USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 455 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 60 THR OG1 : rot -87:sc= 0.109 USER MOD Set 1.2: A 74 GLN : amide:sc= -0.586 K(o=-0.48,f=-2.6) USER MOD Set 2.1: A 45 HIS : no HD1:sc= -0.2 X(o=-4.1,f=-4.3) USER MOD Set 2.2: A 47 SER OG : rot 180:sc= -0.121 USER MOD Set 2.3: A 48 HIS : no HE2:sc= -3.75! C(o=-4.1!,f=-9.4!) USER MOD Single : A 6 ASN : amide:sc= -4.55 K(o=-4.6,f=-5.8!) USER MOD Single : A 16 GLN : amide:sc=-0.00435 X(o=-0.0044,f=-0.47) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= -3.11! USER MOD Single : A 33 GLN : amide:sc= -0.296 X(o=-0.3,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0347 USER MOD Single : A 39 ASN : amide:sc= -6.25! C(o=-6.3!,f=-1.8!) USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 41 TYR OH : rot -30:sc= -1.41 USER MOD Single : A 44 LYS NZ :NH3+ -175:sc= -1.6 (180deg=-1.72) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -4.78! C(o=-4.8!,f=-6.6!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc=-0.00394 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 174:sc= -2.44! USER MOD ----------------------------------------------------------------- ATOM 21 N VAL A 5 -0.055 8.114 -9.945 1.00 0.00 N ATOM 22 CA VAL A 5 0.344 8.296 -8.555 1.00 0.00 C ATOM 23 C VAL A 5 0.235 6.973 -7.802 1.00 0.00 C ATOM 24 O VAL A 5 -0.743 6.242 -7.955 1.00 0.00 O ATOM 25 CB VAL A 5 -0.490 9.391 -7.852 1.00 0.00 C ATOM 26 CG1 VAL A 5 -0.700 10.575 -8.783 1.00 0.00 C ATOM 27 CG2 VAL A 5 -1.824 8.851 -7.366 1.00 0.00 C ATOM 0 HA VAL A 5 1.382 8.628 -8.549 1.00 0.00 H new ATOM 0 HB VAL A 5 0.068 9.725 -6.977 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.289 11.338 -8.274 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.267 10.991 -9.066 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.229 10.245 -9.677 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.383 9.649 -6.877 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.395 8.475 -8.215 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.652 8.041 -6.657 1.00 0.00 H new ATOM 31 N ASN A 6 1.260 6.648 -7.022 1.00 0.00 N ATOM 32 CA ASN A 6 1.292 5.387 -6.290 1.00 0.00 C ATOM 33 C ASN A 6 0.047 5.140 -5.443 1.00 0.00 C ATOM 34 O ASN A 6 -0.336 5.950 -4.599 1.00 0.00 O ATOM 35 CB ASN A 6 2.536 5.294 -5.408 1.00 0.00 C ATOM 36 CG ASN A 6 2.499 6.252 -4.234 1.00 0.00 C ATOM 37 OD1 ASN A 6 2.940 7.396 -4.337 1.00 0.00 O ATOM 38 ND2 ASN A 6 1.970 5.787 -3.109 1.00 0.00 N ATOM 0 H ASN A 6 2.079 7.239 -6.880 1.00 0.00 H new ATOM 0 HA ASN A 6 1.321 4.610 -7.054 1.00 0.00 H new ATOM 0 HB2 ASN A 6 2.636 4.274 -5.036 1.00 0.00 H new ATOM 0 HB3 ASN A 6 3.420 5.501 -6.012 1.00 0.00 H new ATOM 0 HD21 ASN A 6 1.917 6.386 -2.285 1.00 0.00 H new ATOM 0 HD22 ASN A 6 1.616 4.831 -3.069 1.00 0.00 H new ATOM 43 N GLU A 7 -0.535 3.972 -5.669 1.00 0.00 N ATOM 44 CA GLU A 7 -1.699 3.493 -4.950 1.00 0.00 C ATOM 45 C GLU A 7 -1.618 1.974 -4.929 1.00 0.00 C ATOM 46 O GLU A 7 -2.005 1.307 -5.889 1.00 0.00 O ATOM 47 CB GLU A 7 -2.997 3.954 -5.615 1.00 0.00 C ATOM 48 CG GLU A 7 -2.977 3.851 -7.130 1.00 0.00 C ATOM 49 CD GLU A 7 -4.367 3.732 -7.725 1.00 0.00 C ATOM 50 OE1 GLU A 7 -5.097 2.793 -7.344 1.00 0.00 O ATOM 51 OE2 GLU A 7 -4.724 4.578 -8.571 1.00 0.00 O ATOM 0 H GLU A 7 -0.200 3.317 -6.376 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.707 3.898 -3.938 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.824 3.357 -5.230 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.192 4.989 -5.333 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -2.483 4.730 -7.544 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.385 2.984 -7.424 1.00 0.00 H new ATOM 58 N TRP A 8 -1.062 1.433 -3.856 1.00 0.00 N ATOM 59 CA TRP A 8 -0.875 -0.006 -3.741 1.00 0.00 C ATOM 60 C TRP A 8 -2.108 -0.680 -3.159 1.00 0.00 C ATOM 61 O TRP A 8 -2.604 -0.282 -2.114 1.00 0.00 O ATOM 62 CB TRP A 8 0.356 -0.298 -2.873 1.00 0.00 C ATOM 63 CG TRP A 8 0.445 -1.721 -2.424 1.00 0.00 C ATOM 64 CD1 TRP A 8 1.147 -2.724 -3.019 1.00 0.00 C ATOM 65 CD2 TRP A 8 -0.197 -2.299 -1.286 1.00 0.00 C ATOM 66 NE1 TRP A 8 0.967 -3.898 -2.330 1.00 0.00 N ATOM 67 CE2 TRP A 8 0.147 -3.661 -1.258 1.00 0.00 C ATOM 68 CE3 TRP A 8 -1.032 -1.794 -0.289 1.00 0.00 C ATOM 69 CZ2 TRP A 8 -0.321 -4.524 -0.270 1.00 0.00 C ATOM 70 CZ3 TRP A 8 -1.491 -2.648 0.692 1.00 0.00 C ATOM 71 CH2 TRP A 8 -1.135 -4.001 0.696 1.00 0.00 C ATOM 0 H TRP A 8 -0.732 1.968 -3.052 1.00 0.00 H new ATOM 0 HA TRP A 8 -0.718 -0.414 -4.740 1.00 0.00 H new ATOM 0 HB2 TRP A 8 1.255 -0.046 -3.435 1.00 0.00 H new ATOM 0 HB3 TRP A 8 0.335 0.350 -1.997 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.756 -2.613 -3.904 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.377 -4.799 -2.576 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -1.314 -0.752 -0.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.050 -5.570 -0.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.136 -2.266 1.470 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.511 -4.645 1.477 1.00 0.00 H new ATOM 82 N ALA A 9 -2.595 -1.706 -3.849 1.00 0.00 N ATOM 83 CA ALA A 9 -3.773 -2.440 -3.398 1.00 0.00 C ATOM 84 C ALA A 9 -3.471 -3.924 -3.244 1.00 0.00 C ATOM 85 O ALA A 9 -2.683 -4.491 -4.000 1.00 0.00 O ATOM 86 CB ALA A 9 -4.929 -2.234 -4.360 1.00 0.00 C ATOM 0 H ALA A 9 -2.193 -2.048 -4.722 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.056 -2.050 -2.421 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.799 -2.789 -4.008 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.173 -1.173 -4.414 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.647 -2.592 -5.350 1.00 0.00 H new ATOM 92 N ALA A 10 -4.099 -4.544 -2.252 1.00 0.00 N ATOM 93 CA ALA A 10 -3.892 -5.960 -1.987 1.00 0.00 C ATOM 94 C ALA A 10 -5.122 -6.604 -1.359 1.00 0.00 C ATOM 95 O ALA A 10 -6.163 -5.968 -1.202 1.00 0.00 O ATOM 96 CB ALA A 10 -2.693 -6.139 -1.075 1.00 0.00 C ATOM 0 H ALA A 10 -4.755 -4.087 -1.619 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.710 -6.456 -2.940 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.541 -7.200 -0.878 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.805 -5.728 -1.556 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.870 -5.618 -0.134 1.00 0.00 H new ATOM 102 N GLU A 11 -4.974 -7.869 -0.989 1.00 0.00 N ATOM 103 CA GLU A 11 -6.044 -8.626 -0.355 1.00 0.00 C ATOM 104 C GLU A 11 -5.451 -9.604 0.645 1.00 0.00 C ATOM 105 O GLU A 11 -4.665 -10.481 0.275 1.00 0.00 O ATOM 106 CB GLU A 11 -6.856 -9.393 -1.396 1.00 0.00 C ATOM 107 CG GLU A 11 -7.460 -8.504 -2.472 1.00 0.00 C ATOM 108 CD GLU A 11 -8.509 -9.220 -3.299 1.00 0.00 C ATOM 109 OE1 GLU A 11 -9.531 -9.647 -2.721 1.00 0.00 O ATOM 110 OE2 GLU A 11 -8.307 -9.357 -4.524 1.00 0.00 O ATOM 0 H GLU A 11 -4.111 -8.398 -1.120 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.706 -7.928 0.157 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.215 -10.137 -1.869 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.656 -9.935 -0.893 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.908 -7.627 -2.004 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.667 -8.145 -3.129 1.00 0.00 H new ATOM 117 N ILE A 12 -5.812 -9.443 1.912 1.00 0.00 N ATOM 118 CA ILE A 12 -5.293 -10.317 2.951 1.00 0.00 C ATOM 119 C ILE A 12 -6.287 -10.460 4.113 1.00 0.00 C ATOM 120 O ILE A 12 -6.607 -9.490 4.797 1.00 0.00 O ATOM 121 CB ILE A 12 -3.894 -9.837 3.448 1.00 0.00 C ATOM 122 CG1 ILE A 12 -3.930 -9.263 4.871 1.00 0.00 C ATOM 123 CG2 ILE A 12 -3.300 -8.811 2.492 1.00 0.00 C ATOM 124 CD1 ILE A 12 -4.639 -7.930 4.971 1.00 0.00 C ATOM 0 H ILE A 12 -6.455 -8.723 2.240 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.162 -11.307 2.514 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.259 -10.723 3.471 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.424 -9.978 5.529 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.908 -9.149 5.233 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.325 -8.492 2.860 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.186 -9.257 1.504 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.963 -7.948 2.426 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.625 -7.587 6.006 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.132 -7.200 4.340 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.672 -8.041 4.640 1.00 0.00 H new ATOM 128 N PRO A 13 -6.807 -11.680 4.341 1.00 0.00 N ATOM 129 CA PRO A 13 -7.768 -11.943 5.415 1.00 0.00 C ATOM 130 C PRO A 13 -7.400 -11.256 6.731 1.00 0.00 C ATOM 131 O PRO A 13 -8.273 -10.931 7.535 1.00 0.00 O ATOM 132 CB PRO A 13 -7.691 -13.458 5.573 1.00 0.00 C ATOM 133 CG PRO A 13 -7.363 -13.961 4.210 1.00 0.00 C ATOM 134 CD PRO A 13 -6.511 -12.898 3.560 1.00 0.00 C ATOM 0 HA PRO A 13 -8.760 -11.561 5.173 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.926 -13.743 6.296 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.636 -13.868 5.930 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.828 -14.909 4.264 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.270 -14.139 3.633 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -5.452 -13.153 3.603 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.765 -12.770 2.508 1.00 0.00 H new ATOM 142 N GLY A 14 -6.103 -11.044 6.949 1.00 0.00 N ATOM 143 CA GLY A 14 -5.653 -10.409 8.167 1.00 0.00 C ATOM 144 C GLY A 14 -4.974 -9.081 7.922 1.00 0.00 C ATOM 145 O GLY A 14 -5.649 -8.057 7.822 1.00 0.00 O ATOM 0 H GLY A 14 -5.359 -11.303 6.300 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.506 -10.259 8.829 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.962 -11.075 8.684 1.00 0.00 H new ATOM 149 N GLY A 15 -3.637 -9.091 7.842 1.00 0.00 N ATOM 150 CA GLY A 15 -2.884 -7.861 7.627 1.00 0.00 C ATOM 151 C GLY A 15 -3.542 -6.673 8.295 1.00 0.00 C ATOM 152 O GLY A 15 -3.549 -5.569 7.763 1.00 0.00 O ATOM 0 H GLY A 15 -3.064 -9.931 7.923 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.873 -7.982 8.015 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.794 -7.672 6.557 1.00 0.00 H new ATOM 156 N GLN A 16 -4.116 -6.919 9.460 1.00 0.00 N ATOM 157 CA GLN A 16 -4.805 -5.887 10.209 1.00 0.00 C ATOM 158 C GLN A 16 -3.813 -5.021 10.973 1.00 0.00 C ATOM 159 O GLN A 16 -3.758 -3.806 10.783 1.00 0.00 O ATOM 160 CB GLN A 16 -5.807 -6.541 11.158 1.00 0.00 C ATOM 161 CG GLN A 16 -7.139 -6.866 10.501 1.00 0.00 C ATOM 162 CD GLN A 16 -8.200 -7.271 11.505 1.00 0.00 C ATOM 163 OE1 GLN A 16 -8.337 -6.659 12.564 1.00 0.00 O ATOM 164 NE2 GLN A 16 -8.959 -8.311 11.176 1.00 0.00 N ATOM 0 H GLN A 16 -4.117 -7.835 9.910 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.341 -5.236 9.518 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.373 -7.458 11.556 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.981 -5.877 12.005 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.486 -5.997 9.942 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.998 -7.673 9.781 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.811 -8.790 10.287 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.690 -8.631 11.812 1.00 0.00 H new ATOM 171 N GLU A 17 -3.017 -5.656 11.824 1.00 0.00 N ATOM 172 CA GLU A 17 -2.012 -4.944 12.602 1.00 0.00 C ATOM 173 C GLU A 17 -0.774 -4.671 11.752 1.00 0.00 C ATOM 174 O GLU A 17 -0.007 -3.750 12.033 1.00 0.00 O ATOM 175 CB GLU A 17 -1.627 -5.752 13.842 1.00 0.00 C ATOM 176 CG GLU A 17 -2.820 -6.329 14.590 1.00 0.00 C ATOM 177 CD GLU A 17 -2.449 -7.527 15.442 1.00 0.00 C ATOM 178 OE1 GLU A 17 -1.291 -7.589 15.908 1.00 0.00 O ATOM 179 OE2 GLU A 17 -3.316 -8.402 15.645 1.00 0.00 O ATOM 0 H GLU A 17 -3.048 -6.661 11.993 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.436 -3.992 12.920 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.968 -6.567 13.544 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.059 -5.114 14.519 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.254 -5.557 15.225 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.587 -6.621 13.873 1.00 0.00 H new ATOM 186 N ALA A 18 -0.586 -5.482 10.712 1.00 0.00 N ATOM 187 CA ALA A 18 0.558 -5.335 9.820 1.00 0.00 C ATOM 188 C ALA A 18 0.330 -4.231 8.792 1.00 0.00 C ATOM 189 O ALA A 18 1.115 -3.290 8.701 1.00 0.00 O ATOM 190 CB ALA A 18 0.851 -6.654 9.121 1.00 0.00 C ATOM 0 H ALA A 18 -1.214 -6.248 10.468 1.00 0.00 H new ATOM 0 HA ALA A 18 1.419 -5.051 10.426 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.707 -6.532 8.458 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.075 -7.418 9.865 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.019 -6.958 8.539 1.00 0.00 H new ATOM 196 N ALA A 19 -0.751 -4.352 8.019 1.00 0.00 N ATOM 197 CA ALA A 19 -1.080 -3.365 6.992 1.00 0.00 C ATOM 198 C ALA A 19 -1.076 -1.958 7.568 1.00 0.00 C ATOM 199 O ALA A 19 -0.511 -1.034 6.981 1.00 0.00 O ATOM 200 CB ALA A 19 -2.428 -3.686 6.369 1.00 0.00 C ATOM 0 H ALA A 19 -1.413 -5.125 8.086 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.317 -3.410 6.215 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.662 -2.944 5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.392 -4.676 5.914 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.198 -3.669 7.140 1.00 0.00 H new ATOM 206 N SER A 20 -1.696 -1.809 8.727 1.00 0.00 N ATOM 207 CA SER A 20 -1.755 -0.521 9.396 1.00 0.00 C ATOM 208 C SER A 20 -0.389 -0.160 9.968 1.00 0.00 C ATOM 209 O SER A 20 -0.064 1.016 10.139 1.00 0.00 O ATOM 210 CB SER A 20 -2.802 -0.545 10.510 1.00 0.00 C ATOM 211 OG SER A 20 -3.487 0.693 10.595 1.00 0.00 O ATOM 0 H SER A 20 -2.166 -2.565 9.224 1.00 0.00 H new ATOM 0 HA SER A 20 -2.041 0.235 8.665 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.516 -1.347 10.324 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.319 -0.763 11.462 1.00 0.00 H new ATOM 0 HG SER A 20 -4.152 0.650 11.314 1.00 0.00 H new ATOM 217 N ALA A 21 0.406 -1.185 10.265 1.00 0.00 N ATOM 218 CA ALA A 21 1.733 -0.987 10.821 1.00 0.00 C ATOM 219 C ALA A 21 2.727 -0.536 9.757 1.00 0.00 C ATOM 220 O ALA A 21 3.691 0.169 10.059 1.00 0.00 O ATOM 221 CB ALA A 21 2.222 -2.263 11.488 1.00 0.00 C ATOM 0 H ALA A 21 0.149 -2.162 10.128 1.00 0.00 H new ATOM 0 HA ALA A 21 1.663 -0.196 11.568 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.218 -2.100 11.900 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.538 -2.539 12.290 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.261 -3.066 10.752 1.00 0.00 H new ATOM 227 N ILE A 22 2.495 -0.942 8.512 1.00 0.00 N ATOM 228 CA ILE A 22 3.384 -0.566 7.420 1.00 0.00 C ATOM 229 C ILE A 22 3.273 0.925 7.130 1.00 0.00 C ATOM 230 O ILE A 22 4.262 1.651 7.179 1.00 0.00 O ATOM 231 CB ILE A 22 3.105 -1.352 6.112 1.00 0.00 C ATOM 232 CG1 ILE A 22 2.321 -2.643 6.383 1.00 0.00 C ATOM 233 CG2 ILE A 22 4.418 -1.658 5.409 1.00 0.00 C ATOM 234 CD1 ILE A 22 2.149 -3.523 5.160 1.00 0.00 C ATOM 0 H ILE A 22 1.706 -1.526 8.237 1.00 0.00 H new ATOM 0 HA ILE A 22 4.392 -0.816 7.752 1.00 0.00 H new ATOM 0 HB ILE A 22 2.487 -0.730 5.465 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.833 -3.212 7.159 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.337 -2.384 6.774 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.219 -2.210 4.491 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.928 -0.725 5.168 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.050 -2.258 6.064 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.585 -4.416 5.431 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.609 -2.973 4.389 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.128 -3.814 4.780 1.00 0.00 H new ATOM 238 N ALA A 23 2.057 1.376 6.840 1.00 0.00 N ATOM 239 CA ALA A 23 1.813 2.785 6.551 1.00 0.00 C ATOM 240 C ALA A 23 2.458 3.669 7.612 1.00 0.00 C ATOM 241 O ALA A 23 2.991 4.737 7.312 1.00 0.00 O ATOM 242 CB ALA A 23 0.319 3.057 6.471 1.00 0.00 C ATOM 0 H ALA A 23 1.225 0.787 6.799 1.00 0.00 H new ATOM 0 HA ALA A 23 2.262 3.022 5.587 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.152 4.112 6.255 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.119 2.451 5.678 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.148 2.803 7.422 1.00 0.00 H new ATOM 248 N GLU A 24 2.405 3.205 8.853 1.00 0.00 N ATOM 249 CA GLU A 24 2.982 3.934 9.972 1.00 0.00 C ATOM 250 C GLU A 24 4.490 3.716 10.048 1.00 0.00 C ATOM 251 O GLU A 24 5.233 4.587 10.501 1.00 0.00 O ATOM 252 CB GLU A 24 2.333 3.489 11.282 1.00 0.00 C ATOM 253 CG GLU A 24 0.869 3.881 11.401 1.00 0.00 C ATOM 254 CD GLU A 24 0.301 3.597 12.778 1.00 0.00 C ATOM 255 OE1 GLU A 24 0.497 4.434 13.685 1.00 0.00 O ATOM 256 OE2 GLU A 24 -0.339 2.538 12.949 1.00 0.00 O ATOM 0 H GLU A 24 1.965 2.321 9.110 1.00 0.00 H new ATOM 0 HA GLU A 24 2.792 4.996 9.815 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.419 2.406 11.370 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.885 3.922 12.116 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.762 4.943 11.179 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.289 3.339 10.654 1.00 0.00 H new ATOM 263 N GLU A 25 4.931 2.541 9.613 1.00 0.00 N ATOM 264 CA GLU A 25 6.348 2.190 9.641 1.00 0.00 C ATOM 265 C GLU A 25 7.148 3.015 8.637 1.00 0.00 C ATOM 266 O GLU A 25 8.066 3.745 9.012 1.00 0.00 O ATOM 267 CB GLU A 25 6.530 0.699 9.351 1.00 0.00 C ATOM 268 CG GLU A 25 6.644 -0.154 10.604 1.00 0.00 C ATOM 269 CD GLU A 25 6.193 -1.584 10.381 1.00 0.00 C ATOM 270 OE1 GLU A 25 5.322 -1.803 9.512 1.00 0.00 O ATOM 271 OE2 GLU A 25 6.710 -2.485 11.074 1.00 0.00 O ATOM 0 H GLU A 25 4.326 1.812 9.235 1.00 0.00 H new ATOM 0 HA GLU A 25 6.725 2.413 10.639 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.686 0.347 8.757 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.426 0.562 8.745 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.679 -0.153 10.946 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.045 0.292 11.398 1.00 0.00 H new ATOM 278 N LEU A 26 6.801 2.890 7.361 1.00 0.00 N ATOM 279 CA LEU A 26 7.492 3.620 6.306 1.00 0.00 C ATOM 280 C LEU A 26 6.967 5.045 6.202 1.00 0.00 C ATOM 281 O LEU A 26 7.718 6.011 6.331 1.00 0.00 O ATOM 282 CB LEU A 26 7.321 2.905 4.963 1.00 0.00 C ATOM 283 CG LEU A 26 6.079 2.018 4.846 1.00 0.00 C ATOM 284 CD1 LEU A 26 5.581 1.971 3.416 1.00 0.00 C ATOM 285 CD2 LEU A 26 6.377 0.618 5.361 1.00 0.00 C ATOM 0 H LEU A 26 6.045 2.290 7.032 1.00 0.00 H new ATOM 0 HA LEU A 26 8.552 3.656 6.558 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.287 3.655 4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.204 2.291 4.782 1.00 0.00 H new ATOM 0 HG LEU A 26 5.290 2.450 5.461 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.698 1.335 3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.324 2.978 3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.362 1.567 2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.484 -0.000 5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.183 0.178 4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.677 0.672 6.407 1.00 0.00 H new ATOM 291 N GLY A 27 5.670 5.157 5.965 1.00 0.00 N ATOM 292 CA GLY A 27 5.044 6.460 5.839 1.00 0.00 C ATOM 293 C GLY A 27 4.066 6.511 4.684 1.00 0.00 C ATOM 294 O GLY A 27 4.355 7.094 3.639 1.00 0.00 O ATOM 0 H GLY A 27 5.035 4.366 5.857 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.524 6.703 6.765 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.813 7.219 5.697 1.00 0.00 H new ATOM 298 N TYR A 28 2.908 5.889 4.870 1.00 0.00 N ATOM 299 CA TYR A 28 1.883 5.852 3.834 1.00 0.00 C ATOM 300 C TYR A 28 0.489 5.846 4.448 1.00 0.00 C ATOM 301 O TYR A 28 0.335 5.890 5.669 1.00 0.00 O ATOM 302 CB TYR A 28 2.059 4.600 2.974 1.00 0.00 C ATOM 303 CG TYR A 28 3.113 4.729 1.900 1.00 0.00 C ATOM 304 CD1 TYR A 28 4.468 4.703 2.216 1.00 0.00 C ATOM 305 CD2 TYR A 28 2.752 4.863 0.568 1.00 0.00 C ATOM 306 CE1 TYR A 28 5.431 4.810 1.229 1.00 0.00 C ATOM 307 CE2 TYR A 28 3.709 4.970 -0.423 1.00 0.00 C ATOM 308 CZ TYR A 28 5.045 4.943 -0.088 1.00 0.00 C ATOM 309 OH TYR A 28 5.999 5.049 -1.074 1.00 0.00 O ATOM 0 H TYR A 28 2.655 5.403 5.730 1.00 0.00 H new ATOM 0 HA TYR A 28 1.991 6.744 3.217 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.317 3.762 3.621 1.00 0.00 H new ATOM 0 HB3 TYR A 28 1.105 4.359 2.504 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.772 4.598 3.247 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.706 4.884 0.301 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.479 4.789 1.488 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.411 5.074 -1.456 1.00 0.00 H new ATOM 0 HH TYR A 28 5.560 5.135 -1.946 1.00 0.00 H new ATOM 319 N ASP A 29 -0.523 5.770 3.592 1.00 0.00 N ATOM 320 CA ASP A 29 -1.907 5.732 4.043 1.00 0.00 C ATOM 321 C ASP A 29 -2.536 4.396 3.677 1.00 0.00 C ATOM 322 O ASP A 29 -3.060 4.225 2.577 1.00 0.00 O ATOM 323 CB ASP A 29 -2.714 6.875 3.427 1.00 0.00 C ATOM 324 CG ASP A 29 -2.123 8.236 3.740 1.00 0.00 C ATOM 325 OD1 ASP A 29 -2.296 8.709 4.883 1.00 0.00 O ATOM 326 OD2 ASP A 29 -1.490 8.829 2.842 1.00 0.00 O ATOM 0 H ASP A 29 -0.410 5.733 2.579 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.917 5.851 5.126 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.760 6.742 2.346 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.738 6.833 3.797 1.00 0.00 H new ATOM 331 N LEU A 30 -2.473 3.448 4.603 1.00 0.00 N ATOM 332 CA LEU A 30 -3.028 2.121 4.378 1.00 0.00 C ATOM 333 C LEU A 30 -4.487 2.073 4.792 1.00 0.00 C ATOM 334 O LEU A 30 -4.831 2.475 5.901 1.00 0.00 O ATOM 335 CB LEU A 30 -2.237 1.082 5.172 1.00 0.00 C ATOM 336 CG LEU A 30 -2.851 -0.323 5.233 1.00 0.00 C ATOM 337 CD1 LEU A 30 -3.787 -0.457 6.423 1.00 0.00 C ATOM 338 CD2 LEU A 30 -3.570 -0.670 3.936 1.00 0.00 C ATOM 0 H LEU A 30 -2.042 3.575 5.519 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.957 1.896 3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.240 1.003 4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.114 1.448 6.191 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.035 -1.034 5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.209 -1.462 6.443 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.232 -0.278 7.344 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.592 0.273 6.337 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.994 -1.671 4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.369 0.050 3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.862 -0.637 3.108 1.00 0.00 H new ATOM 344 N LEU A 31 -5.347 1.569 3.907 1.00 0.00 N ATOM 345 CA LEU A 31 -6.758 1.479 4.222 1.00 0.00 C ATOM 346 C LEU A 31 -7.401 0.238 3.636 1.00 0.00 C ATOM 347 O LEU A 31 -7.842 0.227 2.491 1.00 0.00 O ATOM 348 CB LEU A 31 -7.528 2.716 3.743 1.00 0.00 C ATOM 349 CG LEU A 31 -7.009 4.076 4.223 1.00 0.00 C ATOM 350 CD1 LEU A 31 -6.857 4.100 5.736 1.00 0.00 C ATOM 351 CD2 LEU A 31 -5.693 4.424 3.538 1.00 0.00 C ATOM 0 H LEU A 31 -5.090 1.224 2.982 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.815 1.420 5.309 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.528 2.717 2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.566 2.616 4.061 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.744 4.833 3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.487 5.076 6.049 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.824 3.912 6.202 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.150 3.329 6.043 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.343 5.393 3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.949 3.662 3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.844 4.466 2.459 1.00 0.00 H new ATOM 357 N GLY A 32 -7.472 -0.792 4.453 1.00 0.00 N ATOM 358 CA GLY A 32 -8.087 -2.036 4.034 1.00 0.00 C ATOM 359 C GLY A 32 -9.114 -2.545 5.026 1.00 0.00 C ATOM 360 O GLY A 32 -8.823 -3.430 5.830 1.00 0.00 O ATOM 0 H GLY A 32 -7.113 -0.794 5.408 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.565 -1.892 3.065 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.313 -2.792 3.899 1.00 0.00 H new ATOM 364 N GLN A 33 -10.319 -1.990 4.967 1.00 0.00 N ATOM 365 CA GLN A 33 -11.388 -2.400 5.869 1.00 0.00 C ATOM 366 C GLN A 33 -12.755 -2.219 5.217 1.00 0.00 C ATOM 367 O GLN A 33 -13.458 -1.247 5.492 1.00 0.00 O ATOM 368 CB GLN A 33 -11.321 -1.597 7.168 1.00 0.00 C ATOM 369 CG GLN A 33 -11.120 -0.105 6.953 1.00 0.00 C ATOM 370 CD GLN A 33 -9.867 0.420 7.624 1.00 0.00 C ATOM 371 OE1 GLN A 33 -9.823 0.584 8.844 1.00 0.00 O ATOM 372 NE2 GLN A 33 -8.836 0.687 6.829 1.00 0.00 N ATOM 0 H GLN A 33 -10.579 -1.258 4.307 1.00 0.00 H new ATOM 0 HA GLN A 33 -11.252 -3.458 6.094 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -12.242 -1.754 7.730 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.505 -1.980 7.780 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.067 0.100 5.884 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.986 0.433 7.338 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.915 0.537 5.823 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.966 1.042 7.225 1.00 0.00 H new ATOM 379 N ILE A 34 -13.132 -3.161 4.356 1.00 0.00 N ATOM 380 CA ILE A 34 -14.423 -3.092 3.678 1.00 0.00 C ATOM 381 C ILE A 34 -15.375 -4.157 4.207 1.00 0.00 C ATOM 382 O ILE A 34 -16.594 -4.021 4.115 1.00 0.00 O ATOM 383 CB ILE A 34 -14.292 -3.238 2.143 1.00 0.00 C ATOM 384 CG1 ILE A 34 -12.985 -3.943 1.771 1.00 0.00 C ATOM 385 CG2 ILE A 34 -14.383 -1.875 1.470 1.00 0.00 C ATOM 386 CD1 ILE A 34 -11.760 -3.075 1.935 1.00 0.00 C ATOM 0 H ILE A 34 -12.567 -3.975 4.113 1.00 0.00 H new ATOM 0 HA ILE A 34 -14.828 -2.102 3.890 1.00 0.00 H new ATOM 0 HB ILE A 34 -15.118 -3.854 1.786 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -12.874 -4.834 2.389 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -13.045 -4.279 0.736 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -14.289 -1.995 0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -15.345 -1.418 1.702 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -13.580 -1.235 1.835 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.872 -3.641 1.653 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.848 -2.197 1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -11.674 -2.760 2.975 1.00 0.00 H new ATOM 390 N GLY A 35 -14.803 -5.206 4.773 1.00 0.00 N ATOM 391 CA GLY A 35 -15.600 -6.285 5.331 1.00 0.00 C ATOM 392 C GLY A 35 -16.195 -7.201 4.277 1.00 0.00 C ATOM 393 O GLY A 35 -16.007 -8.417 4.331 1.00 0.00 O ATOM 0 H GLY A 35 -13.795 -5.333 4.858 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -14.979 -6.874 6.006 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -16.406 -5.860 5.929 1.00 0.00 H new ATOM 397 N SER A 36 -16.925 -6.619 3.327 1.00 0.00 N ATOM 398 CA SER A 36 -17.570 -7.382 2.258 1.00 0.00 C ATOM 399 C SER A 36 -16.686 -8.519 1.747 1.00 0.00 C ATOM 400 O SER A 36 -17.186 -9.574 1.359 1.00 0.00 O ATOM 401 CB SER A 36 -17.937 -6.453 1.100 1.00 0.00 C ATOM 402 OG SER A 36 -18.472 -5.231 1.576 1.00 0.00 O ATOM 0 H SER A 36 -17.086 -5.613 3.276 1.00 0.00 H new ATOM 0 HA SER A 36 -18.473 -7.828 2.676 1.00 0.00 H new ATOM 0 HB2 SER A 36 -17.053 -6.255 0.494 1.00 0.00 H new ATOM 0 HB3 SER A 36 -18.663 -6.944 0.452 1.00 0.00 H new ATOM 0 HG SER A 36 -18.697 -4.654 0.816 1.00 0.00 H new ATOM 408 N LEU A 37 -15.375 -8.300 1.737 1.00 0.00 N ATOM 409 CA LEU A 37 -14.440 -9.311 1.262 1.00 0.00 C ATOM 410 C LEU A 37 -13.490 -9.754 2.369 1.00 0.00 C ATOM 411 O LEU A 37 -12.868 -10.814 2.286 1.00 0.00 O ATOM 412 CB LEU A 37 -13.653 -8.771 0.069 1.00 0.00 C ATOM 413 CG LEU A 37 -13.243 -7.299 0.172 1.00 0.00 C ATOM 414 CD1 LEU A 37 -14.444 -6.380 -0.002 1.00 0.00 C ATOM 415 CD2 LEU A 37 -12.546 -7.029 1.493 1.00 0.00 C ATOM 0 H LEU A 37 -14.938 -7.434 2.052 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.013 -10.184 0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.754 -9.374 -0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -14.253 -8.903 -0.831 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.542 -7.088 -0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -14.122 -5.342 0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.892 -6.548 -0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -15.179 -6.591 0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.263 -5.978 1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.221 -7.265 2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.653 -7.650 1.567 1.00 0.00 H new ATOM 421 N GLU A 38 -13.396 -8.936 3.406 1.00 0.00 N ATOM 422 CA GLU A 38 -12.541 -9.221 4.552 1.00 0.00 C ATOM 423 C GLU A 38 -11.163 -9.695 4.118 1.00 0.00 C ATOM 424 O GLU A 38 -10.720 -10.781 4.486 1.00 0.00 O ATOM 425 CB GLU A 38 -13.207 -10.261 5.428 1.00 0.00 C ATOM 426 CG GLU A 38 -13.996 -9.670 6.582 1.00 0.00 C ATOM 427 CD GLU A 38 -13.233 -9.705 7.892 1.00 0.00 C ATOM 428 OE1 GLU A 38 -12.305 -8.887 8.062 1.00 0.00 O ATOM 429 OE2 GLU A 38 -13.565 -10.553 8.749 1.00 0.00 O ATOM 0 H GLU A 38 -13.908 -8.057 3.479 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.403 -8.299 5.118 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.875 -10.866 4.815 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.445 -10.931 5.826 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -14.258 -8.639 6.347 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -14.931 -10.219 6.696 1.00 0.00 H new ATOM 436 N ASN A 39 -10.502 -8.851 3.339 1.00 0.00 N ATOM 437 CA ASN A 39 -9.163 -9.121 2.821 1.00 0.00 C ATOM 438 C ASN A 39 -8.857 -8.215 1.627 1.00 0.00 C ATOM 439 O ASN A 39 -8.635 -8.680 0.514 1.00 0.00 O ATOM 440 CB ASN A 39 -9.005 -10.600 2.432 1.00 0.00 C ATOM 441 CG ASN A 39 -9.703 -10.978 1.135 1.00 0.00 C ATOM 442 OD1 ASN A 39 -9.329 -11.955 0.486 1.00 0.00 O ATOM 443 ND2 ASN A 39 -10.718 -10.214 0.744 1.00 0.00 N ATOM 0 H ASN A 39 -10.881 -7.951 3.045 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.447 -8.905 3.614 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.943 -10.829 2.341 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.397 -11.221 3.238 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.215 -10.430 -0.120 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.000 -9.412 1.308 1.00 0.00 H new ATOM 448 N HIS A 40 -8.852 -6.912 1.879 1.00 0.00 N ATOM 449 CA HIS A 40 -8.573 -5.919 0.848 1.00 0.00 C ATOM 450 C HIS A 40 -7.938 -4.679 1.473 1.00 0.00 C ATOM 451 O HIS A 40 -8.622 -3.868 2.097 1.00 0.00 O ATOM 452 CB HIS A 40 -9.856 -5.535 0.110 1.00 0.00 C ATOM 453 CG HIS A 40 -9.611 -4.877 -1.212 1.00 0.00 C ATOM 454 ND1 HIS A 40 -9.671 -5.552 -2.413 1.00 0.00 N ATOM 455 CD2 HIS A 40 -9.302 -3.595 -1.520 1.00 0.00 C ATOM 456 CE1 HIS A 40 -9.410 -4.715 -3.401 1.00 0.00 C ATOM 457 NE2 HIS A 40 -9.183 -3.521 -2.886 1.00 0.00 N ATOM 0 H HIS A 40 -9.040 -6.515 2.799 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.877 -6.352 0.130 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -10.458 -6.430 -0.045 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -10.440 -4.863 0.739 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.173 -2.782 -0.821 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -9.386 -4.965 -4.451 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -8.956 -2.680 -3.417 1.00 0.00 H new ATOM 466 N TYR A 41 -6.626 -4.547 1.311 1.00 0.00 N ATOM 467 CA TYR A 41 -5.888 -3.417 1.869 1.00 0.00 C ATOM 468 C TYR A 41 -5.147 -2.660 0.777 1.00 0.00 C ATOM 469 O TYR A 41 -4.661 -3.264 -0.177 1.00 0.00 O ATOM 470 CB TYR A 41 -4.887 -3.920 2.914 1.00 0.00 C ATOM 471 CG TYR A 41 -5.498 -4.220 4.264 1.00 0.00 C ATOM 472 CD1 TYR A 41 -6.184 -5.407 4.490 1.00 0.00 C ATOM 473 CD2 TYR A 41 -5.388 -3.315 5.315 1.00 0.00 C ATOM 474 CE1 TYR A 41 -6.742 -5.684 5.724 1.00 0.00 C ATOM 475 CE2 TYR A 41 -5.944 -3.586 6.550 1.00 0.00 C ATOM 476 CZ TYR A 41 -6.619 -4.771 6.749 1.00 0.00 C ATOM 477 OH TYR A 41 -7.174 -5.044 7.979 1.00 0.00 O ATOM 0 H TYR A 41 -6.048 -5.211 0.796 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.601 -2.739 2.338 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.407 -4.823 2.536 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.104 -3.172 3.040 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.283 -6.125 3.689 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.859 -2.386 5.163 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.272 -6.611 5.884 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.850 -2.873 7.356 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.967 -5.608 7.862 1.00 0.00 H new ATOM 487 N LEU A 42 -5.038 -1.340 0.921 1.00 0.00 N ATOM 488 CA LEU A 42 -4.322 -0.550 -0.074 1.00 0.00 C ATOM 489 C LEU A 42 -3.680 0.689 0.542 1.00 0.00 C ATOM 490 O LEU A 42 -4.134 1.213 1.558 1.00 0.00 O ATOM 491 CB LEU A 42 -5.213 -0.177 -1.274 1.00 0.00 C ATOM 492 CG LEU A 42 -6.493 0.589 -0.961 1.00 0.00 C ATOM 493 CD1 LEU A 42 -7.413 -0.254 -0.111 1.00 0.00 C ATOM 494 CD2 LEU A 42 -6.176 1.908 -0.283 1.00 0.00 C ATOM 0 H LEU A 42 -5.427 -0.807 1.699 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.520 -1.184 -0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.619 0.420 -1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.484 -1.095 -1.796 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.004 0.811 -1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.323 0.305 0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.668 -1.168 -0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.913 -0.509 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.103 2.439 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.642 1.719 0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.554 2.515 -0.941 1.00 0.00 H new ATOM 500 N PHE A 43 -2.598 1.123 -0.088 1.00 0.00 N ATOM 501 CA PHE A 43 -1.826 2.277 0.362 1.00 0.00 C ATOM 502 C PHE A 43 -1.820 3.380 -0.693 1.00 0.00 C ATOM 503 O PHE A 43 -1.880 3.101 -1.891 1.00 0.00 O ATOM 504 CB PHE A 43 -0.367 1.875 0.611 1.00 0.00 C ATOM 505 CG PHE A 43 -0.112 1.023 1.826 1.00 0.00 C ATOM 506 CD1 PHE A 43 -0.926 -0.053 2.147 1.00 0.00 C ATOM 507 CD2 PHE A 43 0.979 1.293 2.636 1.00 0.00 C ATOM 508 CE1 PHE A 43 -0.658 -0.836 3.256 1.00 0.00 C ATOM 509 CE2 PHE A 43 1.253 0.515 3.739 1.00 0.00 C ATOM 510 CZ PHE A 43 0.435 -0.553 4.052 1.00 0.00 C ATOM 0 H PHE A 43 -2.227 0.684 -0.930 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.293 2.638 1.278 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.005 1.339 -0.266 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.229 2.783 0.698 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.778 -0.282 1.525 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.624 2.126 2.399 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.303 -1.668 3.499 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.108 0.740 4.359 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.649 -1.165 4.916 1.00 0.00 H new ATOM 520 N LYS A 44 -1.696 4.627 -0.246 1.00 0.00 N ATOM 521 CA LYS A 44 -1.628 5.770 -1.154 1.00 0.00 C ATOM 522 C LYS A 44 -0.796 6.886 -0.535 1.00 0.00 C ATOM 523 O LYS A 44 -0.963 7.223 0.637 1.00 0.00 O ATOM 524 CB LYS A 44 -3.017 6.311 -1.504 1.00 0.00 C ATOM 525 CG LYS A 44 -4.082 5.246 -1.668 1.00 0.00 C ATOM 526 CD LYS A 44 -4.860 5.059 -0.377 1.00 0.00 C ATOM 527 CE LYS A 44 -6.037 6.017 -0.290 1.00 0.00 C ATOM 528 NZ LYS A 44 -5.625 7.430 -0.511 1.00 0.00 N ATOM 0 H LYS A 44 -1.640 4.873 0.742 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.159 5.420 -2.074 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.331 7.004 -0.723 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.948 6.883 -2.429 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.763 5.527 -2.471 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.618 4.303 -1.959 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.220 4.032 -0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.198 5.217 0.474 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.787 5.738 -1.031 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.507 5.926 0.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.441 8.057 -0.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.868 7.679 0.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.278 7.542 -1.485 1.00 0.00 H new ATOM 542 N HIS A 45 0.094 7.460 -1.331 1.00 0.00 N ATOM 543 CA HIS A 45 0.949 8.544 -0.866 1.00 0.00 C ATOM 544 C HIS A 45 1.122 9.585 -1.962 1.00 0.00 C ATOM 545 O HIS A 45 2.177 9.670 -2.585 1.00 0.00 O ATOM 546 CB HIS A 45 2.313 8.007 -0.439 1.00 0.00 C ATOM 547 CG HIS A 45 2.986 8.840 0.607 1.00 0.00 C ATOM 548 ND1 HIS A 45 2.295 9.497 1.605 1.00 0.00 N ATOM 549 CD2 HIS A 45 4.295 9.124 0.810 1.00 0.00 C ATOM 550 CE1 HIS A 45 3.148 10.148 2.374 1.00 0.00 C ATOM 551 NE2 HIS A 45 4.368 9.938 1.914 1.00 0.00 N ATOM 0 H HIS A 45 0.244 7.193 -2.304 1.00 0.00 H new ATOM 0 HA HIS A 45 0.472 9.011 -0.004 1.00 0.00 H new ATOM 0 HB2 HIS A 45 2.192 6.992 -0.060 1.00 0.00 H new ATOM 0 HB3 HIS A 45 2.960 7.946 -1.314 1.00 0.00 H new ATOM 0 HD2 HIS A 45 5.126 8.775 0.215 1.00 0.00 H new ATOM 0 HE1 HIS A 45 2.892 10.750 3.233 1.00 0.00 H new ATOM 0 HE2 HIS A 45 5.226 10.319 2.314 1.00 0.00 H new ATOM 560 N LYS A 46 0.073 10.367 -2.200 1.00 0.00 N ATOM 561 CA LYS A 46 0.103 11.394 -3.236 1.00 0.00 C ATOM 562 C LYS A 46 0.879 12.637 -2.798 1.00 0.00 C ATOM 563 O LYS A 46 0.721 13.708 -3.383 1.00 0.00 O ATOM 564 CB LYS A 46 -1.322 11.779 -3.633 1.00 0.00 C ATOM 565 CG LYS A 46 -2.224 10.580 -3.869 1.00 0.00 C ATOM 566 CD LYS A 46 -3.622 11.006 -4.287 1.00 0.00 C ATOM 567 CE LYS A 46 -4.426 9.831 -4.820 1.00 0.00 C ATOM 568 NZ LYS A 46 -5.266 10.217 -5.988 1.00 0.00 N ATOM 0 H LYS A 46 -0.808 10.309 -1.689 1.00 0.00 H new ATOM 0 HA LYS A 46 0.623 10.973 -4.096 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.754 12.402 -2.850 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.289 12.384 -4.539 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.791 9.944 -4.641 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.282 9.983 -2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.140 11.446 -3.435 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.554 11.779 -5.052 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.748 9.029 -5.110 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.064 9.438 -4.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.798 9.388 -6.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.931 10.965 -5.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.656 10.568 -6.754 1.00 0.00 H new ATOM 582 N SER A 47 1.730 12.491 -1.785 1.00 0.00 N ATOM 583 CA SER A 47 2.531 13.605 -1.308 1.00 0.00 C ATOM 584 C SER A 47 3.473 14.079 -2.408 1.00 0.00 C ATOM 585 O SER A 47 3.483 15.257 -2.769 1.00 0.00 O ATOM 586 CB SER A 47 3.329 13.198 -0.070 1.00 0.00 C ATOM 587 OG SER A 47 4.468 12.433 -0.425 1.00 0.00 O ATOM 0 H SER A 47 1.879 11.615 -1.284 1.00 0.00 H new ATOM 0 HA SER A 47 1.864 14.423 -1.036 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.641 14.089 0.474 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.694 12.620 0.602 1.00 0.00 H new ATOM 0 HG SER A 47 4.962 12.186 0.385 1.00 0.00 H new ATOM 593 N HIS A 48 4.261 13.151 -2.944 1.00 0.00 N ATOM 594 CA HIS A 48 5.203 13.474 -4.010 1.00 0.00 C ATOM 595 C HIS A 48 4.640 13.139 -5.400 1.00 0.00 C ATOM 596 O HIS A 48 4.901 13.866 -6.358 1.00 0.00 O ATOM 597 CB HIS A 48 6.551 12.772 -3.792 1.00 0.00 C ATOM 598 CG HIS A 48 6.451 11.297 -3.558 1.00 0.00 C ATOM 599 ND1 HIS A 48 6.029 10.749 -2.364 1.00 0.00 N ATOM 600 CD2 HIS A 48 6.724 10.249 -4.373 1.00 0.00 C ATOM 601 CE1 HIS A 48 6.048 9.430 -2.456 1.00 0.00 C ATOM 602 NE2 HIS A 48 6.464 9.103 -3.664 1.00 0.00 N ATOM 0 H HIS A 48 4.266 12.172 -2.658 1.00 0.00 H new ATOM 0 HA HIS A 48 5.364 14.551 -3.972 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.183 12.947 -4.663 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.051 13.230 -2.938 1.00 0.00 H new ATOM 0 HD1 HIS A 48 5.747 11.279 -1.539 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.080 10.305 -5.391 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.770 8.738 -1.675 1.00 0.00 H new ATOM 611 N PRO A 49 3.857 12.044 -5.548 1.00 0.00 N ATOM 612 CA PRO A 49 3.280 11.668 -6.846 1.00 0.00 C ATOM 613 C PRO A 49 2.581 12.833 -7.534 1.00 0.00 C ATOM 614 O PRO A 49 1.405 13.098 -7.287 1.00 0.00 O ATOM 615 CB PRO A 49 2.265 10.587 -6.485 1.00 0.00 C ATOM 616 CG PRO A 49 2.804 9.974 -5.247 1.00 0.00 C ATOM 617 CD PRO A 49 3.463 11.094 -4.488 1.00 0.00 C ATOM 0 HA PRO A 49 4.047 11.340 -7.547 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.275 11.011 -6.320 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.168 9.851 -7.283 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.008 9.518 -4.658 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.520 9.186 -5.481 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.779 11.551 -3.773 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.326 10.742 -3.923 1.00 0.00 H new ATOM 625 N ARG A 50 3.306 13.518 -8.409 1.00 0.00 N ATOM 626 CA ARG A 50 2.747 14.646 -9.142 1.00 0.00 C ATOM 627 C ARG A 50 2.295 14.195 -10.527 1.00 0.00 C ATOM 628 O ARG A 50 2.436 14.925 -11.509 1.00 0.00 O ATOM 629 CB ARG A 50 3.780 15.770 -9.257 1.00 0.00 C ATOM 630 CG ARG A 50 3.471 16.970 -8.374 1.00 0.00 C ATOM 631 CD ARG A 50 4.655 17.342 -7.492 1.00 0.00 C ATOM 632 NE ARG A 50 5.017 18.751 -7.629 1.00 0.00 N ATOM 633 CZ ARG A 50 6.187 19.256 -7.244 1.00 0.00 C ATOM 634 NH1 ARG A 50 7.110 18.472 -6.701 1.00 0.00 N ATOM 635 NH2 ARG A 50 6.435 20.549 -7.405 1.00 0.00 N ATOM 0 H ARG A 50 4.281 13.313 -8.628 1.00 0.00 H new ATOM 0 HA ARG A 50 1.883 15.027 -8.598 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.762 15.378 -8.994 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.835 16.097 -10.295 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.201 17.821 -8.999 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.607 16.748 -7.748 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.413 17.129 -6.451 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.511 16.720 -7.753 1.00 0.00 H new ATOM 0 HE ARG A 50 4.334 19.384 -8.044 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.925 17.477 -6.577 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.005 18.865 -6.408 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.730 21.155 -7.823 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.331 20.937 -7.110 1.00 0.00 H new ATOM 649 N ARG A 51 1.757 12.981 -10.596 1.00 0.00 N ATOM 650 CA ARG A 51 1.290 12.420 -11.856 1.00 0.00 C ATOM 651 C ARG A 51 2.459 12.248 -12.822 1.00 0.00 C ATOM 652 O ARG A 51 2.714 13.108 -13.664 1.00 0.00 O ATOM 653 CB ARG A 51 0.217 13.321 -12.476 1.00 0.00 C ATOM 654 CG ARG A 51 -1.177 12.715 -12.446 1.00 0.00 C ATOM 655 CD ARG A 51 -1.997 13.249 -11.282 1.00 0.00 C ATOM 656 NE ARG A 51 -2.022 14.711 -11.250 1.00 0.00 N ATOM 657 CZ ARG A 51 -1.335 15.453 -10.380 1.00 0.00 C ATOM 658 NH1 ARG A 51 -0.545 14.882 -9.477 1.00 0.00 N ATOM 659 NH2 ARG A 51 -1.433 16.774 -10.419 1.00 0.00 N ATOM 0 H ARG A 51 1.634 12.367 -9.791 1.00 0.00 H new ATOM 0 HA ARG A 51 0.851 11.442 -11.660 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.202 14.273 -11.945 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.488 13.537 -13.509 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.689 12.934 -13.383 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.101 11.630 -12.370 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.017 12.871 -11.354 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.584 12.874 -10.346 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.602 15.194 -11.937 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.459 13.866 -9.444 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.024 15.460 -8.817 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.033 17.221 -11.113 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.909 17.344 -9.755 1.00 0.00 H new ATOM 673 N SER A 52 3.172 11.132 -12.683 1.00 0.00 N ATOM 674 CA SER A 52 4.325 10.841 -13.531 1.00 0.00 C ATOM 675 C SER A 52 5.521 11.691 -13.116 1.00 0.00 C ATOM 676 O SER A 52 5.734 12.781 -13.646 1.00 0.00 O ATOM 677 CB SER A 52 3.993 11.088 -15.006 1.00 0.00 C ATOM 678 OG SER A 52 4.187 9.914 -15.775 1.00 0.00 O ATOM 0 H SER A 52 2.970 10.413 -11.989 1.00 0.00 H new ATOM 0 HA SER A 52 4.579 9.789 -13.405 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.959 11.421 -15.099 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.622 11.889 -15.394 1.00 0.00 H new ATOM 0 HG SER A 52 3.967 10.097 -16.712 1.00 0.00 H new ATOM 684 N ARG A 53 6.294 11.186 -12.161 1.00 0.00 N ATOM 685 CA ARG A 53 7.465 11.902 -11.671 1.00 0.00 C ATOM 686 C ARG A 53 8.387 10.976 -10.882 1.00 0.00 C ATOM 687 O ARG A 53 9.611 11.060 -10.997 1.00 0.00 O ATOM 688 CB ARG A 53 7.034 13.080 -10.793 1.00 0.00 C ATOM 689 CG ARG A 53 7.820 14.354 -11.055 1.00 0.00 C ATOM 690 CD ARG A 53 9.087 14.410 -10.218 1.00 0.00 C ATOM 691 NE ARG A 53 9.673 15.747 -10.198 1.00 0.00 N ATOM 692 CZ ARG A 53 10.926 16.003 -9.829 1.00 0.00 C ATOM 693 NH1 ARG A 53 11.726 15.017 -9.446 1.00 0.00 N ATOM 694 NH2 ARG A 53 11.379 17.249 -9.841 1.00 0.00 N ATOM 0 H ARG A 53 6.131 10.285 -11.712 1.00 0.00 H new ATOM 0 HA ARG A 53 8.015 12.278 -12.534 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.975 13.276 -10.958 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.148 12.802 -9.745 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.079 14.412 -12.112 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.197 15.220 -10.831 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.861 14.098 -9.198 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.814 13.702 -10.614 1.00 0.00 H new ATOM 0 HE ARG A 53 9.087 16.532 -10.484 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.382 14.057 -9.433 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.685 15.219 -9.164 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.767 18.011 -10.133 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.339 17.445 -9.558 1.00 0.00 H new ATOM 708 N ARG A 54 7.796 10.097 -10.078 1.00 0.00 N ATOM 709 CA ARG A 54 8.573 9.163 -9.269 1.00 0.00 C ATOM 710 C ARG A 54 7.853 7.826 -9.120 1.00 0.00 C ATOM 711 O ARG A 54 6.771 7.625 -9.674 1.00 0.00 O ATOM 712 CB ARG A 54 8.846 9.763 -7.887 1.00 0.00 C ATOM 713 CG ARG A 54 9.998 10.755 -7.871 1.00 0.00 C ATOM 714 CD ARG A 54 9.581 12.088 -7.271 1.00 0.00 C ATOM 715 NE ARG A 54 10.720 12.978 -7.068 1.00 0.00 N ATOM 716 CZ ARG A 54 10.698 14.040 -6.266 1.00 0.00 C ATOM 717 NH1 ARG A 54 9.598 14.349 -5.590 1.00 0.00 N ATOM 718 NH2 ARG A 54 11.780 14.797 -6.138 1.00 0.00 N ATOM 0 H ARG A 54 6.785 10.012 -9.969 1.00 0.00 H new ATOM 0 HA ARG A 54 9.519 8.985 -9.780 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.944 10.261 -7.532 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.062 8.957 -7.186 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.827 10.341 -7.298 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.359 10.910 -8.888 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.857 12.570 -7.928 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.081 11.916 -6.318 1.00 0.00 H new ATOM 0 HE ARG A 54 11.584 12.774 -7.570 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.763 13.771 -5.683 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.588 15.164 -4.977 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.629 14.565 -6.654 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.763 15.611 -5.523 1.00 0.00 H new ATOM 732 N SER A 55 8.463 6.915 -8.367 1.00 0.00 N ATOM 733 CA SER A 55 7.887 5.595 -8.138 1.00 0.00 C ATOM 734 C SER A 55 7.879 5.259 -6.648 1.00 0.00 C ATOM 735 O SER A 55 8.267 6.080 -5.817 1.00 0.00 O ATOM 736 CB SER A 55 8.675 4.533 -8.907 1.00 0.00 C ATOM 737 OG SER A 55 7.806 3.592 -9.513 1.00 0.00 O ATOM 0 H SER A 55 9.359 7.068 -7.904 1.00 0.00 H new ATOM 0 HA SER A 55 6.858 5.605 -8.497 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.287 5.012 -9.671 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.356 4.019 -8.229 1.00 0.00 H new ATOM 0 HG SER A 55 8.334 2.925 -10.000 1.00 0.00 H new ATOM 743 N ALA A 56 7.441 4.046 -6.315 1.00 0.00 N ATOM 744 CA ALA A 56 7.395 3.610 -4.921 1.00 0.00 C ATOM 745 C ALA A 56 8.779 3.689 -4.288 1.00 0.00 C ATOM 746 O ALA A 56 9.784 3.786 -4.993 1.00 0.00 O ATOM 747 CB ALA A 56 6.843 2.196 -4.826 1.00 0.00 C ATOM 0 H ALA A 56 7.115 3.352 -6.987 1.00 0.00 H new ATOM 0 HA ALA A 56 6.731 4.278 -4.372 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.815 1.886 -3.781 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.835 2.171 -5.239 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.483 1.517 -5.389 1.00 0.00 H new ATOM 753 N LEU A 57 8.834 3.662 -2.958 1.00 0.00 N ATOM 754 CA LEU A 57 10.112 3.750 -2.260 1.00 0.00 C ATOM 755 C LEU A 57 10.140 2.883 -1.005 1.00 0.00 C ATOM 756 O LEU A 57 10.618 1.748 -1.038 1.00 0.00 O ATOM 757 CB LEU A 57 10.437 5.209 -1.901 1.00 0.00 C ATOM 758 CG LEU A 57 9.445 6.255 -2.415 1.00 0.00 C ATOM 759 CD1 LEU A 57 8.402 6.561 -1.351 1.00 0.00 C ATOM 760 CD2 LEU A 57 10.181 7.517 -2.831 1.00 0.00 C ATOM 0 H LEU A 57 8.019 3.581 -2.350 1.00 0.00 H new ATOM 0 HA LEU A 57 10.874 3.372 -2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.495 5.293 -0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.425 5.449 -2.293 1.00 0.00 H new ATOM 0 HG LEU A 57 8.932 5.855 -3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.703 7.306 -1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.860 5.649 -1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.895 6.947 -0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.464 8.253 -3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.717 7.925 -1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.891 7.280 -3.623 1.00 0.00 H new ATOM 766 N HIS A 58 9.632 3.417 0.100 1.00 0.00 N ATOM 767 CA HIS A 58 9.614 2.677 1.353 1.00 0.00 C ATOM 768 C HIS A 58 8.368 1.802 1.447 1.00 0.00 C ATOM 769 O HIS A 58 8.126 1.158 2.468 1.00 0.00 O ATOM 770 CB HIS A 58 9.702 3.617 2.567 1.00 0.00 C ATOM 771 CG HIS A 58 9.416 5.058 2.270 1.00 0.00 C ATOM 772 ND1 HIS A 58 8.242 5.684 2.633 1.00 0.00 N ATOM 773 CD2 HIS A 58 10.164 6.002 1.649 1.00 0.00 C ATOM 774 CE1 HIS A 58 8.279 6.946 2.247 1.00 0.00 C ATOM 775 NE2 HIS A 58 9.434 7.164 1.648 1.00 0.00 N ATOM 0 H HIS A 58 9.230 4.353 0.153 1.00 0.00 H new ATOM 0 HA HIS A 58 10.494 2.034 1.365 1.00 0.00 H new ATOM 0 HB2 HIS A 58 9.001 3.272 3.327 1.00 0.00 H new ATOM 0 HB3 HIS A 58 10.701 3.541 2.996 1.00 0.00 H new ATOM 0 HD2 HIS A 58 11.151 5.865 1.232 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.497 7.676 2.396 1.00 0.00 H new ATOM 0 HE2 HIS A 58 9.736 8.053 1.249 1.00 0.00 H new ATOM 784 N ILE A 59 7.590 1.766 0.367 1.00 0.00 N ATOM 785 CA ILE A 59 6.387 0.952 0.323 1.00 0.00 C ATOM 786 C ILE A 59 6.680 -0.397 -0.328 1.00 0.00 C ATOM 787 O ILE A 59 5.847 -1.302 -0.303 1.00 0.00 O ATOM 788 CB ILE A 59 5.236 1.687 -0.414 1.00 0.00 C ATOM 789 CG1 ILE A 59 4.083 1.941 0.557 1.00 0.00 C ATOM 790 CG2 ILE A 59 4.745 0.908 -1.632 1.00 0.00 C ATOM 791 CD1 ILE A 59 3.448 0.674 1.079 1.00 0.00 C ATOM 0 H ILE A 59 7.775 2.292 -0.487 1.00 0.00 H new ATOM 0 HA ILE A 59 6.060 0.776 1.348 1.00 0.00 H new ATOM 0 HB ILE A 59 5.625 2.638 -0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.450 2.528 1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.322 2.541 0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.940 1.460 -2.116 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.568 0.775 -2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.377 -0.068 -1.316 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.638 0.928 1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.051 0.095 0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.196 0.083 1.607 1.00 0.00 H new ATOM 795 N THR A 60 7.876 -0.530 -0.900 1.00 0.00 N ATOM 796 CA THR A 60 8.277 -1.775 -1.540 1.00 0.00 C ATOM 797 C THR A 60 9.218 -2.558 -0.630 1.00 0.00 C ATOM 798 O THR A 60 10.089 -3.288 -1.100 1.00 0.00 O ATOM 799 CB THR A 60 8.960 -1.491 -2.879 1.00 0.00 C ATOM 800 OG1 THR A 60 8.459 -0.297 -3.452 1.00 0.00 O ATOM 801 CG2 THR A 60 8.774 -2.600 -3.892 1.00 0.00 C ATOM 0 H THR A 60 8.579 0.208 -0.932 1.00 0.00 H new ATOM 0 HA THR A 60 7.384 -2.373 -1.722 1.00 0.00 H new ATOM 0 HB THR A 60 10.022 -1.405 -2.650 1.00 0.00 H new ATOM 0 HG1 THR A 60 7.665 -0.500 -3.989 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.283 -2.335 -4.819 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.194 -3.526 -3.499 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.711 -2.739 -4.089 1.00 0.00 H new ATOM 806 N LYS A 61 9.037 -2.392 0.679 1.00 0.00 N ATOM 807 CA LYS A 61 9.876 -3.077 1.660 1.00 0.00 C ATOM 808 C LYS A 61 9.041 -3.773 2.730 1.00 0.00 C ATOM 809 O LYS A 61 8.854 -4.988 2.691 1.00 0.00 O ATOM 810 CB LYS A 61 10.859 -2.094 2.322 1.00 0.00 C ATOM 811 CG LYS A 61 10.355 -0.654 2.415 1.00 0.00 C ATOM 812 CD LYS A 61 10.235 -0.183 3.861 1.00 0.00 C ATOM 813 CE LYS A 61 10.773 1.228 4.044 1.00 0.00 C ATOM 814 NZ LYS A 61 11.818 1.290 5.102 1.00 0.00 N ATOM 0 H LYS A 61 8.319 -1.791 1.084 1.00 0.00 H new ATOM 0 HA LYS A 61 10.441 -3.838 1.122 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.087 -2.450 3.326 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.793 -2.102 1.761 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.036 0.004 1.875 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.383 -0.578 1.927 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.190 -0.216 4.168 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.780 -0.867 4.512 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.189 1.583 3.101 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.954 1.898 4.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.159 2.268 5.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.414 0.975 6.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.612 0.670 4.843 1.00 0.00 H new ATOM 828 N ARG A 62 8.551 -3.000 3.690 1.00 0.00 N ATOM 829 CA ARG A 62 7.748 -3.549 4.776 1.00 0.00 C ATOM 830 C ARG A 62 6.390 -4.028 4.276 1.00 0.00 C ATOM 831 O ARG A 62 5.682 -4.746 4.982 1.00 0.00 O ATOM 832 CB ARG A 62 7.564 -2.508 5.880 1.00 0.00 C ATOM 833 CG ARG A 62 8.768 -2.380 6.801 1.00 0.00 C ATOM 834 CD ARG A 62 8.561 -3.135 8.104 1.00 0.00 C ATOM 835 NE ARG A 62 9.684 -4.020 8.407 1.00 0.00 N ATOM 836 CZ ARG A 62 9.941 -4.504 9.620 1.00 0.00 C ATOM 837 NH1 ARG A 62 9.158 -4.193 10.646 1.00 0.00 N ATOM 838 NH2 ARG A 62 10.983 -5.302 9.808 1.00 0.00 N ATOM 0 H ARG A 62 8.695 -1.991 3.739 1.00 0.00 H new ATOM 0 HA ARG A 62 8.281 -4.409 5.182 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.361 -1.539 5.424 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.689 -2.771 6.474 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.655 -2.762 6.296 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.952 -1.327 7.015 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.430 -2.423 8.919 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.644 -3.721 8.042 1.00 0.00 H new ATOM 0 HE ARG A 62 10.308 -4.282 7.644 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.355 -3.580 10.507 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.360 -4.567 11.573 1.00 0.00 H new ATOM 0 HH21 ARG A 62 11.588 -5.545 9.023 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.180 -5.673 10.737 1.00 0.00 H new ATOM 852 N LEU A 63 6.030 -3.643 3.055 1.00 0.00 N ATOM 853 CA LEU A 63 4.760 -4.056 2.481 1.00 0.00 C ATOM 854 C LEU A 63 4.859 -5.493 1.993 1.00 0.00 C ATOM 855 O LEU A 63 4.219 -6.383 2.537 1.00 0.00 O ATOM 856 CB LEU A 63 4.360 -3.118 1.333 1.00 0.00 C ATOM 857 CG LEU A 63 2.992 -3.361 0.654 1.00 0.00 C ATOM 858 CD1 LEU A 63 2.219 -4.534 1.260 1.00 0.00 C ATOM 859 CD2 LEU A 63 2.152 -2.096 0.716 1.00 0.00 C ATOM 0 H LEU A 63 6.598 -3.050 2.450 1.00 0.00 H new ATOM 0 HA LEU A 63 3.988 -3.999 3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.369 -2.097 1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.132 -3.178 0.565 1.00 0.00 H new ATOM 0 HG LEU A 63 3.197 -3.625 -0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.269 -4.651 0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.804 -5.448 1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.032 -4.340 2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.190 -2.274 0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.992 -1.816 1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.671 -1.289 0.199 1.00 0.00 H new ATOM 865 N SER A 64 5.674 -5.716 0.973 1.00 0.00 N ATOM 866 CA SER A 64 5.850 -7.058 0.430 1.00 0.00 C ATOM 867 C SER A 64 6.154 -8.058 1.544 1.00 0.00 C ATOM 868 O SER A 64 5.589 -9.154 1.585 1.00 0.00 O ATOM 869 CB SER A 64 6.977 -7.069 -0.604 1.00 0.00 C ATOM 870 OG SER A 64 8.190 -6.601 -0.042 1.00 0.00 O ATOM 0 H SER A 64 6.221 -4.992 0.506 1.00 0.00 H new ATOM 0 HA SER A 64 4.920 -7.353 -0.056 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.116 -8.081 -0.984 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.701 -6.444 -1.453 1.00 0.00 H new ATOM 0 HG SER A 64 8.895 -6.619 -0.723 1.00 0.00 H new ATOM 876 N ASP A 65 7.052 -7.673 2.444 1.00 0.00 N ATOM 877 CA ASP A 65 7.442 -8.532 3.555 1.00 0.00 C ATOM 878 C ASP A 65 6.265 -8.833 4.483 1.00 0.00 C ATOM 879 O ASP A 65 6.088 -9.970 4.919 1.00 0.00 O ATOM 880 CB ASP A 65 8.574 -7.884 4.352 1.00 0.00 C ATOM 881 CG ASP A 65 9.551 -8.904 4.904 1.00 0.00 C ATOM 882 OD1 ASP A 65 9.114 -10.027 5.232 1.00 0.00 O ATOM 883 OD2 ASP A 65 10.752 -8.579 5.007 1.00 0.00 O ATOM 0 H ASP A 65 7.524 -6.769 2.425 1.00 0.00 H new ATOM 0 HA ASP A 65 7.785 -9.476 3.132 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.109 -7.182 3.713 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.151 -7.308 5.175 1.00 0.00 H new ATOM 888 N ASP A 66 5.474 -7.811 4.797 1.00 0.00 N ATOM 889 CA ASP A 66 4.329 -7.981 5.693 1.00 0.00 C ATOM 890 C ASP A 66 3.111 -8.551 4.966 1.00 0.00 C ATOM 891 O ASP A 66 2.389 -9.398 5.498 1.00 0.00 O ATOM 892 CB ASP A 66 3.963 -6.645 6.340 1.00 0.00 C ATOM 893 CG ASP A 66 5.018 -6.166 7.318 1.00 0.00 C ATOM 894 OD1 ASP A 66 6.216 -6.413 7.066 1.00 0.00 O ATOM 895 OD2 ASP A 66 4.646 -5.546 8.336 1.00 0.00 O ATOM 0 H ASP A 66 5.602 -6.861 4.448 1.00 0.00 H new ATOM 0 HA ASP A 66 4.623 -8.695 6.462 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.825 -5.894 5.562 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.010 -6.745 6.859 1.00 0.00 H new ATOM 900 N ASP A 67 2.883 -8.073 3.751 1.00 0.00 N ATOM 901 CA ASP A 67 1.749 -8.514 2.956 1.00 0.00 C ATOM 902 C ASP A 67 1.903 -9.948 2.481 1.00 0.00 C ATOM 903 O ASP A 67 1.048 -10.455 1.756 1.00 0.00 O ATOM 904 CB ASP A 67 1.530 -7.589 1.767 1.00 0.00 C ATOM 905 CG ASP A 67 0.274 -6.751 1.920 1.00 0.00 C ATOM 906 OD1 ASP A 67 0.293 -5.795 2.725 1.00 0.00 O ATOM 907 OD2 ASP A 67 -0.730 -7.055 1.243 1.00 0.00 O ATOM 0 H ASP A 67 3.472 -7.377 3.294 1.00 0.00 H new ATOM 0 HA ASP A 67 0.874 -8.474 3.605 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.392 -6.932 1.656 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.461 -8.182 0.855 1.00 0.00 H new ATOM 912 N ARG A 68 2.970 -10.620 2.906 1.00 0.00 N ATOM 913 CA ARG A 68 3.170 -12.014 2.529 1.00 0.00 C ATOM 914 C ARG A 68 1.874 -12.794 2.747 1.00 0.00 C ATOM 915 O ARG A 68 1.652 -13.835 2.127 1.00 0.00 O ATOM 916 CB ARG A 68 4.311 -12.641 3.338 1.00 0.00 C ATOM 917 CG ARG A 68 4.283 -12.293 4.819 1.00 0.00 C ATOM 918 CD ARG A 68 3.053 -12.860 5.506 1.00 0.00 C ATOM 919 NE ARG A 68 3.354 -13.351 6.848 1.00 0.00 N ATOM 920 CZ ARG A 68 2.578 -14.200 7.519 1.00 0.00 C ATOM 921 NH1 ARG A 68 1.456 -14.656 6.977 1.00 0.00 N ATOM 922 NH2 ARG A 68 2.926 -14.594 8.737 1.00 0.00 N ATOM 0 H ARG A 68 3.699 -10.228 3.503 1.00 0.00 H new ATOM 0 HA ARG A 68 3.443 -12.056 1.475 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.267 -13.725 3.229 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.262 -12.316 2.917 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.180 -12.681 5.301 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.300 -11.210 4.939 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.284 -12.090 5.566 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.645 -13.673 4.906 1.00 0.00 H new ATOM 0 HE ARG A 68 4.209 -13.024 7.298 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.183 -14.356 6.041 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.866 -15.306 7.496 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.787 -14.247 9.159 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.332 -15.244 9.252 1.00 0.00 H new ATOM 936 N VAL A 69 1.012 -12.254 3.622 1.00 0.00 N ATOM 937 CA VAL A 69 -0.286 -12.847 3.927 1.00 0.00 C ATOM 938 C VAL A 69 -0.873 -13.585 2.727 1.00 0.00 C ATOM 939 O VAL A 69 -1.110 -14.791 2.776 1.00 0.00 O ATOM 940 CB VAL A 69 -1.302 -11.765 4.357 1.00 0.00 C ATOM 941 CG1 VAL A 69 -1.554 -11.823 5.854 1.00 0.00 C ATOM 942 CG2 VAL A 69 -0.851 -10.369 3.933 1.00 0.00 C ATOM 0 H VAL A 69 1.201 -11.393 4.135 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.113 -13.553 4.739 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.241 -11.975 3.845 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.272 -11.052 6.132 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.953 -12.803 6.118 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.618 -11.656 6.387 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.591 -9.635 4.253 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.110 -10.141 4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.750 -10.333 2.848 1.00 0.00 H new ATOM 946 N THR A 70 -1.104 -12.839 1.653 1.00 0.00 N ATOM 947 CA THR A 70 -1.664 -13.405 0.435 1.00 0.00 C ATOM 948 C THR A 70 -0.998 -12.800 -0.792 1.00 0.00 C ATOM 949 O THR A 70 -0.123 -13.419 -1.397 1.00 0.00 O ATOM 950 CB THR A 70 -3.171 -13.187 0.381 1.00 0.00 C ATOM 951 OG1 THR A 70 -3.773 -13.505 1.622 1.00 0.00 O ATOM 952 CG2 THR A 70 -3.852 -14.010 -0.688 1.00 0.00 C ATOM 0 H THR A 70 -0.911 -11.839 1.603 1.00 0.00 H new ATOM 0 HA THR A 70 -1.472 -14.478 0.441 1.00 0.00 H new ATOM 0 HB THR A 70 -3.302 -12.131 0.144 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.740 -13.356 1.564 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.923 -13.809 -0.674 1.00 0.00 H new ATOM 0 HG22 THR A 70 -3.446 -13.746 -1.664 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.679 -15.069 -0.497 1.00 0.00 H new ATOM 957 N TRP A 71 -1.395 -11.581 -1.148 1.00 0.00 N ATOM 958 CA TRP A 71 -0.798 -10.909 -2.298 1.00 0.00 C ATOM 959 C TRP A 71 -0.746 -9.411 -2.089 1.00 0.00 C ATOM 960 O TRP A 71 -1.583 -8.835 -1.396 1.00 0.00 O ATOM 961 CB TRP A 71 -1.538 -11.241 -3.595 1.00 0.00 C ATOM 962 CG TRP A 71 -2.806 -10.467 -3.785 1.00 0.00 C ATOM 963 CD1 TRP A 71 -4.051 -10.870 -3.429 1.00 0.00 C ATOM 964 CD2 TRP A 71 -2.954 -9.166 -4.373 1.00 0.00 C ATOM 965 NE1 TRP A 71 -4.974 -9.910 -3.761 1.00 0.00 N ATOM 966 CE2 TRP A 71 -4.326 -8.853 -4.340 1.00 0.00 C ATOM 967 CE3 TRP A 71 -2.066 -8.237 -4.923 1.00 0.00 C ATOM 968 CZ2 TRP A 71 -4.831 -7.653 -4.834 1.00 0.00 C ATOM 969 CZ3 TRP A 71 -2.570 -7.043 -5.414 1.00 0.00 C ATOM 970 CH2 TRP A 71 -3.940 -6.762 -5.366 1.00 0.00 C ATOM 0 H TRP A 71 -2.116 -11.045 -0.665 1.00 0.00 H new ATOM 0 HA TRP A 71 0.223 -11.280 -2.391 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.876 -11.048 -4.439 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.769 -12.306 -3.608 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -4.283 -11.811 -2.953 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -5.979 -9.974 -3.602 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.007 -8.446 -4.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -5.888 -7.434 -4.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -1.894 -6.317 -5.841 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -4.301 -5.822 -5.757 1.00 0.00 H new ATOM 981 N ALA A 72 0.258 -8.795 -2.685 1.00 0.00 N ATOM 982 CA ALA A 72 0.455 -7.369 -2.566 1.00 0.00 C ATOM 983 C ALA A 72 1.135 -6.792 -3.805 1.00 0.00 C ATOM 984 O ALA A 72 2.284 -7.114 -4.105 1.00 0.00 O ATOM 985 CB ALA A 72 1.261 -7.092 -1.312 1.00 0.00 C ATOM 0 H ALA A 72 0.954 -9.269 -3.261 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.515 -6.877 -2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.417 -6.018 -1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.720 -7.464 -0.442 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.226 -7.594 -1.381 1.00 0.00 H new ATOM 991 N GLU A 73 0.412 -5.930 -4.516 1.00 0.00 N ATOM 992 CA GLU A 73 0.932 -5.292 -5.722 1.00 0.00 C ATOM 993 C GLU A 73 0.634 -3.797 -5.703 1.00 0.00 C ATOM 994 O GLU A 73 -0.384 -3.367 -5.161 1.00 0.00 O ATOM 995 CB GLU A 73 0.322 -5.931 -6.970 1.00 0.00 C ATOM 996 CG GLU A 73 1.167 -5.748 -8.220 1.00 0.00 C ATOM 997 CD GLU A 73 1.524 -7.065 -8.884 1.00 0.00 C ATOM 998 OE1 GLU A 73 0.607 -7.736 -9.402 1.00 0.00 O ATOM 999 OE2 GLU A 73 2.720 -7.424 -8.884 1.00 0.00 O ATOM 0 H GLU A 73 -0.541 -5.656 -4.276 1.00 0.00 H new ATOM 0 HA GLU A 73 2.012 -5.435 -5.747 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.180 -6.997 -6.790 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.665 -5.502 -7.142 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.627 -5.122 -8.930 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.083 -5.217 -7.960 1.00 0.00 H new ATOM 1006 N GLN A 74 1.530 -3.005 -6.286 1.00 0.00 N ATOM 1007 CA GLN A 74 1.359 -1.555 -6.317 1.00 0.00 C ATOM 1008 C GLN A 74 0.565 -1.124 -7.544 1.00 0.00 C ATOM 1009 O GLN A 74 0.352 -1.913 -8.465 1.00 0.00 O ATOM 1010 CB GLN A 74 2.720 -0.859 -6.309 1.00 0.00 C ATOM 1011 CG GLN A 74 3.667 -1.384 -5.242 1.00 0.00 C ATOM 1012 CD GLN A 74 5.118 -1.338 -5.678 1.00 0.00 C ATOM 1013 OE1 GLN A 74 5.868 -0.442 -5.290 1.00 0.00 O ATOM 1014 NE2 GLN A 74 5.523 -2.309 -6.490 1.00 0.00 N ATOM 0 H GLN A 74 2.379 -3.341 -6.742 1.00 0.00 H new ATOM 0 HA GLN A 74 0.803 -1.264 -5.426 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.186 -0.979 -7.287 1.00 0.00 H new ATOM 0 HB3 GLN A 74 2.571 0.210 -6.156 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.546 -0.796 -4.332 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.398 -2.411 -4.996 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.868 -3.032 -6.787 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.489 -2.331 -6.816 1.00 0.00 H new ATOM 1021 N GLN A 75 0.122 0.133 -7.553 1.00 0.00 N ATOM 1022 CA GLN A 75 -0.652 0.652 -8.675 1.00 0.00 C ATOM 1023 C GLN A 75 -0.433 2.151 -8.846 1.00 0.00 C ATOM 1024 O GLN A 75 0.034 2.829 -7.933 1.00 0.00 O ATOM 1025 CB GLN A 75 -2.142 0.357 -8.472 1.00 0.00 C ATOM 1026 CG GLN A 75 -2.751 -0.485 -9.580 1.00 0.00 C ATOM 1027 CD GLN A 75 -4.249 -0.290 -9.704 1.00 0.00 C ATOM 1028 OE1 GLN A 75 -4.999 -0.538 -8.760 1.00 0.00 O ATOM 1029 NE2 GLN A 75 -4.693 0.158 -10.873 1.00 0.00 N ATOM 0 H GLN A 75 0.285 0.804 -6.802 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.310 0.153 -9.581 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -2.276 -0.158 -7.521 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.685 1.300 -8.403 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -2.276 -0.231 -10.527 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -2.540 -1.537 -9.390 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -4.035 0.351 -11.628 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -5.692 0.309 -11.015 1.00 0.00 H new ATOM 1036 N TYR A 76 -0.773 2.659 -10.027 1.00 0.00 N ATOM 1037 CA TYR A 76 -0.614 4.075 -10.322 1.00 0.00 C ATOM 1038 C TYR A 76 -1.768 4.586 -11.179 1.00 0.00 C ATOM 1039 O TYR A 76 -2.378 5.604 -10.858 1.00 99.99 O ATOM 1040 CB TYR A 76 0.716 4.323 -11.035 1.00 0.00 C ATOM 1041 CG TYR A 76 1.847 4.686 -10.099 1.00 0.00 C ATOM 1042 CD1 TYR A 76 2.350 3.769 -9.183 1.00 0.00 C ATOM 1043 CD2 TYR A 76 2.408 5.953 -10.133 1.00 0.00 C ATOM 1044 CE1 TYR A 76 3.382 4.109 -8.328 1.00 0.00 C ATOM 1045 CE2 TYR A 76 3.437 6.302 -9.285 1.00 0.00 C ATOM 1046 CZ TYR A 76 3.922 5.377 -8.383 1.00 0.00 C ATOM 1047 OH TYR A 76 4.948 5.723 -7.533 1.00 0.00 O ATOM 0 H TYR A 76 -1.160 2.109 -10.794 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.619 4.620 -9.378 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.991 3.429 -11.594 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.585 5.125 -11.761 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.928 2.776 -9.139 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.032 6.680 -10.837 1.00 0.00 H new ATOM 0 HE1 TYR A 76 3.763 3.386 -7.622 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.862 7.294 -9.326 1.00 0.00 H new ATOM 0 HH TYR A 76 5.278 6.616 -7.765 1.00 0.00 H new