA THR A 29 11.765 -5.318 -3.617 1.00 0.00 C ATOM 442 C THR A 29 10.782 -4.156 -3.579 1.00 0.00 C ATOM 443 O THR A 29 9.617 -4.327 -3.225 1.00 0.00 O ATOM 444 CB THR A 29 11.120 -6.532 -4.293 1.00 0.00 C ATOM 445 OG1 THR A 29 12.017 -7.630 -4.336 1.00 0.00 O ATOM 446 CG2 THR A 29 10.661 -6.259 -5.710 1.00 0.00 C ATOM 0 H THR A 29 11.622 -6.390 -1.818 1.00 0.00 H new ATOM 0 HA THR A 29 12.644 -5.028 -4.193 1.00 0.00 H new ATOM 0 HB THR A 29 10.247 -6.763 -3.682 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.580 -8.392 -4.771 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.214 -7.161 -6.128 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.923 -5.457 -5.705 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.515 -5.962 -6.318 1.00 0.00 H new ATOM 454 N CYS A 30 11.268 -2.979 -3.938 1.00 0.00 N ATOM 455 CA CYS A 30 10.451 -1.772 -3.929 1.00 0.00 C ATOM 456 C CYS A 30 10.055 -1.344 -5.334 1.00 0.00 C ATOM 457 O CYS A 30 10.887 -0.874 -6.111 1.00 0.00 O ATOM 458 CB CYS A 30 11.212 -0.640 -3.250 1.00 0.00 C ATOM 459 SG CYS A 30 12.932 -0.486 -3.788 1.00 0.00 S ATOM 0 H CYS A 30 12.231 -2.831 -4.242 1.00 0.00 H new ATOM 0 HA CYS A 30 9.538 -1.996 -3.377 1.00 0.00 H new ATOM 0 HB2 CYS A 30 10.695 0.300 -3.445 1.00 0.00 H new ATOM 0 HB3 CYS A 30 11.192 -0.797 -2.172 1.00 0.00 H new ATOM 0 HG CYS A 30 13.601 0.204 -2.912 1.00 0.00 H new ATOM 465 N THR A 31 8.773 -1.485 -5.640 1.00 0.00 N ATOM 466 CA THR A 31 8.247 -1.091 -6.937 1.00 0.00 C ATOM 467 C THR A 31 7.056 -0.156 -6.729 1.00 0.00 C ATOM 468 O THR A 31 6.394 -0.216 -5.692 1.00 0.00 O ATOM 469 CB THR A 31 7.825 -2.322 -7.749 1.00 0.00 C ATOM 470 OG1 THR A 31 7.777 -2.016 -9.133 1.00 0.00 O ATOM 471 CG2 THR A 31 6.466 -2.843 -7.362 1.00 0.00 C ATOM 0 H THR A 31 8.076 -1.871 -5.003 1.00 0.00 H new ATOM 0 HA THR A 31 9.025 -0.572 -7.497 1.00 0.00 H new ATOM 0 HB THR A 31 8.574 -3.084 -7.534 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.508 -2.813 -9.635 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.223 -3.714 -7.971 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.471 -3.126 -6.309 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.719 -2.066 -7.525 1.00 0.00 H new ATOM 479 N THR A 32 6.788 0.710 -7.695 1.00 0.00 N ATOM 480 CA THR A 32 5.680 1.647 -7.571 1.00 0.00 C ATOM 481 C THR A 32 4.728 1.561 -8.755 1.00 0.00 C ATOM 482 O THR A 32 5.052 0.983 -9.791 1.00 0.00 O ATOM 483 CB THR A 32 6.219 3.060 -7.411 1.00 0.00 C ATOM 484 OG1 THR A 32 6.903 3.472 -8.580 1.00 0.00 O ATOM 485 CG2 THR A 32 7.176 3.176 -6.248 1.00 0.00 C ATOM 0 H THR A 32 7.316 0.784 -8.565 1.00 0.00 H new ATOM 0 HA THR A 32 5.107 1.379 -6.684 1.00 0.00 H new ATOM 0 HB THR A 32 5.354 3.697 -7.228 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.253 3.743 -9.261 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.535 4.203 -6.173 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.663 2.903 -5.326 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.022 2.507 -6.405 1.00 0.00 H new ATOM 493 N PHE A 33 3.537 2.119 -8.575 1.00 0.00 N ATOM 494 CA PHE A 33 2.509 2.088 -9.603 1.00 0.00 C ATOM 495 C PHE A 33 1.822 3.450 -9.751 1.00 0.00 C ATOM 496 O PHE A 33 2.098 4.381 -8.995 1.00 0.00 O ATOM 497 CB PHE A 33 1.501 0.995 -9.278 1.00 0.00 C ATOM 498 CG PHE A 33 2.117 -0.368 -9.085 1.00 0.00 C ATOM 499 CD1 PHE A 33 2.901 -0.620 -7.976 1.00 0.00 C ATOM 500 CD2 PHE A 33 1.908 -1.394 -9.993 1.00 0.00 C ATOM 501 CE1 PHE A 33 3.465 -1.860 -7.771 1.00 0.00 C ATOM 502 CE2 PHE A 33 2.474 -2.640 -9.796 1.00 0.00 C ATOM 503 CZ PHE A 33 3.252 -2.874 -8.683 1.00 0.00 C ATOM 0 H PHE A 33 3.260 2.601 -7.720 1.00 0.00 H new ATOM 0 HA PHE A 33 2.978 1.865 -10.561 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.961 1.270 -8.372 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.767 0.941 -10.082 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.075 0.168 -7.258 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.296 -1.218 -10.865 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.074 -2.039 -6.897 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.306 -3.429 -10.514 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.693 -3.847 -8.525 1.00 0.00 H new ATOM 513 N GLU A 34 0.959 3.564 -10.760 1.00 0.00 N ATOM 514 CA GLU A 34 0.265 4.821 -11.059 1.00 0.00 C ATOM 515 C GLU A 34 -0.667 5.301 -9.935 1.00 0.00 C ATOM 516 O GLU A 34 -0.689 6.493 -9.632 1.00 0.00 O ATOM 517 CB GLU A 34 -0.537 4.673 -12.356 1.00 0.00 C ATOM 518 CG GLU A 34 -1.715 3.711 -12.254 1.00 0.00 C ATOM 519 CD GLU A 34 -1.761 2.708 -13.390 1.00 0.00 C ATOM 520 OE1 GLU A 34 -1.058 2.922 -14.401 1.00 0.00 O ATOM 521 OE2 GLU A 34 -2.499 1.707 -13.266 1.00 0.00 O ATOM 0 H GLU A 34 0.721 2.797 -11.389 1.00 0.00 H new ATOM 0 HA GLU A 34 1.041 5.579 -11.164 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.908 5.653 -12.655 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.131 4.330 -13.146 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.659 3.176 -11.306 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.643 4.282 -12.243 1.00 0.00 H new ATOM 528 N ASN A 35 -1.436 4.407 -9.318 1.00 0.00 N ATOM 529 CA ASN A 35 -2.340 4.832 -8.249 1.00 0.00 C ATOM 530 C ASN A 35 -2.966 3.657 -7.522 1.00 0.00 C ATOM 531 O ASN A 35 -3.192 3.710 -6.314 1.00 0.00 O ATOM 532 CB ASN A 35 -3.442 5.731 -8.809 1.00 0.00 C ATOM 533 CG ASN A 35 -4.212 5.070 -9.936 1.00 0.00 C ATOM 534 OD1 ASN A 35 -5.058 4.104 -9.594 1.00 0.00 O flip ATOM 535 ND2 ASN A 35 -4.050 5.425 -11.102 1.00 0.00 N flip ATOM 0 H ASN A 35 -1.454 3.410 -9.531 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.739 5.388 -7.529 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.132 5.997 -8.008 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.001 6.660 -9.170 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.390 6.171 -11.321 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.576 4.973 -11.850 1.00 0.00 H new ATOM 542 N GLY A 36 -3.240 2.599 -8.261 1.00 0.00 N ATOM 543 CA GLY A 36 -3.836 1.421 -7.670 1.00 0.00 C ATOM 544 C GLY A 36 -4.140 0.360 -8.696 1.00 0.00 C ATOM 545 O GLY A 36 -3.714 -0.787 -8.566 1.00 0.00 O ATOM 0 H GLY A 36 -3.061 2.533 -9.263 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.161 1.013 -6.917 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.755 1.700 -7.156 1.00 0.00 H new ATOM 549 N ASN A 37 -4.882 0.747 -9.723 1.00 0.00 N ATOM 550 CA ASN A 37 -5.257 -0.168 -10.787 1.00 0.00 C ATOM 551 C ASN A 37 -4.041 -0.896 -11.346 1.00 0.00 C ATOM 552 O ASN A 37 -4.140 -2.045 -11.778 1.00 0.00 O ATOM 553 CB ASN A 37 -5.989 0.596 -11.885 1.00 0.00 C ATOM 554 CG ASN A 37 -7.355 1.063 -11.422 1.00 0.00 C ATOM 555 OD1 ASN A 37 -8.155 0.130 -10.913 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -7.684 2.245 -11.508 1.00 0.00 N flip ATOM 0 H ASN A 37 -5.238 1.696 -9.841 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.925 -0.925 -10.376 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.393 1.456 -12.190 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.099 -0.042 -12.762 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.038 2.927 -11.906 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.603 2.544 -11.182 1.00 0.00 H new ATOM 563 N GLU A 38 -2.888 -0.234 -11.328 1.00 0.00 N ATOM 564 CA GLU A 38 -1.667 -0.845 -11.828 1.00 0.00 C ATOM 565 C GLU A 38 -1.259 -2.044 -10.968 1.00 0.00 C ATOM 566 O GLU A 38 -1.017 -3.128 -11.498 1.00 0.00 O ATOM 567 CB GLU A 38 -0.532 0.176 -11.888 1.00 0.00 C ATOM 568 CG GLU A 38 0.241 0.157 -13.201 1.00 0.00 C ATOM 569 CD GLU A 38 1.365 -0.862 -13.208 1.00 0.00 C ATOM 570 OE1 GLU A 38 1.073 -2.070 -13.094 1.00 0.00 O ATOM 571 OE2 GLU A 38 2.539 -0.451 -13.326 1.00 0.00 O ATOM 0 H GLU A 38 -2.776 0.717 -10.976 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.865 -1.201 -12.839 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.944 1.173 -11.734 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.159 -0.014 -11.067 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.446 -0.061 -14.018 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.654 1.148 -13.388 1.00 0.00 H new ATOM 578 N VAL A 39 -1.176 -1.864 -9.641 1.00 0.00 N ATOM 579 CA VAL A 39 -0.786 -2.974 -8.768 1.00 0.00 C ATOM 580 C VAL A 39 -1.689 -4.191 -8.963 1.00 0.00 C ATOM 581 O VAL A 39 -1.239 -5.331 -8.849 1.00 0.00 O ATOM 582 CB VAL A 39 -0.806 -2.594 -7.276 1.00 0.00 C ATOM 583 CG1 VAL A 39 -0.203 -3.716 -6.440 1.00 0.00 C ATOM 584 CG2 VAL A 39 -0.064 -1.291 -7.034 1.00 0.00 C ATOM 0 H VAL A 39 -1.368 -0.984 -9.162 1.00 0.00 H new ATOM 0 HA VAL A 39 0.236 -3.218 -9.056 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.843 -2.449 -6.974 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.223 -3.436 -5.387 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.782 -4.628 -6.584 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.828 -3.888 -6.751 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.094 -1.047 -5.972 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.973 -1.398 -7.352 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.538 -0.491 -7.604 1.00 0.00 H new ATOM 594 N LEU A 40 -2.963 -3.947 -9.250 1.00 0.00 N ATOM 595 CA LEU A 40 -3.919 -5.032 -9.446 1.00 0.00 C ATOM 596 C LEU A 40 -3.501 -5.940 -10.594 1.00 0.00 C ATOM 597 O LEU A 40 -3.506 -7.164 -10.461 1.00 0.00 O ATOM 598 CB LEU A 40 -5.316 -4.480 -9.713 1.00 0.00 C ATOM 599 CG LEU A 40 -5.717 -3.294 -8.844 1.00 0.00 C ATOM 600 CD1 LEU A 40 -7.071 -2.766 -9.274 1.00 0.00 C ATOM 601 CD2 LEU A 40 -5.736 -3.691 -7.376 1.00 0.00 C ATOM 0 H LEU A 40 -3.357 -3.012 -9.352 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.935 -5.620 -8.528 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.379 -4.182 -10.760 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.041 -5.281 -9.566 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.980 -2.501 -8.972 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.347 -1.919 -8.646 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.023 -2.446 -10.315 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.818 -3.553 -9.171 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.024 -2.832 -6.770 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.454 -4.498 -7.226 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.743 -4.029 -7.077 1.00 0.00 H new ATOM 613 N ALA A 41 -3.146 -5.340 -11.725 1.00 0.00 N ATOM 614 CA ALA A 41 -2.732 -6.109 -12.890 1.00 0.00 C ATOM 615 C ALA A 41 -1.452 -6.878 -12.609 1.00 0.00 C ATOM 616 O ALA A 41 -1.345 -8.069 -12.901 1.00 0.00 O ATOM 617 CB ALA A 41 -2.548 -5.194 -14.089 1.00 0.00 C ATOM 0 H ALA A 41 -3.137 -4.329 -11.858 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.517 -6.831 -13.116 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.238 -5.783 -14.952 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.489 -4.692 -14.311 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.784 -4.450 -13.865 1.00 0.00 H new ATOM 623 N ALA A 42 -0.486 -6.182 -12.037 1.00 0.00 N ATOM 624 CA ALA A 42 0.800 -6.783 -11.703 1.00 0.00 C ATOM 625 C ALA A 42 0.635 -7.885 -10.663 1.00 0.00 C ATOM 626 O ALA A 42 1.281 -8.930 -10.745 1.00 0.00 O ATOM 627 CB ALA A 42 1.774 -5.723 -11.207 1.00 0.00 C ATOM 0 H ALA A 42 -0.565 -5.195 -11.792 1.00 0.00 H new ATOM 0 HA ALA A 42 1.208 -7.231 -12.609 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.728 -6.191 -10.963 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.925 -4.975 -11.985 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.367 -5.243 -10.317 1.00 0.00 H new ATOM 633 N LEU A 43 -0.233 -7.648 -9.685 1.00 0.00 N ATOM 634 CA LEU A 43 -0.479 -8.623 -8.628 1.00 0.00 C ATOM 635 C LEU A 43 -0.986 -9.945 -9.196 1.00 0.00 C ATOM 636 O LEU A 43 -0.815 -11.001 -8.587 1.00 0.00 O ATOM 637 CB LEU A 43 -1.499 -8.080 -7.623 1.00 0.00 C ATOM 638 CG LEU A 43 -0.932 -7.195 -6.522 1.00 0.00 C ATOM 639 CD1 LEU A 43 -2.058 -6.606 -5.688 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.002 -8.012 -5.651 1.00 0.00 C ATOM 0 H LEU A 43 -0.778 -6.790 -9.602 1.00 0.00 H new ATOM 0 HA LEU A 43 0.471 -8.802 -8.124 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.253 -7.512 -8.169 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.010 -8.924 -7.159 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.373 -6.374 -6.971 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.639 -5.975 -4.904 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.709 -6.008 -6.326 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.635 -7.412 -5.235 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.406 -7.381 -4.862 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.554 -8.839 -5.205 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.813 -8.405 -6.258 1.00 0.00 H new ATOM 652 N ALA A 44 -1.619 -9.873 -10.359 1.00 0.00 N ATOM 653 CA ALA A 44 -2.171 -11.054 -11.013 1.00 0.00 C ATOM 654 C ALA A 44 -1.132 -12.158 -11.190 1.00 0.00 C ATOM 655 O ALA A 44 -1.482 -13.325 -11.356 1.00 0.00 O ATOM 656 CB ALA A 44 -2.766 -10.673 -12.360 1.00 0.00 C ATOM 0 H ALA A 44 -1.764 -9.004 -10.873 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.954 -11.449 -10.365 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.176 -11.561 -12.841 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.560 -9.941 -12.213 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.989 -10.244 -12.993 1.00 0.00 H new ATOM 662 N SER A 45 0.143 -11.790 -11.166 1.00 0.00 N ATOM 663 CA SER A 45 1.212 -12.760 -11.338 1.00 0.00 C ATOM 664 C SER A 45 2.229 -12.706 -10.200 1.00 0.00 C ATOM 665 O SER A 45 3.242 -13.404 -10.238 1.00 0.00 O ATOM 666 CB SER A 45 1.917 -12.540 -12.678 1.00 0.00 C ATOM 667 OG SER A 45 1.349 -13.349 -13.694 1.00 0.00 O ATOM 0 H SER A 45 0.459 -10.830 -11.029 1.00 0.00 H new ATOM 0 HA SER A 45 0.755 -13.749 -11.324 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.845 -11.490 -12.962 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.978 -12.770 -12.576 1.00 0.00 H new ATOM 0 HG SER A 45 1.817 -13.188 -14.540 1.00 0.00 H new ATOM 673 N LYS A 46 1.966 -11.884 -9.189 1.00 0.00 N ATOM 674 CA LYS A 46 2.876 -11.767 -8.061 1.00 0.00 C ATOM 675 C LYS A 46 2.176 -11.150 -6.858 1.00 0.00 C ATOM 676 O LYS A 46 1.193 -10.427 -7.005 1.00 0.00 O ATOM 677 CB LYS A 46 4.086 -10.921 -8.453 1.00 0.00 C ATOM 678 CG LYS A 46 5.420 -11.575 -8.135 1.00 0.00 C ATOM 679 CD LYS A 46 6.251 -10.705 -7.208 1.00 0.00 C ATOM 680 CE LYS A 46 7.654 -11.262 -7.027 1.00 0.00 C ATOM 681 NZ LYS A 46 8.689 -10.356 -7.596 1.00 0.00 N ATOM 0 H LYS A 46 1.136 -11.294 -9.130 1.00 0.00 H new ATOM 0 HA LYS A 46 3.210 -12.767 -7.785 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.040 -10.711 -9.522 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.030 -9.962 -7.937 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.250 -12.547 -7.671 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.969 -11.755 -9.059 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.309 -9.694 -7.612 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.759 -10.633 -6.238 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.850 -11.415 -5.966 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.722 -12.238 -7.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.548 -10.902 -7.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.328 -9.921 -8.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.916 -9.612 -6.906 1.00 0.00 H new ATOM 695 N THR A 47 2.689 -11.431 -5.666 1.00 0.00 N ATOM 696 CA THR A 47 2.107 -10.891 -4.449 1.00 0.00 C ATOM 697 C THR A 47 3.185 -10.436 -3.469 1.00 0.00 C ATOM 698 O THR A 47 3.904 -11.261 -2.905 1.00 0.00 O ATOM 699 CB THR A 47 1.219 -11.937 -3.770 1.00 0.00 C ATOM 700 OG1 THR A 47 0.172 -12.353 -4.631 1.00 0.00 O ATOM 701 CG2 THR A 47 0.592 -11.443 -2.480 1.00 0.00 C ATOM 0 H THR A 47 3.503 -12.027 -5.519 1.00 0.00 H new ATOM 0 HA THR A 47 1.506 -10.027 -4.732 1.00 0.00 H new ATOM 0 HB THR A 47 1.884 -12.769 -3.537 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.380 -13.022 -4.175 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.025 -12.232 -2.050 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.377 -11.171 -1.775 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.028 -10.571 -2.687 1.00 0.00 H new ATOM 709 N PRO A 48 3.303 -9.119 -3.226 1.00 0.00 N ATOM 710 CA PRO A 48 4.287 -8.591 -2.287 1.00 0.00 C ATOM 711 C PRO A 48 3.839 -8.785 -0.842 1.00 0.00 C ATOM 712 O PRO A 48 2.664 -9.042 -0.582 1.00 0.00 O ATOM 713 CB PRO A 48 4.342 -7.107 -2.635 1.00 0.00 C ATOM 714 CG PRO A 48 2.980 -6.796 -3.149 1.00 0.00 C ATOM 715 CD PRO A 48 2.490 -8.045 -3.833 1.00 0.00 C ATOM 0 HA PRO A 48 5.252 -9.092 -2.365 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.584 -6.503 -1.761 1.00 0.00 H new ATOM 0 HB3 PRO A 48 5.106 -6.903 -3.385 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.313 -6.511 -2.335 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.009 -5.958 -3.845 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.425 -8.204 -3.662 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.635 -7.994 -4.912 1.00 0.00 H new ATOM 723 N ASP A 49 4.772 -8.667 0.094 1.00 0.00 N ATOM 724 CA ASP A 49 4.446 -8.839 1.505 1.00 0.00 C ATOM 725 C ASP A 49 3.715 -7.618 2.060 1.00 0.00 C ATOM 726 O ASP A 49 3.007 -7.718 3.059 1.00 0.00 O ATOM 727 CB ASP A 49 5.710 -9.108 2.323 1.00 0.00 C ATOM 728 CG ASP A 49 6.383 -10.410 1.932 1.00 0.00 C ATOM 729 OD1 ASP A 49 6.818 -10.526 0.768 1.00 0.00 O ATOM 730 OD2 ASP A 49 6.477 -11.311 2.792 1.00 0.00 O ATOM 0 H ASP A 49 5.752 -8.455 -0.095 1.00 0.00 H new ATOM 0 HA ASP A 49 3.782 -9.700 1.586 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.411 -8.284 2.186 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.455 -9.137 3.382 1.00 0.00 H new ATOM 735 N VAL A 50 3.892 -6.464 1.420 1.00 0.00 N ATOM 736 CA VAL A 50 3.241 -5.243 1.874 1.00 0.00 C ATOM 737 C VAL A 50 2.870 -4.352 0.689 1.00 0.00 C ATOM 738 O VAL A 50 3.437 -4.487 -0.395 1.00 0.00 O ATOM 739 CB VAL A 50 4.154 -4.470 2.848 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.494 -4.177 2.196 1.00 0.00 C ATOM 741 CG2 VAL A 50 3.486 -3.190 3.322 1.00 0.00 C ATOM 0 H VAL A 50 4.477 -6.352 0.592 1.00 0.00 H new ATOM 0 HA VAL A 50 2.327 -5.525 2.397 1.00 0.00 H new ATOM 0 HB VAL A 50 4.328 -5.095 3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.127 -3.631 2.895 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.979 -5.114 1.923 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.339 -3.575 1.301 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.151 -2.665 4.007 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.271 -2.552 2.464 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.556 -3.434 3.835 1.00 0.00 H new ATOM 751 N LEU A 51 1.910 -3.449 0.891 1.00 0.00 N ATOM 752 CA LEU A 51 1.477 -2.557 -0.182 1.00 0.00 C ATOM 753 C LEU A 51 0.918 -1.243 0.347 1.00 0.00 C ATOM 754 O LEU A 51 -0.119 -1.216 1.005 1.00 0.00 O ATOM 755 CB LEU A 51 0.423 -3.236 -1.062 1.00 0.00 C ATOM 756 CG LEU A 51 0.162 -2.535 -2.400 1.00 0.00 C ATOM 757 CD1 LEU A 51 1.272 -2.858 -3.384 1.00 0.00 C ATOM 758 CD2 LEU A 51 -1.194 -2.932 -2.968 1.00 0.00 C ATOM 0 H LEU A 51 1.423 -3.317 1.777 1.00 0.00 H new ATOM 0 HA LEU A 51 2.364 -2.334 -0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.738 -4.261 -1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.514 -3.292 -0.507 1.00 0.00 H new ATOM 0 HG LEU A 51 0.149 -1.459 -2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.076 -2.355 -4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.226 -2.516 -2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.312 -3.935 -3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.355 -2.421 -3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.220 -4.010 -3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.979 -2.650 -2.267 1.00 0.00 H new ATOM 770 N LEU A 52 1.602 -0.153 0.026 1.00 0.00 N ATOM 771 CA LEU A 52 1.166 1.177 0.435 1.00 0.00 C ATOM 772 C LEU A 52 0.497 1.882 -0.744 1.00 0.00 C ATOM 773 O LEU A 52 1.126 2.115 -1.775 1.00 0.00 O ATOM 774 CB LEU A 52 2.357 1.996 0.941 1.00 0.00 C ATOM 775 CG LEU A 52 2.086 2.853 2.177 1.00 0.00 C ATOM 776 CD1 LEU A 52 3.388 3.405 2.732 1.00 0.00 C ATOM 777 CD2 LEU A 52 1.128 3.986 1.841 1.00 0.00 C ATOM 0 H LEU A 52 2.464 -0.163 -0.519 1.00 0.00 H new ATOM 0 HA LEU A 52 0.446 1.082 1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.176 1.313 1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.697 2.647 0.136 1.00 0.00 H new ATOM 0 HG LEU A 52 1.622 2.226 2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.179 4.013 3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.044 2.580 3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.876 4.018 1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.947 4.586 2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.565 4.614 1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.185 3.571 1.485 1.00 0.00 H new ATOM 789 N SER A 53 -0.789 2.196 -0.599 1.00 0.00 N ATOM 790 CA SER A 53 -1.539 2.849 -1.670 1.00 0.00 C ATOM 791 C SER A 53 -1.973 4.262 -1.286 1.00 0.00 C ATOM 792 O SER A 53 -2.182 4.562 -0.113 1.00 0.00 O ATOM 793 CB SER A 53 -2.776 2.021 -2.029 1.00 0.00 C ATOM 794 OG SER A 53 -2.419 0.759 -2.562 1.00 0.00 O ATOM 0 H SER A 53 -1.331 2.010 0.245 1.00 0.00 H new ATOM 0 HA SER A 53 -0.874 2.921 -2.531 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.392 1.881 -1.141 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.382 2.565 -2.754 1.00 0.00 H new ATOM 0 HG SER A 53 -3.230 0.254 -2.779 1.00 0.00 H new ATOM 800 N ASP A 54 -2.119 5.123 -2.289 1.00 0.00 N ATOM 801 CA ASP A 54 -2.543 6.501 -2.062 1.00 0.00 C ATOM 802 C ASP A 54 -4.066 6.578 -1.940 1.00 0.00 C ATOM 803 O ASP A 54 -4.757 5.575 -2.123 1.00 0.00 O ATOM 804 CB ASP A 54 -2.071 7.396 -3.209 1.00 0.00 C ATOM 805 CG ASP A 54 -1.905 8.840 -2.784 1.00 0.00 C ATOM 806 OD1 ASP A 54 -1.263 9.082 -1.740 1.00 0.00 O ATOM 807 OD2 ASP A 54 -2.418 9.731 -3.494 1.00 0.00 O ATOM 0 H ASP A 54 -1.950 4.891 -3.268 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.096 6.849 -1.131 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.122 7.021 -3.592 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.788 7.341 -4.028 1.00 0.00 H new ATOM 812 N ILE A 55 -4.590 7.768 -1.638 1.00 0.00 N ATOM 813 CA ILE A 55 -6.034 7.949 -1.509 1.00 0.00 C ATOM 814 C ILE A 55 -6.458 9.374 -1.858 1.00 0.00 C ATOM 815 O ILE A 55 -6.909 10.136 -1.002 1.00 0.00 O ATOM 816 CB ILE A 55 -6.536 7.568 -0.098 1.00 0.00 C ATOM 817 CG1 ILE A 55 -8.055 7.681 -0.001 1.00 0.00 C ATOM 818 CG2 ILE A 55 -5.875 8.408 0.980 1.00 0.00 C ATOM 819 CD1 ILE A 55 -8.671 6.609 0.870 1.00 0.00 C ATOM 0 H ILE A 55 -4.040 8.612 -1.480 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.498 7.272 -2.226 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.256 6.528 0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.317 8.661 0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.483 7.620 -1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.254 8.110 1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.796 8.257 0.948 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.099 9.461 0.810 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.752 6.742 0.900 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.437 5.627 0.459 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.268 6.685 1.880 1.00 0.00 H new ATOM 831 N ARG A 56 -6.313 9.712 -3.135 1.00 0.00 N ATOM 832 CA ARG A 56 -6.680 11.031 -3.640 1.00 0.00 C ATOM 833 C ARG A 56 -6.345 11.141 -5.126 1.00 0.00 C ATOM 834 O ARG A 56 -5.678 12.083 -5.553 1.00 0.00 O ATOM 835 CB ARG A 56 -5.962 12.138 -2.858 1.00 0.00 C ATOM 836 CG ARG A 56 -4.454 11.949 -2.758 1.00 0.00 C ATOM 837 CD ARG A 56 -3.859 12.777 -1.626 1.00 0.00 C ATOM 838 NE ARG A 56 -2.943 13.809 -2.116 1.00 0.00 N ATOM 839 CZ ARG A 56 -2.070 14.455 -1.345 1.00 0.00 C ATOM 840 NH1 ARG A 56 -1.998 14.192 -0.046 1.00 0.00 N ATOM 841 NH2 ARG A 56 -1.265 15.371 -1.870 1.00 0.00 N ATOM 0 H ARG A 56 -5.940 9.083 -3.846 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.754 11.157 -3.506 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.167 13.097 -3.335 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.379 12.187 -1.852 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.229 10.895 -2.596 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.988 12.233 -3.701 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.664 13.247 -1.061 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.328 12.119 -0.938 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.975 14.047 -3.107 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.613 13.492 0.367 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.327 14.690 0.539 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.314 15.582 -2.867 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.598 15.864 -1.277 1.00 0.00 H new ATOM 855 N MET A 57 -6.810 10.170 -5.908 1.00 0.00 N ATOM 856 CA MET A 57 -6.551 10.162 -7.346 1.00 0.00 C ATOM 857 C MET A 57 -7.556 9.278 -8.093 1.00 0.00 C ATOM 858 O MET A 57 -8.316 9.771 -8.926 1.00 0.00 O ATOM 859 CB MET A 57 -5.112 9.708 -7.628 1.00 0.00 C ATOM 860 CG MET A 57 -4.602 10.093 -9.009 1.00 0.00 C ATOM 861 SD MET A 57 -2.913 9.528 -9.302 1.00 0.00 S ATOM 862 CE MET A 57 -2.111 11.062 -9.764 1.00 0.00 C ATOM 0 H MET A 57 -7.365 9.383 -5.573 1.00 0.00 H new ATOM 0 HA MET A 57 -6.674 11.181 -7.714 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.452 10.138 -6.875 1.00 0.00 H new ATOM 0 HB3 MET A 57 -5.056 8.625 -7.520 1.00 0.00 H new ATOM 0 HG2 MET A 57 -5.260 9.669 -9.767 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.644 11.177 -9.120 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.059 10.873 -9.976 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.592 11.471 -10.652 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.194 11.777 -8.945 1.00 0.00 H new ATOM 872 N PRO A 58 -7.585 7.957 -7.812 1.00 0.00 N ATOM 873 CA PRO A 58 -8.515 7.033 -8.476 1.00 0.00 C ATOM 874 C PRO A 58 -9.977 7.381 -8.208 1.00 0.00 C ATOM 875 O PRO A 58 -10.290 8.478 -7.745 1.00 0.00 O ATOM 876 CB PRO A 58 -8.165 5.669 -7.866 1.00 0.00 C ATOM 877 CG PRO A 58 -7.497 5.995 -6.576 1.00 0.00 C ATOM 878 CD PRO A 58 -6.730 7.256 -6.837 1.00 0.00 C ATOM 0 HA PRO A 58 -8.413 7.067 -9.561 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.058 5.064 -7.708 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.506 5.099 -8.521 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.227 6.136 -5.779 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.834 5.189 -6.261 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -6.589 7.840 -5.928 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.739 7.051 -7.241 1.00 0.00 H new ATOM 886 N GLY A 59 -10.864 6.441 -8.512 1.00 0.00 N ATOM 887 CA GLY A 59 -12.284 6.660 -8.308 1.00 0.00 C ATOM 888 C GLY A 59 -12.628 7.001 -6.872 1.00 0.00 C ATOM 889 O GLY A 59 -12.812 8.170 -6.531 1.00 0.00 O ATOM 0 H GLY A 59 -10.624 5.528 -8.898 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.619 7.468 -8.958 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.831 5.765 -8.605 1.00 0.00 H new ATOM 893 N MET A 60 -12.724 5.979 -6.027 1.00 0.00 N ATOM 894 CA MET A 60 -13.058 6.178 -4.618 1.00 0.00 C ATOM 895 C MET A 60 -11.854 6.692 -3.830 1.00 0.00 C ATOM 896 O MET A 60 -11.455 6.096 -2.826 1.00 0.00 O ATOM 897 CB MET A 60 -13.577 4.872 -4.008 1.00 0.00 C ATOM 898 CG MET A 60 -15.068 4.888 -3.722 1.00 0.00 C ATOM 899 SD MET A 60 -16.019 3.977 -4.953 1.00 0.00 S ATOM 900 CE MET A 60 -16.546 2.561 -3.991 1.00 0.00 C ATOM 0 H MET A 60 -12.576 5.005 -6.292 1.00 0.00 H new ATOM 0 HA MET A 60 -13.842 6.933 -4.560 1.00 0.00 H new ATOM 0 HB2 MET A 60 -13.354 4.049 -4.687 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.039 4.674 -3.081 1.00 0.00 H new ATOM 0 HG2 MET A 60 -15.250 4.459 -2.737 1.00 0.00 H new ATOM 0 HG3 MET A 60 -15.417 5.920 -3.689 1.00 0.00 H new ATOM 0 HE1 MET A 60 -17.147 1.900 -4.616 1.00 0.00 H new ATOM 0 HE2 MET A 60 -15.671 2.021 -3.629 1.00 0.00 H new ATOM 0 HE3 MET A 60 -17.141 2.899 -3.142 1.00 0.00 H new ATOM 910 N ASP A 61 -11.290 7.809 -4.290 1.00 0.00 N ATOM 911 CA ASP A 61 -10.141 8.431 -3.640 1.00 0.00 C ATOM 912 C ASP A 61 -8.966 7.460 -3.526 1.00 0.00 C ATOM 913 O ASP A 61 -7.939 7.636 -4.179 1.00 0.00 O ATOM 914 CB ASP A 61 -10.533 8.946 -2.255 1.00 0.00 C ATOM 915 CG ASP A 61 -10.651 10.457 -2.206 1.00 0.00 C ATOM 916 OD1 ASP A 61 -10.917 11.067 -3.263 1.00 0.00 O ATOM 917 OD2 ASP A 61 -10.479 11.030 -1.110 1.00 0.00 O ATOM 0 H ASP A 61 -11.616 8.305 -5.120 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.823 9.270 -4.259 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.484 8.501 -1.962 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.791 8.620 -1.527 1.00 0.00 H new ATOM 922 N GLY A 62 -9.123 6.445 -2.686 1.00 0.00 N ATOM 923 CA GLY A 62 -8.066 5.469 -2.490 1.00 0.00 C ATOM 924 C GLY A 62 -8.589 4.116 -2.063 1.00 0.00 C ATOM 925 O GLY A 62 -8.034 3.084 -2.432 1.00 0.00 O ATOM 0 H GLY A 62 -9.965 6.279 -2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.502 5.360 -3.417 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.371 5.839 -1.736 1.00 0.00 H new ATOM 929 N LEU A 63 -9.660 4.110 -1.281 1.00 0.00 N ATOM 930 CA LEU A 63 -10.240 2.858 -0.823 1.00 0.00 C ATOM 931 C LEU A 63 -10.726 2.039 -2.016 1.00 0.00 C ATOM 932 O LEU A 63 -10.890 0.822 -1.919 1.00 0.00 O ATOM 933 CB LEU A 63 -11.383 3.098 0.170 1.00 0.00 C ATOM 934 CG LEU A 63 -11.242 4.344 1.055 1.00 0.00 C ATOM 935 CD1 LEU A 63 -11.903 5.560 0.414 1.00 0.00 C ATOM 936 CD2 LEU A 63 -11.818 4.090 2.440 1.00 0.00 C ATOM 0 H LEU A 63 -10.139 4.949 -0.954 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.465 2.297 -0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.316 3.175 -0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.469 2.224 0.815 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.178 4.558 1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.785 6.425 1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.433 5.765 -0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.964 5.361 0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.707 4.986 3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.875 3.838 2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.285 3.263 2.910 1.00 0.00 H new ATOM 948 N ALA A 64 -10.930 2.714 -3.152 1.00 0.00 N ATOM 949 CA ALA A 64 -11.368 2.044 -4.373 1.00 0.00 C ATOM 950 C ALA A 64 -10.421 0.901 -4.707 1.00 0.00 C ATOM 951 O ALA A 64 -10.834 -0.157 -5.184 1.00 0.00 O ATOM 952 CB ALA A 64 -11.417 3.038 -5.526 1.00 0.00 C ATOM 0 H ALA A 64 -10.798 3.721 -3.248 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.368 1.639 -4.216 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.745 2.528 -6.432 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.117 3.839 -5.287 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.424 3.459 -5.686 1.00 0.00 H new ATOM 958 N LEU A 65 -9.142 1.135 -4.440 1.00 0.00 N ATOM 959 CA LEU A 65 -8.100 0.151 -4.690 1.00 0.00 C ATOM 960 C LEU A 65 -8.358 -1.117 -3.890 1.00 0.00 C ATOM 961 O LEU A 65 -8.466 -2.206 -4.453 1.00 0.00 O ATOM 962 CB LEU A 65 -6.736 0.740 -4.326 1.00 0.00 C ATOM 963 CG LEU A 65 -6.547 2.203 -4.731 1.00 0.00 C ATOM 964 CD1 LEU A 65 -5.160 2.691 -4.362 1.00 0.00 C ATOM 965 CD2 LEU A 65 -6.812 2.377 -6.217 1.00 0.00 C ATOM 0 H LEU A 65 -8.800 2.011 -4.045 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.107 -0.107 -5.749 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.593 0.653 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.958 0.142 -4.800 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.267 2.810 -4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.050 3.734 -4.660 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.019 2.605 -3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.413 2.086 -4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.674 3.423 -6.491 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.118 1.758 -6.785 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.835 2.075 -6.442 1.00 0.00 H new ATOM 977 N LEU A 66 -8.467 -0.966 -2.572 1.00 0.00 N ATOM 978 CA LEU A 66 -8.728 -2.098 -1.688 1.00 0.00 C ATOM 979 C LEU A 66 -9.851 -2.965 -2.246 1.00 0.00 C ATOM 980 O LEU A 66 -9.754 -4.191 -2.266 1.00 0.00 O ATOM 981 CB LEU A 66 -9.080 -1.592 -0.290 1.00 0.00 C ATOM 982 CG LEU A 66 -7.966 -0.808 0.400 1.00 0.00 C ATOM 983 CD1 LEU A 66 -8.547 0.221 1.353 1.00 0.00 C ATOM 984 CD2 LEU A 66 -7.026 -1.753 1.128 1.00 0.00 C ATOM 0 H LEU A 66 -8.378 -0.070 -2.093 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.829 -2.711 -1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.964 -0.958 -0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.347 -2.445 0.334 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.394 -0.277 -0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.737 0.769 1.835 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.176 0.917 0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.146 -0.283 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.238 -1.179 1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.583 -2.313 1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.582 -2.446 0.414 1.00 0.00 H new ATOM 996 N LYS A 67 -10.910 -2.311 -2.722 1.00 0.00 N ATOM 997 CA LYS A 67 -12.048 -3.012 -3.313 1.00 0.00 C ATOM 998 C LYS A 67 -11.570 -3.979 -4.393 1.00 0.00 C ATOM 999 O LYS A 67 -11.852 -5.176 -4.344 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.029 -2.007 -3.926 1.00 0.00 C ATOM 1001 CG LYS A 67 -14.481 -2.453 -3.865 1.00 0.00 C ATOM 1002 CD LYS A 67 -15.177 -1.897 -2.635 1.00 0.00 C ATOM 1003 CE LYS A 67 -15.074 -2.849 -1.454 1.00 0.00 C ATOM 1004 NZ LYS A 67 -14.711 -2.134 -0.201 1.00 0.00 N ATOM 0 H LYS A 67 -11.003 -1.295 -2.710 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.553 -3.573 -2.527 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.929 -1.053 -3.408 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.755 -1.834 -4.967 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -15.004 -2.122 -4.762 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.529 -3.542 -3.852 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.734 -0.937 -2.369 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.227 -1.712 -2.863 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.025 -3.363 -1.317 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.326 -3.613 -1.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.724 -2.349 0.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.817 -1.109 -0.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.337 -2.443 0.569 1.00 0.00 H new ATOM 1018 N GLN A 68 -10.835 -3.445 -5.362 1.00 0.00 N ATOM 1019 CA GLN A 68 -10.301 -4.248 -6.454 1.00 0.00 C ATOM 1020 C GLN A 68 -9.226 -5.203 -5.950 1.00 0.00 C ATOM 1021 O GLN A 68 -9.085 -6.319 -6.452 1.00 0.00 O ATOM 1022 CB GLN A 68 -9.705 -3.347 -7.539 1.00 0.00 C ATOM 1023 CG GLN A 68 -10.579 -2.167 -7.927 1.00 0.00 C ATOM 1024 CD GLN A 68 -11.798 -2.583 -8.727 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -11.860 -3.692 -9.257 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -12.776 -1.689 -8.817 1.00 0.00 N ATOM 0 H GLN A 68 -10.595 -2.455 -5.413 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.123 -4.827 -6.874 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.742 -2.972 -7.193 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.512 -3.948 -8.428 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.901 -1.646 -7.025 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.990 -1.460 -8.511 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.681 -0.782 -8.361 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.622 -1.910 -9.342 1.00 0.00 H new ATOM 1035 N ILE A 69 -8.461 -4.752 -4.963 1.00 0.00 N ATOM 1036 CA ILE A 69 -7.385 -5.555 -4.396 1.00 0.00 C ATOM 1037 C ILE A 69 -7.924 -6.794 -3.686 1.00 0.00 C ATOM 1038 O ILE A 69 -7.309 -7.858 -3.718 1.00 0.00 O ATOM 1039 CB ILE A 69 -6.525 -4.713 -3.421 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -5.788 -3.618 -4.196 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -5.524 -5.577 -2.658 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -5.131 -2.583 -3.311 1.00 0.00 C ATOM 0 H ILE A 69 -8.567 -3.831 -4.538 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.757 -5.886 -5.223 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.194 -4.260 -2.690 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.028 -4.080 -4.826 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.493 -3.119 -4.861 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.940 -4.949 -1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.060 -6.329 -2.079 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.856 -6.070 -3.364 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.629 -1.840 -3.931 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.889 -2.093 -2.700 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.401 -3.069 -2.663 1.00 0.00 H new ATOM 1054 N LYS A 70 -9.062 -6.640 -3.034 1.00 0.00 N ATOM 1055 CA LYS A 70 -9.680 -7.734 -2.296 1.00 0.00 C ATOM 1056 C LYS A 70 -10.408 -8.713 -3.212 1.00 0.00 C ATOM 1057 O LYS A 70 -10.576 -9.885 -2.872 1.00 0.00 O ATOM 1058 CB LYS A 70 -10.651 -7.174 -1.262 1.00 0.00 C ATOM 1059 CG LYS A 70 -11.848 -6.468 -1.875 1.00 0.00 C ATOM 1060 CD LYS A 70 -12.966 -6.282 -0.863 1.00 0.00 C ATOM 1061 CE LYS A 70 -14.320 -6.637 -1.454 1.00 0.00 C ATOM 1062 NZ LYS A 70 -15.399 -6.585 -0.433 1.00 0.00 N ATOM 0 H LYS A 70 -9.582 -5.763 -2.999 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.881 -8.285 -1.800 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.004 -7.988 -0.629 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.119 -6.476 -0.616 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.540 -5.496 -2.260 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.216 -7.045 -2.723 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.775 -6.906 0.010 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.978 -5.248 -0.519 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.554 -5.948 -2.266 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.277 -7.637 -1.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.324 -6.546 -0.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.352 -7.435 0.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.277 -5.738 0.158 1.00 0.00 H new ATOM 1076 N GLN A 71 -10.860 -8.226 -4.355 1.00 0.00 N ATOM 1077 CA GLN A 71 -11.599 -9.057 -5.300 1.00 0.00 C ATOM 1078 C GLN A 71 -10.727 -10.137 -5.932 1.00 0.00 C ATOM 1079 O GLN A 71 -11.118 -11.301 -5.999 1.00 0.00 O ATOM 1080 CB GLN A 71 -12.232 -8.187 -6.388 1.00 0.00 C ATOM 1081 CG GLN A 71 -13.674 -7.808 -6.097 1.00 0.00 C ATOM 1082 CD GLN A 71 -14.122 -6.588 -6.878 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -15.026 -6.666 -7.710 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -13.488 -5.453 -6.613 1.00 0.00 N ATOM 0 H GLN A 71 -10.730 -7.260 -4.654 1.00 0.00 H new ATOM 0 HA GLN A 71 -12.382 -9.564 -4.737 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.642 -7.278 -6.504 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.189 -8.719 -7.338 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -14.323 -8.649 -6.339 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -13.787 -7.615 -5.030 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.744 -5.435 -5.915 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.744 -4.598 -7.107 1.00 0.00 H new ATOM 1093 N ARG A 72 -9.565 -9.742 -6.419 1.00 0.00 N ATOM 1094 CA ARG A 72 -8.654 -10.677 -7.079 1.00 0.00 C ATOM 1095 C ARG A 72 -7.648 -11.300 -6.117 1.00 0.00 C ATOM 1096 O ARG A 72 -7.362 -12.494 -6.190 1.00 0.00 O ATOM 1097 CB ARG A 72 -7.912 -9.974 -8.217 1.00 0.00 C ATOM 1098 CG ARG A 72 -8.751 -9.794 -9.474 1.00 0.00 C ATOM 1099 CD ARG A 72 -8.141 -10.519 -10.665 1.00 0.00 C ATOM 1100 NE ARG A 72 -7.380 -9.618 -11.527 1.00 0.00 N ATOM 1101 CZ ARG A 72 -6.715 -10.012 -12.612 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -6.714 -11.290 -12.971 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -6.050 -9.127 -13.340 1.00 0.00 N ATOM 0 H ARG A 72 -9.224 -8.782 -6.373 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.266 -11.487 -7.476 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.577 -8.996 -7.871 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.019 -10.547 -8.466 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -9.759 -10.170 -9.296 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.842 -8.732 -9.702 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.488 -11.316 -10.308 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.933 -10.992 -11.245 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.356 -8.628 -11.284 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.224 -11.976 -12.415 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.203 -11.586 -13.803 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.047 -8.143 -13.070 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.541 -9.429 -14.171 1.00 0.00 H new ATOM 1117 N HIS A 73 -7.101 -10.484 -5.237 1.00 0.00 N ATOM 1118 CA HIS A 73 -6.102 -10.950 -4.277 1.00 0.00 C ATOM 1119 C HIS A 73 -6.752 -11.412 -2.975 1.00 0.00 C ATOM 1120 O HIS A 73 -7.806 -10.911 -2.583 1.00 0.00 O ATOM 1121 CB HIS A 73 -5.078 -9.845 -4.011 1.00 0.00 C ATOM 1122 CG HIS A 73 -4.845 -8.986 -5.212 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -4.983 -7.653 -5.394 1.00 0.00 N flip ATOM 1124 CD2 HIS A 73 -4.465 -9.499 -6.433 1.00 0.00 C flip ATOM 1125 CE1 HIS A 73 -4.692 -7.388 -6.709 1.00 0.00 C flip ATOM 1126 NE2 HIS A 73 -4.381 -8.520 -7.313 1.00 0.00 N flip ATOM 0 H HIS A 73 -7.328 -9.492 -5.162 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.590 -11.810 -4.708 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.423 -9.224 -3.184 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.135 -10.294 -3.700 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.267 -10.541 -6.638 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.714 -6.413 -7.173 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -4.120 -8.621 -8.294 1.00 0.00 H new ATOM 1135 N PRO A 74 -6.133 -12.395 -2.297 1.00 0.00 N ATOM 1136 CA PRO A 74 -6.659 -12.942 -1.046 1.00 0.00 C ATOM 1137 C PRO A 74 -6.485 -11.998 0.144 1.00 0.00 C ATOM 1138 O PRO A 74 -7.441 -11.352 0.573 1.00 0.00 O ATOM 1139 CB PRO A 74 -5.851 -14.224 -0.837 1.00 0.00 C ATOM 1140 CG PRO A 74 -4.592 -14.044 -1.616 1.00 0.00 C ATOM 1141 CD PRO A 74 -4.882 -13.057 -2.717 1.00 0.00 C ATOM 0 HA PRO A 74 -7.735 -13.107 -1.110 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -5.637 -14.383 0.220 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.405 -15.096 -1.185 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.792 -13.678 -0.973 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.258 -14.995 -2.031 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.071 -12.338 -2.830 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.001 -13.557 -3.678 1.00 0.00 H new ATOM 1149 N MET A 75 -5.271 -11.930 0.685 1.00 0.00 N ATOM 1150 CA MET A 75 -5.001 -11.072 1.831 1.00 0.00 C ATOM 1151 C MET A 75 -3.841 -10.125 1.564 1.00 0.00 C ATOM 1152 O MET A 75 -2.971 -9.940 2.415 1.00 0.00 O ATOM 1153 CB MET A 75 -4.710 -11.918 3.073 1.00 0.00 C ATOM 1154 CG MET A 75 -5.944 -12.587 3.654 1.00 0.00 C ATOM 1155 SD MET A 75 -5.658 -14.310 4.098 1.00 0.00 S ATOM 1156 CE MET A 75 -7.092 -14.637 5.120 1.00 0.00 C ATOM 0 H MET A 75 -4.464 -12.456 0.349 1.00 0.00 H new ATOM 0 HA MET A 75 -5.892 -10.469 2.006 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.978 -12.684 2.818 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.257 -11.285 3.836 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.268 -12.037 4.538 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.757 -12.533 2.929 1.00 0.00 H new ATOM 0 HE1 MET A 75 -7.060 -15.668 5.473 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.092 -13.960 5.975 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.999 -14.482 4.535 1.00 0.00 H new ATOM 1166 N LEU A 76 -3.836 -9.517 0.384 1.00 0.00 N ATOM 1167 CA LEU A 76 -2.782 -8.578 0.021 1.00 0.00 C ATOM 1168 C LEU A 76 -2.755 -7.402 0.999 1.00 0.00 C ATOM 1169 O LEU A 76 -3.665 -6.576 1.004 1.00 0.00 O ATOM 1170 CB LEU A 76 -2.988 -8.065 -1.411 1.00 0.00 C ATOM 1171 CG LEU A 76 -1.727 -7.610 -2.146 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -1.389 -6.187 -1.741 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -0.564 -8.553 -1.871 1.00 0.00 C ATOM 0 H LEU A 76 -4.546 -9.656 -0.335 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.826 -9.100 0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.460 -8.855 -1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.688 -7.230 -1.380 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.914 -7.634 -3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.490 -5.863 -2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.218 -5.528 -2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.216 -6.146 -0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.320 -8.206 -2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.356 -8.572 -0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.822 -9.557 -2.209 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.718 -7.317 1.853 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.594 -6.234 2.842 1.00 0.00 C ATOM 1187 C PRO A 77 -1.519 -4.858 2.180 1.00 0.00 C ATOM 1188 O PRO A 77 -0.568 -4.561 1.460 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.275 -6.557 3.560 1.00 0.00 C ATOM 1190 CG PRO A 77 -0.056 -8.010 3.313 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.592 -8.264 1.937 1.00 0.00 C ATOM 0 HA PRO A 77 -2.455 -6.186 3.509 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.547 -5.960 3.165 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.342 -6.342 4.627 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.002 -8.264 3.376 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.574 -8.617 4.055 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.157 -8.073 1.168 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.920 -9.296 1.813 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.526 -4.020 2.427 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.558 -2.679 1.848 1.00 0.00 C ATOM 1201 C VAL A 78 -2.473 -1.607 2.927 1.00 0.00 C ATOM 1202 O VAL A 78 -2.902 -1.813 4.063 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.837 -2.435 1.022 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.684 -1.197 0.147 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.183 -3.651 0.174 1.00 0.00 C ATOM 0 H VAL A 78 -3.325 -4.245 3.020 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.690 -2.614 1.191 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.658 -2.266 1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.597 -1.042 -0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.500 -0.327 0.777 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.845 -1.335 -0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.089 -3.450 -0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.362 -3.863 -0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.346 -4.512 0.822 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.927 -0.455 2.555 1.00 0.00 N ATOM 1216 CA ILE A 79 -1.793 0.664 3.473 1.00 0.00 C ATOM 1217 C ILE A 79 -2.139 1.970 2.777 1.00 0.00 C ATOM 1218 O ILE A 79 -1.426 2.413 1.879 1.00 0.00 O ATOM 1219 CB ILE A 79 -0.364 0.793 4.030 1.00 0.00 C ATOM 1220 CG1 ILE A 79 0.150 -0.546 4.555 1.00 0.00 C ATOM 1221 CG2 ILE A 79 -0.324 1.852 5.119 1.00 0.00 C ATOM 1222 CD1 ILE A 79 1.418 -0.996 3.870 1.00 0.00 C ATOM 0 H ILE A 79 -1.569 -0.273 1.617 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.481 0.468 4.295 1.00 0.00 H new ATOM 0 HB ILE A 79 0.294 1.100 3.217 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.331 -0.465 5.627 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.620 -1.305 4.418 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.691 1.936 5.507 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.635 2.811 4.705 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.999 1.569 5.927 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.736 -1.953 4.284 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.235 -1.106 2.801 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.201 -0.254 4.029 1.00 0.00 H new ATOM 1234 N ILE A 80 -3.233 2.582 3.197 1.00 0.00 N ATOM 1235 CA ILE A 80 -3.668 3.839 2.610 1.00 0.00 C ATOM 1236 C ILE A 80 -3.163 5.028 3.425 1.00 0.00 C ATOM 1237 O ILE A 80 -3.095 4.966 4.653 1.00 0.00 O ATOM 1238 CB ILE A 80 -5.199 3.880 2.491 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -5.706 2.544 1.944 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -5.629 5.020 1.586 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -5.207 2.243 0.547 1.00 0.00 C ATOM 0 H ILE A 80 -3.836 2.230 3.941 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.241 3.908 1.609 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.629 4.048 3.478 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.395 1.743 2.614 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.796 2.551 1.940 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.716 5.035 1.512 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.280 5.966 2.001 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.200 4.879 0.594 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.603 1.282 0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.541 3.025 -0.135 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.118 2.205 0.550 1.00 0.00 H new ATOM 1253 N MET A 81 -2.779 6.100 2.732 1.00 0.00 N ATOM 1254 CA MET A 81 -2.244 7.288 3.393 1.00 0.00 C ATOM 1255 C MET A 81 -3.320 8.071 4.150 1.00 0.00 C ATOM 1256 O MET A 81 -3.021 8.749 5.132 1.00 0.00 O ATOM 1257 CB MET A 81 -1.542 8.195 2.377 1.00 0.00 C ATOM 1258 CG MET A 81 -2.417 8.640 1.218 1.00 0.00 C ATOM 1259 SD MET A 81 -2.733 10.418 1.226 1.00 0.00 S ATOM 1260 CE MET A 81 -1.087 11.055 0.910 1.00 0.00 C ATOM 0 H MET A 81 -2.829 6.169 1.716 1.00 0.00 H new ATOM 0 HA MET A 81 -1.519 6.943 4.130 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.170 9.079 2.895 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.674 7.670 1.979 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.937 8.365 0.279 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.366 8.106 1.259 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.670 11.460 1.832 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.449 10.250 0.546 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.140 11.843 0.159 1.00 0.00 H new ATOM 1270 N THR A 82 -4.568 7.970 3.705 1.00 0.00 N ATOM 1271 CA THR A 82 -5.670 8.670 4.367 1.00 0.00 C ATOM 1272 C THR A 82 -6.957 7.864 4.270 1.00 0.00 C ATOM 1273 O THR A 82 -7.055 6.935 3.474 1.00 0.00 O ATOM 1274 CB THR A 82 -5.872 10.064 3.770 1.00 0.00 C ATOM 1275 OG1 THR A 82 -4.629 10.715 3.572 1.00 0.00 O ATOM 1276 CG2 THR A 82 -6.728 10.962 4.637 1.00 0.00 C ATOM 0 H THR A 82 -4.844 7.415 2.895 1.00 0.00 H new ATOM 0 HA THR A 82 -5.409 8.782 5.419 1.00 0.00 H new ATOM 0 HB THR A 82 -6.383 9.901 2.821 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.268 10.471 2.694 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.834 11.936 4.159 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.712 10.512 4.766 1.00 0.00 H new ATOM 0 HG23 THR A 82 -6.255 11.085 5.611 1.00 0.00 H new ATOM 1284 N ALA A 83 -7.946 8.215 5.086 1.00 0.00 N ATOM 1285 CA ALA A 83 -9.219 7.503 5.081 1.00 0.00 C ATOM 1286 C ALA A 83 -10.400 8.462 4.961 1.00 0.00 C ATOM 1287 O ALA A 83 -11.449 8.248 5.568 1.00 0.00 O ATOM 1288 CB ALA A 83 -9.346 6.656 6.337 1.00 0.00 C ATOM 0 H ALA A 83 -7.891 8.983 5.755 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.237 6.852 4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.299 6.128 6.325 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.531 5.933 6.372 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.299 7.299 7.216 1.00 0.00 H new ATOM 1294 N HIS A 84 -10.228 9.514 4.172 1.00 0.00 N ATOM 1295 CA HIS A 84 -11.287 10.499 3.974 1.00 0.00 C ATOM 1296 C HIS A 84 -12.231 10.060 2.858 1.00 0.00 C ATOM 1297 O HIS A 84 -12.128 8.944 2.349 1.00 0.00 O ATOM 1298 CB HIS A 84 -10.683 11.867 3.648 1.00 0.00 C ATOM 1299 CG HIS A 84 -9.643 11.819 2.574 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -8.665 12.779 2.431 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -9.424 10.912 1.592 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -7.890 12.467 1.407 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -8.330 11.338 0.882 1.00 0.00 N ATOM 0 H HIS A 84 -9.368 9.709 3.659 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.860 10.577 4.898 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -11.480 12.544 3.341 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.241 12.285 4.552 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -10.003 10.020 1.403 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -7.042 13.038 1.059 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -7.922 10.860 0.078 1.00 0.00 H new ATOM 1312 N SER A 85 -13.153 10.947 2.486 1.00 0.00 N ATOM 1313 CA SER A 85 -14.121 10.665 1.430 1.00 0.00 C ATOM 1314 C SER A 85 -15.122 9.594 1.863 1.00 0.00 C ATOM 1315 O SER A 85 -16.251 9.909 2.241 1.00 0.00 O ATOM 1316 CB SER A 85 -13.412 10.233 0.144 1.00 0.00 C ATOM 1317 OG SER A 85 -14.347 9.830 -0.842 1.00 0.00 O ATOM 0 H SER A 85 -13.249 11.872 2.904 1.00 0.00 H new ATOM 0 HA SER A 85 -14.671 11.586 1.236 1.00 0.00 H new ATOM 0 HB2 SER A 85 -12.809 11.057 -0.237 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.729 9.411 0.360 1.00 0.00 H new ATOM 0 HG SER A 85 -13.870 9.560 -1.654 1.00 0.00 H new ATOM 1323 N ASP A 86 -14.710 8.333 1.798 1.00 0.00 N ATOM 1324 CA ASP A 86 -15.586 7.229 2.178 1.00 0.00 C ATOM 1325 C ASP A 86 -14.813 6.137 2.917 1.00 0.00 C ATOM 1326 O ASP A 86 -14.444 5.119 2.334 1.00 0.00 O ATOM 1327 CB ASP A 86 -16.270 6.651 0.935 1.00 0.00 C ATOM 1328 CG ASP A 86 -17.771 6.866 0.953 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -18.208 8.015 0.734 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -18.508 5.886 1.185 1.00 0.00 O ATOM 0 H ASP A 86 -13.781 8.050 1.488 1.00 0.00 H new ATOM 0 HA ASP A 86 -16.346 7.616 2.856 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.849 7.114 0.043 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -16.059 5.584 0.870 1.00 0.00 H new ATOM 1335 N LEU A 87 -14.575 6.365 4.208 1.00 0.00 N ATOM 1336 CA LEU A 87 -13.850 5.414 5.047 1.00 0.00 C ATOM 1337 C LEU A 87 -14.504 4.034 5.027 1.00 0.00 C ATOM 1338 O LEU A 87 -13.861 3.027 5.324 1.00 0.00 O ATOM 1339 CB LEU A 87 -13.782 5.934 6.488 1.00 0.00 C ATOM 1340 CG LEU A 87 -12.414 5.813 7.163 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -12.463 6.370 8.578 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -11.952 4.367 7.179 1.00 0.00 C ATOM 0 H LEU A 87 -14.877 7.207 4.698 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.842 5.315 4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.080 6.983 6.493 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.514 5.392 7.087 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.697 6.398 6.587 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.481 6.275 9.041 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.748 7.421 8.545 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.195 5.813 9.163 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.978 4.302 7.663 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.672 3.761 7.729 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.874 3.998 6.156 1.00 0.00 H new ATOM 1354 N ASP A 88 -15.784 3.995 4.677 1.00 0.00 N ATOM 1355 CA ASP A 88 -16.531 2.739 4.627 1.00 0.00 C ATOM 1356 C ASP A 88 -15.764 1.655 3.865 1.00 0.00 C ATOM 1357 O ASP A 88 -15.602 0.538 4.358 1.00 0.00 O ATOM 1358 CB ASP A 88 -17.895 2.968 3.967 1.00 0.00 C ATOM 1359 CG ASP A 88 -18.909 1.898 4.335 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -18.520 0.714 4.412 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -20.089 2.247 4.543 1.00 0.00 O ATOM 0 H ASP A 88 -16.329 4.819 4.423 1.00 0.00 H new ATOM 0 HA ASP A 88 -16.671 2.395 5.652 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -18.279 3.944 4.263 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -17.772 2.989 2.884 1.00 0.00 H new ATOM 1366 N ALA A 89 -15.294 1.990 2.665 1.00 0.00 N ATOM 1367 CA ALA A 89 -14.549 1.039 1.843 1.00 0.00 C ATOM 1368 C ALA A 89 -13.318 0.511 2.567 1.00 0.00 C ATOM 1369 O ALA A 89 -12.783 -0.541 2.214 1.00 0.00 O ATOM 1370 CB ALA A 89 -14.148 1.683 0.525 1.00 0.00 C ATOM 0 H ALA A 89 -15.415 2.910 2.241 1.00 0.00 H new ATOM 0 HA ALA A 89 -15.204 0.191 1.643 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.594 0.964 -0.078 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -15.042 1.995 -0.014 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.520 2.552 0.721 1.00 0.00 H new ATOM 1376 N ALA A 90 -12.871 1.239 3.581 1.00 0.00 N ATOM 1377 CA ALA A 90 -11.707 0.829 4.350 1.00 0.00 C ATOM 1378 C ALA A 90 -12.043 -0.343 5.265 1.00 0.00 C ATOM 1379 O ALA A 90 -11.166 -1.124 5.630 1.00 0.00 O ATOM 1380 CB ALA A 90 -11.170 1.991 5.172 1.00 0.00 C ATOM 0 H ALA A 90 -13.296 2.114 3.889 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.938 0.510 3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.299 1.663 5.740 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.884 2.806 4.507 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.942 2.338 5.859 1.00 0.00 H new ATOM 1386 N VAL A 91 -13.316 -0.459 5.642 1.00 0.00 N ATOM 1387 CA VAL A 91 -13.740 -1.538 6.525 1.00 0.00 C ATOM 1388 C VAL A 91 -13.571 -2.898 5.864 1.00 0.00 C ATOM 1389 O VAL A 91 -12.975 -3.805 6.441 1.00 0.00 O ATOM 1390 CB VAL A 91 -15.196 -1.391 6.997 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -15.468 -2.379 8.122 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -15.481 0.037 7.451 1.00 0.00 C ATOM 0 H VAL A 91 -14.062 0.174 5.352 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.091 -1.469 7.398 1.00 0.00 H new ATOM 0 HB VAL A 91 -15.861 -1.610 6.162 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -16.500 -2.275 8.456 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -15.304 -3.395 7.762 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -14.795 -2.176 8.955 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -16.517 0.114 7.780 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -14.818 0.295 8.277 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -15.312 0.723 6.621 1.00 0.00 H new ATOM 1402 N SER A 92 -14.087 -3.039 4.650 1.00 0.00 N ATOM 1403 CA SER A 92 -13.967 -4.296 3.933 1.00 0.00 C ATOM 1404 C SER A 92 -12.498 -4.615 3.674 1.00 0.00 C ATOM 1405 O SER A 92 -12.123 -5.772 3.504 1.00 0.00 O ATOM 1406 CB SER A 92 -14.742 -4.247 2.620 1.00 0.00 C ATOM 1407 OG SER A 92 -16.011 -3.642 2.800 1.00 0.00 O ATOM 0 H SER A 92 -14.587 -2.306 4.148 1.00 0.00 H new ATOM 0 HA SER A 92 -14.395 -5.087 4.549 1.00 0.00 H new ATOM 0 HB2 SER A 92 -14.171 -3.689 1.878 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.869 -5.257 2.231 1.00 0.00 H new ATOM 0 HG SER A 92 -16.488 -3.621 1.944 1.00 0.00 H new ATOM 1413 N ALA A 93 -11.663 -3.579 3.665 1.00 0.00 N ATOM 1414 CA ALA A 93 -10.240 -3.766 3.451 1.00 0.00 C ATOM 1415 C ALA A 93 -9.655 -4.616 4.568 1.00 0.00 C ATOM 1416 O ALA A 93 -8.809 -5.475 4.339 1.00 0.00 O ATOM 1417 CB ALA A 93 -9.531 -2.427 3.364 1.00 0.00 C ATOM 0 H ALA A 93 -11.949 -2.610 3.803 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.092 -4.285 2.504 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.465 -2.589 3.203 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.940 -1.852 2.533 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.678 -1.876 4.293 1.00 0.00 H new ATOM 1423 N TYR A 94 -10.142 -4.384 5.778 1.00 0.00 N ATOM 1424 CA TYR A 94 -9.696 -5.150 6.933 1.00 0.00 C ATOM 1425 C TYR A 94 -10.177 -6.591 6.806 1.00 0.00 C ATOM 1426 O TYR A 94 -9.602 -7.510 7.388 1.00 0.00 O ATOM 1427 CB TYR A 94 -10.227 -4.539 8.233 1.00 0.00 C ATOM 1428 CG TYR A 94 -10.137 -3.030 8.284 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -8.933 -2.377 8.049 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -11.256 -2.260 8.576 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -8.847 -0.998 8.101 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -11.176 -0.881 8.630 1.00 0.00 C ATOM 1433 CZ TYR A 94 -9.971 -0.256 8.392 1.00 0.00 C ATOM 1434 OH TYR A 94 -9.890 1.117 8.448 1.00 0.00 O ATOM 0 H TYR A 94 -10.844 -3.674 5.986 1.00 0.00 H new ATOM 0 HA TYR A 94 -8.607 -5.127 6.964 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -11.268 -4.835 8.363 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -9.670 -4.955 9.072 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.050 -2.956 7.822 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -12.202 -2.746 8.764 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.904 -0.505 7.915 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -12.055 -0.296 8.858 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.771 1.488 8.664 1.00 0.00 H new ATOM 1444 N GLN A 95 -11.236 -6.766 6.022 1.00 0.00 N ATOM 1445 CA GLN A 95 -11.814 -8.079 5.782 1.00 0.00 C ATOM 1446 C GLN A 95 -10.956 -8.848 4.781 1.00 0.00 C ATOM 1447 O GLN A 95 -10.767 -10.057 4.916 1.00 0.00 O ATOM 1448 CB GLN A 95 -13.264 -7.931 5.284 1.00 0.00 C ATOM 1449 CG GLN A 95 -13.754 -9.039 4.353 1.00 0.00 C ATOM 1450 CD GLN A 95 -14.327 -8.496 3.057 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -15.411 -8.892 2.630 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -13.599 -7.581 2.424 1.00 0.00 N ATOM 0 H GLN A 95 -11.714 -6.005 5.539 1.00 0.00 H new ATOM 0 HA GLN A 95 -11.835 -8.645 6.713 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -13.925 -7.889 6.150 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.356 -6.977 4.765 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.927 -9.712 4.127 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -14.515 -9.629 4.864 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.705 -7.281 2.814 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -13.934 -7.179 1.549 1.00 0.00 H new ATOM 1461 N GLN A 96 -10.437 -8.145 3.777 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.607 -8.782 2.770 1.00 0.00 C ATOM 1463 C GLN A 96 -8.177 -8.966 3.266 1.00 0.00 C ATOM 1464 O GLN A 96 -7.438 -9.787 2.734 1.00 0.00 O ATOM 1465 CB GLN A 96 -9.608 -7.968 1.470 1.00 0.00 C ATOM 1466 CG GLN A 96 -8.804 -6.679 1.551 1.00 0.00 C ATOM 1467 CD GLN A 96 -7.431 -6.796 0.912 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -7.006 -7.883 0.518 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -6.728 -5.672 0.813 1.00 0.00 N ATOM 0 H GLN A 96 -10.577 -7.144 3.643 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.031 -9.766 2.571 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.207 -8.585 0.666 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -10.637 -7.727 1.204 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.360 -5.879 1.062 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.689 -6.394 2.597 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.120 -4.794 1.153 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.797 -5.688 0.397 1.00 0.00 H new ATOM 1478 N GLY A 97 -7.795 -8.216 4.298 1.00 0.00 N ATOM 1479 CA GLY A 97 -6.452 -8.338 4.845 1.00 0.00 C ATOM 1480 C GLY A 97 -5.639 -7.058 4.737 1.00 0.00 C ATOM 1481 O GLY A 97 -4.415 -7.103 4.603 1.00 0.00 O ATOM 0 H GLY A 97 -8.388 -7.529 4.764 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.519 -8.630 5.893 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.927 -9.139 4.324 1.00 0.00 H new ATOM 1485 N ALA A 98 -6.315 -5.916 4.803 1.00 0.00 N ATOM 1486 CA ALA A 98 -5.648 -4.623 4.721 1.00 0.00 C ATOM 1487 C ALA A 98 -4.771 -4.387 5.949 1.00 0.00 C ATOM 1488 O ALA A 98 -5.056 -4.904 7.028 1.00 0.00 O ATOM 1489 CB ALA A 98 -6.680 -3.516 4.584 1.00 0.00 C ATOM 0 H ALA A 98 -7.327 -5.860 4.913 1.00 0.00 H new ATOM 0 HA ALA A 98 -5.005 -4.618 3.841 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.174 -2.552 4.523 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.267 -3.675 3.679 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.340 -3.525 5.451 1.00 0.00 H new ATOM 1495 N PHE A 99 -3.702 -3.610 5.786 1.00 0.00 N ATOM 1496 CA PHE A 99 -2.800 -3.330 6.894 1.00 0.00 C ATOM 1497 C PHE A 99 -3.394 -2.297 7.845 1.00 0.00 C ATOM 1498 O PHE A 99 -3.492 -2.540 9.047 1.00 0.00 O ATOM 1499 CB PHE A 99 -1.448 -2.838 6.376 1.00 0.00 C ATOM 1500 CG PHE A 99 -0.347 -2.953 7.390 1.00 0.00 C ATOM 1501 CD1 PHE A 99 0.006 -4.187 7.910 1.00 0.00 C ATOM 1502 CD2 PHE A 99 0.333 -1.827 7.825 1.00 0.00 C ATOM 1503 CE1 PHE A 99 1.016 -4.297 8.844 1.00 0.00 C ATOM 1504 CE2 PHE A 99 1.345 -1.930 8.759 1.00 0.00 C ATOM 1505 CZ PHE A 99 1.687 -3.166 9.269 1.00 0.00 C ATOM 0 H PHE A 99 -3.443 -3.168 4.904 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.656 -4.261 7.443 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.177 -3.410 5.489 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.542 -1.797 6.068 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.515 -5.074 7.581 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.069 -0.858 7.429 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.282 -5.265 9.242 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.868 -1.045 9.090 1.00 0.00 H new ATOM 0 HZ PHE A 99 2.478 -3.249 9.999 1.00 0.00 H new ATOM 1515 N ASP A 100 -3.793 -1.145 7.302 1.00 0.00 N ATOM 1516 CA ASP A 100 -4.381 -0.072 8.113 1.00 0.00 C ATOM 1517 C ASP A 100 -4.549 1.209 7.303 1.00 0.00 C ATOM 1518 O ASP A 100 -4.407 1.216 6.080 1.00 0.00 O ATOM 1519 CB ASP A 100 -3.512 0.220 9.349 1.00 0.00 C ATOM 1520 CG ASP A 100 -4.335 0.501 10.593 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -5.512 0.893 10.452 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -3.798 0.335 11.709 1.00 0.00 O ATOM 0 H ASP A 100 -3.721 -0.930 6.308 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.364 -0.416 8.435 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -2.857 -0.631 9.537 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -2.870 1.076 9.142 1.00 0.00 H new ATOM 1527 N TYR A 101 -4.852 2.293 8.009 1.00 0.00 N ATOM 1528 CA TYR A 101 -5.046 3.596 7.389 1.00 0.00 C ATOM 1529 C TYR A 101 -4.293 4.664 8.173 1.00 0.00 C ATOM 1530 O TYR A 101 -4.078 4.521 9.376 1.00 0.00 O ATOM 1531 CB TYR A 101 -6.538 3.934 7.344 1.00 0.00 C ATOM 1532 CG TYR A 101 -7.194 3.622 6.020 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -7.563 2.322 5.692 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -7.444 4.627 5.097 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -8.163 2.036 4.480 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -8.045 4.350 3.884 1.00 0.00 C ATOM 1537 CZ TYR A 101 -8.402 3.054 3.581 1.00 0.00 C ATOM 1538 OH TYR A 101 -8.997 2.773 2.372 1.00 0.00 O ATOM 0 H TYR A 101 -4.969 2.292 9.022 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.658 3.566 6.371 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -7.050 3.381 8.132 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -6.668 4.994 7.562 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -7.378 1.523 6.395 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -7.164 5.644 5.331 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.443 1.021 4.239 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.234 5.145 3.177 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.590 3.324 1.671 1.00 0.00 H new ATOM 1548 N LEU A 102 -3.890 5.734 7.496 1.00 0.00 N ATOM 1549 CA LEU A 102 -3.162 6.811 8.154 1.00 0.00 C ATOM 1550 C LEU A 102 -4.056 8.031 8.364 1.00 0.00 C ATOM 1551 O LEU A 102 -4.558 8.612 7.402 1.00 0.00 O ATOM 1552 CB LEU A 102 -1.926 7.192 7.337 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.590 6.819 7.976 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -0.563 5.352 8.350 1.00 0.00 C ATOM 1555 CD2 LEU A 102 0.552 7.135 7.035 1.00 0.00 C ATOM 0 H LEU A 102 -4.054 5.878 6.500 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.842 6.455 9.133 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.992 6.711 6.361 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.941 8.268 7.164 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.473 7.410 8.885 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.398 5.110 8.803 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.362 5.143 9.061 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.705 4.746 7.455 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.497 6.863 7.505 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.430 6.568 6.112 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.553 8.201 6.809 1.00 0.00 H new ATOM 1567 N PRO A 103 -4.273 8.439 9.630 1.00 0.00 N ATOM 1568 CA PRO A 103 -5.110 9.588 9.947 1.00 0.00 C ATOM 1569 C PRO A 103 -4.369 10.913 9.786 1.00 0.00 C ATOM 1570 O PRO A 103 -4.581 11.636 8.811 1.00 0.00 O ATOM 1571 CB PRO A 103 -5.506 9.355 11.406 1.00 0.00 C ATOM 1572 CG PRO A 103 -4.451 8.464 11.985 1.00 0.00 C ATOM 1573 CD PRO A 103 -3.716 7.808 10.840 1.00 0.00 C ATOM 0 HA PRO A 103 -5.964 9.666 9.275 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.562 10.298 11.950 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -6.489 8.890 11.473 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -3.761 9.041 12.601 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.901 7.710 12.631 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.641 7.972 10.913 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.874 6.730 10.833 1.00 0.00 H new ATOM 1581 N LYS A 104 -3.509 11.234 10.746 1.00 0.00 N ATOM 1582 CA LYS A 104 -2.751 12.480 10.702 1.00 0.00 C ATOM 1583 C LYS A 104 -1.331 12.259 10.182 1.00 0.00 C ATOM 1584 O LYS A 104 -0.954 12.810 9.146 1.00 0.00 O ATOM 1585 CB LYS A 104 -2.709 13.129 12.086 1.00 0.00 C ATOM 1586 CG LYS A 104 -3.486 14.430 12.161 1.00 0.00 C ATOM 1587 CD LYS A 104 -3.725 14.855 13.598 1.00 0.00 C ATOM 1588 CE LYS A 104 -2.663 15.834 14.069 1.00 0.00 C ATOM 1589 NZ LYS A 104 -2.748 17.132 13.344 1.00 0.00 N ATOM 0 H LYS A 104 -3.319 10.652 11.562 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.260 13.149 10.009 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.111 12.431 12.820 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.671 13.317 12.360 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.938 15.212 11.636 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.442 14.313 11.651 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.710 15.314 13.684 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.725 13.977 14.244 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -2.777 16.007 15.139 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.675 15.398 13.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -2.355 17.889 13.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.206 17.071 12.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -3.743 17.344 13.127 1.00 0.00 H new ATOM 1603 N PRO A 105 -0.517 11.457 10.890 1.00 0.00 N ATOM 1604 CA PRO A 105 0.864 11.187 10.479 1.00 0.00 C ATOM 1605 C PRO A 105 0.944 10.556 9.093 1.00 0.00 C ATOM 1606 O PRO A 105 0.044 9.827 8.676 1.00 0.00 O ATOM 1607 CB PRO A 105 1.388 10.214 11.544 1.00 0.00 C ATOM 1608 CG PRO A 105 0.171 9.670 12.211 1.00 0.00 C ATOM 1609 CD PRO A 105 -0.864 10.754 12.136 1.00 0.00 C ATOM 0 HA PRO A 105 1.447 12.105 10.409 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.979 9.417 11.092 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.034 10.724 12.259 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.175 8.765 11.712 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.381 9.402 13.247 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.874 10.346 12.101 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -0.818 11.417 13.000 1.00 0.00 H new ATOM 1617 N PHE A 106 2.036 10.839 8.393 1.00 0.00 N ATOM 1618 CA PHE A 106 2.260 10.302 7.056 1.00 0.00 C ATOM 1619 C PHE A 106 3.753 10.380 6.705 1.00 0.00 C ATOM 1620 O PHE A 106 4.558 9.681 7.313 1.00 0.00 O ATOM 1621 CB PHE A 106 1.400 11.049 6.022 1.00 0.00 C ATOM 1622 CG PHE A 106 1.509 10.487 4.628 1.00 0.00 C ATOM 1623 CD1 PHE A 106 1.139 9.182 4.368 1.00 0.00 C ATOM 1624 CD2 PHE A 106 1.983 11.266 3.582 1.00 0.00 C ATOM 1625 CE1 PHE A 106 1.238 8.658 3.097 1.00 0.00 C ATOM 1626 CE2 PHE A 106 2.083 10.745 2.304 1.00 0.00 C ATOM 1627 CZ PHE A 106 1.711 9.438 2.063 1.00 0.00 C ATOM 0 H PHE A 106 2.785 11.442 8.732 1.00 0.00 H new ATOM 0 HA PHE A 106 1.959 9.254 7.037 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.357 11.016 6.337 1.00 0.00 H new ATOM 0 HB3 PHE A 106 1.695 12.098 6.006 1.00 0.00 H new ATOM 0 HD1 PHE A 106 0.767 8.564 5.172 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.277 12.289 3.767 1.00 0.00 H new ATOM 0 HE1 PHE A 106 0.945 7.635 2.911 1.00 0.00 H new ATOM 0 HE2 PHE A 106 2.452 11.360 1.496 1.00 0.00 H new ATOM 0 HZ PHE A 106 1.790 9.027 1.067 1.00 0.00 H new ATOM 1637 N ASP A 107 4.130 11.232 5.742 1.00 0.00 N ATOM 1638 CA ASP A 107 5.533 11.382 5.337 1.00 0.00 C ATOM 1639 C ASP A 107 6.269 10.036 5.312 1.00 0.00 C ATOM 1640 O ASP A 107 5.689 8.992 5.603 1.00 0.00 O ATOM 1641 CB ASP A 107 6.249 12.363 6.269 1.00 0.00 C ATOM 1642 CG ASP A 107 6.326 11.859 7.693 1.00 0.00 C ATOM 1643 OD1 ASP A 107 6.975 10.816 7.918 1.00 0.00 O ATOM 1644 OD2 ASP A 107 5.738 12.507 8.587 1.00 0.00 O ATOM 0 H ASP A 107 3.481 11.828 5.229 1.00 0.00 H new ATOM 0 HA ASP A 107 5.543 11.778 4.322 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.257 12.543 5.896 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.728 13.320 6.254 1.00 0.00 H new ATOM 1649 N ILE A 108 7.544 10.059 4.946 1.00 0.00 N ATOM 1650 CA ILE A 108 8.332 8.834 4.876 1.00 0.00 C ATOM 1651 C ILE A 108 8.564 8.231 6.257 1.00 0.00 C ATOM 1652 O ILE A 108 8.476 7.020 6.438 1.00 0.00 O ATOM 1653 CB ILE A 108 9.676 9.070 4.147 1.00 0.00 C ATOM 1654 CG1 ILE A 108 9.690 8.344 2.802 1.00 0.00 C ATOM 1655 CG2 ILE A 108 10.857 8.611 4.989 1.00 0.00 C ATOM 1656 CD1 ILE A 108 8.455 8.583 1.952 1.00 0.00 C ATOM 0 H ILE A 108 8.053 10.907 4.694 1.00 0.00 H new ATOM 0 HA ILE A 108 7.754 8.115 4.295 1.00 0.00 H new ATOM 0 HB ILE A 108 9.772 10.143 3.980 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.570 8.659 2.241 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.793 7.274 2.981 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.784 8.792 4.445 1.00 0.00 H new ATOM 0 HG22 ILE A 108 10.872 9.166 5.927 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.762 7.546 5.199 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.546 8.032 1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.571 8.241 2.490 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.360 9.648 1.739 1.00 0.00 H new ATOM 1668 N ASP A 109 8.871 9.076 7.222 1.00 0.00 N ATOM 1669 CA ASP A 109 9.130 8.610 8.585 1.00 0.00 C ATOM 1670 C ASP A 109 8.024 7.672 9.073 1.00 0.00 C ATOM 1671 O ASP A 109 8.294 6.527 9.429 1.00 0.00 O ATOM 1672 CB ASP A 109 9.277 9.786 9.553 1.00 0.00 C ATOM 1673 CG ASP A 109 10.656 10.415 9.496 1.00 0.00 C ATOM 1674 OD1 ASP A 109 11.256 10.431 8.400 1.00 0.00 O ATOM 1675 OD2 ASP A 109 11.135 10.891 10.547 1.00 0.00 O ATOM 0 H ASP A 109 8.949 10.085 7.096 1.00 0.00 H new ATOM 0 HA ASP A 109 10.069 8.057 8.561 1.00 0.00 H new ATOM 0 HB2 ASP A 109 8.527 10.541 9.319 1.00 0.00 H new ATOM 0 HB3 ASP A 109 9.079 9.444 10.569 1.00 0.00 H new ATOM 1680 N GLU A 110 6.785 8.158 9.089 1.00 0.00 N ATOM 1681 CA GLU A 110 5.653 7.353 9.538 1.00 0.00 C ATOM 1682 C GLU A 110 5.279 6.304 8.497 1.00 0.00 C ATOM 1683 O GLU A 110 4.879 5.190 8.840 1.00 0.00 O ATOM 1684 CB GLU A 110 4.440 8.241 9.850 1.00 0.00 C ATOM 1685 CG GLU A 110 4.502 8.923 11.208 1.00 0.00 C ATOM 1686 CD GLU A 110 4.043 8.020 12.336 1.00 0.00 C ATOM 1687 OE1 GLU A 110 2.820 7.787 12.450 1.00 0.00 O ATOM 1688 OE2 GLU A 110 4.903 7.546 13.106 1.00 0.00 O ATOM 0 H GLU A 110 6.540 9.104 8.797 1.00 0.00 H new ATOM 0 HA GLU A 110 5.955 6.840 10.451 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.353 9.004 9.076 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.536 7.633 9.802 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.524 9.248 11.401 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.881 9.819 11.189 1.00 0.00 H new ATOM 1695 N ALA A 111 5.416 6.663 7.227 1.00 0.00 N ATOM 1696 CA ALA A 111 5.093 5.750 6.135 1.00 0.00 C ATOM 1697 C ALA A 111 6.025 4.542 6.141 1.00 0.00 C ATOM 1698 O ALA A 111 5.572 3.399 6.204 1.00 0.00 O ATOM 1699 CB ALA A 111 5.158 6.470 4.796 1.00 0.00 C ATOM 0 H ALA A 111 5.748 7.579 6.926 1.00 0.00 H new ATOM 0 HA ALA A 111 4.074 5.393 6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 111 4.914 5.772 3.995 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.443 7.293 4.790 1.00 0.00 H new ATOM 0 HB3 ALA A 111 6.163 6.862 4.642 1.00 0.00 H new ATOM 1705 N VAL A 112 7.328 4.800 6.085 1.00 0.00 N ATOM 1706 CA VAL A 112 8.314 3.729 6.096 1.00 0.00 C ATOM 1707 C VAL A 112 8.260 2.964 7.413 1.00 0.00 C ATOM 1708 O VAL A 112 8.510 1.760 7.468 1.00 0.00 O ATOM 1709 CB VAL A 112 9.740 4.263 5.884 1.00 0.00 C ATOM 1710 CG1 VAL A 112 10.734 3.111 5.847 1.00 0.00 C ATOM 1711 CG2 VAL A 112 9.817 5.093 4.610 1.00 0.00 C ATOM 0 H VAL A 112 7.723 5.739 6.032 1.00 0.00 H new ATOM 0 HA VAL A 112 8.067 3.062 5.270 1.00 0.00 H new ATOM 0 HB VAL A 112 9.999 4.911 6.722 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.740 3.503 5.696 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.694 2.566 6.790 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.481 2.438 5.028 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.834 5.462 4.477 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.541 4.475 3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 112 9.131 5.937 4.684 1.00 0.00 H new ATOM 1721 N ALA A 113 7.920 3.679 8.468 1.00 0.00 N ATOM 1722 CA ALA A 113 7.809 3.092 9.791 1.00 0.00 C ATOM 1723 C ALA A 113 6.717 2.038 9.809 1.00 0.00 C ATOM 1724 O ALA A 113 6.881 0.948 10.356 1.00 0.00 O ATOM 1725 CB ALA A 113 7.481 4.176 10.798 1.00 0.00 C ATOM 0 H ALA A 113 7.714 4.677 8.434 1.00 0.00 H new ATOM 0 HA ALA A 113 8.758 2.623 10.051 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.397 3.736 11.792 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.273 4.925 10.798 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.536 4.648 10.530 1.00 0.00 H new ATOM 1731 N LEU A 114 5.589 2.399 9.217 1.00 0.00 N ATOM 1732 CA LEU A 114 4.427 1.535 9.158 1.00 0.00 C ATOM 1733 C LEU A 114 4.570 0.457 8.087 1.00 0.00 C ATOM 1734 O LEU A 114 3.913 -0.583 8.159 1.00 0.00 O ATOM 1735 CB LEU A 114 3.188 2.391 8.900 1.00 0.00 C ATOM 1736 CG LEU A 114 1.870 1.642 8.710 1.00 0.00 C ATOM 1737 CD1 LEU A 114 1.271 1.239 10.049 1.00 0.00 C ATOM 1738 CD2 LEU A 114 0.907 2.526 7.946 1.00 0.00 C ATOM 0 H LEU A 114 5.456 3.303 8.763 1.00 0.00 H new ATOM 0 HA LEU A 114 4.330 1.017 10.112 1.00 0.00 H new ATOM 0 HB2 LEU A 114 3.071 3.082 9.735 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.369 2.994 8.010 1.00 0.00 H new ATOM 0 HG LEU A 114 2.059 0.729 8.146 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.334 0.708 9.883 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.968 0.589 10.578 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.082 2.131 10.646 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.037 1.999 7.806 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.731 3.443 8.508 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.333 2.773 6.973 1.00 0.00 H new ATOM 1750 N VAL A 115 5.425 0.695 7.095 1.00 0.00 N ATOM 1751 CA VAL A 115 5.617 -0.290 6.034 1.00 0.00 C ATOM 1752 C VAL A 115 6.544 -1.417 6.483 1.00 0.00 C ATOM 1753 O VAL A 115 6.238 -2.595 6.293 1.00 0.00 O ATOM 1754 CB VAL A 115 6.139 0.330 4.714 1.00 0.00 C ATOM 1755 CG1 VAL A 115 7.613 0.697 4.806 1.00 0.00 C ATOM 1756 CG2 VAL A 115 5.893 -0.628 3.555 1.00 0.00 C ATOM 0 H VAL A 115 5.985 1.543 7.004 1.00 0.00 H new ATOM 0 HA VAL A 115 4.628 -0.700 5.829 1.00 0.00 H new ATOM 0 HB VAL A 115 5.588 1.253 4.536 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.940 1.129 3.860 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.758 1.423 5.606 1.00 0.00 H new ATOM 0 HG13 VAL A 115 8.198 -0.198 5.018 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.263 -0.184 2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 115 6.415 -1.566 3.741 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.824 -0.820 3.462 1.00 0.00 H new ATOM 1766 N GLU A 116 7.671 -1.055 7.085 1.00 0.00 N ATOM 1767 CA GLU A 116 8.628 -2.044 7.564 1.00 0.00 C ATOM 1768 C GLU A 116 8.010 -2.910 8.655 1.00 0.00 C ATOM 1769 O GLU A 116 8.174 -4.129 8.659 1.00 0.00 O ATOM 1770 CB GLU A 116 9.889 -1.357 8.087 1.00 0.00 C ATOM 1771 CG GLU A 116 10.785 -0.817 6.986 1.00 0.00 C ATOM 1772 CD GLU A 116 12.078 -0.235 7.522 1.00 0.00 C ATOM 1773 OE1 GLU A 116 12.018 0.801 8.218 1.00 0.00 O ATOM 1774 OE2 GLU A 116 13.149 -0.814 7.247 1.00 0.00 O ATOM 0 H GLU A 116 7.944 -0.086 7.252 1.00 0.00 H new ATOM 0 HA GLU A 116 8.900 -2.687 6.727 1.00 0.00 H new ATOM 0 HB2 GLU A 116 9.600 -0.537 8.745 1.00 0.00 H new ATOM 0 HB3 GLU A 116 10.456 -2.066 8.691 1.00 0.00 H new ATOM 0 HG2 GLU A 116 11.015 -1.618 6.284 1.00 0.00 H new ATOM 0 HG3 GLU A 116 10.248 -0.049 6.429 1.00 0.00 H new ATOM 1781 N ARG A 117 7.292 -2.275 9.576 1.00 0.00 N ATOM 1782 CA ARG A 117 6.643 -3.000 10.660 1.00 0.00 C ATOM 1783 C ARG A 117 5.644 -4.008 10.105 1.00 0.00 C ATOM 1784 O ARG A 117 5.332 -5.011 10.747 1.00 0.00 O ATOM 1785 CB ARG A 117 5.944 -2.028 11.608 1.00 0.00 C ATOM 1786 CG ARG A 117 6.901 -1.227 12.474 1.00 0.00 C ATOM 1787 CD ARG A 117 6.153 -0.355 13.468 1.00 0.00 C ATOM 1788 NE ARG A 117 6.981 0.741 13.965 1.00 0.00 N ATOM 1789 CZ ARG A 117 6.499 1.910 14.379 1.00 0.00 C ATOM 1790 NH1 ARG A 117 5.191 2.146 14.363 1.00 0.00 N ATOM 1791 NH2 ARG A 117 7.328 2.848 14.814 1.00 0.00 N ATOM 0 H ARG A 117 7.146 -1.266 9.593 1.00 0.00 H new ATOM 0 HA ARG A 117 7.407 -3.541 11.218 1.00 0.00 H new ATOM 0 HB2 ARG A 117 5.334 -1.340 11.024 1.00 0.00 H new ATOM 0 HB3 ARG A 117 5.266 -2.587 12.252 1.00 0.00 H new ATOM 0 HG2 ARG A 117 7.564 -1.906 13.010 1.00 0.00 H new ATOM 0 HG3 ARG A 117 7.530 -0.602 11.841 1.00 0.00 H new ATOM 0 HD2 ARG A 117 5.260 0.052 12.994 1.00 0.00 H new ATOM 0 HD3 ARG A 117 5.818 -0.966 14.306 1.00 0.00 H new ATOM 0 HE ARG A 117 7.991 0.602 13.997 1.00 0.00 H new ATOM 0 HH11 ARG A 117 4.547 1.428 14.031 1.00 0.00 H new ATOM 0 HH12 ARG A 117 4.831 3.045 14.682 1.00 0.00 H new ATOM 0 HH21 ARG A 117 8.333 2.673 14.831 1.00 0.00 H new ATOM 0 HH22 ARG A 117 6.961 3.745 15.132 1.00 0.00 H new ATOM 1805 N ALA A 118 5.151 -3.732 8.902 1.00 0.00 N ATOM 1806 CA ALA A 118 4.194 -4.609 8.245 1.00 0.00 C ATOM 1807 C ALA A 118 4.853 -5.919 7.841 1.00 0.00 C ATOM 1808 O ALA A 118 4.302 -6.998 8.066 1.00 0.00 O ATOM 1809 CB ALA A 118 3.591 -3.917 7.030 1.00 0.00 C ATOM 0 H ALA A 118 5.401 -2.904 8.362 1.00 0.00 H new ATOM 0 HA ALA A 118 3.394 -4.835 8.950 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.877 -4.585 6.548 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.081 -3.007 7.346 1.00 0.00 H new ATOM 0 HB3 ALA A 118 4.383 -3.663 6.325 1.00 0.00 H new ATOM 1815 N ILE A 119 6.041 -5.821 7.254 1.00 0.00 N ATOM 1816 CA ILE A 119 6.782 -6.994 6.830 1.00 0.00 C ATOM 1817 C ILE A 119 7.376 -7.720 8.032 1.00 0.00 C ATOM 1818 O ILE A 119 7.521 -8.943 8.030 1.00 0.00 O ATOM 1819 CB ILE A 119 7.919 -6.616 5.864 1.00 0.00 C ATOM 1820 CG1 ILE A 119 7.403 -5.702 4.754 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.559 -7.860 5.273 1.00 0.00 C ATOM 1822 CD1 ILE A 119 8.395 -4.634 4.360 1.00 0.00 C ATOM 0 H ILE A 119 6.509 -4.935 7.062 1.00 0.00 H new ATOM 0 HA ILE A 119 6.080 -7.651 6.315 1.00 0.00 H new ATOM 0 HB ILE A 119 8.678 -6.076 6.430 1.00 0.00 H new ATOM 0 HG12 ILE A 119 7.159 -6.304 3.879 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.478 -5.228 5.082 1.00 0.00 H new ATOM 0 HG21 ILE A 119 9.360 -7.569 4.593 1.00 0.00 H new ATOM 0 HG22 ILE A 119 8.969 -8.474 6.075 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.808 -8.431 4.726 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.970 -4.017 3.568 1.00 0.00 H new ATOM 0 HD12 ILE A 119 8.620 -4.010 5.225 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.312 -5.103 4.003 1.00 0.00 H new ATOM 1834 N SER A 120 7.721 -6.949 9.053 1.00 0.00 N ATOM 1835 CA SER A 120 8.308 -7.493 10.267 1.00 0.00 C ATOM 1836 C SER A 120 7.254 -8.181 11.131 1.00 0.00 C ATOM 1837 O SER A 120 7.450 -9.308 11.585 1.00 0.00 O ATOM 1838 CB SER A 120 8.992 -6.382 11.066 1.00 0.00 C ATOM 1839 OG SER A 120 9.455 -6.863 12.316 1.00 0.00 O ATOM 0 H SER A 120 7.603 -5.936 9.063 1.00 0.00 H new ATOM 0 HA SER A 120 9.049 -8.237 9.977 1.00 0.00 H new ATOM 0 HB2 SER A 120 9.829 -5.981 10.494 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.293 -5.561 11.225 1.00 0.00 H new ATOM 0 HG SER A 120 9.889 -6.134 12.806 1.00 0.00 H new ATOM 1845 N HIS A 121 6.135 -7.497 11.353 1.00 0.00 N ATOM 1846 CA HIS A 121 5.055 -8.047 12.162 1.00 0.00 C ATOM 1847 C HIS A 121 4.547 -9.361 11.580 1.00 0.00 C ATOM 1848 O HIS A 121 4.058 -10.229 12.304 1.00 0.00 O ATOM 1849 CB HIS A 121 3.908 -7.042 12.268 1.00 0.00 C ATOM 1850 CG HIS A 121 4.112 -6.018 13.341 1.00 0.00 C ATOM 1851 ND1 HIS A 121 5.330 -5.800 13.950 1.00 0.00 N ATOM 1852 CD2 HIS A 121 3.246 -5.148 13.913 1.00 0.00 C ATOM 1853 CE1 HIS A 121 5.204 -4.844 14.852 1.00 0.00 C ATOM 1854 NE2 HIS A 121 3.951 -4.432 14.849 1.00 0.00 N ATOM 0 H HIS A 121 5.954 -6.563 10.984 1.00 0.00 H new ATOM 0 HA HIS A 121 5.448 -8.246 13.159 1.00 0.00 H new ATOM 0 HB2 HIS A 121 3.789 -6.535 11.310 1.00 0.00 H new ATOM 0 HB3 HIS A 121 2.980 -7.580 12.461 1.00 0.00 H new ATOM 0 HD2 HIS A 121 2.198 -5.038 13.677 1.00 0.00 H new ATOM 0 HE1 HIS A 121 5.993 -4.464 15.485 1.00 0.00 H new ATOM 0 HE2 HIS A 121 3.567 -3.699 15.446 1.00 0.00 H new