USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 558 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 47 HIS : no HD1:sc= 0.79 K(o=1.7,f=-3.7!) USER MOD Set 1.2: A 51 SER OG : rot -134:sc= 0.939 USER MOD Set 2.1: A 24 THR OG1 : rot -57:sc= 1.5 USER MOD Set 2.2: A 26 THR OG1 : rot -107:sc= 1.22 USER MOD Set 3.1: A 11 GLN : amide:sc= 0.753 K(o=1.8,f=-0.58) USER MOD Set 3.2: A 15 SER OG : rot 176:sc= 1.03 USER MOD Set 4.1: A 14 ASN : amide:sc= 0.592 K(o=1.5,f=-2.3!) USER MOD Set 4.2: A 18 GLN : amide:sc= 0.875 K(o=1.5,f=-0.75) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0207 USER MOD Single : A 13 MET CE :methyl -154:sc= -0.222 (180deg=-1.12) USER MOD Single : A 22 LYS NZ :NH3+ 171:sc= -0.0107 (180deg=-0.131) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.176 F(o=-0.97!,f=-0.18) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.996 F(o=-5.8!,f=-1) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 84:sc= 0.529 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 174:sc= 1.13 (180deg=1.1) USER MOD Single : A 50 GLN : amide:sc= -1.85! C(o=-1.8!,f=-2.4!) USER MOD Single : A 52 SER OG : rot 150:sc= -0.211 USER MOD Single : A 58 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 60 THR OG1 : rot 160:sc= -0.699 USER MOD Single : A 64 TYR OH : rot 120:sc= 1.09 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= 0.0245 X(o=0.024,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 3 -5.926 -6.788 -5.399 1.00 0.57 N ATOM 32 CA GLU A 3 -5.257 -6.911 -4.117 1.00 0.47 C ATOM 33 C GLU A 3 -4.047 -7.817 -4.264 1.00 0.42 C ATOM 34 O GLU A 3 -4.040 -8.718 -5.104 1.00 0.50 O ATOM 35 CB GLU A 3 -6.215 -7.479 -3.074 1.00 0.58 C ATOM 36 CG GLU A 3 -7.501 -6.685 -2.932 1.00 0.70 C ATOM 37 CD GLU A 3 -8.654 -7.536 -2.452 1.00 1.26 C ATOM 38 OE1 GLU A 3 -9.341 -8.148 -3.300 1.00 1.35 O ATOM 39 OE2 GLU A 3 -8.880 -7.614 -1.231 1.00 1.99 O ATOM 0 HA GLU A 3 -4.931 -5.925 -3.786 1.00 0.47 H new ATOM 0 HB2 GLU A 3 -6.460 -8.507 -3.340 1.00 0.58 H new ATOM 0 HB3 GLU A 3 -5.710 -7.512 -2.109 1.00 0.58 H new ATOM 0 HG2 GLU A 3 -7.343 -5.864 -2.232 1.00 0.70 H new ATOM 0 HG3 GLU A 3 -7.758 -6.239 -3.893 1.00 0.70 H new ATOM 46 N TRP A 4 -3.036 -7.584 -3.452 1.00 0.36 N ATOM 47 CA TRP A 4 -1.808 -8.357 -3.521 1.00 0.38 C ATOM 48 C TRP A 4 -1.378 -8.765 -2.123 1.00 0.34 C ATOM 49 O TRP A 4 -1.794 -8.151 -1.139 1.00 0.34 O ATOM 50 CB TRP A 4 -0.694 -7.543 -4.186 1.00 0.45 C ATOM 51 CG TRP A 4 -0.992 -7.157 -5.602 1.00 0.57 C ATOM 52 CD1 TRP A 4 -0.834 -7.936 -6.712 1.00 1.00 C ATOM 53 CD2 TRP A 4 -1.492 -5.896 -6.065 1.00 0.51 C ATOM 54 NE1 TRP A 4 -1.210 -7.239 -7.833 1.00 1.17 N ATOM 55 CE2 TRP A 4 -1.618 -5.986 -7.465 1.00 0.84 C ATOM 56 CE3 TRP A 4 -1.849 -4.703 -5.435 1.00 0.53 C ATOM 57 CZ2 TRP A 4 -2.079 -4.927 -8.241 1.00 0.89 C ATOM 58 CZ3 TRP A 4 -2.311 -3.653 -6.207 1.00 0.60 C ATOM 59 CH2 TRP A 4 -2.424 -3.771 -7.598 1.00 0.65 C ATOM 0 H TRP A 4 -3.039 -6.862 -2.732 1.00 0.36 H new ATOM 0 HA TRP A 4 -1.993 -9.249 -4.120 1.00 0.38 H new ATOM 0 HB2 TRP A 4 -0.518 -6.640 -3.602 1.00 0.45 H new ATOM 0 HB3 TRP A 4 0.229 -8.122 -4.163 1.00 0.45 H new ATOM 0 HD1 TRP A 4 -0.467 -8.952 -6.709 1.00 1.00 H new ATOM 0 HE1 TRP A 4 -1.189 -7.598 -8.788 1.00 1.17 H new ATOM 0 HE3 TRP A 4 -1.766 -4.602 -4.363 1.00 0.53 H new ATOM 0 HZ2 TRP A 4 -2.161 -5.015 -9.314 1.00 0.89 H new ATOM 0 HZ3 TRP A 4 -2.590 -2.726 -5.729 1.00 0.60 H new ATOM 0 HH2 TRP A 4 -2.790 -2.933 -8.173 1.00 0.65 H new ATOM 70 N THR A 5 -0.552 -9.796 -2.036 1.00 0.37 N ATOM 71 CA THR A 5 -0.009 -10.213 -0.761 1.00 0.39 C ATOM 72 C THR A 5 1.308 -9.491 -0.536 1.00 0.35 C ATOM 73 O THR A 5 2.352 -9.882 -1.066 1.00 0.44 O ATOM 74 CB THR A 5 0.217 -11.737 -0.705 1.00 0.55 C ATOM 75 OG1 THR A 5 -0.994 -12.423 -1.066 1.00 1.13 O ATOM 76 CG2 THR A 5 0.653 -12.169 0.689 1.00 1.11 C ATOM 0 H THR A 5 -0.246 -10.355 -2.832 1.00 0.37 H new ATOM 0 HA THR A 5 -0.726 -9.961 0.021 1.00 0.39 H new ATOM 0 HB THR A 5 1.007 -11.993 -1.411 1.00 0.55 H new ATOM 0 HG1 THR A 5 -0.845 -13.391 -1.031 1.00 1.13 H new ATOM 0 HG21 THR A 5 0.806 -13.248 0.704 1.00 1.11 H new ATOM 0 HG22 THR A 5 1.584 -11.666 0.951 1.00 1.11 H new ATOM 0 HG23 THR A 5 -0.119 -11.902 1.411 1.00 1.11 H new ATOM 84 N LEU A 6 1.242 -8.421 0.230 1.00 0.30 N ATOM 85 CA LEU A 6 2.383 -7.552 0.430 1.00 0.34 C ATOM 86 C LEU A 6 3.096 -7.892 1.727 1.00 0.42 C ATOM 87 O LEU A 6 2.477 -8.381 2.672 1.00 0.75 O ATOM 88 CB LEU A 6 1.920 -6.093 0.463 1.00 0.42 C ATOM 89 CG LEU A 6 1.062 -5.650 -0.727 1.00 0.47 C ATOM 90 CD1 LEU A 6 0.551 -4.233 -0.516 1.00 0.66 C ATOM 91 CD2 LEU A 6 1.849 -5.743 -2.024 1.00 0.53 C ATOM 0 H LEU A 6 0.401 -8.131 0.729 1.00 0.30 H new ATOM 0 HA LEU A 6 3.079 -7.697 -0.397 1.00 0.34 H new ATOM 0 HB2 LEU A 6 1.353 -5.930 1.379 1.00 0.42 H new ATOM 0 HB3 LEU A 6 2.800 -5.451 0.514 1.00 0.42 H new ATOM 0 HG LEU A 6 0.206 -6.321 -0.798 1.00 0.47 H new ATOM 0 HD11 LEU A 6 -0.056 -3.934 -1.370 1.00 0.66 H new ATOM 0 HD12 LEU A 6 -0.054 -4.195 0.390 1.00 0.66 H new ATOM 0 HD13 LEU A 6 1.397 -3.552 -0.416 1.00 0.66 H new ATOM 0 HD21 LEU A 6 1.220 -5.424 -2.855 1.00 0.53 H new ATOM 0 HD22 LEU A 6 2.726 -5.099 -1.964 1.00 0.53 H new ATOM 0 HD23 LEU A 6 2.166 -6.774 -2.184 1.00 0.53 H new ATOM 103 N ASP A 7 4.390 -7.628 1.768 1.00 0.38 N ATOM 104 CA ASP A 7 5.171 -7.810 2.981 1.00 0.44 C ATOM 105 C ASP A 7 6.128 -6.640 3.135 1.00 0.39 C ATOM 106 O ASP A 7 7.177 -6.583 2.495 1.00 0.46 O ATOM 107 CB ASP A 7 5.948 -9.131 2.946 1.00 0.58 C ATOM 108 CG ASP A 7 6.687 -9.403 4.244 1.00 1.30 C ATOM 109 OD1 ASP A 7 7.818 -8.910 4.409 1.00 2.12 O ATOM 110 OD2 ASP A 7 6.144 -10.131 5.104 1.00 1.67 O ATOM 0 H ASP A 7 4.926 -7.285 0.971 1.00 0.38 H new ATOM 0 HA ASP A 7 4.494 -7.848 3.834 1.00 0.44 H new ATOM 0 HB2 ASP A 7 5.257 -9.950 2.746 1.00 0.58 H new ATOM 0 HB3 ASP A 7 6.662 -9.108 2.123 1.00 0.58 H new ATOM 115 N ILE A 8 5.730 -5.682 3.953 1.00 0.35 N ATOM 116 CA ILE A 8 6.506 -4.475 4.160 1.00 0.32 C ATOM 117 C ILE A 8 7.255 -4.534 5.489 1.00 0.30 C ATOM 118 O ILE A 8 6.658 -4.770 6.542 1.00 0.35 O ATOM 119 CB ILE A 8 5.594 -3.225 4.105 1.00 0.37 C ATOM 120 CG1 ILE A 8 5.291 -2.843 2.647 1.00 0.52 C ATOM 121 CG2 ILE A 8 6.218 -2.041 4.834 1.00 0.44 C ATOM 122 CD1 ILE A 8 4.455 -3.850 1.887 1.00 0.91 C ATOM 0 H ILE A 8 4.863 -5.719 4.490 1.00 0.35 H new ATOM 0 HA ILE A 8 7.240 -4.401 3.358 1.00 0.32 H new ATOM 0 HB ILE A 8 4.662 -3.479 4.610 1.00 0.37 H new ATOM 0 HG12 ILE A 8 4.775 -1.883 2.638 1.00 0.52 H new ATOM 0 HG13 ILE A 8 6.234 -2.703 2.119 1.00 0.52 H new ATOM 0 HG21 ILE A 8 5.549 -1.183 4.774 1.00 0.44 H new ATOM 0 HG22 ILE A 8 6.380 -2.302 5.880 1.00 0.44 H new ATOM 0 HG23 ILE A 8 7.172 -1.790 4.371 1.00 0.44 H new ATOM 0 HD11 ILE A 8 4.293 -3.495 0.869 1.00 0.91 H new ATOM 0 HD12 ILE A 8 4.975 -4.807 1.859 1.00 0.91 H new ATOM 0 HD13 ILE A 8 3.493 -3.974 2.385 1.00 0.91 H new ATOM 134 N PRO A 9 8.589 -4.354 5.431 1.00 0.26 N ATOM 135 CA PRO A 9 9.463 -4.364 6.609 1.00 0.26 C ATOM 136 C PRO A 9 9.101 -3.299 7.644 1.00 0.27 C ATOM 137 O PRO A 9 8.421 -2.315 7.343 1.00 0.32 O ATOM 138 CB PRO A 9 10.852 -4.071 6.024 1.00 0.29 C ATOM 139 CG PRO A 9 10.757 -4.481 4.599 1.00 0.35 C ATOM 140 CD PRO A 9 9.354 -4.150 4.187 1.00 0.29 C ATOM 0 HA PRO A 9 9.387 -5.310 7.145 1.00 0.26 H new ATOM 0 HB2 PRO A 9 11.105 -3.015 6.116 1.00 0.29 H new ATOM 0 HB3 PRO A 9 11.628 -4.631 6.546 1.00 0.29 H new ATOM 0 HG2 PRO A 9 11.484 -3.947 3.986 1.00 0.35 H new ATOM 0 HG3 PRO A 9 10.961 -5.545 4.481 1.00 0.35 H new ATOM 0 HD2 PRO A 9 9.270 -3.125 3.825 1.00 0.29 H new ATOM 0 HD3 PRO A 9 9.004 -4.801 3.386 1.00 0.29 H new ATOM 148 N ALA A 10 9.596 -3.492 8.856 1.00 0.30 N ATOM 149 CA ALA A 10 9.334 -2.580 9.962 1.00 0.33 C ATOM 150 C ALA A 10 10.606 -1.840 10.328 1.00 0.35 C ATOM 151 O ALA A 10 10.791 -1.395 11.462 1.00 0.43 O ATOM 152 CB ALA A 10 8.785 -3.338 11.159 1.00 0.41 C ATOM 0 H ALA A 10 10.190 -4.284 9.102 1.00 0.30 H new ATOM 0 HA ALA A 10 8.583 -1.853 9.653 1.00 0.33 H new ATOM 0 HB1 ALA A 10 8.595 -2.641 11.975 1.00 0.41 H new ATOM 0 HB2 ALA A 10 7.855 -3.833 10.881 1.00 0.41 H new ATOM 0 HB3 ALA A 10 9.511 -4.085 11.481 1.00 0.41 H new ATOM 158 N GLN A 11 11.475 -1.731 9.346 1.00 0.34 N ATOM 159 CA GLN A 11 12.728 -1.021 9.490 1.00 0.40 C ATOM 160 C GLN A 11 12.638 0.300 8.737 1.00 0.35 C ATOM 161 O GLN A 11 11.537 0.788 8.482 1.00 0.37 O ATOM 162 CB GLN A 11 13.869 -1.885 8.949 1.00 0.53 C ATOM 163 CG GLN A 11 13.691 -2.274 7.489 1.00 0.96 C ATOM 164 CD GLN A 11 14.700 -3.299 7.018 1.00 0.90 C ATOM 165 OE1 GLN A 11 15.790 -2.954 6.566 1.00 1.61 O ATOM 166 NE2 GLN A 11 14.337 -4.567 7.110 1.00 0.90 N ATOM 0 H GLN A 11 11.331 -2.135 8.420 1.00 0.34 H new ATOM 0 HA GLN A 11 12.927 -0.812 10.541 1.00 0.40 H new ATOM 0 HB2 GLN A 11 14.809 -1.345 9.062 1.00 0.53 H new ATOM 0 HB3 GLN A 11 13.947 -2.790 9.552 1.00 0.53 H new ATOM 0 HG2 GLN A 11 12.686 -2.670 7.345 1.00 0.96 H new ATOM 0 HG3 GLN A 11 13.773 -1.381 6.869 1.00 0.96 H new ATOM 0 HE21 GLN A 11 13.423 -4.809 7.492 1.00 0.90 H new ATOM 0 HE22 GLN A 11 14.971 -5.303 6.799 1.00 0.90 H new ATOM 175 N SER A 12 13.779 0.877 8.390 1.00 0.38 N ATOM 176 CA SER A 12 13.813 2.105 7.607 1.00 0.40 C ATOM 177 C SER A 12 12.924 1.983 6.359 1.00 0.36 C ATOM 178 O SER A 12 12.988 0.991 5.627 1.00 0.34 O ATOM 179 CB SER A 12 15.254 2.401 7.188 1.00 0.50 C ATOM 180 OG SER A 12 16.149 2.224 8.276 1.00 1.30 O ATOM 0 H SER A 12 14.698 0.513 8.640 1.00 0.38 H new ATOM 0 HA SER A 12 13.432 2.921 8.221 1.00 0.40 H new ATOM 0 HB2 SER A 12 15.540 1.743 6.367 1.00 0.50 H new ATOM 0 HB3 SER A 12 15.325 3.423 6.817 1.00 0.50 H new ATOM 0 HG SER A 12 17.064 2.418 7.982 1.00 1.30 H new ATOM 186 N MET A 13 12.093 3.010 6.147 1.00 0.42 N ATOM 187 CA MET A 13 11.169 3.094 5.005 1.00 0.46 C ATOM 188 C MET A 13 11.897 2.850 3.688 1.00 0.42 C ATOM 189 O MET A 13 11.295 2.424 2.703 1.00 0.45 O ATOM 190 CB MET A 13 10.497 4.479 4.994 1.00 0.61 C ATOM 191 CG MET A 13 9.570 4.727 3.812 1.00 0.68 C ATOM 192 SD MET A 13 8.675 6.288 3.944 1.00 1.29 S ATOM 193 CE MET A 13 7.790 6.045 5.480 1.00 1.00 C ATOM 0 H MET A 13 12.041 3.816 6.769 1.00 0.42 H new ATOM 0 HA MET A 13 10.410 2.319 5.113 1.00 0.46 H new ATOM 0 HB2 MET A 13 9.928 4.599 5.916 1.00 0.61 H new ATOM 0 HB3 MET A 13 11.273 5.244 4.996 1.00 0.61 H new ATOM 0 HG2 MET A 13 10.153 4.724 2.891 1.00 0.68 H new ATOM 0 HG3 MET A 13 8.855 3.908 3.739 1.00 0.68 H new ATOM 0 HE1 MET A 13 6.887 6.655 5.480 1.00 1.00 H new ATOM 0 HE2 MET A 13 7.518 4.994 5.581 1.00 1.00 H new ATOM 0 HE3 MET A 13 8.425 6.338 6.316 1.00 1.00 H new ATOM 203 N ASN A 14 13.192 3.124 3.693 1.00 0.41 N ATOM 204 CA ASN A 14 14.058 2.875 2.548 1.00 0.45 C ATOM 205 C ASN A 14 13.930 1.419 2.086 1.00 0.41 C ATOM 206 O ASN A 14 13.772 1.151 0.895 1.00 0.47 O ATOM 207 CB ASN A 14 15.506 3.195 2.940 1.00 0.52 C ATOM 208 CG ASN A 14 16.456 3.285 1.758 1.00 1.32 C ATOM 209 OD1 ASN A 14 16.329 2.559 0.774 1.00 2.26 O ATOM 210 ND2 ASN A 14 17.407 4.203 1.844 1.00 1.85 N ATOM 0 H ASN A 14 13.676 3.528 4.495 1.00 0.41 H new ATOM 0 HA ASN A 14 13.759 3.515 1.718 1.00 0.45 H new ATOM 0 HB2 ASN A 14 15.525 4.140 3.482 1.00 0.52 H new ATOM 0 HB3 ASN A 14 15.865 2.427 3.625 1.00 0.52 H new ATOM 0 HD21 ASN A 14 18.067 4.327 1.076 1.00 1.85 H new ATOM 0 HD22 ASN A 14 17.479 4.786 2.678 1.00 1.85 H new ATOM 217 N SER A 15 13.944 0.489 3.036 1.00 0.36 N ATOM 218 CA SER A 15 13.868 -0.933 2.717 1.00 0.36 C ATOM 219 C SER A 15 12.433 -1.327 2.374 1.00 0.32 C ATOM 220 O SER A 15 12.199 -2.191 1.528 1.00 0.32 O ATOM 221 CB SER A 15 14.367 -1.759 3.898 1.00 0.38 C ATOM 222 OG SER A 15 15.586 -1.235 4.398 1.00 1.20 O ATOM 0 H SER A 15 14.007 0.694 4.033 1.00 0.36 H new ATOM 0 HA SER A 15 14.500 -1.130 1.851 1.00 0.36 H new ATOM 0 HB2 SER A 15 13.616 -1.763 4.688 1.00 0.38 H new ATOM 0 HB3 SER A 15 14.510 -2.794 3.589 1.00 0.38 H new ATOM 0 HG SER A 15 15.855 -1.737 5.196 1.00 1.20 H new ATOM 228 N ALA A 16 11.479 -0.691 3.045 1.00 0.31 N ATOM 229 CA ALA A 16 10.066 -0.928 2.780 1.00 0.32 C ATOM 230 C ALA A 16 9.708 -0.556 1.345 1.00 0.30 C ATOM 231 O ALA A 16 8.964 -1.274 0.674 1.00 0.29 O ATOM 232 CB ALA A 16 9.208 -0.146 3.763 1.00 0.38 C ATOM 0 H ALA A 16 11.660 -0.006 3.778 1.00 0.31 H new ATOM 0 HA ALA A 16 9.868 -1.992 2.910 1.00 0.32 H new ATOM 0 HB1 ALA A 16 8.154 -0.332 3.554 1.00 0.38 H new ATOM 0 HB2 ALA A 16 9.438 -0.464 4.780 1.00 0.38 H new ATOM 0 HB3 ALA A 16 9.416 0.919 3.660 1.00 0.38 H new ATOM 238 N LEU A 17 10.249 0.561 0.877 1.00 0.31 N ATOM 239 CA LEU A 17 10.036 0.999 -0.495 1.00 0.33 C ATOM 240 C LEU A 17 10.663 0.013 -1.472 1.00 0.32 C ATOM 241 O LEU A 17 10.068 -0.314 -2.497 1.00 0.35 O ATOM 242 CB LEU A 17 10.606 2.401 -0.707 1.00 0.38 C ATOM 243 CG LEU A 17 9.889 3.512 0.067 1.00 0.46 C ATOM 244 CD1 LEU A 17 10.556 4.854 -0.180 1.00 0.92 C ATOM 245 CD2 LEU A 17 8.416 3.567 -0.318 1.00 0.73 C ATOM 0 H LEU A 17 10.840 1.182 1.430 1.00 0.31 H new ATOM 0 HA LEU A 17 8.963 1.035 -0.682 1.00 0.33 H new ATOM 0 HB2 LEU A 17 11.657 2.398 -0.419 1.00 0.38 H new ATOM 0 HB3 LEU A 17 10.568 2.636 -1.771 1.00 0.38 H new ATOM 0 HG LEU A 17 9.958 3.287 1.131 1.00 0.46 H new ATOM 0 HD11 LEU A 17 10.032 5.629 0.379 1.00 0.92 H new ATOM 0 HD12 LEU A 17 11.595 4.810 0.148 1.00 0.92 H new ATOM 0 HD13 LEU A 17 10.521 5.087 -1.244 1.00 0.92 H new ATOM 0 HD21 LEU A 17 7.923 4.362 0.242 1.00 0.73 H new ATOM 0 HD22 LEU A 17 8.326 3.766 -1.386 1.00 0.73 H new ATOM 0 HD23 LEU A 17 7.943 2.613 -0.086 1.00 0.73 H new ATOM 257 N GLN A 18 11.855 -0.480 -1.137 1.00 0.34 N ATOM 258 CA GLN A 18 12.524 -1.488 -1.958 1.00 0.39 C ATOM 259 C GLN A 18 11.666 -2.745 -2.055 1.00 0.33 C ATOM 260 O GLN A 18 11.556 -3.355 -3.120 1.00 0.34 O ATOM 261 CB GLN A 18 13.887 -1.854 -1.364 1.00 0.49 C ATOM 262 CG GLN A 18 14.853 -0.689 -1.255 1.00 1.07 C ATOM 263 CD GLN A 18 16.167 -1.089 -0.614 1.00 1.51 C ATOM 264 OE1 GLN A 18 16.617 -2.228 -0.744 1.00 2.06 O ATOM 265 NE2 GLN A 18 16.785 -0.163 0.099 1.00 2.19 N ATOM 0 H GLN A 18 12.375 -0.199 -0.306 1.00 0.34 H new ATOM 0 HA GLN A 18 12.670 -1.068 -2.953 1.00 0.39 H new ATOM 0 HB2 GLN A 18 13.736 -2.279 -0.372 1.00 0.49 H new ATOM 0 HB3 GLN A 18 14.341 -2.631 -1.978 1.00 0.49 H new ATOM 0 HG2 GLN A 18 15.044 -0.285 -2.249 1.00 1.07 H new ATOM 0 HG3 GLN A 18 14.393 0.108 -0.670 1.00 1.07 H new ATOM 0 HE21 GLN A 18 16.381 0.770 0.183 1.00 2.19 H new ATOM 0 HE22 GLN A 18 17.666 -0.381 0.565 1.00 2.19 H new ATOM 274 N ALA A 19 11.048 -3.114 -0.937 1.00 0.29 N ATOM 275 CA ALA A 19 10.184 -4.282 -0.888 1.00 0.28 C ATOM 276 C ALA A 19 8.937 -4.075 -1.736 1.00 0.26 C ATOM 277 O ALA A 19 8.505 -4.984 -2.436 1.00 0.28 O ATOM 278 CB ALA A 19 9.801 -4.607 0.547 1.00 0.31 C ATOM 0 H ALA A 19 11.132 -2.616 -0.051 1.00 0.29 H new ATOM 0 HA ALA A 19 10.738 -5.126 -1.299 1.00 0.28 H new ATOM 0 HB1 ALA A 19 9.154 -5.484 0.561 1.00 0.31 H new ATOM 0 HB2 ALA A 19 10.701 -4.810 1.127 1.00 0.31 H new ATOM 0 HB3 ALA A 19 9.272 -3.759 0.983 1.00 0.31 H new ATOM 284 N LEU A 20 8.361 -2.876 -1.677 1.00 0.27 N ATOM 285 CA LEU A 20 7.178 -2.551 -2.458 1.00 0.32 C ATOM 286 C LEU A 20 7.498 -2.527 -3.949 1.00 0.33 C ATOM 287 O LEU A 20 6.673 -2.924 -4.779 1.00 0.36 O ATOM 288 CB LEU A 20 6.621 -1.195 -2.027 1.00 0.38 C ATOM 289 CG LEU A 20 5.711 -1.229 -0.797 1.00 0.58 C ATOM 290 CD1 LEU A 20 5.378 0.183 -0.339 1.00 1.03 C ATOM 291 CD2 LEU A 20 4.435 -1.999 -1.106 1.00 0.95 C ATOM 0 H LEU A 20 8.700 -2.112 -1.092 1.00 0.27 H new ATOM 0 HA LEU A 20 6.430 -3.323 -2.278 1.00 0.32 H new ATOM 0 HB2 LEU A 20 7.456 -0.525 -1.824 1.00 0.38 H new ATOM 0 HB3 LEU A 20 6.064 -0.767 -2.860 1.00 0.38 H new ATOM 0 HG LEU A 20 6.240 -1.737 0.010 1.00 0.58 H new ATOM 0 HD11 LEU A 20 4.730 0.138 0.536 1.00 1.03 H new ATOM 0 HD12 LEU A 20 6.298 0.709 -0.083 1.00 1.03 H new ATOM 0 HD13 LEU A 20 4.867 0.715 -1.142 1.00 1.03 H new ATOM 0 HD21 LEU A 20 3.797 -2.015 -0.222 1.00 0.95 H new ATOM 0 HD22 LEU A 20 3.907 -1.513 -1.926 1.00 0.95 H new ATOM 0 HD23 LEU A 20 4.686 -3.021 -1.391 1.00 0.95 H new ATOM 303 N ALA A 21 8.705 -2.071 -4.272 1.00 0.33 N ATOM 304 CA ALA A 21 9.141 -1.934 -5.653 1.00 0.39 C ATOM 305 C ALA A 21 9.116 -3.279 -6.357 1.00 0.38 C ATOM 306 O ALA A 21 8.360 -3.478 -7.303 1.00 0.44 O ATOM 307 CB ALA A 21 10.536 -1.333 -5.720 1.00 0.44 C ATOM 0 H ALA A 21 9.404 -1.788 -3.585 1.00 0.33 H new ATOM 0 HA ALA A 21 8.450 -1.262 -6.161 1.00 0.39 H new ATOM 0 HB1 ALA A 21 10.842 -1.239 -6.762 1.00 0.44 H new ATOM 0 HB2 ALA A 21 10.531 -0.348 -5.254 1.00 0.44 H new ATOM 0 HB3 ALA A 21 11.237 -1.980 -5.193 1.00 0.44 H new ATOM 313 N LYS A 22 9.935 -4.210 -5.876 1.00 0.36 N ATOM 314 CA LYS A 22 10.000 -5.548 -6.454 1.00 0.42 C ATOM 315 C LYS A 22 8.677 -6.286 -6.278 1.00 0.37 C ATOM 316 O LYS A 22 8.341 -7.172 -7.062 1.00 0.47 O ATOM 317 CB LYS A 22 11.142 -6.349 -5.830 1.00 0.53 C ATOM 318 CG LYS A 22 12.521 -5.818 -6.191 1.00 1.22 C ATOM 319 CD LYS A 22 13.621 -6.666 -5.575 1.00 1.84 C ATOM 320 CE LYS A 22 15.000 -6.177 -5.982 1.00 2.65 C ATOM 321 NZ LYS A 22 15.267 -4.788 -5.519 1.00 3.41 N ATOM 0 H LYS A 22 10.563 -4.062 -5.086 1.00 0.36 H new ATOM 0 HA LYS A 22 10.191 -5.442 -7.522 1.00 0.42 H new ATOM 0 HB2 LYS A 22 11.031 -6.342 -4.746 1.00 0.53 H new ATOM 0 HB3 LYS A 22 11.065 -7.388 -6.152 1.00 0.53 H new ATOM 0 HG2 LYS A 22 12.635 -5.804 -7.275 1.00 1.22 H new ATOM 0 HG3 LYS A 22 12.618 -4.788 -5.847 1.00 1.22 H new ATOM 0 HD2 LYS A 22 13.533 -6.644 -4.489 1.00 1.84 H new ATOM 0 HD3 LYS A 22 13.497 -7.704 -5.884 1.00 1.84 H new ATOM 0 HE2 LYS A 22 15.756 -6.846 -5.571 1.00 2.65 H new ATOM 0 HE3 LYS A 22 15.092 -6.220 -7.067 1.00 2.65 H new ATOM 0 HZ1 LYS A 22 16.267 -4.553 -5.684 1.00 3.41 H new ATOM 0 HZ2 LYS A 22 14.664 -4.125 -6.046 1.00 3.41 H new ATOM 0 HZ3 LYS A 22 15.058 -4.714 -4.503 1.00 3.41 H new ATOM 335 N GLN A 23 7.925 -5.905 -5.250 1.00 0.33 N ATOM 336 CA GLN A 23 6.641 -6.522 -4.964 1.00 0.39 C ATOM 337 C GLN A 23 5.669 -6.315 -6.121 1.00 0.40 C ATOM 338 O GLN A 23 4.936 -7.226 -6.501 1.00 0.49 O ATOM 339 CB GLN A 23 6.041 -5.913 -3.699 1.00 0.52 C ATOM 340 CG GLN A 23 5.175 -6.874 -2.915 1.00 0.76 C ATOM 341 CD GLN A 23 5.974 -7.762 -1.979 1.00 0.78 C ATOM 342 OE1 GLN A 23 7.084 -7.250 -1.470 1.00 1.52 O flip ATOM 343 NE2 GLN A 23 5.590 -8.896 -1.707 1.00 1.29 N flip ATOM 0 H GLN A 23 8.188 -5.166 -4.598 1.00 0.33 H new ATOM 0 HA GLN A 23 6.804 -7.590 -4.823 1.00 0.39 H new ATOM 0 HB2 GLN A 23 6.849 -5.559 -3.058 1.00 0.52 H new ATOM 0 HB3 GLN A 23 5.446 -5.042 -3.972 1.00 0.52 H new ATOM 0 HG2 GLN A 23 4.446 -6.308 -2.336 1.00 0.76 H new ATOM 0 HG3 GLN A 23 4.614 -7.499 -3.610 1.00 0.76 H new ATOM 0 HE21 GLN A 23 4.729 -9.256 -2.119 1.00 1.29 H new ATOM 0 HE22 GLN A 23 6.132 -9.479 -1.069 1.00 1.29 H new ATOM 352 N THR A 24 5.669 -5.108 -6.678 1.00 0.38 N ATOM 353 CA THR A 24 4.721 -4.752 -7.727 1.00 0.47 C ATOM 354 C THR A 24 5.438 -4.317 -9.005 1.00 0.48 C ATOM 355 O THR A 24 4.842 -3.658 -9.862 1.00 0.76 O ATOM 356 CB THR A 24 3.786 -3.623 -7.253 1.00 0.54 C ATOM 357 OG1 THR A 24 4.556 -2.539 -6.711 1.00 0.62 O ATOM 358 CG2 THR A 24 2.812 -4.130 -6.199 1.00 0.62 C ATOM 0 H THR A 24 6.314 -4.361 -6.421 1.00 0.38 H new ATOM 0 HA THR A 24 4.131 -5.642 -7.947 1.00 0.47 H new ATOM 0 HB THR A 24 3.218 -3.272 -8.114 1.00 0.54 H new ATOM 0 HG1 THR A 24 5.114 -2.869 -5.976 1.00 0.62 H new ATOM 0 HG21 THR A 24 2.163 -3.314 -5.881 1.00 0.62 H new ATOM 0 HG22 THR A 24 2.206 -4.933 -6.620 1.00 0.62 H new ATOM 0 HG23 THR A 24 3.368 -4.507 -5.341 1.00 0.62 H new ATOM 366 N ASP A 25 6.717 -4.706 -9.110 1.00 0.41 N ATOM 367 CA ASP A 25 7.608 -4.320 -10.220 1.00 0.49 C ATOM 368 C ASP A 25 7.441 -2.850 -10.615 1.00 0.49 C ATOM 369 O ASP A 25 7.465 -2.500 -11.796 1.00 0.72 O ATOM 370 CB ASP A 25 7.453 -5.252 -11.445 1.00 0.68 C ATOM 371 CG ASP A 25 6.066 -5.268 -12.070 1.00 1.29 C ATOM 372 OD1 ASP A 25 5.184 -6.004 -11.573 1.00 2.11 O ATOM 373 OD2 ASP A 25 5.839 -4.515 -13.041 1.00 1.57 O ATOM 0 H ASP A 25 7.170 -5.305 -8.419 1.00 0.41 H new ATOM 0 HA ASP A 25 8.626 -4.440 -9.848 1.00 0.49 H new ATOM 0 HB2 ASP A 25 8.174 -4.951 -12.205 1.00 0.68 H new ATOM 0 HB3 ASP A 25 7.711 -6.267 -11.145 1.00 0.68 H new ATOM 378 N THR A 26 7.325 -1.990 -9.613 1.00 0.34 N ATOM 379 CA THR A 26 7.076 -0.575 -9.837 1.00 0.40 C ATOM 380 C THR A 26 8.368 0.235 -9.762 1.00 0.38 C ATOM 381 O THR A 26 9.419 -0.283 -9.381 1.00 0.40 O ATOM 382 CB THR A 26 6.066 -0.034 -8.808 1.00 0.46 C ATOM 383 OG1 THR A 26 6.344 -0.587 -7.514 1.00 0.76 O ATOM 384 CG2 THR A 26 4.639 -0.372 -9.215 1.00 0.72 C ATOM 0 H THR A 26 7.400 -2.251 -8.630 1.00 0.34 H new ATOM 0 HA THR A 26 6.660 -0.470 -10.839 1.00 0.40 H new ATOM 0 HB THR A 26 6.166 1.051 -8.770 1.00 0.46 H new ATOM 0 HG1 THR A 26 5.663 -1.255 -7.291 1.00 0.76 H new ATOM 0 HG21 THR A 26 3.946 0.021 -8.472 1.00 0.72 H new ATOM 0 HG22 THR A 26 4.422 0.074 -10.185 1.00 0.72 H new ATOM 0 HG23 THR A 26 4.526 -1.454 -9.280 1.00 0.72 H new ATOM 392 N GLN A 27 8.284 1.501 -10.141 1.00 0.41 N ATOM 393 CA GLN A 27 9.432 2.390 -10.120 1.00 0.44 C ATOM 394 C GLN A 27 9.307 3.376 -8.973 1.00 0.46 C ATOM 395 O GLN A 27 8.240 3.942 -8.752 1.00 0.47 O ATOM 396 CB GLN A 27 9.541 3.148 -11.445 1.00 0.50 C ATOM 397 CG GLN A 27 10.653 4.191 -11.481 1.00 1.05 C ATOM 398 CD GLN A 27 12.058 3.600 -11.526 1.00 1.67 C ATOM 399 OE1 GLN A 27 12.240 2.408 -10.981 1.00 2.39 O flip ATOM 400 NE2 GLN A 27 12.973 4.217 -12.064 1.00 2.31 N flip ATOM 0 H GLN A 27 7.423 1.938 -10.470 1.00 0.41 H new ATOM 0 HA GLN A 27 10.332 1.792 -9.980 1.00 0.44 H new ATOM 0 HB2 GLN A 27 9.706 2.430 -12.248 1.00 0.50 H new ATOM 0 HB3 GLN A 27 8.590 3.641 -11.648 1.00 0.50 H new ATOM 0 HG2 GLN A 27 10.510 4.829 -12.353 1.00 1.05 H new ATOM 0 HG3 GLN A 27 10.567 4.829 -10.602 1.00 1.05 H new ATOM 0 HE21 GLN A 27 12.798 5.134 -12.474 1.00 2.31 H new ATOM 0 HE22 GLN A 27 13.909 3.812 -12.101 1.00 2.31 H new ATOM 409 N LEU A 28 10.395 3.584 -8.253 1.00 0.51 N ATOM 410 CA LEU A 28 10.382 4.477 -7.109 1.00 0.55 C ATOM 411 C LEU A 28 11.042 5.805 -7.447 1.00 0.58 C ATOM 412 O LEU A 28 12.135 5.843 -8.015 1.00 0.71 O ATOM 413 CB LEU A 28 11.104 3.830 -5.933 1.00 0.69 C ATOM 414 CG LEU A 28 10.546 2.478 -5.491 1.00 0.78 C ATOM 415 CD1 LEU A 28 11.436 1.864 -4.425 1.00 1.51 C ATOM 416 CD2 LEU A 28 9.119 2.627 -4.980 1.00 1.30 C ATOM 0 H LEU A 28 11.298 3.147 -8.440 1.00 0.51 H new ATOM 0 HA LEU A 28 9.343 4.666 -6.838 1.00 0.55 H new ATOM 0 HB2 LEU A 28 12.154 3.703 -6.197 1.00 0.69 H new ATOM 0 HB3 LEU A 28 11.069 4.514 -5.085 1.00 0.69 H new ATOM 0 HG LEU A 28 10.529 1.812 -6.353 1.00 0.78 H new ATOM 0 HD11 LEU A 28 11.026 0.901 -4.119 1.00 1.51 H new ATOM 0 HD12 LEU A 28 12.439 1.721 -4.827 1.00 1.51 H new ATOM 0 HD13 LEU A 28 11.482 2.529 -3.562 1.00 1.51 H new ATOM 0 HD21 LEU A 28 8.740 1.653 -4.670 1.00 1.30 H new ATOM 0 HD22 LEU A 28 9.106 3.309 -4.129 1.00 1.30 H new ATOM 0 HD23 LEU A 28 8.488 3.026 -5.774 1.00 1.30 H new ATOM 428 N LEU A 29 10.365 6.884 -7.099 1.00 0.53 N ATOM 429 CA LEU A 29 10.883 8.226 -7.312 1.00 0.60 C ATOM 430 C LEU A 29 10.950 8.969 -5.983 1.00 0.63 C ATOM 431 O LEU A 29 9.934 9.441 -5.472 1.00 0.66 O ATOM 432 CB LEU A 29 9.997 8.988 -8.303 1.00 0.65 C ATOM 433 CG LEU A 29 10.472 10.398 -8.663 1.00 1.17 C ATOM 434 CD1 LEU A 29 11.862 10.360 -9.270 1.00 1.90 C ATOM 435 CD2 LEU A 29 9.491 11.052 -9.622 1.00 2.03 C ATOM 0 H LEU A 29 9.444 6.857 -6.662 1.00 0.53 H new ATOM 0 HA LEU A 29 11.887 8.156 -7.731 1.00 0.60 H new ATOM 0 HB2 LEU A 29 9.922 8.404 -9.220 1.00 0.65 H new ATOM 0 HB3 LEU A 29 8.992 9.057 -7.886 1.00 0.65 H new ATOM 0 HG LEU A 29 10.518 10.990 -7.749 1.00 1.17 H new ATOM 0 HD11 LEU A 29 12.179 11.373 -9.518 1.00 1.90 H new ATOM 0 HD12 LEU A 29 12.560 9.927 -8.554 1.00 1.90 H new ATOM 0 HD13 LEU A 29 11.847 9.753 -10.175 1.00 1.90 H new ATOM 0 HD21 LEU A 29 9.839 12.054 -9.871 1.00 2.03 H new ATOM 0 HD22 LEU A 29 9.420 10.456 -10.532 1.00 2.03 H new ATOM 0 HD23 LEU A 29 8.510 11.115 -9.152 1.00 2.03 H new ATOM 447 N TYR A 30 12.146 9.057 -5.424 1.00 0.65 N ATOM 448 CA TYR A 30 12.343 9.702 -4.136 1.00 0.72 C ATOM 449 C TYR A 30 13.826 9.922 -3.876 1.00 0.77 C ATOM 450 O TYR A 30 14.678 9.302 -4.519 1.00 0.82 O ATOM 451 CB TYR A 30 11.734 8.862 -2.999 1.00 0.72 C ATOM 452 CG TYR A 30 12.418 7.528 -2.760 1.00 0.69 C ATOM 453 CD1 TYR A 30 12.042 6.393 -3.468 1.00 0.65 C ATOM 454 CD2 TYR A 30 13.436 7.400 -1.818 1.00 0.80 C ATOM 455 CE1 TYR A 30 12.660 5.175 -3.249 1.00 0.71 C ATOM 456 CE2 TYR A 30 14.058 6.184 -1.595 1.00 0.88 C ATOM 457 CZ TYR A 30 13.665 5.076 -2.313 1.00 0.83 C ATOM 458 OH TYR A 30 14.278 3.863 -2.097 1.00 0.96 O ATOM 0 H TYR A 30 12.999 8.688 -5.844 1.00 0.65 H new ATOM 0 HA TYR A 30 11.837 10.667 -4.163 1.00 0.72 H new ATOM 0 HB2 TYR A 30 11.769 9.443 -2.077 1.00 0.72 H new ATOM 0 HB3 TYR A 30 10.683 8.681 -3.222 1.00 0.72 H new ATOM 0 HD1 TYR A 30 11.253 6.463 -4.202 1.00 0.65 H new ATOM 0 HD2 TYR A 30 13.746 8.266 -1.251 1.00 0.80 H new ATOM 0 HE1 TYR A 30 12.355 4.304 -3.811 1.00 0.71 H new ATOM 0 HE2 TYR A 30 14.847 6.104 -0.862 1.00 0.88 H new ATOM 0 HH TYR A 30 14.966 3.963 -1.406 1.00 0.96 H new ATOM 468 N SER A 31 14.123 10.800 -2.936 1.00 0.85 N ATOM 469 CA SER A 31 15.492 11.051 -2.531 1.00 0.97 C ATOM 470 C SER A 31 15.764 10.339 -1.208 1.00 0.88 C ATOM 471 O SER A 31 15.205 10.698 -0.170 1.00 0.85 O ATOM 472 CB SER A 31 15.713 12.558 -2.402 1.00 1.20 C ATOM 473 OG SER A 31 15.259 13.231 -3.572 1.00 1.78 O ATOM 0 H SER A 31 13.428 11.355 -2.436 1.00 0.85 H new ATOM 0 HA SER A 31 16.185 10.665 -3.279 1.00 0.97 H new ATOM 0 HB2 SER A 31 15.181 12.936 -1.529 1.00 1.20 H new ATOM 0 HB3 SER A 31 16.772 12.764 -2.245 1.00 1.20 H new ATOM 0 HG SER A 31 15.406 14.195 -3.473 1.00 1.78 H new ATOM 479 N PRO A 32 16.617 9.296 -1.247 1.00 0.96 N ATOM 480 CA PRO A 32 16.858 8.393 -0.108 1.00 0.99 C ATOM 481 C PRO A 32 17.265 9.108 1.177 1.00 1.01 C ATOM 482 O PRO A 32 16.846 8.721 2.264 1.00 1.05 O ATOM 483 CB PRO A 32 18.005 7.503 -0.596 1.00 1.23 C ATOM 484 CG PRO A 32 17.903 7.534 -2.079 1.00 1.37 C ATOM 485 CD PRO A 32 17.418 8.913 -2.425 1.00 1.12 C ATOM 0 HA PRO A 32 15.947 7.858 0.159 1.00 0.99 H new ATOM 0 HB2 PRO A 32 18.970 7.880 -0.258 1.00 1.23 H new ATOM 0 HB3 PRO A 32 17.908 6.487 -0.214 1.00 1.23 H new ATOM 0 HG2 PRO A 32 18.869 7.331 -2.542 1.00 1.37 H new ATOM 0 HG3 PRO A 32 17.210 6.774 -2.440 1.00 1.37 H new ATOM 0 HD2 PRO A 32 18.247 9.602 -2.589 1.00 1.12 H new ATOM 0 HD3 PRO A 32 16.819 8.912 -3.336 1.00 1.12 H new ATOM 493 N GLU A 33 18.081 10.140 1.059 1.00 1.09 N ATOM 494 CA GLU A 33 18.561 10.858 2.231 1.00 1.26 C ATOM 495 C GLU A 33 17.488 11.786 2.795 1.00 1.23 C ATOM 496 O GLU A 33 17.571 12.220 3.944 1.00 1.39 O ATOM 497 CB GLU A 33 19.814 11.652 1.881 1.00 1.48 C ATOM 498 CG GLU A 33 20.961 10.775 1.408 1.00 1.99 C ATOM 499 CD GLU A 33 22.148 11.581 0.941 1.00 2.43 C ATOM 500 OE1 GLU A 33 22.192 11.949 -0.251 1.00 2.83 O ATOM 501 OE2 GLU A 33 23.052 11.847 1.765 1.00 2.96 O ATOM 0 H GLU A 33 18.425 10.500 0.169 1.00 1.09 H new ATOM 0 HA GLU A 33 18.804 10.124 2.999 1.00 1.26 H new ATOM 0 HB2 GLU A 33 19.573 12.376 1.103 1.00 1.48 H new ATOM 0 HB3 GLU A 33 20.134 12.219 2.755 1.00 1.48 H new ATOM 0 HG2 GLU A 33 21.270 10.116 2.220 1.00 1.99 H new ATOM 0 HG3 GLU A 33 20.615 10.138 0.594 1.00 1.99 H new ATOM 508 N ASP A 34 16.473 12.070 1.992 1.00 1.12 N ATOM 509 CA ASP A 34 15.452 13.046 2.358 1.00 1.23 C ATOM 510 C ASP A 34 14.286 12.409 3.107 1.00 1.17 C ATOM 511 O ASP A 34 13.338 13.101 3.483 1.00 1.38 O ATOM 512 CB ASP A 34 14.937 13.784 1.120 1.00 1.33 C ATOM 513 CG ASP A 34 15.897 14.852 0.630 1.00 1.71 C ATOM 514 OD1 ASP A 34 15.810 16.001 1.101 1.00 2.14 O ATOM 515 OD2 ASP A 34 16.762 14.541 -0.218 1.00 2.22 O ATOM 0 H ASP A 34 16.333 11.638 1.079 1.00 1.12 H new ATOM 0 HA ASP A 34 15.926 13.761 3.030 1.00 1.23 H new ATOM 0 HB2 ASP A 34 14.762 13.064 0.320 1.00 1.33 H new ATOM 0 HB3 ASP A 34 13.976 14.244 1.350 1.00 1.33 H new ATOM 520 N ILE A 35 14.341 11.097 3.319 1.00 0.97 N ATOM 521 CA ILE A 35 13.284 10.415 4.065 1.00 0.97 C ATOM 522 C ILE A 35 13.704 10.197 5.516 1.00 1.02 C ATOM 523 O ILE A 35 12.964 9.608 6.304 1.00 1.09 O ATOM 524 CB ILE A 35 12.899 9.051 3.443 1.00 0.88 C ATOM 525 CG1 ILE A 35 14.110 8.116 3.399 1.00 0.78 C ATOM 526 CG2 ILE A 35 12.311 9.239 2.049 1.00 0.95 C ATOM 527 CD1 ILE A 35 13.796 6.732 2.870 1.00 0.82 C ATOM 0 H ILE A 35 15.093 10.491 2.991 1.00 0.97 H new ATOM 0 HA ILE A 35 12.410 11.065 4.020 1.00 0.97 H new ATOM 0 HB ILE A 35 12.137 8.592 4.073 1.00 0.88 H new ATOM 0 HG12 ILE A 35 14.882 8.566 2.775 1.00 0.78 H new ATOM 0 HG13 ILE A 35 14.524 8.025 4.403 1.00 0.78 H new ATOM 0 HG21 ILE A 35 12.048 8.267 1.631 1.00 0.95 H new ATOM 0 HG22 ILE A 35 11.418 9.861 2.112 1.00 0.95 H new ATOM 0 HG23 ILE A 35 13.046 9.723 1.406 1.00 0.95 H new ATOM 0 HD11 ILE A 35 14.704 6.128 2.869 1.00 0.82 H new ATOM 0 HD12 ILE A 35 13.047 6.261 3.506 1.00 0.82 H new ATOM 0 HD13 ILE A 35 13.411 6.810 1.853 1.00 0.82 H new ATOM 539 N GLY A 36 14.912 10.652 5.845 1.00 1.08 N ATOM 540 CA GLY A 36 15.391 10.640 7.222 1.00 1.25 C ATOM 541 C GLY A 36 15.442 9.256 7.848 1.00 1.17 C ATOM 542 O GLY A 36 15.466 9.131 9.075 1.00 1.40 O ATOM 0 H GLY A 36 15.577 11.034 5.173 1.00 1.08 H new ATOM 0 HA2 GLY A 36 16.389 11.078 7.252 1.00 1.25 H new ATOM 0 HA3 GLY A 36 14.745 11.277 7.826 1.00 1.25 H new ATOM 546 N GLY A 37 15.456 8.223 7.014 1.00 0.97 N ATOM 547 CA GLY A 37 15.503 6.857 7.509 1.00 0.96 C ATOM 548 C GLY A 37 14.370 6.543 8.471 1.00 0.88 C ATOM 549 O GLY A 37 14.563 5.821 9.447 1.00 1.05 O ATOM 0 H GLY A 37 15.436 8.306 5.998 1.00 0.97 H new ATOM 0 HA2 GLY A 37 15.460 6.168 6.666 1.00 0.96 H new ATOM 0 HA3 GLY A 37 16.456 6.689 8.010 1.00 0.96 H new ATOM 553 N LEU A 38 13.188 7.081 8.190 1.00 0.77 N ATOM 554 CA LEU A 38 12.023 6.857 9.039 1.00 0.83 C ATOM 555 C LEU A 38 11.590 5.402 8.937 1.00 0.66 C ATOM 556 O LEU A 38 11.393 4.898 7.839 1.00 0.67 O ATOM 557 CB LEU A 38 10.868 7.765 8.613 1.00 1.06 C ATOM 558 CG LEU A 38 11.126 9.267 8.731 1.00 1.05 C ATOM 559 CD1 LEU A 38 9.982 10.048 8.104 1.00 1.72 C ATOM 560 CD2 LEU A 38 11.308 9.663 10.188 1.00 1.20 C ATOM 0 H LEU A 38 13.011 7.676 7.380 1.00 0.77 H new ATOM 0 HA LEU A 38 12.291 7.089 10.070 1.00 0.83 H new ATOM 0 HB2 LEU A 38 10.616 7.539 7.577 1.00 1.06 H new ATOM 0 HB3 LEU A 38 9.994 7.517 9.215 1.00 1.06 H new ATOM 0 HG LEU A 38 12.044 9.506 8.194 1.00 1.05 H new ATOM 0 HD11 LEU A 38 10.178 11.116 8.195 1.00 1.72 H new ATOM 0 HD12 LEU A 38 9.895 9.783 7.050 1.00 1.72 H new ATOM 0 HD13 LEU A 38 9.051 9.805 8.617 1.00 1.72 H new ATOM 0 HD21 LEU A 38 11.491 10.736 10.253 1.00 1.20 H new ATOM 0 HD22 LEU A 38 10.407 9.414 10.748 1.00 1.20 H new ATOM 0 HD23 LEU A 38 12.157 9.124 10.608 1.00 1.20 H new ATOM 572 N ARG A 39 11.459 4.724 10.066 1.00 0.68 N ATOM 573 CA ARG A 39 11.050 3.324 10.055 1.00 0.59 C ATOM 574 C ARG A 39 9.545 3.194 9.896 1.00 0.52 C ATOM 575 O ARG A 39 8.767 3.943 10.493 1.00 0.62 O ATOM 576 CB ARG A 39 11.508 2.590 11.318 1.00 0.66 C ATOM 577 CG ARG A 39 11.152 3.299 12.610 1.00 0.76 C ATOM 578 CD ARG A 39 11.700 2.556 13.815 1.00 1.12 C ATOM 579 NE ARG A 39 13.147 2.360 13.725 1.00 2.00 N ATOM 580 CZ ARG A 39 13.898 1.877 14.711 1.00 2.70 C ATOM 581 NH1 ARG A 39 13.353 1.523 15.867 1.00 2.71 N ATOM 582 NH2 ARG A 39 15.205 1.742 14.536 1.00 3.77 N ATOM 0 H ARG A 39 11.627 5.113 10.994 1.00 0.68 H new ATOM 0 HA ARG A 39 11.535 2.859 9.197 1.00 0.59 H new ATOM 0 HB2 ARG A 39 11.064 1.595 11.328 1.00 0.66 H new ATOM 0 HB3 ARG A 39 12.589 2.456 11.276 1.00 0.66 H new ATOM 0 HG2 ARG A 39 11.551 4.313 12.593 1.00 0.76 H new ATOM 0 HG3 ARG A 39 10.069 3.384 12.694 1.00 0.76 H new ATOM 0 HD2 ARG A 39 11.465 3.113 14.722 1.00 1.12 H new ATOM 0 HD3 ARG A 39 11.207 1.587 13.899 1.00 1.12 H new ATOM 0 HE ARG A 39 13.609 2.610 12.851 1.00 2.00 H new ATOM 0 HH11 ARG A 39 12.347 1.620 16.008 1.00 2.71 H new ATOM 0 HH12 ARG A 39 13.939 1.154 16.615 1.00 2.71 H new ATOM 0 HH21 ARG A 39 15.631 2.008 13.648 1.00 3.77 H new ATOM 0 HH22 ARG A 39 15.785 1.372 15.289 1.00 3.77 H new ATOM 596 N SER A 40 9.149 2.245 9.070 1.00 0.45 N ATOM 597 CA SER A 40 7.751 1.990 8.807 1.00 0.50 C ATOM 598 C SER A 40 7.212 0.923 9.751 1.00 0.49 C ATOM 599 O SER A 40 7.974 0.200 10.393 1.00 0.48 O ATOM 600 CB SER A 40 7.583 1.550 7.351 1.00 0.56 C ATOM 601 OG SER A 40 8.561 0.583 6.996 1.00 0.50 O ATOM 0 H SER A 40 9.788 1.632 8.564 1.00 0.45 H new ATOM 0 HA SER A 40 7.183 2.905 8.976 1.00 0.50 H new ATOM 0 HB2 SER A 40 6.586 1.134 7.206 1.00 0.56 H new ATOM 0 HB3 SER A 40 7.667 2.415 6.694 1.00 0.56 H new ATOM 0 HG SER A 40 8.259 -0.306 7.277 1.00 0.50 H new ATOM 607 N SER A 41 5.896 0.848 9.843 1.00 0.59 N ATOM 608 CA SER A 41 5.248 -0.208 10.593 1.00 0.68 C ATOM 609 C SER A 41 5.058 -1.410 9.680 1.00 0.65 C ATOM 610 O SER A 41 4.761 -1.245 8.495 1.00 0.66 O ATOM 611 CB SER A 41 3.896 0.284 11.109 1.00 0.85 C ATOM 612 OG SER A 41 4.023 1.552 11.727 1.00 1.54 O ATOM 0 H SER A 41 5.255 1.510 9.405 1.00 0.59 H new ATOM 0 HA SER A 41 5.863 -0.493 11.447 1.00 0.68 H new ATOM 0 HB2 SER A 41 3.188 0.347 10.283 1.00 0.85 H new ATOM 0 HB3 SER A 41 3.491 -0.434 11.822 1.00 0.85 H new ATOM 0 HG SER A 41 3.146 1.849 12.048 1.00 1.54 H new ATOM 618 N ALA A 42 5.267 -2.604 10.225 1.00 0.69 N ATOM 619 CA ALA A 42 5.149 -3.837 9.459 1.00 0.72 C ATOM 620 C ALA A 42 3.764 -3.961 8.846 1.00 0.63 C ATOM 621 O ALA A 42 2.802 -4.318 9.527 1.00 0.66 O ATOM 622 CB ALA A 42 5.448 -5.039 10.338 1.00 0.84 C ATOM 0 H ALA A 42 5.521 -2.743 11.203 1.00 0.69 H new ATOM 0 HA ALA A 42 5.879 -3.807 8.650 1.00 0.72 H new ATOM 0 HB1 ALA A 42 5.355 -5.952 9.750 1.00 0.84 H new ATOM 0 HB2 ALA A 42 6.463 -4.961 10.729 1.00 0.84 H new ATOM 0 HB3 ALA A 42 4.741 -5.068 11.167 1.00 0.84 H new ATOM 628 N LEU A 43 3.668 -3.657 7.564 1.00 0.59 N ATOM 629 CA LEU A 43 2.400 -3.699 6.863 1.00 0.54 C ATOM 630 C LEU A 43 2.401 -4.857 5.882 1.00 0.45 C ATOM 631 O LEU A 43 2.961 -4.760 4.790 1.00 0.51 O ATOM 632 CB LEU A 43 2.163 -2.388 6.113 1.00 0.65 C ATOM 633 CG LEU A 43 0.736 -2.173 5.605 1.00 0.83 C ATOM 634 CD1 LEU A 43 -0.220 -1.991 6.773 1.00 1.42 C ATOM 635 CD2 LEU A 43 0.673 -0.972 4.676 1.00 1.42 C ATOM 0 H LEU A 43 4.460 -3.377 6.985 1.00 0.59 H new ATOM 0 HA LEU A 43 1.599 -3.836 7.589 1.00 0.54 H new ATOM 0 HB2 LEU A 43 2.425 -1.560 6.771 1.00 0.65 H new ATOM 0 HB3 LEU A 43 2.844 -2.347 5.263 1.00 0.65 H new ATOM 0 HG LEU A 43 0.434 -3.057 5.043 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -1.231 -1.839 6.395 1.00 1.42 H new ATOM 0 HD12 LEU A 43 -0.198 -2.880 7.403 1.00 1.42 H new ATOM 0 HD13 LEU A 43 0.083 -1.123 7.359 1.00 1.42 H new ATOM 0 HD21 LEU A 43 -0.350 -0.836 4.326 1.00 1.42 H new ATOM 0 HD22 LEU A 43 0.994 -0.079 5.213 1.00 1.42 H new ATOM 0 HD23 LEU A 43 1.330 -1.138 3.822 1.00 1.42 H new ATOM 647 N LYS A 44 1.801 -5.961 6.272 1.00 0.43 N ATOM 648 CA LYS A 44 1.764 -7.118 5.409 1.00 0.43 C ATOM 649 C LYS A 44 0.386 -7.762 5.414 1.00 0.41 C ATOM 650 O LYS A 44 -0.150 -8.123 6.465 1.00 0.50 O ATOM 651 CB LYS A 44 2.849 -8.121 5.801 1.00 0.61 C ATOM 652 CG LYS A 44 2.745 -8.650 7.221 1.00 0.88 C ATOM 653 CD LYS A 44 3.697 -9.813 7.424 1.00 1.15 C ATOM 654 CE LYS A 44 3.348 -10.966 6.492 1.00 1.77 C ATOM 655 NZ LYS A 44 4.456 -11.946 6.373 1.00 2.43 N ATOM 0 H LYS A 44 1.337 -6.080 7.172 1.00 0.43 H new ATOM 0 HA LYS A 44 1.967 -6.787 4.390 1.00 0.43 H new ATOM 0 HB2 LYS A 44 2.811 -8.964 5.111 1.00 0.61 H new ATOM 0 HB3 LYS A 44 3.823 -7.649 5.675 1.00 0.61 H new ATOM 0 HG2 LYS A 44 2.976 -7.855 7.930 1.00 0.88 H new ATOM 0 HG3 LYS A 44 1.723 -8.969 7.423 1.00 0.88 H new ATOM 0 HD2 LYS A 44 4.721 -9.487 7.240 1.00 1.15 H new ATOM 0 HD3 LYS A 44 3.651 -10.150 8.460 1.00 1.15 H new ATOM 0 HE2 LYS A 44 2.456 -11.472 6.861 1.00 1.77 H new ATOM 0 HE3 LYS A 44 3.106 -10.572 5.505 1.00 1.77 H new ATOM 0 HZ1 LYS A 44 4.139 -12.762 5.812 1.00 2.43 H new ATOM 0 HZ2 LYS A 44 5.268 -11.497 5.903 1.00 2.43 H new ATOM 0 HZ3 LYS A 44 4.739 -12.267 7.321 1.00 2.43 H new ATOM 669 N GLY A 45 -0.189 -7.869 4.232 1.00 0.37 N ATOM 670 CA GLY A 45 -1.500 -8.462 4.079 1.00 0.37 C ATOM 671 C GLY A 45 -1.976 -8.366 2.647 1.00 0.33 C ATOM 672 O GLY A 45 -1.179 -8.091 1.748 1.00 0.34 O ATOM 0 H GLY A 45 0.235 -7.551 3.361 1.00 0.37 H new ATOM 0 HA2 GLY A 45 -1.468 -9.507 4.386 1.00 0.37 H new ATOM 0 HA3 GLY A 45 -2.209 -7.959 4.736 1.00 0.37 H new ATOM 676 N ARG A 46 -3.267 -8.560 2.430 1.00 0.35 N ATOM 677 CA ARG A 46 -3.827 -8.496 1.089 1.00 0.36 C ATOM 678 C ARG A 46 -4.395 -7.103 0.843 1.00 0.34 C ATOM 679 O ARG A 46 -5.520 -6.801 1.240 1.00 0.48 O ATOM 680 CB ARG A 46 -4.919 -9.553 0.912 1.00 0.49 C ATOM 681 CG ARG A 46 -5.191 -9.915 -0.538 1.00 0.97 C ATOM 682 CD ARG A 46 -6.424 -10.795 -0.670 1.00 1.13 C ATOM 683 NE ARG A 46 -7.654 -10.035 -0.469 1.00 1.77 N ATOM 684 CZ ARG A 46 -8.700 -10.464 0.230 1.00 2.26 C ATOM 685 NH1 ARG A 46 -8.650 -11.609 0.898 1.00 2.15 N ATOM 686 NH2 ARG A 46 -9.791 -9.722 0.283 1.00 3.27 N ATOM 0 H ARG A 46 -3.946 -8.763 3.164 1.00 0.35 H new ATOM 0 HA ARG A 46 -3.038 -8.697 0.364 1.00 0.36 H new ATOM 0 HB2 ARG A 46 -4.631 -10.454 1.454 1.00 0.49 H new ATOM 0 HB3 ARG A 46 -5.841 -9.189 1.365 1.00 0.49 H new ATOM 0 HG2 ARG A 46 -5.328 -9.005 -1.122 1.00 0.97 H new ATOM 0 HG3 ARG A 46 -4.327 -10.433 -0.953 1.00 0.97 H new ATOM 0 HD2 ARG A 46 -6.438 -11.256 -1.658 1.00 1.13 H new ATOM 0 HD3 ARG A 46 -6.373 -11.604 0.058 1.00 1.13 H new ATOM 0 HE ARG A 46 -7.715 -9.110 -0.895 1.00 1.77 H new ATOM 0 HH11 ARG A 46 -7.801 -12.173 0.880 1.00 2.15 H new ATOM 0 HH12 ARG A 46 -9.461 -11.925 1.430 1.00 2.15 H new ATOM 0 HH21 ARG A 46 -9.825 -8.829 -0.209 1.00 3.27 H new ATOM 0 HH22 ARG A 46 -10.600 -10.041 0.816 1.00 3.27 H new ATOM 700 N HIS A 47 -3.606 -6.244 0.217 1.00 0.32 N ATOM 701 CA HIS A 47 -3.996 -4.851 0.030 1.00 0.45 C ATOM 702 C HIS A 47 -3.631 -4.353 -1.358 1.00 0.43 C ATOM 703 O HIS A 47 -2.826 -4.966 -2.059 1.00 0.46 O ATOM 704 CB HIS A 47 -3.323 -3.955 1.081 1.00 0.68 C ATOM 705 CG HIS A 47 -3.960 -4.012 2.437 1.00 1.01 C ATOM 706 ND1 HIS A 47 -4.801 -3.031 2.915 1.00 1.79 N ATOM 707 CD2 HIS A 47 -3.869 -4.938 3.420 1.00 1.21 C ATOM 708 CE1 HIS A 47 -5.203 -3.353 4.132 1.00 1.98 C ATOM 709 NE2 HIS A 47 -4.652 -4.506 4.463 1.00 1.57 N ATOM 0 H HIS A 47 -2.693 -6.484 -0.170 1.00 0.32 H new ATOM 0 HA HIS A 47 -5.079 -4.801 0.146 1.00 0.45 H new ATOM 0 HB2 HIS A 47 -2.276 -4.244 1.172 1.00 0.68 H new ATOM 0 HB3 HIS A 47 -3.340 -2.924 0.727 1.00 0.68 H new ATOM 0 HD2 HIS A 47 -3.288 -5.848 3.390 1.00 1.21 H new ATOM 0 HE1 HIS A 47 -5.870 -2.771 4.751 1.00 1.98 H new ATOM 0 HE2 HIS A 47 -4.786 -4.996 5.348 1.00 1.57 H new ATOM 718 N ASP A 48 -4.246 -3.240 -1.740 1.00 0.47 N ATOM 719 CA ASP A 48 -3.903 -2.545 -2.976 1.00 0.55 C ATOM 720 C ASP A 48 -2.632 -1.725 -2.758 1.00 0.48 C ATOM 721 O ASP A 48 -2.333 -1.354 -1.620 1.00 0.44 O ATOM 722 CB ASP A 48 -5.066 -1.632 -3.405 1.00 0.70 C ATOM 723 CG ASP A 48 -4.794 -0.832 -4.670 1.00 1.20 C ATOM 724 OD1 ASP A 48 -4.068 0.180 -4.592 1.00 1.86 O ATOM 725 OD2 ASP A 48 -5.292 -1.220 -5.751 1.00 1.80 O ATOM 0 H ASP A 48 -4.992 -2.795 -1.206 1.00 0.47 H new ATOM 0 HA ASP A 48 -3.726 -3.273 -3.768 1.00 0.55 H new ATOM 0 HB2 ASP A 48 -5.956 -2.243 -3.559 1.00 0.70 H new ATOM 0 HB3 ASP A 48 -5.290 -0.941 -2.592 1.00 0.70 H new ATOM 730 N LEU A 49 -1.890 -1.446 -3.821 1.00 0.50 N ATOM 731 CA LEU A 49 -0.629 -0.712 -3.700 1.00 0.51 C ATOM 732 C LEU A 49 -0.855 0.640 -3.020 1.00 0.42 C ATOM 733 O LEU A 49 -0.145 1.006 -2.074 1.00 0.43 O ATOM 734 CB LEU A 49 0.011 -0.507 -5.077 1.00 0.61 C ATOM 735 CG LEU A 49 1.359 0.219 -5.071 1.00 0.73 C ATOM 736 CD1 LEU A 49 2.399 -0.580 -4.298 1.00 1.16 C ATOM 737 CD2 LEU A 49 1.833 0.477 -6.494 1.00 1.18 C ATOM 0 H LEU A 49 -2.134 -1.714 -4.774 1.00 0.50 H new ATOM 0 HA LEU A 49 0.049 -1.304 -3.085 1.00 0.51 H new ATOM 0 HB2 LEU A 49 0.144 -1.482 -5.546 1.00 0.61 H new ATOM 0 HB3 LEU A 49 -0.683 0.055 -5.702 1.00 0.61 H new ATOM 0 HG LEU A 49 1.227 1.179 -4.572 1.00 0.73 H new ATOM 0 HD11 LEU A 49 3.349 -0.045 -4.307 1.00 1.16 H new ATOM 0 HD12 LEU A 49 2.066 -0.711 -3.268 1.00 1.16 H new ATOM 0 HD13 LEU A 49 2.528 -1.557 -4.765 1.00 1.16 H new ATOM 0 HD21 LEU A 49 2.792 0.994 -6.470 1.00 1.18 H new ATOM 0 HD22 LEU A 49 1.945 -0.472 -7.018 1.00 1.18 H new ATOM 0 HD23 LEU A 49 1.101 1.095 -7.015 1.00 1.18 H new ATOM 749 N GLN A 50 -1.868 1.361 -3.489 1.00 0.41 N ATOM 750 CA GLN A 50 -2.213 2.669 -2.947 1.00 0.42 C ATOM 751 C GLN A 50 -2.626 2.553 -1.487 1.00 0.39 C ATOM 752 O GLN A 50 -2.346 3.437 -0.680 1.00 0.41 O ATOM 753 CB GLN A 50 -3.345 3.290 -3.765 1.00 0.52 C ATOM 754 CG GLN A 50 -2.951 3.623 -5.195 1.00 1.21 C ATOM 755 CD GLN A 50 -4.153 3.854 -6.090 1.00 1.67 C ATOM 756 OE1 GLN A 50 -4.108 4.655 -7.021 1.00 2.15 O ATOM 757 NE2 GLN A 50 -5.227 3.126 -5.827 1.00 2.39 N ATOM 0 H GLN A 50 -2.471 1.056 -4.253 1.00 0.41 H new ATOM 0 HA GLN A 50 -1.335 3.312 -3.006 1.00 0.42 H new ATOM 0 HB2 GLN A 50 -4.190 2.602 -3.781 1.00 0.52 H new ATOM 0 HB3 GLN A 50 -3.684 4.200 -3.269 1.00 0.52 H new ATOM 0 HG2 GLN A 50 -2.324 4.514 -5.197 1.00 1.21 H new ATOM 0 HG3 GLN A 50 -2.350 2.809 -5.602 1.00 1.21 H new ATOM 0 HE21 GLN A 50 -5.221 2.473 -5.044 1.00 2.39 H new ATOM 0 HE22 GLN A 50 -6.060 3.218 -6.408 1.00 2.39 H new ATOM 766 N SER A 51 -3.284 1.448 -1.159 1.00 0.41 N ATOM 767 CA SER A 51 -3.708 1.187 0.206 1.00 0.46 C ATOM 768 C SER A 51 -2.489 1.101 1.119 1.00 0.41 C ATOM 769 O SER A 51 -2.457 1.718 2.184 1.00 0.43 O ATOM 770 CB SER A 51 -4.525 -0.113 0.267 1.00 0.57 C ATOM 771 OG SER A 51 -4.969 -0.398 1.586 1.00 1.33 O ATOM 0 H SER A 51 -3.535 0.717 -1.825 1.00 0.41 H new ATOM 0 HA SER A 51 -4.342 2.006 0.547 1.00 0.46 H new ATOM 0 HB2 SER A 51 -5.386 -0.032 -0.396 1.00 0.57 H new ATOM 0 HB3 SER A 51 -3.918 -0.941 -0.099 1.00 0.57 H new ATOM 0 HG SER A 51 -4.803 -1.342 1.790 1.00 1.33 H new ATOM 777 N SER A 52 -1.480 0.357 0.676 1.00 0.40 N ATOM 778 CA SER A 52 -0.246 0.208 1.433 1.00 0.43 C ATOM 779 C SER A 52 0.433 1.562 1.628 1.00 0.41 C ATOM 780 O SER A 52 0.883 1.891 2.726 1.00 0.45 O ATOM 781 CB SER A 52 0.699 -0.761 0.714 1.00 0.49 C ATOM 782 OG SER A 52 1.874 -1.002 1.470 1.00 1.21 O ATOM 0 H SER A 52 -1.495 -0.153 -0.207 1.00 0.40 H new ATOM 0 HA SER A 52 -0.489 -0.198 2.415 1.00 0.43 H new ATOM 0 HB2 SER A 52 0.184 -1.704 0.531 1.00 0.49 H new ATOM 0 HB3 SER A 52 0.970 -0.351 -0.259 1.00 0.49 H new ATOM 0 HG SER A 52 2.205 -1.905 1.281 1.00 1.21 H new ATOM 788 N LEU A 53 0.492 2.348 0.559 1.00 0.39 N ATOM 789 CA LEU A 53 1.131 3.658 0.600 1.00 0.41 C ATOM 790 C LEU A 53 0.401 4.595 1.555 1.00 0.40 C ATOM 791 O LEU A 53 1.026 5.311 2.334 1.00 0.46 O ATOM 792 CB LEU A 53 1.169 4.270 -0.803 1.00 0.44 C ATOM 793 CG LEU A 53 1.946 3.462 -1.842 1.00 0.51 C ATOM 794 CD1 LEU A 53 1.843 4.115 -3.213 1.00 0.70 C ATOM 795 CD2 LEU A 53 3.404 3.325 -1.425 1.00 0.56 C ATOM 0 H LEU A 53 0.103 2.099 -0.351 1.00 0.39 H new ATOM 0 HA LEU A 53 2.150 3.525 0.963 1.00 0.41 H new ATOM 0 HB2 LEU A 53 0.145 4.396 -1.155 1.00 0.44 H new ATOM 0 HB3 LEU A 53 1.608 5.265 -0.737 1.00 0.44 H new ATOM 0 HG LEU A 53 1.508 2.466 -1.903 1.00 0.51 H new ATOM 0 HD11 LEU A 53 2.402 3.526 -3.940 1.00 0.70 H new ATOM 0 HD12 LEU A 53 0.797 4.165 -3.515 1.00 0.70 H new ATOM 0 HD13 LEU A 53 2.256 5.123 -3.168 1.00 0.70 H new ATOM 0 HD21 LEU A 53 3.944 2.747 -2.175 1.00 0.56 H new ATOM 0 HD22 LEU A 53 3.852 4.315 -1.338 1.00 0.56 H new ATOM 0 HD23 LEU A 53 3.461 2.815 -0.463 1.00 0.56 H new ATOM 807 N ARG A 54 -0.924 4.572 1.495 1.00 0.38 N ATOM 808 CA ARG A 54 -1.745 5.466 2.306 1.00 0.43 C ATOM 809 C ARG A 54 -1.623 5.142 3.791 1.00 0.42 C ATOM 810 O ARG A 54 -1.486 6.041 4.616 1.00 0.48 O ATOM 811 CB ARG A 54 -3.208 5.386 1.864 1.00 0.51 C ATOM 812 CG ARG A 54 -4.122 6.375 2.570 1.00 1.10 C ATOM 813 CD ARG A 54 -5.505 6.399 1.936 1.00 1.31 C ATOM 814 NE ARG A 54 -5.446 6.783 0.526 1.00 1.87 N ATOM 815 CZ ARG A 54 -6.450 6.623 -0.339 1.00 2.48 C ATOM 816 NH1 ARG A 54 -7.610 6.120 0.065 1.00 2.70 N ATOM 817 NH2 ARG A 54 -6.294 6.984 -1.607 1.00 3.38 N ATOM 0 H ARG A 54 -1.455 3.943 0.893 1.00 0.38 H new ATOM 0 HA ARG A 54 -1.382 6.483 2.156 1.00 0.43 H new ATOM 0 HB2 ARG A 54 -3.262 5.560 0.789 1.00 0.51 H new ATOM 0 HB3 ARG A 54 -3.576 4.376 2.042 1.00 0.51 H new ATOM 0 HG2 ARG A 54 -4.207 6.107 3.623 1.00 1.10 H new ATOM 0 HG3 ARG A 54 -3.683 7.372 2.529 1.00 1.10 H new ATOM 0 HD2 ARG A 54 -5.964 5.415 2.026 1.00 1.31 H new ATOM 0 HD3 ARG A 54 -6.142 7.099 2.478 1.00 1.31 H new ATOM 0 HE ARG A 54 -4.581 7.200 0.181 1.00 1.87 H new ATOM 0 HH11 ARG A 54 -7.738 5.853 1.041 1.00 2.70 H new ATOM 0 HH12 ARG A 54 -8.373 6.000 -0.601 1.00 2.70 H new ATOM 0 HH21 ARG A 54 -5.408 7.383 -1.918 1.00 3.38 H new ATOM 0 HH22 ARG A 54 -7.060 6.863 -2.270 1.00 3.38 H new ATOM 831 N ILE A 55 -1.659 3.859 4.130 1.00 0.42 N ATOM 832 CA ILE A 55 -1.559 3.443 5.524 1.00 0.47 C ATOM 833 C ILE A 55 -0.202 3.828 6.106 1.00 0.49 C ATOM 834 O ILE A 55 -0.118 4.357 7.215 1.00 0.59 O ATOM 835 CB ILE A 55 -1.777 1.921 5.678 1.00 0.56 C ATOM 836 CG1 ILE A 55 -3.172 1.530 5.180 1.00 0.59 C ATOM 837 CG2 ILE A 55 -1.597 1.500 7.131 1.00 0.66 C ATOM 838 CD1 ILE A 55 -3.432 0.039 5.201 1.00 1.24 C ATOM 0 H ILE A 55 -1.756 3.093 3.464 1.00 0.42 H new ATOM 0 HA ILE A 55 -2.345 3.961 6.073 1.00 0.47 H new ATOM 0 HB ILE A 55 -1.033 1.403 5.073 1.00 0.56 H new ATOM 0 HG12 ILE A 55 -3.920 2.029 5.796 1.00 0.59 H new ATOM 0 HG13 ILE A 55 -3.300 1.898 4.162 1.00 0.59 H new ATOM 0 HG21 ILE A 55 -1.754 0.425 7.221 1.00 0.66 H new ATOM 0 HG22 ILE A 55 -0.588 1.748 7.459 1.00 0.66 H new ATOM 0 HG23 ILE A 55 -2.320 2.026 7.754 1.00 0.66 H new ATOM 0 HD11 ILE A 55 -4.439 -0.160 4.835 1.00 1.24 H new ATOM 0 HD12 ILE A 55 -2.707 -0.466 4.562 1.00 1.24 H new ATOM 0 HD13 ILE A 55 -3.337 -0.333 6.221 1.00 1.24 H new ATOM 850 N LEU A 56 0.854 3.582 5.343 1.00 0.45 N ATOM 851 CA LEU A 56 2.208 3.864 5.803 1.00 0.52 C ATOM 852 C LEU A 56 2.482 5.366 5.880 1.00 0.53 C ATOM 853 O LEU A 56 2.915 5.868 6.918 1.00 0.65 O ATOM 854 CB LEU A 56 3.236 3.186 4.890 1.00 0.57 C ATOM 855 CG LEU A 56 3.277 1.656 4.971 1.00 0.75 C ATOM 856 CD1 LEU A 56 4.283 1.102 3.974 1.00 1.04 C ATOM 857 CD2 LEU A 56 3.621 1.208 6.387 1.00 1.63 C ATOM 0 H LEU A 56 0.800 3.188 4.404 1.00 0.45 H new ATOM 0 HA LEU A 56 2.301 3.458 6.810 1.00 0.52 H new ATOM 0 HB2 LEU A 56 3.027 3.473 3.859 1.00 0.57 H new ATOM 0 HB3 LEU A 56 4.225 3.573 5.134 1.00 0.57 H new ATOM 0 HG LEU A 56 2.291 1.266 4.718 1.00 0.75 H new ATOM 0 HD11 LEU A 56 4.302 0.014 4.042 1.00 1.04 H new ATOM 0 HD12 LEU A 56 3.996 1.397 2.965 1.00 1.04 H new ATOM 0 HD13 LEU A 56 5.274 1.497 4.199 1.00 1.04 H new ATOM 0 HD21 LEU A 56 3.646 0.119 6.428 1.00 1.63 H new ATOM 0 HD22 LEU A 56 4.597 1.604 6.667 1.00 1.63 H new ATOM 0 HD23 LEU A 56 2.866 1.580 7.080 1.00 1.63 H new ATOM 869 N LEU A 57 2.210 6.084 4.796 1.00 0.51 N ATOM 870 CA LEU A 57 2.523 7.513 4.728 1.00 0.63 C ATOM 871 C LEU A 57 1.318 8.369 5.107 1.00 0.72 C ATOM 872 O LEU A 57 1.225 9.530 4.710 1.00 1.16 O ATOM 873 CB LEU A 57 3.016 7.907 3.327 1.00 0.80 C ATOM 874 CG LEU A 57 4.441 7.460 2.961 1.00 1.29 C ATOM 875 CD1 LEU A 57 4.501 5.967 2.676 1.00 1.68 C ATOM 876 CD2 LEU A 57 4.953 8.251 1.768 1.00 2.17 C ATOM 0 H LEU A 57 1.776 5.705 3.954 1.00 0.51 H new ATOM 0 HA LEU A 57 3.320 7.698 5.448 1.00 0.63 H new ATOM 0 HB2 LEU A 57 2.327 7.492 2.591 1.00 0.80 H new ATOM 0 HB3 LEU A 57 2.963 8.992 3.237 1.00 0.80 H new ATOM 0 HG LEU A 57 5.084 7.659 3.818 1.00 1.29 H new ATOM 0 HD11 LEU A 57 5.523 5.686 2.421 1.00 1.68 H new ATOM 0 HD12 LEU A 57 4.183 5.415 3.560 1.00 1.68 H new ATOM 0 HD13 LEU A 57 3.840 5.729 1.842 1.00 1.68 H new ATOM 0 HD21 LEU A 57 5.963 7.924 1.521 1.00 2.17 H new ATOM 0 HD22 LEU A 57 4.298 8.085 0.913 1.00 2.17 H new ATOM 0 HD23 LEU A 57 4.966 9.313 2.014 1.00 2.17 H new ATOM 888 N GLN A 58 0.399 7.782 5.864 1.00 0.61 N ATOM 889 CA GLN A 58 -0.779 8.490 6.357 1.00 0.79 C ATOM 890 C GLN A 58 -0.397 9.809 7.028 1.00 1.05 C ATOM 891 O GLN A 58 -0.885 10.877 6.650 1.00 2.03 O ATOM 892 CB GLN A 58 -1.537 7.609 7.349 1.00 0.90 C ATOM 893 CG GLN A 58 -2.884 8.174 7.766 1.00 1.29 C ATOM 894 CD GLN A 58 -3.579 7.306 8.792 1.00 1.60 C ATOM 895 OE1 GLN A 58 -3.309 6.010 8.752 1.00 2.30 O flip ATOM 896 NE2 GLN A 58 -4.351 7.794 9.618 1.00 1.85 N flip ATOM 0 H GLN A 58 0.448 6.805 6.153 1.00 0.61 H new ATOM 0 HA GLN A 58 -1.417 8.716 5.503 1.00 0.79 H new ATOM 0 HB2 GLN A 58 -1.688 6.625 6.905 1.00 0.90 H new ATOM 0 HB3 GLN A 58 -0.922 7.467 8.238 1.00 0.90 H new ATOM 0 HG2 GLN A 58 -2.745 9.175 8.175 1.00 1.29 H new ATOM 0 HG3 GLN A 58 -3.521 8.274 6.887 1.00 1.29 H new ATOM 0 HE21 GLN A 58 -4.533 8.798 9.616 1.00 1.85 H new ATOM 0 HE22 GLN A 58 -4.809 7.195 10.305 1.00 1.85 H new ATOM 905 N GLY A 59 0.477 9.730 8.025 1.00 0.97 N ATOM 906 CA GLY A 59 0.883 10.917 8.746 1.00 1.28 C ATOM 907 C GLY A 59 2.353 10.902 9.105 1.00 1.13 C ATOM 908 O GLY A 59 2.731 11.273 10.212 1.00 1.42 O ATOM 0 H GLY A 59 0.910 8.864 8.345 1.00 0.97 H new ATOM 0 HA2 GLY A 59 0.669 11.797 8.140 1.00 1.28 H new ATOM 0 HA3 GLY A 59 0.291 11.006 9.657 1.00 1.28 H new ATOM 912 N THR A 60 3.184 10.460 8.174 1.00 0.95 N ATOM 913 CA THR A 60 4.624 10.430 8.396 1.00 0.99 C ATOM 914 C THR A 60 5.282 11.752 8.018 1.00 1.06 C ATOM 915 O THR A 60 6.474 11.957 8.263 1.00 1.25 O ATOM 916 CB THR A 60 5.279 9.296 7.593 1.00 1.04 C ATOM 917 OG1 THR A 60 4.749 9.285 6.261 1.00 0.99 O ATOM 918 CG2 THR A 60 5.041 7.948 8.259 1.00 1.21 C ATOM 0 H THR A 60 2.889 10.118 7.260 1.00 0.95 H new ATOM 0 HA THR A 60 4.774 10.257 9.462 1.00 0.99 H new ATOM 0 HB THR A 60 6.354 9.471 7.558 1.00 1.04 H new ATOM 0 HG1 THR A 60 5.364 8.804 5.668 1.00 0.99 H new ATOM 0 HG21 THR A 60 5.515 7.163 7.670 1.00 1.21 H new ATOM 0 HG22 THR A 60 5.468 7.957 9.262 1.00 1.21 H new ATOM 0 HG23 THR A 60 3.970 7.758 8.322 1.00 1.21 H new ATOM 926 N GLY A 61 4.503 12.652 7.436 1.00 1.08 N ATOM 927 CA GLY A 61 5.028 13.946 7.050 1.00 1.32 C ATOM 928 C GLY A 61 5.385 14.011 5.583 1.00 1.26 C ATOM 929 O GLY A 61 5.693 15.077 5.057 1.00 1.35 O ATOM 0 H GLY A 61 3.516 12.509 7.224 1.00 1.08 H new ATOM 0 HA2 GLY A 61 4.290 14.716 7.276 1.00 1.32 H new ATOM 0 HA3 GLY A 61 5.913 14.168 7.646 1.00 1.32 H new ATOM 933 N LEU A 62 5.343 12.869 4.919 1.00 1.16 N ATOM 934 CA LEU A 62 5.668 12.801 3.508 1.00 1.11 C ATOM 935 C LEU A 62 4.404 12.525 2.707 1.00 1.07 C ATOM 936 O LEU A 62 3.410 12.048 3.253 1.00 1.14 O ATOM 937 CB LEU A 62 6.698 11.695 3.262 1.00 1.10 C ATOM 938 CG LEU A 62 7.995 11.813 4.068 1.00 1.19 C ATOM 939 CD1 LEU A 62 8.907 10.628 3.793 1.00 1.23 C ATOM 940 CD2 LEU A 62 8.712 13.115 3.750 1.00 1.28 C ATOM 0 H LEU A 62 5.086 11.975 5.337 1.00 1.16 H new ATOM 0 HA LEU A 62 6.093 13.753 3.190 1.00 1.11 H new ATOM 0 HB2 LEU A 62 6.236 10.734 3.489 1.00 1.10 H new ATOM 0 HB3 LEU A 62 6.949 11.685 2.201 1.00 1.10 H new ATOM 0 HG LEU A 62 7.735 11.813 5.127 1.00 1.19 H new ATOM 0 HD11 LEU A 62 9.823 10.731 4.375 1.00 1.23 H new ATOM 0 HD12 LEU A 62 8.400 9.705 4.075 1.00 1.23 H new ATOM 0 HD13 LEU A 62 9.153 10.597 2.732 1.00 1.23 H new ATOM 0 HD21 LEU A 62 9.630 13.177 4.334 1.00 1.28 H new ATOM 0 HD22 LEU A 62 8.955 13.147 2.688 1.00 1.28 H new ATOM 0 HD23 LEU A 62 8.066 13.957 4.000 1.00 1.28 H new ATOM 952 N ARG A 63 4.439 12.830 1.423 1.00 1.01 N ATOM 953 CA ARG A 63 3.293 12.603 0.560 1.00 1.03 C ATOM 954 C ARG A 63 3.622 11.589 -0.519 1.00 0.92 C ATOM 955 O ARG A 63 4.691 11.638 -1.131 1.00 0.87 O ATOM 956 CB ARG A 63 2.829 13.909 -0.081 1.00 1.15 C ATOM 957 CG ARG A 63 2.168 14.866 0.892 1.00 1.51 C ATOM 958 CD ARG A 63 1.686 16.123 0.188 1.00 1.78 C ATOM 959 NE ARG A 63 0.776 15.824 -0.919 1.00 2.51 N ATOM 960 CZ ARG A 63 -0.087 16.703 -1.423 1.00 3.28 C ATOM 961 NH1 ARG A 63 -0.197 17.912 -0.879 1.00 3.53 N ATOM 962 NH2 ARG A 63 -0.845 16.374 -2.462 1.00 4.21 N ATOM 0 H ARG A 63 5.249 13.236 0.954 1.00 1.01 H new ATOM 0 HA ARG A 63 2.486 12.209 1.177 1.00 1.03 H new ATOM 0 HB2 ARG A 63 3.686 14.404 -0.537 1.00 1.15 H new ATOM 0 HB3 ARG A 63 2.128 13.680 -0.884 1.00 1.15 H new ATOM 0 HG2 ARG A 63 1.326 14.372 1.376 1.00 1.51 H new ATOM 0 HG3 ARG A 63 2.874 15.135 1.678 1.00 1.51 H new ATOM 0 HD2 ARG A 63 1.181 16.769 0.907 1.00 1.78 H new ATOM 0 HD3 ARG A 63 2.545 16.677 -0.190 1.00 1.78 H new ATOM 0 HE ARG A 63 0.805 14.890 -1.327 1.00 2.51 H new ATOM 0 HH11 ARG A 63 0.380 18.165 -0.076 1.00 3.53 H new ATOM 0 HH12 ARG A 63 -0.858 18.586 -1.264 1.00 3.53 H new ATOM 0 HH21 ARG A 63 -0.767 15.445 -2.876 1.00 4.21 H new ATOM 0 HH22 ARG A 63 -1.505 17.050 -2.846 1.00 4.21 H new ATOM 976 N TYR A 64 2.696 10.676 -0.745 1.00 0.96 N ATOM 977 CA TYR A 64 2.858 9.661 -1.768 1.00 0.91 C ATOM 978 C TYR A 64 2.099 10.065 -3.027 1.00 0.89 C ATOM 979 O TYR A 64 1.048 10.705 -2.952 1.00 0.94 O ATOM 980 CB TYR A 64 2.361 8.296 -1.262 1.00 0.92 C ATOM 981 CG TYR A 64 0.857 8.211 -1.081 1.00 0.97 C ATOM 982 CD1 TYR A 64 0.229 8.818 -0.001 1.00 1.02 C ATOM 983 CD2 TYR A 64 0.071 7.525 -1.998 1.00 1.06 C ATOM 984 CE1 TYR A 64 -1.141 8.746 0.159 1.00 1.14 C ATOM 985 CE2 TYR A 64 -1.299 7.446 -1.846 1.00 1.18 C ATOM 986 CZ TYR A 64 -1.901 8.058 -0.765 1.00 1.20 C ATOM 987 OH TYR A 64 -3.267 7.986 -0.613 1.00 1.37 O ATOM 0 H TYR A 64 1.818 10.617 -0.229 1.00 0.96 H new ATOM 0 HA TYR A 64 3.918 9.573 -2.005 1.00 0.91 H new ATOM 0 HB2 TYR A 64 2.676 7.524 -1.964 1.00 0.92 H new ATOM 0 HB3 TYR A 64 2.844 8.076 -0.310 1.00 0.92 H new ATOM 0 HD1 TYR A 64 0.821 9.355 0.725 1.00 1.02 H new ATOM 0 HD2 TYR A 64 0.540 7.045 -2.844 1.00 1.06 H new ATOM 0 HE1 TYR A 64 -1.615 9.226 1.003 1.00 1.14 H new ATOM 0 HE2 TYR A 64 -1.896 6.909 -2.568 1.00 1.18 H new ATOM 0 HH TYR A 64 -3.705 8.388 -1.393 1.00 1.37 H new ATOM 997 N GLN A 65 2.649 9.715 -4.174 1.00 0.90 N ATOM 998 CA GLN A 65 1.994 9.969 -5.445 1.00 0.93 C ATOM 999 C GLN A 65 2.190 8.775 -6.364 1.00 0.87 C ATOM 1000 O GLN A 65 3.291 8.235 -6.459 1.00 0.86 O ATOM 1001 CB GLN A 65 2.551 11.234 -6.103 1.00 1.03 C ATOM 1002 CG GLN A 65 1.885 11.575 -7.427 1.00 1.59 C ATOM 1003 CD GLN A 65 2.508 12.779 -8.105 1.00 2.07 C ATOM 1004 OE1 GLN A 65 3.448 12.646 -8.888 1.00 2.64 O ATOM 1005 NE2 GLN A 65 1.990 13.961 -7.813 1.00 2.63 N ATOM 0 H GLN A 65 3.554 9.251 -4.253 1.00 0.90 H new ATOM 0 HA GLN A 65 0.930 10.121 -5.265 1.00 0.93 H new ATOM 0 HB2 GLN A 65 2.430 12.073 -5.418 1.00 1.03 H new ATOM 0 HB3 GLN A 65 3.621 11.108 -6.266 1.00 1.03 H new ATOM 0 HG2 GLN A 65 1.950 10.715 -8.093 1.00 1.59 H new ATOM 0 HG3 GLN A 65 0.826 11.767 -7.257 1.00 1.59 H new ATOM 0 HE21 GLN A 65 1.211 14.029 -7.158 1.00 2.63 H new ATOM 0 HE22 GLN A 65 2.370 14.805 -8.242 1.00 2.63 H new ATOM 1014 N ILE A 66 1.124 8.352 -7.021 1.00 0.88 N ATOM 1015 CA ILE A 66 1.201 7.236 -7.942 1.00 0.86 C ATOM 1016 C ILE A 66 0.791 7.671 -9.346 1.00 0.98 C ATOM 1017 O ILE A 66 -0.177 8.418 -9.523 1.00 1.11 O ATOM 1018 CB ILE A 66 0.331 6.041 -7.470 1.00 0.92 C ATOM 1019 CG1 ILE A 66 0.454 4.864 -8.445 1.00 1.02 C ATOM 1020 CG2 ILE A 66 -1.125 6.461 -7.310 1.00 1.28 C ATOM 1021 CD1 ILE A 66 -0.292 3.623 -8.002 1.00 1.13 C ATOM 0 H ILE A 66 0.196 8.766 -6.933 1.00 0.88 H new ATOM 0 HA ILE A 66 2.238 6.901 -7.965 1.00 0.86 H new ATOM 0 HB ILE A 66 0.698 5.717 -6.496 1.00 0.92 H new ATOM 0 HG12 ILE A 66 0.080 5.172 -9.421 1.00 1.02 H new ATOM 0 HG13 ILE A 66 1.508 4.617 -8.571 1.00 1.02 H new ATOM 0 HG21 ILE A 66 -1.716 5.607 -6.978 1.00 1.28 H new ATOM 0 HG22 ILE A 66 -1.194 7.259 -6.571 1.00 1.28 H new ATOM 0 HG23 ILE A 66 -1.508 6.818 -8.266 1.00 1.28 H new ATOM 0 HD11 ILE A 66 -0.158 2.834 -8.742 1.00 1.13 H new ATOM 0 HD12 ILE A 66 0.097 3.288 -7.040 1.00 1.13 H new ATOM 0 HD13 ILE A 66 -1.353 3.852 -7.904 1.00 1.13 H new ATOM 1033 N ASP A 67 1.565 7.242 -10.329 1.00 1.04 N ATOM 1034 CA ASP A 67 1.274 7.524 -11.728 1.00 1.25 C ATOM 1035 C ASP A 67 1.816 6.391 -12.587 1.00 1.20 C ATOM 1036 O ASP A 67 3.024 6.137 -12.595 1.00 1.13 O ATOM 1037 CB ASP A 67 1.893 8.861 -12.150 1.00 1.45 C ATOM 1038 CG ASP A 67 1.531 9.253 -13.570 1.00 1.82 C ATOM 1039 OD1 ASP A 67 2.244 8.847 -14.508 1.00 2.28 O ATOM 1040 OD2 ASP A 67 0.532 9.982 -13.756 1.00 2.29 O ATOM 0 H ASP A 67 2.410 6.690 -10.182 1.00 1.04 H new ATOM 0 HA ASP A 67 0.195 7.598 -11.864 1.00 1.25 H new ATOM 0 HB2 ASP A 67 1.561 9.642 -11.466 1.00 1.45 H new ATOM 0 HB3 ASP A 67 2.978 8.799 -12.060 1.00 1.45 H new ATOM 1045 N GLY A 68 0.926 5.696 -13.282 1.00 1.28 N ATOM 1046 CA GLY A 68 1.330 4.532 -14.043 1.00 1.30 C ATOM 1047 C GLY A 68 1.823 3.425 -13.137 1.00 1.14 C ATOM 1048 O GLY A 68 1.037 2.787 -12.435 1.00 1.18 O ATOM 0 H GLY A 68 -0.068 5.918 -13.332 1.00 1.28 H new ATOM 0 HA2 GLY A 68 0.488 4.172 -14.635 1.00 1.30 H new ATOM 0 HA3 GLY A 68 2.118 4.809 -14.744 1.00 1.30 H new ATOM 1052 N ASN A 69 3.126 3.209 -13.136 1.00 1.03 N ATOM 1053 CA ASN A 69 3.742 2.246 -12.242 1.00 0.94 C ATOM 1054 C ASN A 69 4.872 2.913 -11.469 1.00 0.75 C ATOM 1055 O ASN A 69 5.796 2.253 -10.993 1.00 0.69 O ATOM 1056 CB ASN A 69 4.266 1.028 -13.014 1.00 1.06 C ATOM 1057 CG ASN A 69 5.312 1.378 -14.060 1.00 1.67 C ATOM 1058 OD1 ASN A 69 4.985 1.636 -15.218 1.00 2.35 O ATOM 1059 ND2 ASN A 69 6.575 1.366 -13.663 1.00 2.29 N ATOM 0 H ASN A 69 3.782 3.692 -13.750 1.00 1.03 H new ATOM 0 HA ASN A 69 2.986 1.893 -11.540 1.00 0.94 H new ATOM 0 HB2 ASN A 69 4.694 0.316 -12.308 1.00 1.06 H new ATOM 0 HB3 ASN A 69 3.429 0.529 -13.502 1.00 1.06 H new ATOM 0 HD21 ASN A 69 7.320 1.576 -14.327 1.00 2.29 H new ATOM 0 HD22 ASN A 69 6.803 1.147 -12.693 1.00 2.29 H new ATOM 1066 N THR A 70 4.789 4.228 -11.352 1.00 0.74 N ATOM 1067 CA THR A 70 5.792 4.997 -10.641 1.00 0.68 C ATOM 1068 C THR A 70 5.239 5.504 -9.311 1.00 0.63 C ATOM 1069 O THR A 70 4.127 6.033 -9.245 1.00 0.71 O ATOM 1070 CB THR A 70 6.282 6.189 -11.493 1.00 0.85 C ATOM 1071 OG1 THR A 70 6.754 5.718 -12.763 1.00 0.97 O ATOM 1072 CG2 THR A 70 7.401 6.947 -10.793 1.00 0.89 C ATOM 0 H THR A 70 4.031 4.787 -11.744 1.00 0.74 H new ATOM 0 HA THR A 70 6.638 4.338 -10.445 1.00 0.68 H new ATOM 0 HB THR A 70 5.440 6.867 -11.635 1.00 0.85 H new ATOM 0 HG1 THR A 70 7.062 6.478 -13.300 1.00 0.97 H new ATOM 0 HG21 THR A 70 7.723 7.779 -11.419 1.00 0.89 H new ATOM 0 HG22 THR A 70 7.040 7.329 -9.838 1.00 0.89 H new ATOM 0 HG23 THR A 70 8.242 6.276 -10.620 1.00 0.89 H new ATOM 1080 N VAL A 71 6.021 5.320 -8.262 1.00 0.56 N ATOM 1081 CA VAL A 71 5.648 5.753 -6.926 1.00 0.58 C ATOM 1082 C VAL A 71 6.564 6.885 -6.483 1.00 0.57 C ATOM 1083 O VAL A 71 7.774 6.698 -6.361 1.00 0.57 O ATOM 1084 CB VAL A 71 5.752 4.593 -5.913 1.00 0.60 C ATOM 1085 CG1 VAL A 71 5.223 5.014 -4.549 1.00 0.68 C ATOM 1086 CG2 VAL A 71 5.020 3.360 -6.423 1.00 0.65 C ATOM 0 H VAL A 71 6.933 4.866 -8.312 1.00 0.56 H new ATOM 0 HA VAL A 71 4.613 6.095 -6.957 1.00 0.58 H new ATOM 0 HB VAL A 71 6.805 4.337 -5.801 1.00 0.60 H new ATOM 0 HG11 VAL A 71 5.307 4.180 -3.853 1.00 0.68 H new ATOM 0 HG12 VAL A 71 5.806 5.857 -4.177 1.00 0.68 H new ATOM 0 HG13 VAL A 71 4.177 5.307 -4.639 1.00 0.68 H new ATOM 0 HG21 VAL A 71 5.108 2.556 -5.692 1.00 0.65 H new ATOM 0 HG22 VAL A 71 3.967 3.599 -6.575 1.00 0.65 H new ATOM 0 HG23 VAL A 71 5.460 3.041 -7.368 1.00 0.65 H new ATOM 1096 N THR A 72 5.992 8.051 -6.244 1.00 0.63 N ATOM 1097 CA THR A 72 6.771 9.227 -5.898 1.00 0.66 C ATOM 1098 C THR A 72 6.589 9.580 -4.426 1.00 0.70 C ATOM 1099 O THR A 72 5.466 9.621 -3.921 1.00 0.78 O ATOM 1100 CB THR A 72 6.354 10.430 -6.767 1.00 0.75 C ATOM 1101 OG1 THR A 72 6.385 10.058 -8.151 1.00 0.76 O ATOM 1102 CG2 THR A 72 7.276 11.623 -6.538 1.00 0.80 C ATOM 0 H THR A 72 4.985 8.210 -6.283 1.00 0.63 H new ATOM 0 HA THR A 72 7.820 8.998 -6.083 1.00 0.66 H new ATOM 0 HB THR A 72 5.343 10.721 -6.483 1.00 0.75 H new ATOM 0 HG1 THR A 72 6.118 10.823 -8.702 1.00 0.76 H new ATOM 0 HG21 THR A 72 6.956 12.455 -7.165 1.00 0.80 H new ATOM 0 HG22 THR A 72 7.233 11.920 -5.490 1.00 0.80 H new ATOM 0 HG23 THR A 72 8.299 11.347 -6.795 1.00 0.80 H new ATOM 1110 N VAL A 73 7.700 9.808 -3.737 1.00 0.70 N ATOM 1111 CA VAL A 73 7.668 10.203 -2.337 1.00 0.76 C ATOM 1112 C VAL A 73 8.224 11.614 -2.183 1.00 0.90 C ATOM 1113 O VAL A 73 9.430 11.837 -2.308 1.00 1.01 O ATOM 1114 CB VAL A 73 8.474 9.230 -1.446 1.00 0.79 C ATOM 1115 CG1 VAL A 73 8.385 9.641 0.019 1.00 0.89 C ATOM 1116 CG2 VAL A 73 7.983 7.799 -1.629 1.00 0.75 C ATOM 0 H VAL A 73 8.638 9.725 -4.129 1.00 0.70 H new ATOM 0 HA VAL A 73 6.628 10.175 -2.011 1.00 0.76 H new ATOM 0 HB VAL A 73 9.519 9.276 -1.753 1.00 0.79 H new ATOM 0 HG11 VAL A 73 8.959 8.943 0.628 1.00 0.89 H new ATOM 0 HG12 VAL A 73 8.789 10.646 0.140 1.00 0.89 H new ATOM 0 HG13 VAL A 73 7.343 9.628 0.338 1.00 0.89 H new ATOM 0 HG21 VAL A 73 8.564 7.131 -0.993 1.00 0.75 H new ATOM 0 HG22 VAL A 73 6.930 7.738 -1.354 1.00 0.75 H new ATOM 0 HG23 VAL A 73 8.104 7.503 -2.671 1.00 0.75 H new ATOM 1126 N THR A 74 7.339 12.566 -1.937 1.00 0.97 N ATOM 1127 CA THR A 74 7.735 13.956 -1.796 1.00 1.15 C ATOM 1128 C THR A 74 7.553 14.417 -0.350 1.00 1.11 C ATOM 1129 O THR A 74 6.705 13.894 0.376 1.00 0.99 O ATOM 1130 CB THR A 74 6.932 14.861 -2.762 1.00 1.38 C ATOM 1131 OG1 THR A 74 7.442 16.202 -2.728 1.00 1.87 O ATOM 1132 CG2 THR A 74 5.448 14.873 -2.416 1.00 1.47 C ATOM 0 H THR A 74 6.338 12.400 -1.831 1.00 0.97 H new ATOM 0 HA THR A 74 8.790 14.038 -2.057 1.00 1.15 H new ATOM 0 HB THR A 74 7.046 14.451 -3.765 1.00 1.38 H new ATOM 0 HG1 THR A 74 6.927 16.764 -3.344 1.00 1.87 H new ATOM 0 HG21 THR A 74 4.917 15.519 -3.115 1.00 1.47 H new ATOM 0 HG22 THR A 74 5.051 13.860 -2.483 1.00 1.47 H new ATOM 0 HG23 THR A 74 5.314 15.249 -1.402 1.00 1.47 H new