USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 618 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 65 GLN : amide:sc= -2.66! C(o=-2.7!,f=-5.5!) USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 47 HIS : no HD1:sc= 1.05 K(o=2.4,f=-7.5!) USER MOD Set 2.2: A 51 SER OG : rot -107:sc= 1.32 USER MOD Set 3.1: A 24 THR OG1 : rot 91:sc= 0.988 USER MOD Set 3.2: A 26 THR OG1 : rot 175:sc= 0.858 USER MOD Set 4.1: A 11 GLN : amide:sc= -1.38! K(o=-1.4!,f=-0.065) USER MOD Set 4.2: A 15 SER OG : rot 130:sc= 0 USER MOD Single : A 1 SER N :NH3+ 154:sc= 0.0195 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0118 USER MOD Single : A 2 GLN : amide:sc= -0.676 K(o=-0.68,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.6 USER MOD Single : A 13 MET CE :methyl 165:sc= -1.39 (180deg=-1.69) USER MOD Single : A 14 ASN : amide:sc=-0.00477 X(o=-0.0048,f=0) USER MOD Single : A 18 GLN : amide:sc= -1.5! K(o=-1.5!,f=-0.034) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.579! C(o=-0.58!,f=-5.9!) USER MOD Single : A 27 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.4) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 109:sc= 1.28 USER MOD Single : A 40 SER OG : rot 84:sc= 0.204 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 159:sc= 1.22 (180deg=0.791) USER MOD Single : A 50 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.00068) USER MOD Single : A 52 SER OG : rot -160:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.784 K(o=-0.78,f=-1.9!) USER MOD Single : A 60 THR OG1 : rot -77:sc= 1.24 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= -0.0147 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -9.356 -6.123 -10.828 1.00 2.75 N ATOM 2 CA SER A 1 -8.580 -5.655 -9.664 1.00 2.38 C ATOM 3 C SER A 1 -7.861 -6.823 -8.997 1.00 1.65 C ATOM 4 O SER A 1 -8.410 -7.920 -8.887 1.00 1.91 O ATOM 5 CB SER A 1 -9.515 -4.972 -8.665 1.00 2.96 C ATOM 6 OG SER A 1 -10.222 -3.903 -9.275 1.00 3.75 O ATOM 0 H1 SER A 1 -10.150 -5.473 -11.000 1.00 2.75 H new ATOM 0 H2 SER A 1 -8.742 -6.149 -11.667 1.00 2.75 H new ATOM 0 H3 SER A 1 -9.724 -7.077 -10.639 1.00 2.75 H new ATOM 0 HA SER A 1 -7.831 -4.939 -10.003 1.00 2.38 H new ATOM 0 HB2 SER A 1 -10.222 -5.700 -8.268 1.00 2.96 H new ATOM 0 HB3 SER A 1 -8.938 -4.595 -7.821 1.00 2.96 H new ATOM 0 HG SER A 1 -10.814 -3.484 -8.616 1.00 3.75 H new ATOM 14 N GLN A 2 -6.630 -6.587 -8.565 1.00 1.37 N ATOM 15 CA GLN A 2 -5.853 -7.606 -7.870 1.00 0.95 C ATOM 16 C GLN A 2 -5.249 -7.035 -6.599 1.00 0.75 C ATOM 17 O GLN A 2 -4.896 -5.857 -6.547 1.00 0.86 O ATOM 18 CB GLN A 2 -4.736 -8.161 -8.760 1.00 1.47 C ATOM 19 CG GLN A 2 -5.221 -9.033 -9.908 1.00 2.07 C ATOM 20 CD GLN A 2 -4.083 -9.747 -10.618 1.00 2.71 C ATOM 21 OE1 GLN A 2 -4.256 -10.849 -11.141 1.00 3.23 O ATOM 22 NE2 GLN A 2 -2.911 -9.127 -10.644 1.00 3.34 N ATOM 0 H GLN A 2 -6.146 -5.697 -8.684 1.00 1.37 H new ATOM 0 HA GLN A 2 -6.532 -8.421 -7.618 1.00 0.95 H new ATOM 0 HB2 GLN A 2 -4.166 -7.327 -9.169 1.00 1.47 H new ATOM 0 HB3 GLN A 2 -4.051 -8.742 -8.143 1.00 1.47 H new ATOM 0 HG2 GLN A 2 -5.927 -9.771 -9.526 1.00 2.07 H new ATOM 0 HG3 GLN A 2 -5.762 -8.416 -10.625 1.00 2.07 H new ATOM 0 HE21 GLN A 2 -2.807 -8.215 -10.200 1.00 3.34 H new ATOM 0 HE22 GLN A 2 -2.114 -9.562 -11.108 1.00 3.34 H new ATOM 31 N GLU A 3 -5.147 -7.864 -5.572 1.00 0.57 N ATOM 32 CA GLU A 3 -4.491 -7.460 -4.343 1.00 0.47 C ATOM 33 C GLU A 3 -3.157 -8.177 -4.223 1.00 0.42 C ATOM 34 O GLU A 3 -2.960 -9.244 -4.811 1.00 0.50 O ATOM 35 CB GLU A 3 -5.349 -7.751 -3.105 1.00 0.58 C ATOM 36 CG GLU A 3 -6.662 -6.985 -3.056 1.00 0.70 C ATOM 37 CD GLU A 3 -7.794 -7.729 -3.730 1.00 1.26 C ATOM 38 OE1 GLU A 3 -8.437 -8.573 -3.076 1.00 1.35 O ATOM 39 OE2 GLU A 3 -8.046 -7.467 -4.927 1.00 1.99 O ATOM 0 H GLU A 3 -5.510 -8.817 -5.567 1.00 0.57 H new ATOM 0 HA GLU A 3 -4.338 -6.382 -4.387 1.00 0.47 H new ATOM 0 HB2 GLU A 3 -5.564 -8.819 -3.070 1.00 0.58 H new ATOM 0 HB3 GLU A 3 -4.770 -7.513 -2.213 1.00 0.58 H new ATOM 0 HG2 GLU A 3 -6.927 -6.791 -2.017 1.00 0.70 H new ATOM 0 HG3 GLU A 3 -6.531 -6.016 -3.537 1.00 0.70 H new ATOM 46 N TRP A 4 -2.254 -7.608 -3.452 1.00 0.36 N ATOM 47 CA TRP A 4 -0.915 -8.151 -3.342 1.00 0.38 C ATOM 48 C TRP A 4 -0.559 -8.404 -1.890 1.00 0.34 C ATOM 49 O TRP A 4 -0.985 -7.675 -0.992 1.00 0.34 O ATOM 50 CB TRP A 4 0.099 -7.206 -3.992 1.00 0.45 C ATOM 51 CG TRP A 4 -0.115 -7.052 -5.467 1.00 0.57 C ATOM 52 CD1 TRP A 4 0.312 -7.902 -6.445 1.00 1.00 C ATOM 53 CD2 TRP A 4 -0.814 -5.993 -6.129 1.00 0.51 C ATOM 54 NE1 TRP A 4 -0.079 -7.436 -7.676 1.00 1.17 N ATOM 55 CE2 TRP A 4 -0.771 -6.265 -7.509 1.00 0.84 C ATOM 56 CE3 TRP A 4 -1.471 -4.839 -5.692 1.00 0.53 C ATOM 57 CZ2 TRP A 4 -1.361 -5.426 -8.451 1.00 0.89 C ATOM 58 CZ3 TRP A 4 -2.059 -4.010 -6.629 1.00 0.60 C ATOM 59 CH2 TRP A 4 -1.999 -4.307 -7.995 1.00 0.65 C ATOM 0 H TRP A 4 -2.422 -6.771 -2.893 1.00 0.36 H new ATOM 0 HA TRP A 4 -0.884 -9.104 -3.870 1.00 0.38 H new ATOM 0 HB2 TRP A 4 0.034 -6.228 -3.516 1.00 0.45 H new ATOM 0 HB3 TRP A 4 1.106 -7.582 -3.813 1.00 0.45 H new ATOM 0 HD1 TRP A 4 0.875 -8.808 -6.276 1.00 1.00 H new ATOM 0 HE1 TRP A 4 0.114 -7.888 -8.570 1.00 1.17 H new ATOM 0 HE3 TRP A 4 -1.518 -4.599 -4.640 1.00 0.53 H new ATOM 0 HZ2 TRP A 4 -1.316 -5.652 -9.506 1.00 0.89 H new ATOM 0 HZ3 TRP A 4 -2.573 -3.119 -6.301 1.00 0.60 H new ATOM 0 HH2 TRP A 4 -2.466 -3.639 -8.703 1.00 0.65 H new ATOM 70 N THR A 5 0.211 -9.453 -1.668 1.00 0.37 N ATOM 71 CA THR A 5 0.660 -9.803 -0.340 1.00 0.39 C ATOM 72 C THR A 5 2.043 -9.214 -0.128 1.00 0.35 C ATOM 73 O THR A 5 3.049 -9.763 -0.590 1.00 0.44 O ATOM 74 CB THR A 5 0.696 -11.328 -0.154 1.00 0.55 C ATOM 75 OG1 THR A 5 -0.547 -11.891 -0.598 1.00 1.13 O ATOM 76 CG2 THR A 5 0.929 -11.694 1.305 1.00 1.11 C ATOM 0 H THR A 5 0.540 -10.081 -2.401 1.00 0.37 H new ATOM 0 HA THR A 5 -0.036 -9.399 0.395 1.00 0.39 H new ATOM 0 HB THR A 5 1.519 -11.730 -0.744 1.00 0.55 H new ATOM 0 HG1 THR A 5 -0.525 -12.864 -0.482 1.00 1.13 H new ATOM 0 HG21 THR A 5 0.950 -12.779 1.409 1.00 1.11 H new ATOM 0 HG22 THR A 5 1.881 -11.279 1.637 1.00 1.11 H new ATOM 0 HG23 THR A 5 0.123 -11.287 1.915 1.00 1.11 H new ATOM 84 N LEU A 6 2.082 -8.085 0.547 1.00 0.30 N ATOM 85 CA LEU A 6 3.298 -7.302 0.650 1.00 0.34 C ATOM 86 C LEU A 6 3.988 -7.525 1.985 1.00 0.42 C ATOM 87 O LEU A 6 3.401 -7.301 3.043 1.00 0.75 O ATOM 88 CB LEU A 6 2.971 -5.819 0.467 1.00 0.42 C ATOM 89 CG LEU A 6 2.225 -5.475 -0.828 1.00 0.47 C ATOM 90 CD1 LEU A 6 1.871 -3.999 -0.865 1.00 0.66 C ATOM 91 CD2 LEU A 6 3.057 -5.849 -2.044 1.00 0.53 C ATOM 0 H LEU A 6 1.281 -7.686 1.036 1.00 0.30 H new ATOM 0 HA LEU A 6 3.981 -7.625 -0.136 1.00 0.34 H new ATOM 0 HB2 LEU A 6 2.370 -5.488 1.314 1.00 0.42 H new ATOM 0 HB3 LEU A 6 3.901 -5.251 0.495 1.00 0.42 H new ATOM 0 HG LEU A 6 1.302 -6.054 -0.851 1.00 0.47 H new ATOM 0 HD11 LEU A 6 1.342 -3.775 -1.791 1.00 0.66 H new ATOM 0 HD12 LEU A 6 1.233 -3.756 -0.015 1.00 0.66 H new ATOM 0 HD13 LEU A 6 2.783 -3.405 -0.815 1.00 0.66 H new ATOM 0 HD21 LEU A 6 2.509 -5.596 -2.952 1.00 0.53 H new ATOM 0 HD22 LEU A 6 3.998 -5.300 -2.024 1.00 0.53 H new ATOM 0 HD23 LEU A 6 3.261 -6.920 -2.030 1.00 0.53 H new ATOM 103 N ASP A 7 5.229 -7.981 1.926 1.00 0.38 N ATOM 104 CA ASP A 7 6.052 -8.108 3.116 1.00 0.44 C ATOM 105 C ASP A 7 6.863 -6.840 3.306 1.00 0.39 C ATOM 106 O ASP A 7 7.903 -6.655 2.673 1.00 0.46 O ATOM 107 CB ASP A 7 6.994 -9.312 3.010 1.00 0.58 C ATOM 108 CG ASP A 7 6.289 -10.635 3.226 1.00 1.30 C ATOM 109 OD1 ASP A 7 6.163 -11.058 4.398 1.00 1.67 O ATOM 110 OD2 ASP A 7 5.871 -11.268 2.231 1.00 2.12 O ATOM 0 H ASP A 7 5.689 -8.270 1.063 1.00 0.38 H new ATOM 0 HA ASP A 7 5.397 -8.263 3.974 1.00 0.44 H new ATOM 0 HB2 ASP A 7 7.464 -9.313 2.027 1.00 0.58 H new ATOM 0 HB3 ASP A 7 7.792 -9.208 3.745 1.00 0.58 H new ATOM 115 N ILE A 8 6.378 -5.959 4.164 1.00 0.35 N ATOM 116 CA ILE A 8 7.039 -4.690 4.412 1.00 0.32 C ATOM 117 C ILE A 8 7.776 -4.730 5.745 1.00 0.30 C ATOM 118 O ILE A 8 7.167 -4.967 6.788 1.00 0.35 O ATOM 119 CB ILE A 8 6.020 -3.525 4.410 1.00 0.37 C ATOM 120 CG1 ILE A 8 5.319 -3.431 3.049 1.00 0.52 C ATOM 121 CG2 ILE A 8 6.698 -2.205 4.757 1.00 0.44 C ATOM 122 CD1 ILE A 8 6.262 -3.185 1.887 1.00 0.91 C ATOM 0 H ILE A 8 5.524 -6.101 4.703 1.00 0.35 H new ATOM 0 HA ILE A 8 7.758 -4.522 3.610 1.00 0.32 H new ATOM 0 HB ILE A 8 5.270 -3.728 5.174 1.00 0.37 H new ATOM 0 HG12 ILE A 8 4.770 -4.356 2.869 1.00 0.52 H new ATOM 0 HG13 ILE A 8 4.585 -2.626 3.085 1.00 0.52 H new ATOM 0 HG21 ILE A 8 5.959 -1.403 4.748 1.00 0.44 H new ATOM 0 HG22 ILE A 8 7.146 -2.275 5.748 1.00 0.44 H new ATOM 0 HG23 ILE A 8 7.475 -1.991 4.023 1.00 0.44 H new ATOM 0 HD11 ILE A 8 5.691 -3.131 0.960 1.00 0.91 H new ATOM 0 HD12 ILE A 8 6.793 -2.245 2.042 1.00 0.91 H new ATOM 0 HD13 ILE A 8 6.981 -4.001 1.823 1.00 0.91 H new ATOM 134 N PRO A 9 9.102 -4.537 5.714 1.00 0.26 N ATOM 135 CA PRO A 9 9.944 -4.551 6.915 1.00 0.26 C ATOM 136 C PRO A 9 9.703 -3.359 7.840 1.00 0.27 C ATOM 137 O PRO A 9 9.394 -2.252 7.393 1.00 0.32 O ATOM 138 CB PRO A 9 11.378 -4.502 6.360 1.00 0.29 C ATOM 139 CG PRO A 9 11.250 -4.831 4.912 1.00 0.35 C ATOM 140 CD PRO A 9 9.898 -4.324 4.501 1.00 0.29 C ATOM 0 HA PRO A 9 9.730 -5.427 7.527 1.00 0.26 H new ATOM 0 HB2 PRO A 9 11.821 -3.516 6.502 1.00 0.29 H new ATOM 0 HB3 PRO A 9 12.022 -5.218 6.871 1.00 0.29 H new ATOM 0 HG2 PRO A 9 12.040 -4.356 4.331 1.00 0.35 H new ATOM 0 HG3 PRO A 9 11.333 -5.905 4.745 1.00 0.35 H new ATOM 0 HD2 PRO A 9 9.928 -3.273 4.214 1.00 0.29 H new ATOM 0 HD3 PRO A 9 9.498 -4.876 3.650 1.00 0.29 H new ATOM 148 N ALA A 10 9.866 -3.601 9.133 1.00 0.30 N ATOM 149 CA ALA A 10 9.747 -2.560 10.150 1.00 0.33 C ATOM 150 C ALA A 10 11.123 -2.027 10.510 1.00 0.35 C ATOM 151 O ALA A 10 11.362 -1.548 11.621 1.00 0.43 O ATOM 152 CB ALA A 10 9.040 -3.099 11.386 1.00 0.41 C ATOM 0 H ALA A 10 10.085 -4.524 9.509 1.00 0.30 H new ATOM 0 HA ALA A 10 9.149 -1.742 9.748 1.00 0.33 H new ATOM 0 HB1 ALA A 10 8.960 -2.309 12.133 1.00 0.41 H new ATOM 0 HB2 ALA A 10 8.042 -3.443 11.114 1.00 0.41 H new ATOM 0 HB3 ALA A 10 9.611 -3.932 11.798 1.00 0.41 H new ATOM 158 N GLN A 11 12.026 -2.138 9.555 1.00 0.34 N ATOM 159 CA GLN A 11 13.379 -1.645 9.703 1.00 0.40 C ATOM 160 C GLN A 11 13.461 -0.258 9.090 1.00 0.35 C ATOM 161 O GLN A 11 12.445 0.435 8.983 1.00 0.37 O ATOM 162 CB GLN A 11 14.353 -2.590 8.993 1.00 0.53 C ATOM 163 CG GLN A 11 14.240 -4.039 9.441 1.00 0.96 C ATOM 164 CD GLN A 11 15.062 -4.986 8.586 1.00 0.90 C ATOM 165 OE1 GLN A 11 15.554 -6.005 9.067 1.00 1.61 O ATOM 166 NE2 GLN A 11 15.211 -4.664 7.309 1.00 0.90 N ATOM 0 H GLN A 11 11.840 -2.574 8.652 1.00 0.34 H new ATOM 0 HA GLN A 11 13.646 -1.597 10.759 1.00 0.40 H new ATOM 0 HB2 GLN A 11 14.178 -2.537 7.919 1.00 0.53 H new ATOM 0 HB3 GLN A 11 15.372 -2.244 9.167 1.00 0.53 H new ATOM 0 HG2 GLN A 11 14.564 -4.120 10.479 1.00 0.96 H new ATOM 0 HG3 GLN A 11 13.194 -4.344 9.409 1.00 0.96 H new ATOM 0 HE21 GLN A 11 14.788 -3.810 6.946 1.00 0.90 H new ATOM 0 HE22 GLN A 11 15.749 -5.270 6.690 1.00 0.90 H new ATOM 175 N SER A 12 14.655 0.150 8.702 1.00 0.38 N ATOM 176 CA SER A 12 14.828 1.371 7.938 1.00 0.40 C ATOM 177 C SER A 12 13.898 1.359 6.723 1.00 0.36 C ATOM 178 O SER A 12 13.807 0.359 6.001 1.00 0.34 O ATOM 179 CB SER A 12 16.288 1.499 7.493 1.00 0.50 C ATOM 180 OG SER A 12 16.500 2.666 6.716 1.00 1.30 O ATOM 0 H SER A 12 15.522 -0.348 8.904 1.00 0.38 H new ATOM 0 HA SER A 12 14.575 2.228 8.562 1.00 0.40 H new ATOM 0 HB2 SER A 12 16.935 1.524 8.370 1.00 0.50 H new ATOM 0 HB3 SER A 12 16.570 0.620 6.913 1.00 0.50 H new ATOM 0 HG SER A 12 17.442 2.716 6.451 1.00 1.30 H new ATOM 186 N MET A 13 13.180 2.469 6.541 1.00 0.42 N ATOM 187 CA MET A 13 12.226 2.636 5.444 1.00 0.46 C ATOM 188 C MET A 13 12.854 2.309 4.092 1.00 0.42 C ATOM 189 O MET A 13 12.155 1.912 3.162 1.00 0.45 O ATOM 190 CB MET A 13 11.670 4.064 5.441 1.00 0.61 C ATOM 191 CG MET A 13 10.699 4.343 4.303 1.00 0.68 C ATOM 192 SD MET A 13 9.938 5.975 4.418 1.00 1.29 S ATOM 193 CE MET A 13 8.967 5.798 5.910 1.00 1.00 C ATOM 0 H MET A 13 13.245 3.282 7.154 1.00 0.42 H new ATOM 0 HA MET A 13 11.409 1.932 5.605 1.00 0.46 H new ATOM 0 HB2 MET A 13 11.166 4.250 6.390 1.00 0.61 H new ATOM 0 HB3 MET A 13 12.501 4.767 5.378 1.00 0.61 H new ATOM 0 HG2 MET A 13 11.226 4.259 3.353 1.00 0.68 H new ATOM 0 HG3 MET A 13 9.918 3.582 4.303 1.00 0.68 H new ATOM 0 HE1 MET A 13 8.655 6.782 6.260 1.00 1.00 H new ATOM 0 HE2 MET A 13 8.086 5.191 5.701 1.00 1.00 H new ATOM 0 HE3 MET A 13 9.568 5.313 6.680 1.00 1.00 H new ATOM 203 N ASN A 14 14.168 2.476 3.995 1.00 0.41 N ATOM 204 CA ASN A 14 14.904 2.110 2.790 1.00 0.45 C ATOM 205 C ASN A 14 14.653 0.647 2.432 1.00 0.41 C ATOM 206 O ASN A 14 14.476 0.307 1.265 1.00 0.47 O ATOM 207 CB ASN A 14 16.405 2.364 2.984 1.00 0.52 C ATOM 208 CG ASN A 14 17.241 1.892 1.805 1.00 1.32 C ATOM 209 OD1 ASN A 14 17.415 2.612 0.823 1.00 2.26 O ATOM 210 ND2 ASN A 14 17.792 0.693 1.912 1.00 1.85 N ATOM 0 H ASN A 14 14.748 2.864 4.739 1.00 0.41 H new ATOM 0 HA ASN A 14 14.550 2.731 1.967 1.00 0.45 H new ATOM 0 HB2 ASN A 14 16.571 3.430 3.137 1.00 0.52 H new ATOM 0 HB3 ASN A 14 16.741 1.856 3.888 1.00 0.52 H new ATOM 0 HD21 ASN A 14 18.386 0.336 1.163 1.00 1.85 H new ATOM 0 HD22 ASN A 14 17.623 0.126 2.743 1.00 1.85 H new ATOM 217 N SER A 15 14.585 -0.208 3.448 1.00 0.36 N ATOM 218 CA SER A 15 14.365 -1.634 3.241 1.00 0.36 C ATOM 219 C SER A 15 12.928 -1.869 2.792 1.00 0.32 C ATOM 220 O SER A 15 12.666 -2.653 1.878 1.00 0.32 O ATOM 221 CB SER A 15 14.651 -2.406 4.540 1.00 0.38 C ATOM 222 OG SER A 15 14.637 -3.806 4.327 1.00 1.20 O ATOM 0 H SER A 15 14.680 0.064 4.426 1.00 0.36 H new ATOM 0 HA SER A 15 15.043 -1.994 2.467 1.00 0.36 H new ATOM 0 HB2 SER A 15 15.622 -2.107 4.936 1.00 0.38 H new ATOM 0 HB3 SER A 15 13.906 -2.144 5.291 1.00 0.38 H new ATOM 0 HG SER A 15 15.448 -4.203 4.707 1.00 1.20 H new ATOM 228 N ALA A 16 12.006 -1.158 3.434 1.00 0.31 N ATOM 229 CA ALA A 16 10.586 -1.269 3.122 1.00 0.32 C ATOM 230 C ALA A 16 10.296 -0.862 1.682 1.00 0.30 C ATOM 231 O ALA A 16 9.514 -1.512 0.990 1.00 0.29 O ATOM 232 CB ALA A 16 9.775 -0.415 4.083 1.00 0.38 C ATOM 0 H ALA A 16 12.220 -0.494 4.179 1.00 0.31 H new ATOM 0 HA ALA A 16 10.297 -2.314 3.236 1.00 0.32 H new ATOM 0 HB1 ALA A 16 8.715 -0.504 3.843 1.00 0.38 H new ATOM 0 HB2 ALA A 16 9.945 -0.755 5.104 1.00 0.38 H new ATOM 0 HB3 ALA A 16 10.082 0.627 3.992 1.00 0.38 H new ATOM 238 N LEU A 17 10.934 0.209 1.235 1.00 0.31 N ATOM 239 CA LEU A 17 10.724 0.711 -0.114 1.00 0.33 C ATOM 240 C LEU A 17 11.317 -0.240 -1.153 1.00 0.32 C ATOM 241 O LEU A 17 10.705 -0.481 -2.194 1.00 0.35 O ATOM 242 CB LEU A 17 11.314 2.115 -0.253 1.00 0.38 C ATOM 243 CG LEU A 17 10.659 3.170 0.642 1.00 0.46 C ATOM 244 CD1 LEU A 17 11.334 4.518 0.464 1.00 0.92 C ATOM 245 CD2 LEU A 17 9.173 3.277 0.342 1.00 0.73 C ATOM 0 H LEU A 17 11.602 0.747 1.787 1.00 0.31 H new ATOM 0 HA LEU A 17 9.651 0.769 -0.297 1.00 0.33 H new ATOM 0 HB2 LEU A 17 12.379 2.072 -0.023 1.00 0.38 H new ATOM 0 HB3 LEU A 17 11.224 2.432 -1.292 1.00 0.38 H new ATOM 0 HG LEU A 17 10.780 2.859 1.680 1.00 0.46 H new ATOM 0 HD11 LEU A 17 10.853 5.254 1.109 1.00 0.92 H new ATOM 0 HD12 LEU A 17 12.388 4.435 0.730 1.00 0.92 H new ATOM 0 HD13 LEU A 17 11.246 4.834 -0.575 1.00 0.92 H new ATOM 0 HD21 LEU A 17 8.725 4.032 0.988 1.00 0.73 H new ATOM 0 HD22 LEU A 17 9.032 3.562 -0.701 1.00 0.73 H new ATOM 0 HD23 LEU A 17 8.695 2.314 0.523 1.00 0.73 H new ATOM 257 N GLN A 18 12.492 -0.793 -0.863 1.00 0.34 N ATOM 258 CA GLN A 18 13.094 -1.800 -1.734 1.00 0.39 C ATOM 259 C GLN A 18 12.166 -2.998 -1.873 1.00 0.33 C ATOM 260 O GLN A 18 11.984 -3.542 -2.964 1.00 0.34 O ATOM 261 CB GLN A 18 14.436 -2.277 -1.175 1.00 0.49 C ATOM 262 CG GLN A 18 15.517 -1.209 -1.124 1.00 1.07 C ATOM 263 CD GLN A 18 16.793 -1.712 -0.475 1.00 1.51 C ATOM 264 OE1 GLN A 18 17.894 -1.263 -0.802 1.00 2.06 O ATOM 265 NE2 GLN A 18 16.657 -2.647 0.453 1.00 2.19 N ATOM 0 H GLN A 18 13.044 -0.563 -0.037 1.00 0.34 H new ATOM 0 HA GLN A 18 13.256 -1.341 -2.709 1.00 0.39 H new ATOM 0 HB2 GLN A 18 14.278 -2.664 -0.168 1.00 0.49 H new ATOM 0 HB3 GLN A 18 14.793 -3.108 -1.783 1.00 0.49 H new ATOM 0 HG2 GLN A 18 15.736 -0.869 -2.136 1.00 1.07 H new ATOM 0 HG3 GLN A 18 15.146 -0.346 -0.571 1.00 1.07 H new ATOM 0 HE21 GLN A 18 15.729 -2.993 0.696 1.00 2.19 H new ATOM 0 HE22 GLN A 18 17.480 -3.021 0.925 1.00 2.19 H new ATOM 274 N ALA A 19 11.567 -3.391 -0.758 1.00 0.29 N ATOM 275 CA ALA A 19 10.656 -4.522 -0.737 1.00 0.28 C ATOM 276 C ALA A 19 9.401 -4.221 -1.542 1.00 0.26 C ATOM 277 O ALA A 19 8.935 -5.057 -2.313 1.00 0.28 O ATOM 278 CB ALA A 19 10.296 -4.888 0.693 1.00 0.31 C ATOM 0 H ALA A 19 11.698 -2.939 0.147 1.00 0.29 H new ATOM 0 HA ALA A 19 11.159 -5.373 -1.197 1.00 0.28 H new ATOM 0 HB1 ALA A 19 9.613 -5.737 0.690 1.00 0.31 H new ATOM 0 HB2 ALA A 19 11.201 -5.152 1.240 1.00 0.31 H new ATOM 0 HB3 ALA A 19 9.815 -4.037 1.176 1.00 0.31 H new ATOM 284 N LEU A 20 8.869 -3.013 -1.384 1.00 0.27 N ATOM 285 CA LEU A 20 7.627 -2.628 -2.042 1.00 0.32 C ATOM 286 C LEU A 20 7.800 -2.592 -3.559 1.00 0.33 C ATOM 287 O LEU A 20 7.003 -3.168 -4.298 1.00 0.36 O ATOM 288 CB LEU A 20 7.161 -1.259 -1.534 1.00 0.38 C ATOM 289 CG LEU A 20 5.862 -0.734 -2.154 1.00 0.58 C ATOM 290 CD1 LEU A 20 4.697 -1.652 -1.812 1.00 1.03 C ATOM 291 CD2 LEU A 20 5.579 0.680 -1.675 1.00 0.95 C ATOM 0 H LEU A 20 9.281 -2.282 -0.804 1.00 0.27 H new ATOM 0 HA LEU A 20 6.870 -3.375 -1.801 1.00 0.32 H new ATOM 0 HB2 LEU A 20 7.030 -1.317 -0.453 1.00 0.38 H new ATOM 0 HB3 LEU A 20 7.952 -0.533 -1.721 1.00 0.38 H new ATOM 0 HG LEU A 20 5.981 -0.717 -3.237 1.00 0.58 H new ATOM 0 HD11 LEU A 20 3.783 -1.263 -2.261 1.00 1.03 H new ATOM 0 HD12 LEU A 20 4.895 -2.651 -2.200 1.00 1.03 H new ATOM 0 HD13 LEU A 20 4.577 -1.700 -0.730 1.00 1.03 H new ATOM 0 HD21 LEU A 20 4.653 1.038 -2.125 1.00 0.95 H new ATOM 0 HD22 LEU A 20 5.480 0.684 -0.589 1.00 0.95 H new ATOM 0 HD23 LEU A 20 6.401 1.334 -1.967 1.00 0.95 H new ATOM 303 N ALA A 21 8.872 -1.943 -4.004 1.00 0.33 N ATOM 304 CA ALA A 21 9.120 -1.749 -5.431 1.00 0.39 C ATOM 305 C ALA A 21 9.266 -3.095 -6.129 1.00 0.38 C ATOM 306 O ALA A 21 8.713 -3.320 -7.206 1.00 0.44 O ATOM 307 CB ALA A 21 10.362 -0.899 -5.645 1.00 0.44 C ATOM 0 H ALA A 21 9.585 -1.541 -3.396 1.00 0.33 H new ATOM 0 HA ALA A 21 8.268 -1.225 -5.864 1.00 0.39 H new ATOM 0 HB1 ALA A 21 10.531 -0.765 -6.713 1.00 0.44 H new ATOM 0 HB2 ALA A 21 10.222 0.074 -5.175 1.00 0.44 H new ATOM 0 HB3 ALA A 21 11.224 -1.396 -5.201 1.00 0.44 H new ATOM 313 N LYS A 22 10.007 -3.979 -5.479 1.00 0.36 N ATOM 314 CA LYS A 22 10.239 -5.330 -5.968 1.00 0.42 C ATOM 315 C LYS A 22 8.927 -6.102 -6.118 1.00 0.37 C ATOM 316 O LYS A 22 8.716 -6.805 -7.109 1.00 0.47 O ATOM 317 CB LYS A 22 11.162 -6.053 -4.981 1.00 0.53 C ATOM 318 CG LYS A 22 11.423 -7.515 -5.307 1.00 1.22 C ATOM 319 CD LYS A 22 12.021 -8.238 -4.108 1.00 1.84 C ATOM 320 CE LYS A 22 11.069 -8.210 -2.920 1.00 2.65 C ATOM 321 NZ LYS A 22 11.657 -8.830 -1.707 1.00 3.41 N ATOM 0 H LYS A 22 10.468 -3.778 -4.591 1.00 0.36 H new ATOM 0 HA LYS A 22 10.702 -5.276 -6.953 1.00 0.42 H new ATOM 0 HB2 LYS A 22 12.116 -5.527 -4.945 1.00 0.53 H new ATOM 0 HB3 LYS A 22 10.726 -5.990 -3.984 1.00 0.53 H new ATOM 0 HG2 LYS A 22 10.492 -7.998 -5.601 1.00 1.22 H new ATOM 0 HG3 LYS A 22 12.102 -7.587 -6.157 1.00 1.22 H new ATOM 0 HD2 LYS A 22 12.243 -9.271 -4.376 1.00 1.84 H new ATOM 0 HD3 LYS A 22 12.966 -7.770 -3.832 1.00 1.84 H new ATOM 0 HE2 LYS A 22 10.797 -7.178 -2.701 1.00 2.65 H new ATOM 0 HE3 LYS A 22 10.150 -8.733 -3.183 1.00 2.65 H new ATOM 0 HZ1 LYS A 22 10.970 -8.786 -0.927 1.00 3.41 H new ATOM 0 HZ2 LYS A 22 11.893 -9.823 -1.905 1.00 3.41 H new ATOM 0 HZ3 LYS A 22 12.520 -8.316 -1.438 1.00 3.41 H new ATOM 335 N GLN A 23 8.038 -5.939 -5.147 1.00 0.33 N ATOM 336 CA GLN A 23 6.828 -6.748 -5.065 1.00 0.39 C ATOM 337 C GLN A 23 5.747 -6.307 -6.050 1.00 0.40 C ATOM 338 O GLN A 23 4.997 -7.139 -6.553 1.00 0.49 O ATOM 339 CB GLN A 23 6.283 -6.721 -3.638 1.00 0.52 C ATOM 340 CG GLN A 23 7.115 -7.535 -2.661 1.00 0.76 C ATOM 341 CD GLN A 23 6.724 -7.298 -1.213 1.00 0.78 C ATOM 342 OE1 GLN A 23 6.821 -8.196 -0.379 1.00 1.52 O ATOM 343 NE2 GLN A 23 6.304 -6.082 -0.901 1.00 1.29 N ATOM 0 H GLN A 23 8.133 -5.250 -4.401 1.00 0.33 H new ATOM 0 HA GLN A 23 7.105 -7.766 -5.340 1.00 0.39 H new ATOM 0 HB2 GLN A 23 6.238 -5.688 -3.293 1.00 0.52 H new ATOM 0 HB3 GLN A 23 5.262 -7.101 -3.639 1.00 0.52 H new ATOM 0 HG2 GLN A 23 7.006 -8.594 -2.893 1.00 0.76 H new ATOM 0 HG3 GLN A 23 8.168 -7.287 -2.793 1.00 0.76 H new ATOM 0 HE21 GLN A 23 6.238 -5.364 -1.623 1.00 1.29 H new ATOM 0 HE22 GLN A 23 6.047 -5.863 0.061 1.00 1.29 H new ATOM 352 N THR A 24 5.659 -5.013 -6.330 1.00 0.38 N ATOM 353 CA THR A 24 4.593 -4.512 -7.192 1.00 0.47 C ATOM 354 C THR A 24 5.110 -4.010 -8.539 1.00 0.48 C ATOM 355 O THR A 24 4.335 -3.522 -9.366 1.00 0.76 O ATOM 356 CB THR A 24 3.799 -3.387 -6.500 1.00 0.54 C ATOM 357 OG1 THR A 24 4.699 -2.492 -5.828 1.00 0.62 O ATOM 358 CG2 THR A 24 2.804 -3.961 -5.502 1.00 0.62 C ATOM 0 H THR A 24 6.300 -4.301 -5.980 1.00 0.38 H new ATOM 0 HA THR A 24 3.936 -5.361 -7.379 1.00 0.47 H new ATOM 0 HB THR A 24 3.247 -2.839 -7.264 1.00 0.54 H new ATOM 0 HG1 THR A 24 4.957 -1.769 -6.437 1.00 0.62 H new ATOM 0 HG21 THR A 24 2.256 -3.148 -5.026 1.00 0.62 H new ATOM 0 HG22 THR A 24 2.104 -4.616 -6.021 1.00 0.62 H new ATOM 0 HG23 THR A 24 3.339 -4.531 -4.742 1.00 0.62 H new ATOM 366 N ASP A 25 6.421 -4.157 -8.754 1.00 0.41 N ATOM 367 CA ASP A 25 7.078 -3.733 -9.998 1.00 0.49 C ATOM 368 C ASP A 25 6.828 -2.257 -10.274 1.00 0.49 C ATOM 369 O ASP A 25 6.637 -1.850 -11.421 1.00 0.72 O ATOM 370 CB ASP A 25 6.600 -4.564 -11.197 1.00 0.68 C ATOM 371 CG ASP A 25 7.001 -6.020 -11.109 1.00 1.29 C ATOM 372 OD1 ASP A 25 8.202 -6.321 -11.264 1.00 1.57 O ATOM 373 OD2 ASP A 25 6.114 -6.876 -10.898 1.00 2.11 O ATOM 0 H ASP A 25 7.057 -4.572 -8.073 1.00 0.41 H new ATOM 0 HA ASP A 25 8.148 -3.895 -9.864 1.00 0.49 H new ATOM 0 HB2 ASP A 25 5.514 -4.496 -11.268 1.00 0.68 H new ATOM 0 HB3 ASP A 25 7.007 -4.136 -12.113 1.00 0.68 H new ATOM 378 N THR A 26 6.832 -1.457 -9.222 1.00 0.34 N ATOM 379 CA THR A 26 6.540 -0.039 -9.339 1.00 0.40 C ATOM 380 C THR A 26 7.799 0.797 -9.169 1.00 0.38 C ATOM 381 O THR A 26 8.785 0.338 -8.590 1.00 0.40 O ATOM 382 CB THR A 26 5.491 0.384 -8.292 1.00 0.46 C ATOM 383 OG1 THR A 26 5.793 -0.223 -7.027 1.00 0.76 O ATOM 384 CG2 THR A 26 4.092 -0.017 -8.731 1.00 0.72 C ATOM 0 H THR A 26 7.035 -1.768 -8.272 1.00 0.34 H new ATOM 0 HA THR A 26 6.141 0.135 -10.338 1.00 0.40 H new ATOM 0 HB THR A 26 5.524 1.469 -8.194 1.00 0.46 H new ATOM 0 HG1 THR A 26 5.172 0.112 -6.347 1.00 0.76 H new ATOM 0 HG21 THR A 26 3.371 0.293 -7.975 1.00 0.72 H new ATOM 0 HG22 THR A 26 3.855 0.467 -9.678 1.00 0.72 H new ATOM 0 HG23 THR A 26 4.046 -1.099 -8.855 1.00 0.72 H new ATOM 392 N GLN A 27 7.762 2.019 -9.682 1.00 0.41 N ATOM 393 CA GLN A 27 8.883 2.933 -9.559 1.00 0.44 C ATOM 394 C GLN A 27 8.655 3.877 -8.390 1.00 0.46 C ATOM 395 O GLN A 27 7.636 4.568 -8.330 1.00 0.47 O ATOM 396 CB GLN A 27 9.065 3.745 -10.844 1.00 0.50 C ATOM 397 CG GLN A 27 10.242 4.703 -10.791 1.00 1.05 C ATOM 398 CD GLN A 27 10.267 5.663 -11.961 1.00 1.67 C ATOM 399 OE1 GLN A 27 10.856 5.385 -13.000 1.00 2.39 O ATOM 400 NE2 GLN A 27 9.630 6.811 -11.794 1.00 2.31 N ATOM 0 H GLN A 27 6.963 2.399 -10.189 1.00 0.41 H new ATOM 0 HA GLN A 27 9.785 2.347 -9.385 1.00 0.44 H new ATOM 0 HB2 GLN A 27 9.201 3.060 -11.681 1.00 0.50 H new ATOM 0 HB3 GLN A 27 8.154 4.311 -11.039 1.00 0.50 H new ATOM 0 HG2 GLN A 27 10.202 5.271 -9.861 1.00 1.05 H new ATOM 0 HG3 GLN A 27 11.170 4.131 -10.775 1.00 1.05 H new ATOM 0 HE21 GLN A 27 9.151 7.005 -10.914 1.00 2.31 H new ATOM 0 HE22 GLN A 27 9.618 7.501 -12.545 1.00 2.31 H new ATOM 409 N LEU A 28 9.597 3.901 -7.463 1.00 0.51 N ATOM 410 CA LEU A 28 9.495 4.762 -6.299 1.00 0.55 C ATOM 411 C LEU A 28 10.487 5.909 -6.411 1.00 0.58 C ATOM 412 O LEU A 28 11.698 5.694 -6.436 1.00 0.71 O ATOM 413 CB LEU A 28 9.750 3.968 -5.014 1.00 0.69 C ATOM 414 CG LEU A 28 8.787 2.806 -4.763 1.00 0.78 C ATOM 415 CD1 LEU A 28 9.145 2.093 -3.473 1.00 1.51 C ATOM 416 CD2 LEU A 28 7.347 3.295 -4.713 1.00 1.30 C ATOM 0 H LEU A 28 10.443 3.332 -7.495 1.00 0.51 H new ATOM 0 HA LEU A 28 8.484 5.168 -6.257 1.00 0.55 H new ATOM 0 HB2 LEU A 28 10.767 3.576 -5.044 1.00 0.69 H new ATOM 0 HB3 LEU A 28 9.697 4.652 -4.167 1.00 0.69 H new ATOM 0 HG LEU A 28 8.880 2.103 -5.591 1.00 0.78 H new ATOM 0 HD11 LEU A 28 8.451 1.269 -3.308 1.00 1.51 H new ATOM 0 HD12 LEU A 28 10.161 1.704 -3.542 1.00 1.51 H new ATOM 0 HD13 LEU A 28 9.081 2.793 -2.640 1.00 1.51 H new ATOM 0 HD21 LEU A 28 6.682 2.450 -4.534 1.00 1.30 H new ATOM 0 HD22 LEU A 28 7.237 4.021 -3.907 1.00 1.30 H new ATOM 0 HD23 LEU A 28 7.089 3.765 -5.662 1.00 1.30 H new ATOM 428 N LEU A 29 9.969 7.122 -6.490 1.00 0.53 N ATOM 429 CA LEU A 29 10.808 8.298 -6.602 1.00 0.60 C ATOM 430 C LEU A 29 10.865 8.992 -5.250 1.00 0.63 C ATOM 431 O LEU A 29 9.873 9.558 -4.788 1.00 0.66 O ATOM 432 CB LEU A 29 10.250 9.237 -7.686 1.00 0.65 C ATOM 433 CG LEU A 29 11.216 10.304 -8.234 1.00 1.17 C ATOM 434 CD1 LEU A 29 11.489 11.395 -7.208 1.00 1.90 C ATOM 435 CD2 LEU A 29 12.519 9.660 -8.684 1.00 2.03 C ATOM 0 H LEU A 29 8.968 7.317 -6.478 1.00 0.53 H new ATOM 0 HA LEU A 29 11.819 8.013 -6.895 1.00 0.60 H new ATOM 0 HB2 LEU A 29 9.906 8.627 -8.521 1.00 0.65 H new ATOM 0 HB3 LEU A 29 9.375 9.745 -7.280 1.00 0.65 H new ATOM 0 HG LEU A 29 10.737 10.772 -9.094 1.00 1.17 H new ATOM 0 HD11 LEU A 29 12.175 12.129 -7.631 1.00 1.90 H new ATOM 0 HD12 LEU A 29 10.553 11.885 -6.940 1.00 1.90 H new ATOM 0 HD13 LEU A 29 11.935 10.953 -6.317 1.00 1.90 H new ATOM 0 HD21 LEU A 29 13.190 10.428 -9.069 1.00 2.03 H new ATOM 0 HD22 LEU A 29 12.988 9.158 -7.838 1.00 2.03 H new ATOM 0 HD23 LEU A 29 12.313 8.932 -9.469 1.00 2.03 H new ATOM 447 N TYR A 30 12.025 8.925 -4.616 1.00 0.65 N ATOM 448 CA TYR A 30 12.208 9.494 -3.291 1.00 0.72 C ATOM 449 C TYR A 30 13.680 9.788 -3.052 1.00 0.77 C ATOM 450 O TYR A 30 14.550 9.223 -3.715 1.00 0.82 O ATOM 451 CB TYR A 30 11.691 8.528 -2.218 1.00 0.72 C ATOM 452 CG TYR A 30 12.495 7.246 -2.092 1.00 0.69 C ATOM 453 CD1 TYR A 30 12.261 6.165 -2.933 1.00 0.65 C ATOM 454 CD2 TYR A 30 13.488 7.122 -1.127 1.00 0.80 C ATOM 455 CE1 TYR A 30 12.993 4.997 -2.817 1.00 0.71 C ATOM 456 CE2 TYR A 30 14.226 5.959 -1.005 1.00 0.88 C ATOM 457 CZ TYR A 30 13.977 4.900 -1.851 1.00 0.83 C ATOM 458 OH TYR A 30 14.705 3.738 -1.728 1.00 0.96 O ATOM 0 H TYR A 30 12.858 8.479 -5.001 1.00 0.65 H new ATOM 0 HA TYR A 30 11.641 10.423 -3.230 1.00 0.72 H new ATOM 0 HB2 TYR A 30 11.691 9.039 -1.255 1.00 0.72 H new ATOM 0 HB3 TYR A 30 10.656 8.273 -2.444 1.00 0.72 H new ATOM 0 HD1 TYR A 30 11.494 6.238 -3.690 1.00 0.65 H new ATOM 0 HD2 TYR A 30 13.687 7.949 -0.461 1.00 0.80 H new ATOM 0 HE1 TYR A 30 12.797 4.165 -3.478 1.00 0.71 H new ATOM 0 HE2 TYR A 30 14.994 5.881 -0.250 1.00 0.88 H new ATOM 0 HH TYR A 30 15.356 3.835 -1.002 1.00 0.96 H new ATOM 468 N SER A 31 13.950 10.674 -2.114 1.00 0.85 N ATOM 469 CA SER A 31 15.312 10.975 -1.726 1.00 0.97 C ATOM 470 C SER A 31 15.642 10.307 -0.393 1.00 0.88 C ATOM 471 O SER A 31 15.096 10.671 0.650 1.00 0.85 O ATOM 472 CB SER A 31 15.494 12.488 -1.648 1.00 1.20 C ATOM 473 OG SER A 31 14.321 13.112 -1.154 1.00 1.78 O ATOM 0 H SER A 31 13.240 11.200 -1.605 1.00 0.85 H new ATOM 0 HA SER A 31 16.001 10.581 -2.473 1.00 0.97 H new ATOM 0 HB2 SER A 31 16.338 12.724 -0.999 1.00 1.20 H new ATOM 0 HB3 SER A 31 15.732 12.881 -2.636 1.00 1.20 H new ATOM 0 HG SER A 31 14.482 13.438 -0.244 1.00 1.78 H new ATOM 479 N PRO A 32 16.536 9.302 -0.422 1.00 0.96 N ATOM 480 CA PRO A 32 16.893 8.509 0.765 1.00 0.99 C ATOM 481 C PRO A 32 17.435 9.357 1.918 1.00 1.01 C ATOM 482 O PRO A 32 17.300 8.991 3.089 1.00 1.05 O ATOM 483 CB PRO A 32 17.974 7.553 0.250 1.00 1.23 C ATOM 484 CG PRO A 32 17.770 7.495 -1.225 1.00 1.37 C ATOM 485 CD PRO A 32 17.268 8.852 -1.621 1.00 1.12 C ATOM 0 HA PRO A 32 16.019 8.007 1.181 1.00 0.99 H new ATOM 0 HB2 PRO A 32 18.972 7.917 0.496 1.00 1.23 H new ATOM 0 HB3 PRO A 32 17.874 6.566 0.701 1.00 1.23 H new ATOM 0 HG2 PRO A 32 18.701 7.257 -1.740 1.00 1.37 H new ATOM 0 HG3 PRO A 32 17.052 6.719 -1.490 1.00 1.37 H new ATOM 0 HD2 PRO A 32 18.086 9.527 -1.871 1.00 1.12 H new ATOM 0 HD3 PRO A 32 16.618 8.802 -2.495 1.00 1.12 H new ATOM 493 N GLU A 33 18.027 10.500 1.595 1.00 1.09 N ATOM 494 CA GLU A 33 18.586 11.379 2.613 1.00 1.26 C ATOM 495 C GLU A 33 17.481 12.039 3.437 1.00 1.23 C ATOM 496 O GLU A 33 17.728 12.533 4.536 1.00 1.39 O ATOM 497 CB GLU A 33 19.473 12.455 1.980 1.00 1.48 C ATOM 498 CG GLU A 33 18.777 13.284 0.912 1.00 1.99 C ATOM 499 CD GLU A 33 19.067 12.793 -0.488 1.00 2.43 C ATOM 500 OE1 GLU A 33 18.678 11.652 -0.809 1.00 2.83 O ATOM 501 OE2 GLU A 33 19.684 13.541 -1.274 1.00 2.96 O ATOM 0 H GLU A 33 18.132 10.839 0.639 1.00 1.09 H new ATOM 0 HA GLU A 33 19.196 10.765 3.276 1.00 1.26 H new ATOM 0 HB2 GLU A 33 19.834 13.121 2.764 1.00 1.48 H new ATOM 0 HB3 GLU A 33 20.348 11.977 1.540 1.00 1.48 H new ATOM 0 HG2 GLU A 33 17.701 13.262 1.085 1.00 1.99 H new ATOM 0 HG3 GLU A 33 19.093 14.323 1.001 1.00 1.99 H new ATOM 508 N ASP A 34 16.260 12.039 2.911 1.00 1.12 N ATOM 509 CA ASP A 34 15.144 12.701 3.580 1.00 1.23 C ATOM 510 C ASP A 34 14.486 11.799 4.612 1.00 1.17 C ATOM 511 O ASP A 34 13.645 12.250 5.391 1.00 1.38 O ATOM 512 CB ASP A 34 14.101 13.183 2.573 1.00 1.33 C ATOM 513 CG ASP A 34 14.450 14.536 1.993 1.00 1.71 C ATOM 514 OD1 ASP A 34 14.285 15.553 2.699 1.00 2.14 O ATOM 515 OD2 ASP A 34 14.901 14.595 0.837 1.00 2.22 O ATOM 0 H ASP A 34 16.018 11.590 2.027 1.00 1.12 H new ATOM 0 HA ASP A 34 15.559 13.565 4.098 1.00 1.23 H new ATOM 0 HB2 ASP A 34 14.014 12.455 1.766 1.00 1.33 H new ATOM 0 HB3 ASP A 34 13.127 13.238 3.059 1.00 1.33 H new ATOM 520 N ILE A 35 14.849 10.522 4.620 1.00 0.97 N ATOM 521 CA ILE A 35 14.350 9.616 5.643 1.00 0.97 C ATOM 522 C ILE A 35 15.426 9.342 6.688 1.00 1.02 C ATOM 523 O ILE A 35 15.124 9.065 7.846 1.00 1.09 O ATOM 524 CB ILE A 35 13.833 8.282 5.050 1.00 0.88 C ATOM 525 CG1 ILE A 35 14.953 7.528 4.322 1.00 0.78 C ATOM 526 CG2 ILE A 35 12.670 8.545 4.107 1.00 0.95 C ATOM 527 CD1 ILE A 35 14.530 6.178 3.779 1.00 0.82 C ATOM 0 H ILE A 35 15.478 10.096 3.939 1.00 0.97 H new ATOM 0 HA ILE A 35 13.503 10.112 6.118 1.00 0.97 H new ATOM 0 HB ILE A 35 13.488 7.655 5.872 1.00 0.88 H new ATOM 0 HG12 ILE A 35 15.316 8.143 3.498 1.00 0.78 H new ATOM 0 HG13 ILE A 35 15.789 7.388 5.008 1.00 0.78 H new ATOM 0 HG21 ILE A 35 12.314 7.600 3.696 1.00 0.95 H new ATOM 0 HG22 ILE A 35 11.861 9.030 4.653 1.00 0.95 H new ATOM 0 HG23 ILE A 35 12.999 9.193 3.295 1.00 0.95 H new ATOM 0 HD11 ILE A 35 15.375 5.706 3.278 1.00 0.82 H new ATOM 0 HD12 ILE A 35 14.195 5.544 4.600 1.00 0.82 H new ATOM 0 HD13 ILE A 35 13.715 6.311 3.068 1.00 0.82 H new ATOM 539 N GLY A 36 16.689 9.424 6.264 1.00 1.08 N ATOM 540 CA GLY A 36 17.812 9.293 7.183 1.00 1.25 C ATOM 541 C GLY A 36 17.917 7.916 7.816 1.00 1.17 C ATOM 542 O GLY A 36 18.689 7.714 8.756 1.00 1.40 O ATOM 0 H GLY A 36 16.955 9.580 5.292 1.00 1.08 H new ATOM 0 HA2 GLY A 36 18.737 9.510 6.648 1.00 1.25 H new ATOM 0 HA3 GLY A 36 17.716 10.040 7.971 1.00 1.25 H new ATOM 546 N GLY A 37 17.149 6.967 7.296 1.00 0.97 N ATOM 547 CA GLY A 37 17.147 5.628 7.844 1.00 0.96 C ATOM 548 C GLY A 37 16.246 5.501 9.058 1.00 0.88 C ATOM 549 O GLY A 37 16.651 4.957 10.086 1.00 1.05 O ATOM 0 H GLY A 37 16.525 7.104 6.501 1.00 0.97 H new ATOM 0 HA2 GLY A 37 16.820 4.925 7.078 1.00 0.96 H new ATOM 0 HA3 GLY A 37 18.164 5.350 8.119 1.00 0.96 H new ATOM 553 N LEU A 38 15.027 6.017 8.947 1.00 0.77 N ATOM 554 CA LEU A 38 14.046 5.881 10.014 1.00 0.83 C ATOM 555 C LEU A 38 13.271 4.582 9.838 1.00 0.66 C ATOM 556 O LEU A 38 13.175 4.061 8.727 1.00 0.67 O ATOM 557 CB LEU A 38 13.106 7.102 10.057 1.00 1.06 C ATOM 558 CG LEU A 38 12.542 7.590 8.714 1.00 1.05 C ATOM 559 CD1 LEU A 38 11.471 6.650 8.192 1.00 1.72 C ATOM 560 CD2 LEU A 38 11.983 9.000 8.857 1.00 1.20 C ATOM 0 H LEU A 38 14.696 6.532 8.131 1.00 0.77 H new ATOM 0 HA LEU A 38 14.565 5.843 10.972 1.00 0.83 H new ATOM 0 HB2 LEU A 38 12.267 6.862 10.711 1.00 1.06 H new ATOM 0 HB3 LEU A 38 13.644 7.929 10.520 1.00 1.06 H new ATOM 0 HG LEU A 38 13.358 7.603 7.992 1.00 1.05 H new ATOM 0 HD11 LEU A 38 11.092 7.023 7.241 1.00 1.72 H new ATOM 0 HD12 LEU A 38 11.897 5.657 8.049 1.00 1.72 H new ATOM 0 HD13 LEU A 38 10.654 6.594 8.911 1.00 1.72 H new ATOM 0 HD21 LEU A 38 11.587 9.333 7.898 1.00 1.20 H new ATOM 0 HD22 LEU A 38 11.185 9.001 9.600 1.00 1.20 H new ATOM 0 HD23 LEU A 38 12.777 9.675 9.176 1.00 1.20 H new ATOM 572 N ARG A 39 12.739 4.051 10.927 1.00 0.68 N ATOM 573 CA ARG A 39 12.054 2.766 10.878 1.00 0.59 C ATOM 574 C ARG A 39 10.611 2.931 10.422 1.00 0.52 C ATOM 575 O ARG A 39 9.848 3.726 10.978 1.00 0.62 O ATOM 576 CB ARG A 39 12.121 2.052 12.235 1.00 0.66 C ATOM 577 CG ARG A 39 11.456 2.810 13.373 1.00 0.76 C ATOM 578 CD ARG A 39 11.771 2.183 14.720 1.00 1.12 C ATOM 579 NE ARG A 39 10.947 2.741 15.791 1.00 2.00 N ATOM 580 CZ ARG A 39 11.368 3.634 16.686 1.00 2.70 C ATOM 581 NH1 ARG A 39 12.592 4.144 16.605 1.00 2.71 N ATOM 582 NH2 ARG A 39 10.552 4.029 17.654 1.00 3.77 N ATOM 0 H ARG A 39 12.767 4.485 11.850 1.00 0.68 H new ATOM 0 HA ARG A 39 12.568 2.144 10.146 1.00 0.59 H new ATOM 0 HB2 ARG A 39 11.650 1.073 12.141 1.00 0.66 H new ATOM 0 HB3 ARG A 39 13.166 1.879 12.491 1.00 0.66 H new ATOM 0 HG2 ARG A 39 11.792 3.847 13.366 1.00 0.76 H new ATOM 0 HG3 ARG A 39 10.377 2.824 13.221 1.00 0.76 H new ATOM 0 HD2 ARG A 39 11.612 1.106 14.664 1.00 1.12 H new ATOM 0 HD3 ARG A 39 12.824 2.338 14.955 1.00 1.12 H new ATOM 0 HE ARG A 39 9.980 2.424 15.858 1.00 2.00 H new ATOM 0 HH11 ARG A 39 13.217 3.853 15.854 1.00 2.71 H new ATOM 0 HH12 ARG A 39 12.907 4.827 17.294 1.00 2.71 H new ATOM 0 HH21 ARG A 39 9.607 3.649 17.711 1.00 3.77 H new ATOM 0 HH22 ARG A 39 10.869 4.712 18.342 1.00 3.77 H new ATOM 596 N SER A 40 10.250 2.179 9.401 1.00 0.45 N ATOM 597 CA SER A 40 8.910 2.213 8.858 1.00 0.50 C ATOM 598 C SER A 40 8.003 1.255 9.619 1.00 0.49 C ATOM 599 O SER A 40 8.474 0.354 10.312 1.00 0.48 O ATOM 600 CB SER A 40 8.955 1.849 7.374 1.00 0.56 C ATOM 601 OG SER A 40 9.816 0.745 7.150 1.00 0.50 O ATOM 0 H SER A 40 10.877 1.529 8.927 1.00 0.45 H new ATOM 0 HA SER A 40 8.503 3.218 8.966 1.00 0.50 H new ATOM 0 HB2 SER A 40 7.951 1.609 7.024 1.00 0.56 H new ATOM 0 HB3 SER A 40 9.298 2.706 6.795 1.00 0.56 H new ATOM 0 HG SER A 40 9.329 -0.089 7.316 1.00 0.50 H new ATOM 607 N SER A 41 6.702 1.462 9.497 1.00 0.59 N ATOM 608 CA SER A 41 5.735 0.615 10.167 1.00 0.68 C ATOM 609 C SER A 41 5.350 -0.545 9.259 1.00 0.65 C ATOM 610 O SER A 41 4.771 -0.343 8.191 1.00 0.66 O ATOM 611 CB SER A 41 4.508 1.441 10.546 1.00 0.85 C ATOM 612 OG SER A 41 4.889 2.590 11.293 1.00 1.54 O ATOM 0 H SER A 41 6.293 2.211 8.939 1.00 0.59 H new ATOM 0 HA SER A 41 6.173 0.207 11.078 1.00 0.68 H new ATOM 0 HB2 SER A 41 3.976 1.746 9.645 1.00 0.85 H new ATOM 0 HB3 SER A 41 3.820 0.832 11.132 1.00 0.85 H new ATOM 0 HG SER A 41 4.091 3.108 11.526 1.00 1.54 H new ATOM 618 N ALA A 42 5.713 -1.752 9.676 1.00 0.69 N ATOM 619 CA ALA A 42 5.503 -2.952 8.877 1.00 0.72 C ATOM 620 C ALA A 42 4.034 -3.160 8.532 1.00 0.63 C ATOM 621 O ALA A 42 3.209 -3.441 9.404 1.00 0.66 O ATOM 622 CB ALA A 42 6.048 -4.172 9.598 1.00 0.84 C ATOM 0 H ALA A 42 6.160 -1.926 10.576 1.00 0.69 H new ATOM 0 HA ALA A 42 6.045 -2.815 7.941 1.00 0.72 H new ATOM 0 HB1 ALA A 42 5.883 -5.060 8.987 1.00 0.84 H new ATOM 0 HB2 ALA A 42 7.117 -4.045 9.772 1.00 0.84 H new ATOM 0 HB3 ALA A 42 5.536 -4.289 10.553 1.00 0.84 H new ATOM 628 N LEU A 43 3.713 -3.024 7.259 1.00 0.59 N ATOM 629 CA LEU A 43 2.373 -3.310 6.778 1.00 0.54 C ATOM 630 C LEU A 43 2.403 -4.574 5.929 1.00 0.45 C ATOM 631 O LEU A 43 2.494 -4.516 4.703 1.00 0.51 O ATOM 632 CB LEU A 43 1.835 -2.126 5.966 1.00 0.65 C ATOM 633 CG LEU A 43 0.388 -2.265 5.480 1.00 0.83 C ATOM 634 CD1 LEU A 43 -0.571 -2.318 6.660 1.00 1.42 C ATOM 635 CD2 LEU A 43 0.025 -1.119 4.546 1.00 1.42 C ATOM 0 H LEU A 43 4.364 -2.716 6.537 1.00 0.59 H new ATOM 0 HA LEU A 43 1.708 -3.466 7.627 1.00 0.54 H new ATOM 0 HB2 LEU A 43 1.911 -1.225 6.575 1.00 0.65 H new ATOM 0 HB3 LEU A 43 2.479 -1.979 5.099 1.00 0.65 H new ATOM 0 HG LEU A 43 0.301 -3.200 4.926 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -1.593 -2.417 6.294 1.00 1.42 H new ATOM 0 HD12 LEU A 43 -0.327 -3.174 7.289 1.00 1.42 H new ATOM 0 HD13 LEU A 43 -0.481 -1.401 7.243 1.00 1.42 H new ATOM 0 HD21 LEU A 43 -1.006 -1.235 4.211 1.00 1.42 H new ATOM 0 HD22 LEU A 43 0.131 -0.172 5.074 1.00 1.42 H new ATOM 0 HD23 LEU A 43 0.690 -1.129 3.682 1.00 1.42 H new ATOM 647 N LYS A 44 2.344 -5.718 6.593 1.00 0.43 N ATOM 648 CA LYS A 44 2.384 -6.999 5.910 1.00 0.43 C ATOM 649 C LYS A 44 0.979 -7.570 5.814 1.00 0.41 C ATOM 650 O LYS A 44 0.340 -7.855 6.828 1.00 0.50 O ATOM 651 CB LYS A 44 3.327 -7.968 6.642 1.00 0.61 C ATOM 652 CG LYS A 44 3.631 -9.259 5.880 1.00 0.88 C ATOM 653 CD LYS A 44 2.530 -10.300 6.037 1.00 1.15 C ATOM 654 CE LYS A 44 2.869 -11.600 5.320 1.00 1.77 C ATOM 655 NZ LYS A 44 4.162 -12.169 5.781 1.00 2.43 N ATOM 0 H LYS A 44 2.268 -5.784 7.608 1.00 0.43 H new ATOM 0 HA LYS A 44 2.771 -6.857 4.901 1.00 0.43 H new ATOM 0 HB2 LYS A 44 4.266 -7.454 6.849 1.00 0.61 H new ATOM 0 HB3 LYS A 44 2.886 -8.225 7.605 1.00 0.61 H new ATOM 0 HG2 LYS A 44 3.763 -9.031 4.822 1.00 0.88 H new ATOM 0 HG3 LYS A 44 4.573 -9.675 6.236 1.00 0.88 H new ATOM 0 HD2 LYS A 44 2.369 -10.501 7.096 1.00 1.15 H new ATOM 0 HD3 LYS A 44 1.595 -9.901 5.643 1.00 1.15 H new ATOM 0 HE2 LYS A 44 2.073 -12.325 5.489 1.00 1.77 H new ATOM 0 HE3 LYS A 44 2.914 -11.420 4.246 1.00 1.77 H new ATOM 0 HZ1 LYS A 44 4.193 -13.184 5.558 1.00 2.43 H new ATOM 0 HZ2 LYS A 44 4.946 -11.684 5.299 1.00 2.43 H new ATOM 0 HZ3 LYS A 44 4.253 -12.037 6.809 1.00 2.43 H new ATOM 669 N GLY A 45 0.496 -7.710 4.594 1.00 0.37 N ATOM 670 CA GLY A 45 -0.813 -8.278 4.385 1.00 0.37 C ATOM 671 C GLY A 45 -1.249 -8.201 2.944 1.00 0.33 C ATOM 672 O GLY A 45 -0.433 -7.956 2.051 1.00 0.34 O ATOM 0 H GLY A 45 0.989 -7.440 3.743 1.00 0.37 H new ATOM 0 HA2 GLY A 45 -0.810 -9.320 4.706 1.00 0.37 H new ATOM 0 HA3 GLY A 45 -1.537 -7.755 5.009 1.00 0.37 H new ATOM 676 N ARG A 46 -2.539 -8.384 2.725 1.00 0.35 N ATOM 677 CA ARG A 46 -3.112 -8.356 1.390 1.00 0.36 C ATOM 678 C ARG A 46 -3.704 -6.977 1.114 1.00 0.34 C ATOM 679 O ARG A 46 -4.758 -6.623 1.642 1.00 0.48 O ATOM 680 CB ARG A 46 -4.184 -9.441 1.260 1.00 0.49 C ATOM 681 CG ARG A 46 -4.929 -9.425 -0.062 1.00 0.97 C ATOM 682 CD ARG A 46 -5.943 -10.549 -0.131 1.00 1.13 C ATOM 683 NE ARG A 46 -6.818 -10.426 -1.293 1.00 1.77 N ATOM 684 CZ ARG A 46 -7.231 -11.454 -2.029 1.00 2.26 C ATOM 685 NH1 ARG A 46 -6.811 -12.687 -1.770 1.00 2.15 N ATOM 686 NH2 ARG A 46 -8.057 -11.241 -3.040 1.00 3.27 N ATOM 0 H ARG A 46 -3.218 -8.556 3.466 1.00 0.35 H new ATOM 0 HA ARG A 46 -2.331 -8.554 0.655 1.00 0.36 H new ATOM 0 HB2 ARG A 46 -3.715 -10.417 1.388 1.00 0.49 H new ATOM 0 HB3 ARG A 46 -4.903 -9.324 2.071 1.00 0.49 H new ATOM 0 HG2 ARG A 46 -5.434 -8.467 -0.187 1.00 0.97 H new ATOM 0 HG3 ARG A 46 -4.219 -9.520 -0.884 1.00 0.97 H new ATOM 0 HD2 ARG A 46 -5.422 -11.506 -0.169 1.00 1.13 H new ATOM 0 HD3 ARG A 46 -6.545 -10.550 0.778 1.00 1.13 H new ATOM 0 HE ARG A 46 -7.133 -9.492 -1.557 1.00 1.77 H new ATOM 0 HH11 ARG A 46 -6.164 -12.854 -0.999 1.00 2.15 H new ATOM 0 HH12 ARG A 46 -7.135 -13.467 -2.342 1.00 2.15 H new ATOM 0 HH21 ARG A 46 -8.372 -10.294 -3.250 1.00 3.27 H new ATOM 0 HH22 ARG A 46 -8.379 -12.024 -3.609 1.00 3.27 H new ATOM 700 N HIS A 47 -3.008 -6.193 0.310 1.00 0.32 N ATOM 701 CA HIS A 47 -3.444 -4.835 0.006 1.00 0.45 C ATOM 702 C HIS A 47 -3.248 -4.520 -1.468 1.00 0.43 C ATOM 703 O HIS A 47 -2.299 -4.994 -2.091 1.00 0.46 O ATOM 704 CB HIS A 47 -2.664 -3.809 0.843 1.00 0.68 C ATOM 705 CG HIS A 47 -3.052 -3.758 2.289 1.00 1.01 C ATOM 706 ND1 HIS A 47 -4.012 -2.900 2.782 1.00 1.79 N ATOM 707 CD2 HIS A 47 -2.596 -4.459 3.357 1.00 1.21 C ATOM 708 CE1 HIS A 47 -4.126 -3.071 4.086 1.00 1.98 C ATOM 709 NE2 HIS A 47 -3.279 -4.008 4.458 1.00 1.57 N ATOM 0 H HIS A 47 -2.138 -6.470 -0.146 1.00 0.32 H new ATOM 0 HA HIS A 47 -4.504 -4.771 0.251 1.00 0.45 H new ATOM 0 HB2 HIS A 47 -1.600 -4.037 0.774 1.00 0.68 H new ATOM 0 HB3 HIS A 47 -2.807 -2.820 0.407 1.00 0.68 H new ATOM 0 HD2 HIS A 47 -1.838 -5.228 3.343 1.00 1.21 H new ATOM 0 HE1 HIS A 47 -4.800 -2.534 4.737 1.00 1.98 H new ATOM 0 HE2 HIS A 47 -3.151 -4.345 5.412 1.00 1.57 H new ATOM 718 N ASP A 48 -4.172 -3.746 -2.020 1.00 0.47 N ATOM 719 CA ASP A 48 -4.002 -3.169 -3.349 1.00 0.55 C ATOM 720 C ASP A 48 -2.983 -2.035 -3.269 1.00 0.48 C ATOM 721 O ASP A 48 -2.713 -1.536 -2.172 1.00 0.44 O ATOM 722 CB ASP A 48 -5.351 -2.654 -3.873 1.00 0.70 C ATOM 723 CG ASP A 48 -5.250 -1.916 -5.196 1.00 1.20 C ATOM 724 OD1 ASP A 48 -5.298 -2.570 -6.255 1.00 1.80 O ATOM 725 OD2 ASP A 48 -5.142 -0.672 -5.181 1.00 1.86 O ATOM 0 H ASP A 48 -5.052 -3.501 -1.566 1.00 0.47 H new ATOM 0 HA ASP A 48 -3.638 -3.928 -4.041 1.00 0.55 H new ATOM 0 HB2 ASP A 48 -6.032 -3.497 -3.989 1.00 0.70 H new ATOM 0 HB3 ASP A 48 -5.790 -1.989 -3.129 1.00 0.70 H new ATOM 730 N LEU A 49 -2.415 -1.631 -4.399 1.00 0.50 N ATOM 731 CA LEU A 49 -1.362 -0.622 -4.407 1.00 0.51 C ATOM 732 C LEU A 49 -1.828 0.656 -3.711 1.00 0.42 C ATOM 733 O LEU A 49 -1.157 1.161 -2.807 1.00 0.43 O ATOM 734 CB LEU A 49 -0.929 -0.312 -5.844 1.00 0.61 C ATOM 735 CG LEU A 49 0.269 0.631 -5.976 1.00 0.73 C ATOM 736 CD1 LEU A 49 1.503 0.020 -5.328 1.00 1.16 C ATOM 737 CD2 LEU A 49 0.531 0.944 -7.441 1.00 1.18 C ATOM 0 H LEU A 49 -2.666 -1.986 -5.322 1.00 0.50 H new ATOM 0 HA LEU A 49 -0.507 -1.020 -3.860 1.00 0.51 H new ATOM 0 HB2 LEU A 49 -0.689 -1.250 -6.344 1.00 0.61 H new ATOM 0 HB3 LEU A 49 -1.775 0.125 -6.375 1.00 0.61 H new ATOM 0 HG LEU A 49 0.039 1.562 -5.458 1.00 0.73 H new ATOM 0 HD11 LEU A 49 2.345 0.704 -5.432 1.00 1.16 H new ATOM 0 HD12 LEU A 49 1.308 -0.158 -4.270 1.00 1.16 H new ATOM 0 HD13 LEU A 49 1.741 -0.925 -5.817 1.00 1.16 H new ATOM 0 HD21 LEU A 49 1.386 1.616 -7.522 1.00 1.18 H new ATOM 0 HD22 LEU A 49 0.744 0.020 -7.978 1.00 1.18 H new ATOM 0 HD23 LEU A 49 -0.348 1.421 -7.874 1.00 1.18 H new ATOM 749 N GLN A 50 -2.994 1.157 -4.118 1.00 0.41 N ATOM 750 CA GLN A 50 -3.568 2.367 -3.535 1.00 0.42 C ATOM 751 C GLN A 50 -3.812 2.196 -2.040 1.00 0.39 C ATOM 752 O GLN A 50 -3.604 3.123 -1.256 1.00 0.41 O ATOM 753 CB GLN A 50 -4.881 2.722 -4.236 1.00 0.52 C ATOM 754 CG GLN A 50 -4.706 3.183 -5.673 1.00 1.21 C ATOM 755 CD GLN A 50 -6.030 3.435 -6.371 1.00 1.67 C ATOM 756 OE1 GLN A 50 -6.139 4.311 -7.229 1.00 2.15 O ATOM 757 NE2 GLN A 50 -7.045 2.663 -6.015 1.00 2.39 N ATOM 0 H GLN A 50 -3.562 0.739 -4.855 1.00 0.41 H new ATOM 0 HA GLN A 50 -2.853 3.177 -3.676 1.00 0.42 H new ATOM 0 HB2 GLN A 50 -5.536 1.851 -4.221 1.00 0.52 H new ATOM 0 HB3 GLN A 50 -5.382 3.508 -3.671 1.00 0.52 H new ATOM 0 HG2 GLN A 50 -4.112 4.097 -5.688 1.00 1.21 H new ATOM 0 HG3 GLN A 50 -4.145 2.430 -6.227 1.00 1.21 H new ATOM 0 HE21 GLN A 50 -6.915 1.948 -5.300 1.00 2.39 H new ATOM 0 HE22 GLN A 50 -7.957 2.784 -6.456 1.00 2.39 H new ATOM 766 N SER A 51 -4.251 1.005 -1.658 1.00 0.41 N ATOM 767 CA SER A 51 -4.517 0.694 -0.263 1.00 0.46 C ATOM 768 C SER A 51 -3.234 0.789 0.558 1.00 0.41 C ATOM 769 O SER A 51 -3.182 1.486 1.575 1.00 0.43 O ATOM 770 CB SER A 51 -5.113 -0.715 -0.145 1.00 0.57 C ATOM 771 OG SER A 51 -5.347 -1.073 1.208 1.00 1.33 O ATOM 0 H SER A 51 -4.431 0.234 -2.301 1.00 0.41 H new ATOM 0 HA SER A 51 -5.233 1.418 0.126 1.00 0.46 H new ATOM 0 HB2 SER A 51 -6.049 -0.762 -0.701 1.00 0.57 H new ATOM 0 HB3 SER A 51 -4.435 -1.437 -0.601 1.00 0.57 H new ATOM 0 HG SER A 51 -4.680 -1.733 1.492 1.00 1.33 H new ATOM 777 N SER A 52 -2.201 0.103 0.092 1.00 0.40 N ATOM 778 CA SER A 52 -0.934 0.037 0.801 1.00 0.43 C ATOM 779 C SER A 52 -0.305 1.424 0.940 1.00 0.41 C ATOM 780 O SER A 52 0.073 1.832 2.038 1.00 0.45 O ATOM 781 CB SER A 52 0.025 -0.907 0.070 1.00 0.49 C ATOM 782 OG SER A 52 1.186 -1.161 0.838 1.00 1.21 O ATOM 0 H SER A 52 -2.218 -0.420 -0.783 1.00 0.40 H new ATOM 0 HA SER A 52 -1.124 -0.348 1.803 1.00 0.43 H new ATOM 0 HB2 SER A 52 -0.482 -1.847 -0.147 1.00 0.49 H new ATOM 0 HB3 SER A 52 0.309 -0.470 -0.887 1.00 0.49 H new ATOM 0 HG SER A 52 1.901 -1.487 0.252 1.00 1.21 H new ATOM 788 N LEU A 53 -0.223 2.153 -0.171 1.00 0.39 N ATOM 789 CA LEU A 53 0.457 3.446 -0.201 1.00 0.41 C ATOM 790 C LEU A 53 -0.170 4.449 0.762 1.00 0.40 C ATOM 791 O LEU A 53 0.536 5.223 1.405 1.00 0.46 O ATOM 792 CB LEU A 53 0.442 4.019 -1.620 1.00 0.44 C ATOM 793 CG LEU A 53 1.229 3.220 -2.658 1.00 0.51 C ATOM 794 CD1 LEU A 53 1.088 3.852 -4.032 1.00 0.70 C ATOM 795 CD2 LEU A 53 2.696 3.128 -2.266 1.00 0.56 C ATOM 0 H LEU A 53 -0.621 1.869 -1.066 1.00 0.39 H new ATOM 0 HA LEU A 53 1.485 3.275 0.118 1.00 0.41 H new ATOM 0 HB2 LEU A 53 -0.593 4.094 -1.953 1.00 0.44 H new ATOM 0 HB3 LEU A 53 0.841 5.033 -1.588 1.00 0.44 H new ATOM 0 HG LEU A 53 0.819 2.211 -2.695 1.00 0.51 H new ATOM 0 HD11 LEU A 53 1.654 3.271 -4.760 1.00 0.70 H new ATOM 0 HD12 LEU A 53 0.037 3.867 -4.319 1.00 0.70 H new ATOM 0 HD13 LEU A 53 1.472 4.872 -4.004 1.00 0.70 H new ATOM 0 HD21 LEU A 53 3.238 2.555 -3.018 1.00 0.56 H new ATOM 0 HD22 LEU A 53 3.118 4.131 -2.199 1.00 0.56 H new ATOM 0 HD23 LEU A 53 2.784 2.632 -1.299 1.00 0.56 H new ATOM 807 N ARG A 54 -1.491 4.434 0.863 1.00 0.38 N ATOM 808 CA ARG A 54 -2.186 5.398 1.705 1.00 0.43 C ATOM 809 C ARG A 54 -1.974 5.084 3.183 1.00 0.42 C ATOM 810 O ARG A 54 -1.634 5.969 3.969 1.00 0.48 O ATOM 811 CB ARG A 54 -3.682 5.424 1.381 1.00 0.51 C ATOM 812 CG ARG A 54 -4.441 6.499 2.138 1.00 1.10 C ATOM 813 CD ARG A 54 -5.899 6.554 1.721 1.00 1.31 C ATOM 814 NE ARG A 54 -6.610 7.654 2.367 1.00 1.87 N ATOM 815 CZ ARG A 54 -7.717 8.214 1.884 1.00 2.48 C ATOM 816 NH1 ARG A 54 -8.251 7.767 0.753 1.00 2.70 N ATOM 817 NH2 ARG A 54 -8.292 9.222 2.528 1.00 3.38 N ATOM 0 H ARG A 54 -2.098 3.773 0.378 1.00 0.38 H new ATOM 0 HA ARG A 54 -1.768 6.383 1.498 1.00 0.43 H new ATOM 0 HB2 ARG A 54 -3.812 5.582 0.310 1.00 0.51 H new ATOM 0 HB3 ARG A 54 -4.114 4.451 1.614 1.00 0.51 H new ATOM 0 HG2 ARG A 54 -4.376 6.306 3.209 1.00 1.10 H new ATOM 0 HG3 ARG A 54 -3.975 7.468 1.960 1.00 1.10 H new ATOM 0 HD2 ARG A 54 -5.963 6.667 0.639 1.00 1.31 H new ATOM 0 HD3 ARG A 54 -6.384 5.611 1.973 1.00 1.31 H new ATOM 0 HE ARG A 54 -6.235 8.016 3.244 1.00 1.87 H new ATOM 0 HH11 ARG A 54 -7.813 6.993 0.253 1.00 2.70 H new ATOM 0 HH12 ARG A 54 -9.099 8.197 0.384 1.00 2.70 H new ATOM 0 HH21 ARG A 54 -7.886 9.570 3.396 1.00 3.38 H new ATOM 0 HH22 ARG A 54 -9.140 9.648 2.155 1.00 3.38 H new ATOM 831 N ILE A 55 -2.155 3.820 3.546 1.00 0.42 N ATOM 832 CA ILE A 55 -2.036 3.395 4.936 1.00 0.47 C ATOM 833 C ILE A 55 -0.599 3.551 5.435 1.00 0.49 C ATOM 834 O ILE A 55 -0.364 3.933 6.584 1.00 0.59 O ATOM 835 CB ILE A 55 -2.489 1.926 5.111 1.00 0.56 C ATOM 836 CG1 ILE A 55 -3.938 1.752 4.639 1.00 0.59 C ATOM 837 CG2 ILE A 55 -2.346 1.478 6.561 1.00 0.66 C ATOM 838 CD1 ILE A 55 -4.936 2.611 5.388 1.00 1.24 C ATOM 0 H ILE A 55 -2.385 3.069 2.895 1.00 0.42 H new ATOM 0 HA ILE A 55 -2.688 4.036 5.529 1.00 0.47 H new ATOM 0 HB ILE A 55 -1.843 1.298 4.497 1.00 0.56 H new ATOM 0 HG12 ILE A 55 -3.995 1.989 3.577 1.00 0.59 H new ATOM 0 HG13 ILE A 55 -4.222 0.705 4.747 1.00 0.59 H new ATOM 0 HG21 ILE A 55 -2.671 0.442 6.655 1.00 0.66 H new ATOM 0 HG22 ILE A 55 -1.303 1.560 6.866 1.00 0.66 H new ATOM 0 HG23 ILE A 55 -2.962 2.111 7.200 1.00 0.66 H new ATOM 0 HD11 ILE A 55 -5.937 2.431 4.996 1.00 1.24 H new ATOM 0 HD12 ILE A 55 -4.910 2.358 6.448 1.00 1.24 H new ATOM 0 HD13 ILE A 55 -4.680 3.663 5.259 1.00 1.24 H new ATOM 850 N LEU A 56 0.356 3.275 4.556 1.00 0.45 N ATOM 851 CA LEU A 56 1.769 3.367 4.898 1.00 0.52 C ATOM 852 C LEU A 56 2.206 4.824 5.043 1.00 0.53 C ATOM 853 O LEU A 56 3.112 5.137 5.814 1.00 0.65 O ATOM 854 CB LEU A 56 2.614 2.668 3.827 1.00 0.57 C ATOM 855 CG LEU A 56 4.113 2.572 4.129 1.00 0.75 C ATOM 856 CD1 LEU A 56 4.359 1.731 5.374 1.00 1.04 C ATOM 857 CD2 LEU A 56 4.860 1.991 2.939 1.00 1.63 C ATOM 0 H LEU A 56 0.176 2.984 3.595 1.00 0.45 H new ATOM 0 HA LEU A 56 1.921 2.871 5.856 1.00 0.52 H new ATOM 0 HB2 LEU A 56 2.225 1.660 3.683 1.00 0.57 H new ATOM 0 HB3 LEU A 56 2.484 3.198 2.883 1.00 0.57 H new ATOM 0 HG LEU A 56 4.489 3.578 4.316 1.00 0.75 H new ATOM 0 HD11 LEU A 56 5.430 1.676 5.570 1.00 1.04 H new ATOM 0 HD12 LEU A 56 3.857 2.188 6.227 1.00 1.04 H new ATOM 0 HD13 LEU A 56 3.967 0.726 5.218 1.00 1.04 H new ATOM 0 HD21 LEU A 56 5.923 1.930 3.171 1.00 1.63 H new ATOM 0 HD22 LEU A 56 4.478 0.993 2.722 1.00 1.63 H new ATOM 0 HD23 LEU A 56 4.715 2.632 2.070 1.00 1.63 H new ATOM 869 N LEU A 57 1.555 5.709 4.294 1.00 0.51 N ATOM 870 CA LEU A 57 1.894 7.127 4.316 1.00 0.63 C ATOM 871 C LEU A 57 1.476 7.768 5.634 1.00 0.72 C ATOM 872 O LEU A 57 2.223 8.560 6.214 1.00 1.16 O ATOM 873 CB LEU A 57 1.203 7.862 3.170 1.00 0.80 C ATOM 874 CG LEU A 57 1.616 9.323 3.012 1.00 1.29 C ATOM 875 CD1 LEU A 57 2.941 9.418 2.272 1.00 1.68 C ATOM 876 CD2 LEU A 57 0.532 10.115 2.305 1.00 2.17 C ATOM 0 H LEU A 57 0.790 5.468 3.664 1.00 0.51 H new ATOM 0 HA LEU A 57 2.975 7.206 4.204 1.00 0.63 H new ATOM 0 HB2 LEU A 57 1.413 7.336 2.239 1.00 0.80 H new ATOM 0 HB3 LEU A 57 0.125 7.817 3.325 1.00 0.80 H new ATOM 0 HG LEU A 57 1.749 9.758 4.003 1.00 1.29 H new ATOM 0 HD11 LEU A 57 3.224 10.465 2.166 1.00 1.68 H new ATOM 0 HD12 LEU A 57 3.711 8.889 2.834 1.00 1.68 H new ATOM 0 HD13 LEU A 57 2.839 8.968 1.285 1.00 1.68 H new ATOM 0 HD21 LEU A 57 0.848 11.153 2.203 1.00 2.17 H new ATOM 0 HD22 LEU A 57 0.357 9.690 1.316 1.00 2.17 H new ATOM 0 HD23 LEU A 57 -0.389 10.071 2.887 1.00 2.17 H new ATOM 888 N GLN A 58 0.264 7.440 6.073 1.00 0.61 N ATOM 889 CA GLN A 58 -0.311 7.981 7.305 1.00 0.79 C ATOM 890 C GLN A 58 0.674 7.927 8.473 1.00 1.05 C ATOM 891 O GLN A 58 0.948 6.861 9.022 1.00 2.03 O ATOM 892 CB GLN A 58 -1.582 7.212 7.658 1.00 0.90 C ATOM 893 CG GLN A 58 -2.685 7.364 6.624 1.00 1.29 C ATOM 894 CD GLN A 58 -3.859 6.433 6.863 1.00 1.60 C ATOM 895 OE1 GLN A 58 -4.542 6.029 5.925 1.00 2.30 O ATOM 896 NE2 GLN A 58 -4.100 6.082 8.117 1.00 1.85 N ATOM 0 H GLN A 58 -0.351 6.789 5.584 1.00 0.61 H new ATOM 0 HA GLN A 58 -0.548 9.030 7.128 1.00 0.79 H new ATOM 0 HB2 GLN A 58 -1.340 6.155 7.768 1.00 0.90 H new ATOM 0 HB3 GLN A 58 -1.950 7.557 8.624 1.00 0.90 H new ATOM 0 HG2 GLN A 58 -3.040 8.395 6.629 1.00 1.29 H new ATOM 0 HG3 GLN A 58 -2.274 7.173 5.633 1.00 1.29 H new ATOM 0 HE21 GLN A 58 -3.510 6.439 8.869 1.00 1.85 H new ATOM 0 HE22 GLN A 58 -4.876 5.455 8.331 1.00 1.85 H new ATOM 905 N GLY A 59 1.202 9.086 8.850 1.00 0.97 N ATOM 906 CA GLY A 59 2.128 9.150 9.963 1.00 1.28 C ATOM 907 C GLY A 59 3.475 9.735 9.582 1.00 1.13 C ATOM 908 O GLY A 59 4.211 10.214 10.442 1.00 1.42 O ATOM 0 H GLY A 59 1.005 9.982 8.404 1.00 0.97 H new ATOM 0 HA2 GLY A 59 1.689 9.751 10.759 1.00 1.28 H new ATOM 0 HA3 GLY A 59 2.274 8.147 10.365 1.00 1.28 H new ATOM 912 N THR A 60 3.797 9.713 8.294 1.00 0.95 N ATOM 913 CA THR A 60 5.109 10.165 7.836 1.00 0.99 C ATOM 914 C THR A 60 5.118 11.648 7.464 1.00 1.06 C ATOM 915 O THR A 60 6.178 12.222 7.213 1.00 1.25 O ATOM 916 CB THR A 60 5.581 9.349 6.618 1.00 1.04 C ATOM 917 OG1 THR A 60 4.633 9.480 5.551 1.00 0.99 O ATOM 918 CG2 THR A 60 5.743 7.878 6.974 1.00 1.21 C ATOM 0 H THR A 60 3.175 9.390 7.553 1.00 0.95 H new ATOM 0 HA THR A 60 5.790 10.013 8.674 1.00 0.99 H new ATOM 0 HB THR A 60 6.550 9.737 6.303 1.00 1.04 H new ATOM 0 HG1 THR A 60 3.855 8.913 5.733 1.00 0.99 H new ATOM 0 HG21 THR A 60 6.077 7.326 6.096 1.00 1.21 H new ATOM 0 HG22 THR A 60 6.481 7.775 7.770 1.00 1.21 H new ATOM 0 HG23 THR A 60 4.787 7.478 7.312 1.00 1.21 H new ATOM 926 N GLY A 61 3.939 12.269 7.444 1.00 1.08 N ATOM 927 CA GLY A 61 3.836 13.670 7.062 1.00 1.32 C ATOM 928 C GLY A 61 4.238 13.931 5.618 1.00 1.26 C ATOM 929 O GLY A 61 4.506 15.071 5.237 1.00 1.35 O ATOM 0 H GLY A 61 3.052 11.826 7.686 1.00 1.08 H new ATOM 0 HA2 GLY A 61 2.810 14.006 7.213 1.00 1.32 H new ATOM 0 HA3 GLY A 61 4.467 14.266 7.721 1.00 1.32 H new ATOM 933 N LEU A 62 4.276 12.880 4.815 1.00 1.16 N ATOM 934 CA LEU A 62 4.692 12.994 3.427 1.00 1.11 C ATOM 935 C LEU A 62 3.488 12.891 2.495 1.00 1.07 C ATOM 936 O LEU A 62 2.369 12.645 2.939 1.00 1.14 O ATOM 937 CB LEU A 62 5.714 11.903 3.095 1.00 1.10 C ATOM 938 CG LEU A 62 6.997 11.939 3.934 1.00 1.19 C ATOM 939 CD1 LEU A 62 7.891 10.754 3.600 1.00 1.23 C ATOM 940 CD2 LEU A 62 7.740 13.249 3.709 1.00 1.28 C ATOM 0 H LEU A 62 4.023 11.935 5.102 1.00 1.16 H new ATOM 0 HA LEU A 62 5.156 13.970 3.282 1.00 1.11 H new ATOM 0 HB2 LEU A 62 5.240 10.930 3.226 1.00 1.10 H new ATOM 0 HB3 LEU A 62 5.984 11.987 2.042 1.00 1.10 H new ATOM 0 HG LEU A 62 6.722 11.872 4.987 1.00 1.19 H new ATOM 0 HD11 LEU A 62 8.796 10.799 4.206 1.00 1.23 H new ATOM 0 HD12 LEU A 62 7.359 9.826 3.810 1.00 1.23 H new ATOM 0 HD13 LEU A 62 8.160 10.787 2.544 1.00 1.23 H new ATOM 0 HD21 LEU A 62 8.649 13.260 4.311 1.00 1.28 H new ATOM 0 HD22 LEU A 62 8.002 13.342 2.655 1.00 1.28 H new ATOM 0 HD23 LEU A 62 7.102 14.084 4.000 1.00 1.28 H new ATOM 952 N ARG A 63 3.724 13.111 1.211 1.00 1.01 N ATOM 953 CA ARG A 63 2.686 12.981 0.197 1.00 1.03 C ATOM 954 C ARG A 63 3.068 11.913 -0.821 1.00 0.92 C ATOM 955 O ARG A 63 4.183 11.918 -1.342 1.00 0.87 O ATOM 956 CB ARG A 63 2.474 14.315 -0.530 1.00 1.15 C ATOM 957 CG ARG A 63 1.491 14.218 -1.687 1.00 1.51 C ATOM 958 CD ARG A 63 1.514 15.461 -2.563 1.00 1.78 C ATOM 959 NE ARG A 63 0.679 15.300 -3.752 1.00 2.51 N ATOM 960 CZ ARG A 63 0.795 16.041 -4.855 1.00 3.28 C ATOM 961 NH1 ARG A 63 1.698 17.012 -4.914 1.00 3.53 N ATOM 962 NH2 ARG A 63 0.007 15.813 -5.899 1.00 4.21 N ATOM 0 H ARG A 63 4.635 13.383 0.842 1.00 1.01 H new ATOM 0 HA ARG A 63 1.761 12.692 0.697 1.00 1.03 H new ATOM 0 HB2 ARG A 63 2.114 15.057 0.183 1.00 1.15 H new ATOM 0 HB3 ARG A 63 3.433 14.673 -0.905 1.00 1.15 H new ATOM 0 HG2 ARG A 63 1.730 13.344 -2.293 1.00 1.51 H new ATOM 0 HG3 ARG A 63 0.485 14.069 -1.296 1.00 1.51 H new ATOM 0 HD2 ARG A 63 1.166 16.318 -1.987 1.00 1.78 H new ATOM 0 HD3 ARG A 63 2.539 15.675 -2.865 1.00 1.78 H new ATOM 0 HE ARG A 63 -0.038 14.575 -3.737 1.00 2.51 H new ATOM 0 HH11 ARG A 63 2.305 17.193 -4.115 1.00 3.53 H new ATOM 0 HH12 ARG A 63 1.785 17.577 -5.759 1.00 3.53 H new ATOM 0 HH21 ARG A 63 -0.690 15.069 -5.859 1.00 4.21 H new ATOM 0 HH22 ARG A 63 0.098 16.382 -6.741 1.00 4.21 H new ATOM 976 N TYR A 64 2.146 11.005 -1.101 1.00 0.96 N ATOM 977 CA TYR A 64 2.375 9.998 -2.124 1.00 0.91 C ATOM 978 C TYR A 64 1.679 10.406 -3.421 1.00 0.89 C ATOM 979 O TYR A 64 0.463 10.606 -3.460 1.00 0.94 O ATOM 980 CB TYR A 64 1.905 8.605 -1.659 1.00 0.92 C ATOM 981 CG TYR A 64 0.401 8.406 -1.623 1.00 0.97 C ATOM 982 CD1 TYR A 64 -0.379 8.984 -0.631 1.00 1.02 C ATOM 983 CD2 TYR A 64 -0.239 7.636 -2.589 1.00 1.06 C ATOM 984 CE1 TYR A 64 -1.749 8.805 -0.601 1.00 1.14 C ATOM 985 CE2 TYR A 64 -1.610 7.453 -2.565 1.00 1.18 C ATOM 986 CZ TYR A 64 -2.359 8.040 -1.569 1.00 1.20 C ATOM 987 OH TYR A 64 -3.724 7.864 -1.545 1.00 1.37 O ATOM 0 H TYR A 64 1.239 10.945 -0.638 1.00 0.96 H new ATOM 0 HA TYR A 64 3.448 9.932 -2.306 1.00 0.91 H new ATOM 0 HB2 TYR A 64 2.338 7.854 -2.320 1.00 0.92 H new ATOM 0 HB3 TYR A 64 2.303 8.420 -0.661 1.00 0.92 H new ATOM 0 HD1 TYR A 64 0.094 9.585 0.132 1.00 1.02 H new ATOM 0 HD2 TYR A 64 0.345 7.173 -3.371 1.00 1.06 H new ATOM 0 HE1 TYR A 64 -2.339 9.264 0.179 1.00 1.14 H new ATOM 0 HE2 TYR A 64 -2.091 6.853 -3.323 1.00 1.18 H new ATOM 0 HH TYR A 64 -3.994 7.299 -2.299 1.00 1.37 H new ATOM 997 N GLN A 65 2.460 10.589 -4.465 1.00 0.90 N ATOM 998 CA GLN A 65 1.904 10.863 -5.777 1.00 0.93 C ATOM 999 C GLN A 65 1.909 9.580 -6.595 1.00 0.87 C ATOM 1000 O GLN A 65 2.968 9.083 -6.977 1.00 0.86 O ATOM 1001 CB GLN A 65 2.714 11.964 -6.478 1.00 1.03 C ATOM 1002 CG GLN A 65 1.990 12.635 -7.641 1.00 1.59 C ATOM 1003 CD GLN A 65 1.968 11.807 -8.917 1.00 2.07 C ATOM 1004 OE1 GLN A 65 1.011 11.865 -9.688 1.00 2.64 O ATOM 1005 NE2 GLN A 65 3.031 11.055 -9.166 1.00 2.63 N ATOM 0 H GLN A 65 3.479 10.554 -4.433 1.00 0.90 H new ATOM 0 HA GLN A 65 0.878 11.217 -5.676 1.00 0.93 H new ATOM 0 HB2 GLN A 65 2.981 12.725 -5.744 1.00 1.03 H new ATOM 0 HB3 GLN A 65 3.646 11.535 -6.845 1.00 1.03 H new ATOM 0 HG2 GLN A 65 0.964 12.850 -7.342 1.00 1.59 H new ATOM 0 HG3 GLN A 65 2.468 13.592 -7.849 1.00 1.59 H new ATOM 0 HE21 GLN A 65 3.806 11.032 -8.503 1.00 2.63 H new ATOM 0 HE22 GLN A 65 3.074 10.499 -10.020 1.00 2.63 H new ATOM 1014 N ILE A 66 0.729 9.032 -6.828 1.00 0.88 N ATOM 1015 CA ILE A 66 0.600 7.797 -7.584 1.00 0.86 C ATOM 1016 C ILE A 66 0.058 8.081 -8.982 1.00 0.98 C ATOM 1017 O ILE A 66 -1.078 8.524 -9.156 1.00 1.11 O ATOM 1018 CB ILE A 66 -0.293 6.759 -6.853 1.00 0.92 C ATOM 1019 CG1 ILE A 66 -0.509 5.520 -7.732 1.00 1.02 C ATOM 1020 CG2 ILE A 66 -1.622 7.374 -6.438 1.00 1.28 C ATOM 1021 CD1 ILE A 66 -1.316 4.427 -7.064 1.00 1.13 C ATOM 0 H ILE A 66 -0.156 9.423 -6.504 1.00 0.88 H new ATOM 0 HA ILE A 66 1.596 7.363 -7.673 1.00 0.86 H new ATOM 0 HB ILE A 66 0.223 6.447 -5.945 1.00 0.92 H new ATOM 0 HG12 ILE A 66 -1.014 5.821 -8.650 1.00 1.02 H new ATOM 0 HG13 ILE A 66 0.462 5.117 -8.020 1.00 1.02 H new ATOM 0 HG21 ILE A 66 -2.227 6.624 -5.928 1.00 1.28 H new ATOM 0 HG22 ILE A 66 -1.441 8.212 -5.765 1.00 1.28 H new ATOM 0 HG23 ILE A 66 -2.152 7.727 -7.323 1.00 1.28 H new ATOM 0 HD11 ILE A 66 -1.425 3.586 -7.748 1.00 1.13 H new ATOM 0 HD12 ILE A 66 -0.803 4.096 -6.161 1.00 1.13 H new ATOM 0 HD13 ILE A 66 -2.302 4.811 -6.801 1.00 1.13 H new ATOM 1033 N ASP A 67 0.896 7.850 -9.976 1.00 1.04 N ATOM 1034 CA ASP A 67 0.531 8.105 -11.358 1.00 1.25 C ATOM 1035 C ASP A 67 0.904 6.907 -12.223 1.00 1.20 C ATOM 1036 O ASP A 67 2.067 6.735 -12.589 1.00 1.13 O ATOM 1037 CB ASP A 67 1.235 9.368 -11.863 1.00 1.45 C ATOM 1038 CG ASP A 67 0.717 9.828 -13.211 1.00 1.82 C ATOM 1039 OD1 ASP A 67 -0.240 10.635 -13.239 1.00 2.29 O ATOM 1040 OD2 ASP A 67 1.276 9.410 -14.244 1.00 2.28 O ATOM 0 H ASP A 67 1.840 7.484 -9.851 1.00 1.04 H new ATOM 0 HA ASP A 67 -0.546 8.260 -11.419 1.00 1.25 H new ATOM 0 HB2 ASP A 67 1.102 10.168 -11.135 1.00 1.45 H new ATOM 0 HB3 ASP A 67 2.306 9.178 -11.936 1.00 1.45 H new ATOM 1045 N GLY A 68 -0.084 6.077 -12.530 1.00 1.28 N ATOM 1046 CA GLY A 68 0.166 4.873 -13.300 1.00 1.30 C ATOM 1047 C GLY A 68 1.045 3.883 -12.559 1.00 1.14 C ATOM 1048 O GLY A 68 0.601 3.235 -11.611 1.00 1.18 O ATOM 0 H GLY A 68 -1.057 6.216 -12.259 1.00 1.28 H new ATOM 0 HA2 GLY A 68 -0.784 4.398 -13.545 1.00 1.30 H new ATOM 0 HA3 GLY A 68 0.641 5.141 -14.244 1.00 1.30 H new ATOM 1052 N ASN A 69 2.296 3.777 -12.989 1.00 1.03 N ATOM 1053 CA ASN A 69 3.261 2.889 -12.347 1.00 0.94 C ATOM 1054 C ASN A 69 4.326 3.710 -11.641 1.00 0.75 C ATOM 1055 O ASN A 69 5.319 3.179 -11.136 1.00 0.69 O ATOM 1056 CB ASN A 69 3.911 1.956 -13.378 1.00 1.06 C ATOM 1057 CG ASN A 69 4.775 2.692 -14.388 1.00 1.67 C ATOM 1058 OD1 ASN A 69 4.274 3.219 -15.381 1.00 2.35 O ATOM 1059 ND2 ASN A 69 6.080 2.714 -14.161 1.00 2.29 N ATOM 0 H ASN A 69 2.669 4.297 -13.783 1.00 1.03 H new ATOM 0 HA ASN A 69 2.736 2.276 -11.615 1.00 0.94 H new ATOM 0 HB2 ASN A 69 4.521 1.218 -12.857 1.00 1.06 H new ATOM 0 HB3 ASN A 69 3.130 1.409 -13.907 1.00 1.06 H new ATOM 0 HD21 ASN A 69 6.705 3.178 -14.820 1.00 2.29 H new ATOM 0 HD22 ASN A 69 6.460 2.267 -13.327 1.00 2.29 H new ATOM 1066 N THR A 70 4.097 5.011 -11.596 1.00 0.74 N ATOM 1067 CA THR A 70 5.047 5.936 -11.018 1.00 0.68 C ATOM 1068 C THR A 70 4.561 6.422 -9.656 1.00 0.63 C ATOM 1069 O THR A 70 3.482 7.002 -9.544 1.00 0.71 O ATOM 1070 CB THR A 70 5.244 7.149 -11.947 1.00 0.85 C ATOM 1071 OG1 THR A 70 5.416 6.700 -13.300 1.00 0.97 O ATOM 1072 CG2 THR A 70 6.452 7.973 -11.525 1.00 0.89 C ATOM 0 H THR A 70 3.251 5.451 -11.958 1.00 0.74 H new ATOM 0 HA THR A 70 5.996 5.414 -10.895 1.00 0.68 H new ATOM 0 HB THR A 70 4.358 7.779 -11.877 1.00 0.85 H new ATOM 0 HG1 THR A 70 5.539 7.474 -13.888 1.00 0.97 H new ATOM 0 HG21 THR A 70 6.566 8.822 -12.199 1.00 0.89 H new ATOM 0 HG22 THR A 70 6.308 8.334 -10.507 1.00 0.89 H new ATOM 0 HG23 THR A 70 7.348 7.353 -11.567 1.00 0.89 H new ATOM 1080 N VAL A 71 5.350 6.168 -8.625 1.00 0.56 N ATOM 1081 CA VAL A 71 5.016 6.609 -7.284 1.00 0.58 C ATOM 1082 C VAL A 71 6.060 7.606 -6.801 1.00 0.57 C ATOM 1083 O VAL A 71 7.253 7.308 -6.779 1.00 0.57 O ATOM 1084 CB VAL A 71 4.940 5.425 -6.294 1.00 0.60 C ATOM 1085 CG1 VAL A 71 4.516 5.902 -4.911 1.00 0.68 C ATOM 1086 CG2 VAL A 71 3.989 4.353 -6.806 1.00 0.65 C ATOM 0 H VAL A 71 6.230 5.656 -8.694 1.00 0.56 H new ATOM 0 HA VAL A 71 4.034 7.080 -7.322 1.00 0.58 H new ATOM 0 HB VAL A 71 5.935 4.988 -6.213 1.00 0.60 H new ATOM 0 HG11 VAL A 71 4.469 5.051 -4.231 1.00 0.68 H new ATOM 0 HG12 VAL A 71 5.241 6.626 -4.538 1.00 0.68 H new ATOM 0 HG13 VAL A 71 3.534 6.371 -4.973 1.00 0.68 H new ATOM 0 HG21 VAL A 71 3.951 3.529 -6.093 1.00 0.65 H new ATOM 0 HG22 VAL A 71 2.992 4.777 -6.923 1.00 0.65 H new ATOM 0 HG23 VAL A 71 4.342 3.984 -7.769 1.00 0.65 H new ATOM 1096 N THR A 72 5.617 8.793 -6.436 1.00 0.63 N ATOM 1097 CA THR A 72 6.523 9.846 -6.020 1.00 0.66 C ATOM 1098 C THR A 72 6.299 10.203 -4.553 1.00 0.70 C ATOM 1099 O THR A 72 5.170 10.461 -4.136 1.00 0.78 O ATOM 1100 CB THR A 72 6.323 11.102 -6.888 1.00 0.75 C ATOM 1101 OG1 THR A 72 6.212 10.717 -8.265 1.00 0.76 O ATOM 1102 CG2 THR A 72 7.484 12.069 -6.727 1.00 0.80 C ATOM 0 H THR A 72 4.631 9.053 -6.419 1.00 0.63 H new ATOM 0 HA THR A 72 7.542 9.480 -6.145 1.00 0.66 H new ATOM 0 HB THR A 72 5.411 11.602 -6.563 1.00 0.75 H new ATOM 0 HG1 THR A 72 6.083 11.515 -8.819 1.00 0.76 H new ATOM 0 HG21 THR A 72 7.316 12.947 -7.351 1.00 0.80 H new ATOM 0 HG22 THR A 72 7.560 12.375 -5.684 1.00 0.80 H new ATOM 0 HG23 THR A 72 8.410 11.580 -7.030 1.00 0.80 H new ATOM 1110 N VAL A 73 7.371 10.191 -3.778 1.00 0.70 N ATOM 1111 CA VAL A 73 7.301 10.556 -2.372 1.00 0.76 C ATOM 1112 C VAL A 73 7.748 12.001 -2.194 1.00 0.90 C ATOM 1113 O VAL A 73 8.937 12.310 -2.280 1.00 1.01 O ATOM 1114 CB VAL A 73 8.180 9.633 -1.503 1.00 0.79 C ATOM 1115 CG1 VAL A 73 8.028 9.973 -0.028 1.00 0.89 C ATOM 1116 CG2 VAL A 73 7.836 8.171 -1.758 1.00 0.75 C ATOM 0 H VAL A 73 8.303 9.932 -4.100 1.00 0.70 H new ATOM 0 HA VAL A 73 6.267 10.443 -2.047 1.00 0.76 H new ATOM 0 HB VAL A 73 9.222 9.793 -1.781 1.00 0.79 H new ATOM 0 HG11 VAL A 73 8.657 9.309 0.565 1.00 0.89 H new ATOM 0 HG12 VAL A 73 8.331 11.006 0.140 1.00 0.89 H new ATOM 0 HG13 VAL A 73 6.987 9.847 0.269 1.00 0.89 H new ATOM 0 HG21 VAL A 73 8.466 7.535 -1.136 1.00 0.75 H new ATOM 0 HG22 VAL A 73 6.789 7.995 -1.512 1.00 0.75 H new ATOM 0 HG23 VAL A 73 8.007 7.935 -2.808 1.00 0.75 H new ATOM 1126 N THR A 74 6.788 12.878 -1.961 1.00 0.97 N ATOM 1127 CA THR A 74 7.054 14.302 -1.846 1.00 1.15 C ATOM 1128 C THR A 74 6.844 14.763 -0.404 1.00 1.11 C ATOM 1129 O THR A 74 5.923 14.299 0.269 1.00 0.99 O ATOM 1130 CB THR A 74 6.120 15.089 -2.787 1.00 1.38 C ATOM 1131 OG1 THR A 74 6.207 14.557 -4.116 1.00 1.87 O ATOM 1132 CG2 THR A 74 6.475 16.569 -2.810 1.00 1.47 C ATOM 0 H THR A 74 5.806 12.626 -1.847 1.00 0.97 H new ATOM 0 HA THR A 74 8.089 14.490 -2.130 1.00 1.15 H new ATOM 0 HB THR A 74 5.102 14.986 -2.412 1.00 1.38 H new ATOM 0 HG1 THR A 74 5.610 15.060 -4.709 1.00 1.87 H new ATOM 0 HG21 THR A 74 5.798 17.095 -3.483 1.00 1.47 H new ATOM 0 HG22 THR A 74 6.381 16.981 -1.805 1.00 1.47 H new ATOM 0 HG23 THR A 74 7.500 16.692 -3.158 1.00 1.47 H new ATOM 1140 N ALA A 75 7.701 15.654 0.080 1.00 1.29 N ATOM 1141 CA ALA A 75 7.556 16.185 1.425 1.00 1.36 C ATOM 1142 C ALA A 75 6.485 17.272 1.464 1.00 1.48 C ATOM 1143 O ALA A 75 6.542 18.240 0.702 1.00 1.72 O ATOM 1144 CB ALA A 75 8.884 16.725 1.932 1.00 1.56 C ATOM 0 H ALA A 75 8.499 16.021 -0.438 1.00 1.29 H new ATOM 0 HA ALA A 75 7.242 15.373 2.081 1.00 1.36 H new ATOM 0 HB1 ALA A 75 8.756 17.118 2.940 1.00 1.56 H new ATOM 0 HB2 ALA A 75 9.621 15.922 1.947 1.00 1.56 H new ATOM 0 HB3 ALA A 75 9.228 17.522 1.273 1.00 1.56 H new ATOM 1150 N SER A 76 5.502 17.103 2.339 1.00 1.52 N ATOM 1151 CA SER A 76 4.422 18.067 2.464 1.00 1.75 C ATOM 1152 C SER A 76 4.855 19.248 3.326 1.00 2.24 C ATOM 1153 O SER A 76 5.308 19.071 4.458 1.00 2.81 O ATOM 1154 CB SER A 76 3.189 17.393 3.067 1.00 2.10 C ATOM 1155 OG SER A 76 2.798 16.270 2.295 1.00 2.68 O ATOM 0 H SER A 76 5.432 16.306 2.972 1.00 1.52 H new ATOM 0 HA SER A 76 4.171 18.442 1.472 1.00 1.75 H new ATOM 0 HB2 SER A 76 3.404 17.080 4.089 1.00 2.10 H new ATOM 0 HB3 SER A 76 2.368 18.108 3.119 1.00 2.10 H new ATOM 0 HG SER A 76 2.009 15.853 2.700 1.00 2.68 H new ATOM 1161 N ALA A 77 4.728 20.446 2.779 1.00 2.71 N ATOM 1162 CA ALA A 77 5.110 21.653 3.493 1.00 3.56 C ATOM 1163 C ALA A 77 3.928 22.248 4.247 1.00 4.02 C ATOM 1164 O ALA A 77 2.781 22.153 3.805 1.00 4.62 O ATOM 1165 CB ALA A 77 5.673 22.682 2.526 1.00 4.29 C ATOM 0 H ALA A 77 4.362 20.608 1.841 1.00 2.71 H new ATOM 0 HA ALA A 77 5.877 21.381 4.218 1.00 3.56 H new ATOM 0 HB1 ALA A 77 5.955 23.581 3.075 1.00 4.29 H new ATOM 0 HB2 ALA A 77 6.551 22.271 2.028 1.00 4.29 H new ATOM 0 HB3 ALA A 77 4.918 22.933 1.782 1.00 4.29 H new ATOM 1171 N ALA A 78 4.217 22.854 5.388 1.00 4.20 N ATOM 1172 CA ALA A 78 3.202 23.532 6.176 1.00 5.03 C ATOM 1173 C ALA A 78 3.281 25.036 5.950 1.00 5.55 C ATOM 1174 O ALA A 78 4.319 25.543 5.510 1.00 5.99 O ATOM 1175 CB ALA A 78 3.365 23.199 7.650 1.00 5.72 C ATOM 0 H ALA A 78 5.154 22.889 5.790 1.00 4.20 H new ATOM 0 HA ALA A 78 2.219 23.186 5.856 1.00 5.03 H new ATOM 0 HB1 ALA A 78 2.597 23.715 8.227 1.00 5.72 H new ATOM 0 HB2 ALA A 78 3.265 22.123 7.793 1.00 5.72 H new ATOM 0 HB3 ALA A 78 4.350 23.520 7.989 1.00 5.72 H new ATOM 1181 N ALA A 79 2.186 25.737 6.238 1.00 5.86 N ATOM 1182 CA ALA A 79 2.099 27.182 6.016 1.00 6.63 C ATOM 1183 C ALA A 79 2.421 27.516 4.562 1.00 7.15 C ATOM 1184 O ALA A 79 3.072 28.517 4.262 1.00 7.46 O ATOM 1185 CB ALA A 79 3.026 27.934 6.965 1.00 6.90 C ATOM 0 H ALA A 79 1.339 25.325 6.629 1.00 5.86 H new ATOM 0 HA ALA A 79 1.078 27.501 6.224 1.00 6.63 H new ATOM 0 HB1 ALA A 79 2.944 29.005 6.781 1.00 6.90 H new ATOM 0 HB2 ALA A 79 2.743 27.720 7.996 1.00 6.90 H new ATOM 0 HB3 ALA A 79 4.055 27.615 6.798 1.00 6.90 H new ATOM 1191 N LYS A 80 1.957 26.660 3.662 1.00 7.55 N ATOM 1192 CA LYS A 80 2.231 26.808 2.240 1.00 8.34 C ATOM 1193 C LYS A 80 1.153 27.652 1.573 1.00 8.95 C ATOM 1194 O LYS A 80 1.334 28.145 0.459 1.00 9.25 O ATOM 1195 CB LYS A 80 2.294 25.437 1.562 1.00 8.77 C ATOM 1196 CG LYS A 80 1.008 24.637 1.697 1.00 9.05 C ATOM 1197 CD LYS A 80 0.944 23.502 0.691 1.00 9.51 C ATOM 1198 CE LYS A 80 -0.386 22.767 0.771 1.00 10.08 C ATOM 1199 NZ LYS A 80 -0.602 21.887 -0.404 1.00 10.73 N ATOM 0 H LYS A 80 1.384 25.849 3.895 1.00 7.55 H new ATOM 0 HA LYS A 80 3.194 27.307 2.132 1.00 8.34 H new ATOM 0 HB2 LYS A 80 2.519 25.573 0.504 1.00 8.77 H new ATOM 0 HB3 LYS A 80 3.116 24.865 1.992 1.00 8.77 H new ATOM 0 HG2 LYS A 80 0.935 24.233 2.707 1.00 9.05 H new ATOM 0 HG3 LYS A 80 0.152 25.297 1.556 1.00 9.05 H new ATOM 0 HD2 LYS A 80 1.084 23.897 -0.315 1.00 9.51 H new ATOM 0 HD3 LYS A 80 1.760 22.803 0.875 1.00 9.51 H new ATOM 0 HE2 LYS A 80 -0.417 22.170 1.682 1.00 10.08 H new ATOM 0 HE3 LYS A 80 -1.198 23.491 0.837 1.00 10.08 H new ATOM 0 HZ1 LYS A 80 -1.518 21.404 -0.312 1.00 10.73 H new ATOM 0 HZ2 LYS A 80 -0.598 22.460 -1.272 1.00 10.73 H new ATOM 0 HZ3 LYS A 80 0.159 21.180 -0.452 1.00 10.73 H new ATOM 1213 N ASP A 81 0.038 27.813 2.265 1.00 9.36 N ATOM 1214 CA ASP A 81 -1.113 28.521 1.720 1.00 10.16 C ATOM 1215 C ASP A 81 -1.784 29.346 2.806 1.00 10.60 C ATOM 1216 O ASP A 81 -2.348 30.409 2.542 1.00 11.03 O ATOM 1217 CB ASP A 81 -2.110 27.519 1.132 1.00 10.60 C ATOM 1218 CG ASP A 81 -3.291 28.190 0.462 1.00 11.07 C ATOM 1219 OD1 ASP A 81 -4.289 28.465 1.157 1.00 11.19 O ATOM 1220 OD2 ASP A 81 -3.218 28.460 -0.757 1.00 11.50 O ATOM 0 H ASP A 81 -0.097 27.461 3.213 1.00 9.36 H new ATOM 0 HA ASP A 81 -0.774 29.191 0.930 1.00 10.16 H new ATOM 0 HB2 ASP A 81 -1.598 26.887 0.407 1.00 10.60 H new ATOM 0 HB3 ASP A 81 -2.472 26.865 1.926 1.00 10.60 H new ATOM 1225 N GLY A 82 -1.725 28.843 4.027 1.00 10.72 N ATOM 1226 CA GLY A 82 -2.262 29.560 5.158 1.00 11.37 C ATOM 1227 C GLY A 82 -2.416 28.659 6.359 1.00 11.77 C ATOM 1228 O GLY A 82 -1.687 27.647 6.440 1.00 12.00 O ATOM 1229 OXT GLY A 82 -3.255 28.955 7.229 1.00 12.03 O ATOM 0 H GLY A 82 -1.309 27.940 4.255 1.00 10.72 H new ATOM 0 HA2 GLY A 82 -1.605 30.393 5.408 1.00 11.37 H new ATOM 0 HA3 GLY A 82 -3.230 29.986 4.894 1.00 11.37 H new TER 1233 GLY A 82