USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 807 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 101 ASN : amide:sc= -0.153 K(o=-0.39,f=-0.97) USER MOD Set 1.2: A 103 ASN : amide:sc= -0.234 K(o=-0.39,f=-2.4) USER MOD Set 2.1: A 26 GLN : amide:sc= -1.66! K(o=-1.4!,f=-0.27) USER MOD Set 2.2: A 43 SER OG : rot 100:sc= 0 USER MOD Set 2.3: A 95 TYR OH : rot -161:sc= 0.296 USER MOD Set 3.1: A 84 CYS SG : rot -86:sc= 0.907 USER MOD Set 3.2: A 91 SER OG : rot -23:sc= 0.0152 USER MOD Set 4.1: A 73 LYS NZ :NH3+ -114:sc= 0.476 (180deg=0) USER MOD Set 4.2: A 90 TYR OH : rot 30:sc= 0.431 USER MOD Set 5.1: A 27 GLN : amide:sc= 1.08 K(o=1,f=-0.97) USER MOD Set 5.2: A 50 GLN : amide:sc= -0.0363 K(o=1,f=-1.4) USER MOD Set 6.1: A 44 ASN : amide:sc= 0.564 K(o=-1.5,f=-6.1) USER MOD Set 6.2: A 55 SER OG : rot -67:sc= -2.02! USER MOD Single : A 3 GLN : amide:sc= -1.32! K(o=-1.3!,f=-0.014) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.218 USER MOD Single : A 6 THR OG1 : rot 180:sc=-0.00182 USER MOD Single : A 8 CYS SG : rot 180:sc= -0.157 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 50:sc= 0.642 USER MOD Single : A 20 CYS SG : rot 170:sc= -0.959 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.0189 K(o=-0.019,f=-1.8!) USER MOD Single : A 38 GLN : amide:sc= -0.422 K(o=-0.42,f=-0.95) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -165:sc= -1.06 USER MOD Single : A 62 HIS : no HD1:sc= -0.0811 X(o=-0.081,f=-0.12) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 70 SER OG : rot 22:sc= -0.96 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -1.98 K(o=-2,f=-3.2!) USER MOD Single : A 76 HIS : no HE2:sc= 1.17 K(o=1.2,f=-4.9!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0.147 K(o=0.15,f=-0.6) USER MOD Single : A 100 THR OG1 : rot -31:sc= 0.42 USER MOD Single : A 105 GLN : amide:sc= -0.641 K(o=-0.64,f=-0.048) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 -19.004 -8.015 -0.934 1.00 13.30 N ATOM 32 CA GLN A 3 -18.271 -6.826 -1.356 1.00 52.31 C ATOM 33 C GLN A 3 -17.217 -6.421 -0.337 1.00 21.12 C ATOM 34 O GLN A 3 -16.480 -5.460 -0.539 1.00 10.14 O ATOM 35 CB GLN A 3 -19.229 -5.661 -1.617 1.00 44.22 C ATOM 36 CG GLN A 3 -20.086 -5.296 -0.416 1.00 22.21 C ATOM 37 CD GLN A 3 -20.945 -4.072 -0.656 1.00 54.24 C ATOM 38 OE1 GLN A 3 -22.046 -3.958 -0.116 1.00 34.14 O ATOM 39 NE2 GLN A 3 -20.445 -3.140 -1.455 1.00 51.23 N ATOM 0 HA GLN A 3 -17.758 -7.076 -2.285 1.00 52.31 H new ATOM 0 HB2 GLN A 3 -18.651 -4.787 -1.919 1.00 44.22 H new ATOM 0 HB3 GLN A 3 -19.880 -5.917 -2.453 1.00 44.22 H new ATOM 0 HG2 GLN A 3 -20.728 -6.140 -0.164 1.00 22.21 H new ATOM 0 HG3 GLN A 3 -19.441 -5.118 0.444 1.00 22.21 H new ATOM 0 HE21 GLN A 3 -19.529 -3.273 -1.883 1.00 51.23 H new ATOM 0 HE22 GLN A 3 -20.977 -2.290 -1.642 1.00 51.23 H new ATOM 48 N TRP A 4 -17.143 -7.168 0.739 1.00 4.53 N ATOM 49 CA TRP A 4 -16.159 -6.906 1.777 1.00 31.20 C ATOM 50 C TRP A 4 -15.231 -8.097 1.915 1.00 34.23 C ATOM 51 O TRP A 4 -15.545 -9.070 2.600 1.00 71.02 O ATOM 52 CB TRP A 4 -16.835 -6.590 3.116 1.00 32.32 C ATOM 53 CG TRP A 4 -17.604 -5.306 3.094 1.00 44.11 C ATOM 54 CD1 TRP A 4 -18.942 -5.158 2.896 1.00 75.13 C ATOM 55 CD2 TRP A 4 -17.076 -3.986 3.267 1.00 3.10 C ATOM 56 NE1 TRP A 4 -19.282 -3.828 2.936 1.00 23.20 N ATOM 57 CE2 TRP A 4 -18.153 -3.089 3.163 1.00 51.45 C ATOM 58 CE3 TRP A 4 -15.797 -3.478 3.502 1.00 55.43 C ATOM 59 CZ2 TRP A 4 -17.988 -1.712 3.286 1.00 73.01 C ATOM 60 CZ3 TRP A 4 -15.635 -2.113 3.623 1.00 70.03 C ATOM 61 CH2 TRP A 4 -16.726 -1.245 3.516 1.00 61.20 C ATOM 0 H TRP A 4 -17.752 -7.965 0.924 1.00 4.53 H new ATOM 0 HA TRP A 4 -15.577 -6.031 1.488 1.00 31.20 H new ATOM 0 HB2 TRP A 4 -17.508 -7.406 3.378 1.00 32.32 H new ATOM 0 HB3 TRP A 4 -16.076 -6.539 3.897 1.00 32.32 H new ATOM 0 HD1 TRP A 4 -19.636 -5.969 2.731 1.00 75.13 H new ATOM 0 HE1 TRP A 4 -20.223 -3.452 2.816 1.00 23.20 H new ATOM 0 HE3 TRP A 4 -14.949 -4.142 3.588 1.00 55.43 H new ATOM 0 HZ2 TRP A 4 -18.828 -1.038 3.203 1.00 73.01 H new ATOM 0 HZ3 TRP A 4 -14.650 -1.709 3.803 1.00 70.03 H new ATOM 0 HH2 TRP A 4 -16.567 -0.182 3.618 1.00 61.20 H new ATOM 72 N THR A 5 -14.102 -8.024 1.234 1.00 51.23 N ATOM 73 CA THR A 5 -13.154 -9.117 1.213 1.00 71.54 C ATOM 74 C THR A 5 -12.104 -8.945 2.304 1.00 72.12 C ATOM 75 O THR A 5 -11.579 -7.849 2.508 1.00 1.45 O ATOM 76 CB THR A 5 -12.470 -9.211 -0.163 1.00 62.31 C ATOM 77 OG1 THR A 5 -13.470 -9.254 -1.192 1.00 5.32 O ATOM 78 CG2 THR A 5 -11.590 -10.450 -0.260 1.00 60.04 C ATOM 0 H THR A 5 -13.820 -7.212 0.685 1.00 51.23 H new ATOM 0 HA THR A 5 -13.701 -10.041 1.400 1.00 71.54 H new ATOM 0 HB THR A 5 -11.838 -8.332 -0.290 1.00 62.31 H new ATOM 0 HG1 THR A 5 -13.035 -9.312 -2.068 1.00 5.32 H new ATOM 0 HG21 THR A 5 -11.121 -10.487 -1.243 1.00 60.04 H new ATOM 0 HG22 THR A 5 -10.818 -10.409 0.509 1.00 60.04 H new ATOM 0 HG23 THR A 5 -12.200 -11.342 -0.115 1.00 60.04 H new ATOM 86 N THR A 6 -11.818 -10.025 3.011 1.00 41.40 N ATOM 87 CA THR A 6 -10.820 -10.011 4.063 1.00 33.20 C ATOM 88 C THR A 6 -9.416 -10.028 3.470 1.00 30.32 C ATOM 89 O THR A 6 -9.061 -10.937 2.716 1.00 33.42 O ATOM 90 CB THR A 6 -11.000 -11.220 4.999 1.00 4.15 C ATOM 91 OG1 THR A 6 -12.314 -11.197 5.569 1.00 71.44 O ATOM 92 CG2 THR A 6 -9.963 -11.216 6.108 1.00 55.53 C ATOM 0 H THR A 6 -12.268 -10.930 2.872 1.00 41.40 H new ATOM 0 HA THR A 6 -10.952 -9.095 4.639 1.00 33.20 H new ATOM 0 HB THR A 6 -10.867 -12.128 4.411 1.00 4.15 H new ATOM 0 HG1 THR A 6 -12.427 -11.968 6.163 1.00 71.44 H new ATOM 0 HG21 THR A 6 -10.116 -12.082 6.752 1.00 55.53 H new ATOM 0 HG22 THR A 6 -8.965 -11.260 5.673 1.00 55.53 H new ATOM 0 HG23 THR A 6 -10.063 -10.304 6.696 1.00 55.53 H new ATOM 100 N VAL A 7 -8.635 -9.008 3.797 1.00 15.25 N ATOM 101 CA VAL A 7 -7.258 -8.923 3.333 1.00 52.13 C ATOM 102 C VAL A 7 -6.358 -9.792 4.201 1.00 34.54 C ATOM 103 O VAL A 7 -5.860 -10.828 3.758 1.00 50.34 O ATOM 104 CB VAL A 7 -6.739 -7.467 3.358 1.00 41.42 C ATOM 105 CG1 VAL A 7 -5.316 -7.383 2.822 1.00 2.31 C ATOM 106 CG2 VAL A 7 -7.660 -6.559 2.566 1.00 61.13 C ATOM 0 H VAL A 7 -8.932 -8.227 4.382 1.00 15.25 H new ATOM 0 HA VAL A 7 -7.236 -9.279 2.303 1.00 52.13 H new ATOM 0 HB VAL A 7 -6.729 -7.132 4.395 1.00 41.42 H new ATOM 0 HG11 VAL A 7 -4.977 -6.348 2.851 1.00 2.31 H new ATOM 0 HG12 VAL A 7 -4.659 -7.998 3.437 1.00 2.31 H new ATOM 0 HG13 VAL A 7 -5.293 -7.743 1.794 1.00 2.31 H new ATOM 0 HG21 VAL A 7 -7.278 -5.538 2.595 1.00 61.13 H new ATOM 0 HG22 VAL A 7 -7.706 -6.900 1.532 1.00 61.13 H new ATOM 0 HG23 VAL A 7 -8.659 -6.585 3.001 1.00 61.13 H new ATOM 116 N CYS A 8 -6.180 -9.372 5.445 1.00 25.53 N ATOM 117 CA CYS A 8 -5.342 -10.090 6.390 1.00 64.31 C ATOM 118 C CYS A 8 -5.673 -9.664 7.815 1.00 13.21 C ATOM 119 O CYS A 8 -6.559 -8.827 8.030 1.00 23.44 O ATOM 120 CB CYS A 8 -3.865 -9.830 6.082 1.00 32.22 C ATOM 121 SG CYS A 8 -3.422 -8.078 6.001 1.00 60.13 S ATOM 0 H CYS A 8 -6.610 -8.529 5.825 1.00 25.53 H new ATOM 0 HA CYS A 8 -5.535 -11.159 6.295 1.00 64.31 H new ATOM 0 HB2 CYS A 8 -3.256 -10.312 6.846 1.00 32.22 H new ATOM 0 HB3 CYS A 8 -3.615 -10.301 5.131 1.00 32.22 H new ATOM 0 HG CYS A 8 -2.154 -7.963 5.738 1.00 60.13 H new ATOM 127 N LYS A 9 -4.970 -10.237 8.784 1.00 21.31 N ATOM 128 CA LYS A 9 -5.200 -9.914 10.180 1.00 73.13 C ATOM 129 C LYS A 9 -4.597 -8.564 10.532 1.00 61.32 C ATOM 130 O LYS A 9 -3.470 -8.254 10.146 1.00 51.14 O ATOM 131 CB LYS A 9 -4.594 -10.978 11.098 1.00 23.35 C ATOM 132 CG LYS A 9 -5.237 -12.349 10.986 1.00 52.52 C ATOM 133 CD LYS A 9 -4.682 -13.298 12.037 1.00 12.53 C ATOM 134 CE LYS A 9 -5.334 -14.667 11.961 1.00 64.33 C ATOM 135 NZ LYS A 9 -4.842 -15.573 13.030 1.00 24.32 N ATOM 0 H LYS A 9 -4.236 -10.928 8.625 1.00 21.31 H new ATOM 0 HA LYS A 9 -6.279 -9.880 10.328 1.00 73.13 H new ATOM 0 HB2 LYS A 9 -3.531 -11.070 10.874 1.00 23.35 H new ATOM 0 HB3 LYS A 9 -4.674 -10.637 12.130 1.00 23.35 H new ATOM 0 HG2 LYS A 9 -6.317 -12.259 11.106 1.00 52.52 H new ATOM 0 HG3 LYS A 9 -5.059 -12.758 9.991 1.00 52.52 H new ATOM 0 HD2 LYS A 9 -3.605 -13.400 11.902 1.00 12.53 H new ATOM 0 HD3 LYS A 9 -4.840 -12.875 13.029 1.00 12.53 H new ATOM 0 HE2 LYS A 9 -6.415 -14.560 12.045 1.00 64.33 H new ATOM 0 HE3 LYS A 9 -5.133 -15.112 10.986 1.00 64.33 H new ATOM 0 HZ1 LYS A 9 -5.311 -16.498 12.944 1.00 24.32 H new ATOM 0 HZ2 LYS A 9 -3.814 -15.696 12.935 1.00 24.32 H new ATOM 0 HZ3 LYS A 9 -5.057 -15.161 13.960 1.00 24.32 H new ATOM 149 N LEU A 10 -5.340 -7.777 11.298 1.00 15.42 N ATOM 150 CA LEU A 10 -4.838 -6.510 11.817 1.00 42.00 C ATOM 151 C LEU A 10 -3.785 -6.784 12.891 1.00 42.35 C ATOM 152 O LEU A 10 -3.082 -5.889 13.360 1.00 33.52 O ATOM 153 CB LEU A 10 -6.003 -5.699 12.391 1.00 74.44 C ATOM 154 CG LEU A 10 -5.656 -4.304 12.909 1.00 74.20 C ATOM 155 CD1 LEU A 10 -5.073 -3.445 11.800 1.00 60.51 C ATOM 156 CD2 LEU A 10 -6.893 -3.646 13.498 1.00 55.30 C ATOM 0 H LEU A 10 -6.297 -7.994 11.575 1.00 15.42 H new ATOM 0 HA LEU A 10 -4.375 -5.934 11.015 1.00 42.00 H new ATOM 0 HB2 LEU A 10 -6.766 -5.599 11.619 1.00 74.44 H new ATOM 0 HB3 LEU A 10 -6.449 -6.268 13.207 1.00 74.44 H new ATOM 0 HG LEU A 10 -4.902 -4.402 13.690 1.00 74.20 H new ATOM 0 HD11 LEU A 10 -4.834 -2.457 12.193 1.00 60.51 H new ATOM 0 HD12 LEU A 10 -4.166 -3.912 11.416 1.00 60.51 H new ATOM 0 HD13 LEU A 10 -5.800 -3.349 10.994 1.00 60.51 H new ATOM 0 HD21 LEU A 10 -6.637 -2.652 13.865 1.00 55.30 H new ATOM 0 HD22 LEU A 10 -7.661 -3.562 12.729 1.00 55.30 H new ATOM 0 HD23 LEU A 10 -7.269 -4.251 14.323 1.00 55.30 H new ATOM 168 N ASP A 11 -3.676 -8.057 13.237 1.00 71.30 N ATOM 169 CA ASP A 11 -2.729 -8.534 14.234 1.00 4.34 C ATOM 170 C ASP A 11 -1.385 -8.838 13.577 1.00 54.31 C ATOM 171 O ASP A 11 -0.365 -8.986 14.246 1.00 3.11 O ATOM 172 CB ASP A 11 -3.304 -9.794 14.900 1.00 42.32 C ATOM 173 CG ASP A 11 -2.385 -10.411 15.936 1.00 13.13 C ATOM 174 OD1 ASP A 11 -2.263 -9.847 17.041 1.00 2.24 O ATOM 175 OD2 ASP A 11 -1.813 -11.488 15.659 1.00 1.41 O ATOM 0 H ASP A 11 -4.248 -8.796 12.830 1.00 71.30 H new ATOM 0 HA ASP A 11 -2.569 -7.767 14.991 1.00 4.34 H new ATOM 0 HB2 ASP A 11 -4.253 -9.543 15.373 1.00 42.32 H new ATOM 0 HB3 ASP A 11 -3.518 -10.535 14.130 1.00 42.32 H new ATOM 180 N ASP A 12 -1.393 -8.925 12.249 1.00 65.12 N ATOM 181 CA ASP A 12 -0.182 -9.233 11.495 1.00 72.50 C ATOM 182 C ASP A 12 0.413 -7.963 10.898 1.00 41.12 C ATOM 183 O ASP A 12 1.616 -7.884 10.647 1.00 2.35 O ATOM 184 CB ASP A 12 -0.488 -10.246 10.384 1.00 20.32 C ATOM 185 CG ASP A 12 0.756 -10.695 9.632 1.00 40.00 C ATOM 186 OD1 ASP A 12 1.493 -11.559 10.149 1.00 34.02 O ATOM 187 OD2 ASP A 12 0.993 -10.197 8.511 1.00 53.05 O ATOM 0 H ASP A 12 -2.224 -8.787 11.674 1.00 65.12 H new ATOM 0 HA ASP A 12 0.546 -9.671 12.178 1.00 72.50 H new ATOM 0 HB2 ASP A 12 -0.978 -11.117 10.819 1.00 20.32 H new ATOM 0 HB3 ASP A 12 -1.192 -9.803 9.680 1.00 20.32 H new ATOM 192 N ILE A 13 -0.438 -6.967 10.684 1.00 52.51 N ATOM 193 CA ILE A 13 -0.006 -5.702 10.097 1.00 12.52 C ATOM 194 C ILE A 13 0.903 -4.942 11.062 1.00 34.44 C ATOM 195 O ILE A 13 0.461 -4.501 12.122 1.00 1.01 O ATOM 196 CB ILE A 13 -1.216 -4.818 9.718 1.00 41.24 C ATOM 197 CG1 ILE A 13 -2.153 -5.585 8.785 1.00 31.11 C ATOM 198 CG2 ILE A 13 -0.747 -3.529 9.057 1.00 50.12 C ATOM 199 CD1 ILE A 13 -3.431 -4.845 8.459 1.00 22.44 C ATOM 0 H ILE A 13 -1.432 -7.010 10.908 1.00 52.51 H new ATOM 0 HA ILE A 13 0.551 -5.935 9.190 1.00 12.52 H new ATOM 0 HB ILE A 13 -1.759 -4.560 10.627 1.00 41.24 H new ATOM 0 HG12 ILE A 13 -1.625 -5.806 7.857 1.00 31.11 H new ATOM 0 HG13 ILE A 13 -2.405 -6.541 9.244 1.00 31.11 H new ATOM 0 HG21 ILE A 13 -1.611 -2.918 8.797 1.00 50.12 H new ATOM 0 HG22 ILE A 13 -0.108 -2.978 9.747 1.00 50.12 H new ATOM 0 HG23 ILE A 13 -0.185 -3.767 8.154 1.00 50.12 H new ATOM 0 HD11 ILE A 13 -4.043 -5.453 7.793 1.00 22.44 H new ATOM 0 HD12 ILE A 13 -3.982 -4.647 9.379 1.00 22.44 H new ATOM 0 HD13 ILE A 13 -3.190 -3.901 7.970 1.00 22.44 H new ATOM 211 N LEU A 14 2.168 -4.797 10.685 1.00 0.20 N ATOM 212 CA LEU A 14 3.169 -4.174 11.542 1.00 23.30 C ATOM 213 C LEU A 14 2.950 -2.665 11.661 1.00 22.14 C ATOM 214 O LEU A 14 2.809 -1.965 10.656 1.00 70.13 O ATOM 215 CB LEU A 14 4.568 -4.457 10.993 1.00 34.24 C ATOM 216 CG LEU A 14 4.954 -5.937 10.924 1.00 65.33 C ATOM 217 CD1 LEU A 14 6.317 -6.101 10.273 1.00 52.41 C ATOM 218 CD2 LEU A 14 4.953 -6.557 12.315 1.00 20.30 C ATOM 0 H LEU A 14 2.527 -5.106 9.782 1.00 0.20 H new ATOM 0 HA LEU A 14 3.072 -4.603 12.539 1.00 23.30 H new ATOM 0 HB2 LEU A 14 4.641 -4.032 9.992 1.00 34.24 H new ATOM 0 HB3 LEU A 14 5.297 -3.936 11.614 1.00 34.24 H new ATOM 0 HG LEU A 14 4.214 -6.456 10.315 1.00 65.33 H new ATOM 0 HD11 LEU A 14 6.576 -7.159 10.232 1.00 52.41 H new ATOM 0 HD12 LEU A 14 6.288 -5.695 9.262 1.00 52.41 H new ATOM 0 HD13 LEU A 14 7.066 -5.567 10.857 1.00 52.41 H new ATOM 0 HD21 LEU A 14 5.230 -7.609 12.245 1.00 20.30 H new ATOM 0 HD22 LEU A 14 5.671 -6.034 12.947 1.00 20.30 H new ATOM 0 HD23 LEU A 14 3.957 -6.472 12.750 1.00 20.30 H new ATOM 230 N PRO A 15 2.926 -2.150 12.903 1.00 34.24 N ATOM 231 CA PRO A 15 2.726 -0.723 13.180 1.00 72.31 C ATOM 232 C PRO A 15 3.900 0.132 12.713 1.00 73.15 C ATOM 233 O PRO A 15 5.057 -0.145 13.042 1.00 2.51 O ATOM 234 CB PRO A 15 2.600 -0.658 14.709 1.00 31.33 C ATOM 235 CG PRO A 15 2.389 -2.066 15.154 1.00 65.40 C ATOM 236 CD PRO A 15 3.086 -2.923 14.141 1.00 62.50 C ATOM 0 HA PRO A 15 1.856 -0.333 12.651 1.00 72.31 H new ATOM 0 HB2 PRO A 15 3.498 -0.235 15.159 1.00 31.33 H new ATOM 0 HB3 PRO A 15 1.765 -0.023 15.007 1.00 31.33 H new ATOM 0 HG2 PRO A 15 2.799 -2.227 16.151 1.00 65.40 H new ATOM 0 HG3 PRO A 15 1.327 -2.305 15.204 1.00 65.40 H new ATOM 0 HD2 PRO A 15 4.136 -3.074 14.392 1.00 62.50 H new ATOM 0 HD3 PRO A 15 2.631 -3.911 14.064 1.00 62.50 H new ATOM 244 N GLY A 16 3.598 1.177 11.955 1.00 3.42 N ATOM 245 CA GLY A 16 4.630 2.053 11.452 1.00 74.43 C ATOM 246 C GLY A 16 5.120 1.629 10.086 1.00 50.14 C ATOM 247 O GLY A 16 6.265 1.904 9.724 1.00 53.54 O ATOM 0 H GLY A 16 2.650 1.432 11.680 1.00 3.42 H new ATOM 0 HA2 GLY A 16 4.246 3.072 11.399 1.00 74.43 H new ATOM 0 HA3 GLY A 16 5.467 2.064 12.150 1.00 74.43 H new ATOM 251 N THR A 17 4.253 0.969 9.318 1.00 1.02 N ATOM 252 CA THR A 17 4.638 0.446 8.009 1.00 33.22 C ATOM 253 C THR A 17 3.413 0.105 7.170 1.00 35.41 C ATOM 254 O THR A 17 2.293 0.087 7.677 1.00 75.11 O ATOM 255 CB THR A 17 5.526 -0.813 8.132 1.00 40.44 C ATOM 256 OG1 THR A 17 5.367 -1.414 9.427 1.00 53.51 O ATOM 257 CG2 THR A 17 6.990 -0.477 7.894 1.00 25.20 C ATOM 0 H THR A 17 3.284 0.785 9.579 1.00 1.02 H new ATOM 0 HA THR A 17 5.209 1.234 7.517 1.00 33.22 H new ATOM 0 HB THR A 17 5.207 -1.522 7.368 1.00 40.44 H new ATOM 0 HG1 THR A 17 4.413 -1.529 9.619 1.00 53.51 H new ATOM 0 HG21 THR A 17 7.591 -1.382 7.987 1.00 25.20 H new ATOM 0 HG22 THR A 17 7.110 -0.063 6.893 1.00 25.20 H new ATOM 0 HG23 THR A 17 7.320 0.255 8.631 1.00 25.20 H new ATOM 265 N GLY A 18 3.634 -0.157 5.889 1.00 14.23 N ATOM 266 CA GLY A 18 2.554 -0.532 5.002 1.00 33.42 C ATOM 267 C GLY A 18 3.078 -1.130 3.714 1.00 63.31 C ATOM 268 O GLY A 18 3.968 -0.559 3.088 1.00 74.03 O ATOM 0 H GLY A 18 4.552 -0.115 5.446 1.00 14.23 H new ATOM 0 HA2 GLY A 18 1.905 -1.251 5.501 1.00 33.42 H new ATOM 0 HA3 GLY A 18 1.946 0.344 4.777 1.00 33.42 H new ATOM 272 N VAL A 19 2.547 -2.283 3.326 1.00 2.31 N ATOM 273 CA VAL A 19 3.016 -2.971 2.129 1.00 53.01 C ATOM 274 C VAL A 19 1.854 -3.413 1.255 1.00 2.30 C ATOM 275 O VAL A 19 0.691 -3.274 1.640 1.00 50.33 O ATOM 276 CB VAL A 19 3.890 -4.203 2.466 1.00 52.20 C ATOM 277 CG1 VAL A 19 5.168 -3.783 3.169 1.00 33.13 C ATOM 278 CG2 VAL A 19 3.117 -5.201 3.320 1.00 13.52 C ATOM 0 H VAL A 19 1.794 -2.760 3.821 1.00 2.31 H new ATOM 0 HA VAL A 19 3.627 -2.250 1.586 1.00 53.01 H new ATOM 0 HB VAL A 19 4.158 -4.690 1.528 1.00 52.20 H new ATOM 0 HG11 VAL A 19 5.766 -4.666 3.396 1.00 33.13 H new ATOM 0 HG12 VAL A 19 5.737 -3.116 2.521 1.00 33.13 H new ATOM 0 HG13 VAL A 19 4.920 -3.265 4.095 1.00 33.13 H new ATOM 0 HG21 VAL A 19 3.753 -6.058 3.543 1.00 13.52 H new ATOM 0 HG22 VAL A 19 2.811 -4.723 4.251 1.00 13.52 H new ATOM 0 HG23 VAL A 19 2.233 -5.537 2.777 1.00 13.52 H new ATOM 288 N CYS A 20 2.181 -3.954 0.085 1.00 31.13 N ATOM 289 CA CYS A 20 1.175 -4.380 -0.872 1.00 21.05 C ATOM 290 C CYS A 20 0.604 -5.745 -0.515 1.00 71.34 C ATOM 291 O CYS A 20 1.324 -6.648 -0.086 1.00 34.24 O ATOM 292 CB CYS A 20 1.774 -4.414 -2.280 1.00 11.05 C ATOM 293 SG CYS A 20 3.441 -5.118 -2.361 1.00 21.33 S ATOM 0 H CYS A 20 3.142 -4.107 -0.221 1.00 31.13 H new ATOM 0 HA CYS A 20 0.358 -3.659 -0.841 1.00 21.05 H new ATOM 0 HB2 CYS A 20 1.116 -4.992 -2.929 1.00 11.05 H new ATOM 0 HB3 CYS A 20 1.801 -3.399 -2.676 1.00 11.05 H new ATOM 0 HG CYS A 20 3.775 -5.300 -3.604 1.00 21.33 H new ATOM 299 N ALA A 21 -0.701 -5.872 -0.672 1.00 4.14 N ATOM 300 CA ALA A 21 -1.380 -7.144 -0.516 1.00 34.25 C ATOM 301 C ALA A 21 -2.210 -7.433 -1.758 1.00 43.41 C ATOM 302 O ALA A 21 -2.992 -6.585 -2.200 1.00 44.13 O ATOM 303 CB ALA A 21 -2.257 -7.132 0.725 1.00 33.21 C ATOM 0 H ALA A 21 -1.319 -5.097 -0.911 1.00 4.14 H new ATOM 0 HA ALA A 21 -0.637 -7.933 -0.394 1.00 34.25 H new ATOM 0 HB1 ALA A 21 -2.758 -8.095 0.826 1.00 33.21 H new ATOM 0 HB2 ALA A 21 -1.640 -6.951 1.605 1.00 33.21 H new ATOM 0 HB3 ALA A 21 -3.003 -6.342 0.636 1.00 33.21 H new ATOM 309 N LEU A 22 -2.021 -8.608 -2.334 1.00 42.32 N ATOM 310 CA LEU A 22 -2.757 -8.990 -3.527 1.00 53.22 C ATOM 311 C LEU A 22 -4.108 -9.572 -3.125 1.00 31.01 C ATOM 312 O LEU A 22 -4.203 -10.727 -2.704 1.00 64.20 O ATOM 313 CB LEU A 22 -1.945 -9.996 -4.356 1.00 1.25 C ATOM 314 CG LEU A 22 -2.314 -10.107 -5.847 1.00 43.41 C ATOM 315 CD1 LEU A 22 -3.678 -10.753 -6.039 1.00 35.34 C ATOM 316 CD2 LEU A 22 -2.277 -8.736 -6.511 1.00 52.51 C ATOM 0 H LEU A 22 -1.366 -9.313 -1.996 1.00 42.32 H new ATOM 0 HA LEU A 22 -2.927 -8.110 -4.147 1.00 53.22 H new ATOM 0 HB2 LEU A 22 -0.891 -9.727 -4.283 1.00 1.25 H new ATOM 0 HB3 LEU A 22 -2.055 -10.981 -3.902 1.00 1.25 H new ATOM 0 HG LEU A 22 -1.572 -10.748 -6.323 1.00 43.41 H new ATOM 0 HD11 LEU A 22 -3.905 -10.815 -7.103 1.00 35.34 H new ATOM 0 HD12 LEU A 22 -3.669 -11.755 -5.611 1.00 35.34 H new ATOM 0 HD13 LEU A 22 -4.439 -10.152 -5.540 1.00 35.34 H new ATOM 0 HD21 LEU A 22 -2.540 -8.835 -7.564 1.00 52.51 H new ATOM 0 HD22 LEU A 22 -2.990 -8.074 -6.019 1.00 52.51 H new ATOM 0 HD23 LEU A 22 -1.274 -8.317 -6.426 1.00 52.51 H new ATOM 328 N VAL A 23 -5.142 -8.753 -3.234 1.00 42.53 N ATOM 329 CA VAL A 23 -6.489 -9.173 -2.887 1.00 11.14 C ATOM 330 C VAL A 23 -7.313 -9.359 -4.151 1.00 41.22 C ATOM 331 O VAL A 23 -7.613 -8.389 -4.851 1.00 1.54 O ATOM 332 CB VAL A 23 -7.184 -8.147 -1.967 1.00 32.43 C ATOM 333 CG1 VAL A 23 -8.568 -8.633 -1.558 1.00 41.23 C ATOM 334 CG2 VAL A 23 -6.333 -7.864 -0.738 1.00 42.10 C ATOM 0 H VAL A 23 -5.073 -7.790 -3.562 1.00 42.53 H new ATOM 0 HA VAL A 23 -6.415 -10.118 -2.348 1.00 11.14 H new ATOM 0 HB VAL A 23 -7.301 -7.219 -2.526 1.00 32.43 H new ATOM 0 HG11 VAL A 23 -9.037 -7.892 -0.910 1.00 41.23 H new ATOM 0 HG12 VAL A 23 -9.181 -8.777 -2.448 1.00 41.23 H new ATOM 0 HG13 VAL A 23 -8.478 -9.578 -1.023 1.00 41.23 H new ATOM 0 HG21 VAL A 23 -6.841 -7.138 -0.103 1.00 42.10 H new ATOM 0 HG22 VAL A 23 -6.179 -8.788 -0.181 1.00 42.10 H new ATOM 0 HG23 VAL A 23 -5.368 -7.462 -1.048 1.00 42.10 H new ATOM 344 N GLU A 24 -7.668 -10.612 -4.432 1.00 74.03 N ATOM 345 CA GLU A 24 -8.385 -10.981 -5.654 1.00 1.34 C ATOM 346 C GLU A 24 -7.525 -10.697 -6.885 1.00 51.55 C ATOM 347 O GLU A 24 -6.802 -11.574 -7.362 1.00 31.34 O ATOM 348 CB GLU A 24 -9.736 -10.258 -5.756 1.00 32.40 C ATOM 349 CG GLU A 24 -10.684 -10.555 -4.602 1.00 50.21 C ATOM 350 CD GLU A 24 -10.937 -12.038 -4.425 1.00 50.53 C ATOM 351 OE1 GLU A 24 -11.291 -12.711 -5.417 1.00 12.45 O ATOM 352 OE2 GLU A 24 -10.795 -12.537 -3.292 1.00 43.53 O ATOM 0 H GLU A 24 -7.467 -11.402 -3.819 1.00 74.03 H new ATOM 0 HA GLU A 24 -8.588 -12.051 -5.610 1.00 1.34 H new ATOM 0 HB2 GLU A 24 -9.559 -9.183 -5.801 1.00 32.40 H new ATOM 0 HB3 GLU A 24 -10.219 -10.541 -6.692 1.00 32.40 H new ATOM 0 HG2 GLU A 24 -10.268 -10.148 -3.680 1.00 50.21 H new ATOM 0 HG3 GLU A 24 -11.632 -10.046 -4.775 1.00 50.21 H new ATOM 359 N GLN A 25 -7.602 -9.473 -7.390 1.00 22.45 N ATOM 360 CA GLN A 25 -6.769 -9.043 -8.511 1.00 41.05 C ATOM 361 C GLN A 25 -6.146 -7.687 -8.205 1.00 44.51 C ATOM 362 O GLN A 25 -5.302 -7.190 -8.948 1.00 23.05 O ATOM 363 CB GLN A 25 -7.597 -8.927 -9.794 1.00 32.14 C ATOM 364 CG GLN A 25 -8.499 -10.114 -10.072 1.00 74.15 C ATOM 365 CD GLN A 25 -9.348 -9.915 -11.313 1.00 61.13 C ATOM 366 OE1 GLN A 25 -8.982 -10.335 -12.410 1.00 40.51 O ATOM 367 NE2 GLN A 25 -10.465 -9.231 -11.157 1.00 61.30 N ATOM 0 H GLN A 25 -8.236 -8.755 -7.040 1.00 22.45 H new ATOM 0 HA GLN A 25 -5.989 -9.790 -8.656 1.00 41.05 H new ATOM 0 HB2 GLN A 25 -8.210 -8.027 -9.735 1.00 32.14 H new ATOM 0 HB3 GLN A 25 -6.919 -8.797 -10.638 1.00 32.14 H new ATOM 0 HG2 GLN A 25 -7.890 -11.010 -10.191 1.00 74.15 H new ATOM 0 HG3 GLN A 25 -9.149 -10.282 -9.213 1.00 74.15 H new ATOM 0 HE21 GLN A 25 -10.735 -8.899 -10.231 1.00 61.30 H new ATOM 0 HE22 GLN A 25 -11.059 -9.034 -11.962 1.00 61.30 H new ATOM 376 N GLN A 26 -6.561 -7.103 -7.092 1.00 20.31 N ATOM 377 CA GLN A 26 -6.197 -5.737 -6.761 1.00 51.21 C ATOM 378 C GLN A 26 -4.905 -5.669 -5.957 1.00 64.02 C ATOM 379 O GLN A 26 -4.674 -6.473 -5.051 1.00 42.43 O ATOM 380 CB GLN A 26 -7.329 -5.077 -5.975 1.00 65.24 C ATOM 381 CG GLN A 26 -8.201 -4.148 -6.802 1.00 40.44 C ATOM 382 CD GLN A 26 -7.495 -2.850 -7.167 1.00 43.24 C ATOM 383 OE1 GLN A 26 -7.774 -2.241 -8.198 1.00 4.21 O ATOM 384 NE2 GLN A 26 -6.587 -2.408 -6.312 1.00 61.10 N ATOM 0 H GLN A 26 -7.154 -7.559 -6.399 1.00 20.31 H new ATOM 0 HA GLN A 26 -6.032 -5.203 -7.697 1.00 51.21 H new ATOM 0 HB2 GLN A 26 -7.956 -5.855 -5.540 1.00 65.24 H new ATOM 0 HB3 GLN A 26 -6.901 -4.513 -5.146 1.00 65.24 H new ATOM 0 HG2 GLN A 26 -8.506 -4.660 -7.715 1.00 40.44 H new ATOM 0 HG3 GLN A 26 -9.110 -3.919 -6.246 1.00 40.44 H new ATOM 0 HE21 GLN A 26 -6.381 -2.940 -5.466 1.00 61.10 H new ATOM 0 HE22 GLN A 26 -6.093 -1.535 -6.499 1.00 61.10 H new ATOM 393 N GLN A 27 -4.074 -4.694 -6.297 1.00 44.24 N ATOM 394 CA GLN A 27 -2.857 -4.418 -5.553 1.00 51.24 C ATOM 395 C GLN A 27 -3.084 -3.227 -4.626 1.00 62.14 C ATOM 396 O GLN A 27 -3.120 -2.081 -5.078 1.00 74.00 O ATOM 397 CB GLN A 27 -1.704 -4.114 -6.513 1.00 15.24 C ATOM 398 CG GLN A 27 -1.359 -5.256 -7.456 1.00 32.25 C ATOM 399 CD GLN A 27 -0.297 -4.872 -8.469 1.00 33.32 C ATOM 400 OE1 GLN A 27 -0.607 -4.394 -9.558 1.00 24.01 O ATOM 401 NE2 GLN A 27 0.963 -5.077 -8.116 1.00 43.01 N ATOM 0 H GLN A 27 -4.225 -4.075 -7.094 1.00 44.24 H new ATOM 0 HA GLN A 27 -2.598 -5.296 -4.961 1.00 51.24 H new ATOM 0 HB2 GLN A 27 -1.961 -3.235 -7.104 1.00 15.24 H new ATOM 0 HB3 GLN A 27 -0.819 -3.859 -5.930 1.00 15.24 H new ATOM 0 HG2 GLN A 27 -1.011 -6.110 -6.875 1.00 32.25 H new ATOM 0 HG3 GLN A 27 -2.260 -5.574 -7.981 1.00 32.25 H new ATOM 0 HE21 GLN A 27 1.178 -5.476 -7.202 1.00 43.01 H new ATOM 0 HE22 GLN A 27 1.718 -4.836 -8.758 1.00 43.01 H new ATOM 410 N ILE A 28 -3.261 -3.495 -3.340 1.00 11.44 N ATOM 411 CA ILE A 28 -3.514 -2.433 -2.370 1.00 30.14 C ATOM 412 C ILE A 28 -2.414 -2.408 -1.317 1.00 64.02 C ATOM 413 O ILE A 28 -1.916 -3.457 -0.912 1.00 52.31 O ATOM 414 CB ILE A 28 -4.876 -2.611 -1.650 1.00 55.23 C ATOM 415 CG1 ILE A 28 -5.993 -2.968 -2.633 1.00 31.42 C ATOM 416 CG2 ILE A 28 -5.246 -1.349 -0.888 1.00 63.13 C ATOM 417 CD1 ILE A 28 -6.204 -4.458 -2.788 1.00 43.41 C ATOM 0 H ILE A 28 -3.235 -4.434 -2.943 1.00 11.44 H new ATOM 0 HA ILE A 28 -3.534 -1.497 -2.927 1.00 30.14 H new ATOM 0 HB ILE A 28 -4.766 -3.437 -0.947 1.00 55.23 H new ATOM 0 HG12 ILE A 28 -6.923 -2.510 -2.296 1.00 31.42 H new ATOM 0 HG13 ILE A 28 -5.760 -2.538 -3.607 1.00 31.42 H new ATOM 0 HG21 ILE A 28 -6.205 -1.493 -0.389 1.00 63.13 H new ATOM 0 HG22 ILE A 28 -4.479 -1.135 -0.144 1.00 63.13 H new ATOM 0 HG23 ILE A 28 -5.321 -0.513 -1.583 1.00 63.13 H new ATOM 0 HD11 ILE A 28 -7.010 -4.639 -3.499 1.00 43.41 H new ATOM 0 HD12 ILE A 28 -5.287 -4.919 -3.154 1.00 43.41 H new ATOM 0 HD13 ILE A 28 -6.467 -4.891 -1.823 1.00 43.41 H new ATOM 429 N ALA A 29 -2.027 -1.215 -0.893 1.00 14.51 N ATOM 430 CA ALA A 29 -1.047 -1.058 0.167 1.00 44.20 C ATOM 431 C ALA A 29 -1.753 -0.676 1.457 1.00 65.31 C ATOM 432 O ALA A 29 -2.594 0.224 1.471 1.00 73.12 O ATOM 433 CB ALA A 29 -0.016 -0.009 -0.209 1.00 50.10 C ATOM 0 H ALA A 29 -2.381 -0.336 -1.271 1.00 14.51 H new ATOM 0 HA ALA A 29 -0.525 -2.004 0.313 1.00 44.20 H new ATOM 0 HB1 ALA A 29 0.709 0.094 0.598 1.00 50.10 H new ATOM 0 HB2 ALA A 29 0.497 -0.314 -1.121 1.00 50.10 H new ATOM 0 HB3 ALA A 29 -0.513 0.947 -0.374 1.00 50.10 H new ATOM 439 N VAL A 30 -1.423 -1.361 2.536 1.00 43.03 N ATOM 440 CA VAL A 30 -2.111 -1.142 3.801 1.00 41.41 C ATOM 441 C VAL A 30 -1.196 -0.437 4.788 1.00 31.33 C ATOM 442 O VAL A 30 -0.333 -1.058 5.408 1.00 1.24 O ATOM 443 CB VAL A 30 -2.613 -2.465 4.417 1.00 73.05 C ATOM 444 CG1 VAL A 30 -3.436 -2.195 5.669 1.00 13.13 C ATOM 445 CG2 VAL A 30 -3.424 -3.260 3.401 1.00 12.32 C ATOM 0 H VAL A 30 -0.689 -2.069 2.566 1.00 43.03 H new ATOM 0 HA VAL A 30 -2.977 -0.514 3.593 1.00 41.41 H new ATOM 0 HB VAL A 30 -1.745 -3.061 4.700 1.00 73.05 H new ATOM 0 HG11 VAL A 30 -3.781 -3.140 6.089 1.00 13.13 H new ATOM 0 HG12 VAL A 30 -2.821 -1.675 6.403 1.00 13.13 H new ATOM 0 HG13 VAL A 30 -4.296 -1.577 5.413 1.00 13.13 H new ATOM 0 HG21 VAL A 30 -3.768 -4.189 3.856 1.00 12.32 H new ATOM 0 HG22 VAL A 30 -4.285 -2.672 3.082 1.00 12.32 H new ATOM 0 HG23 VAL A 30 -2.801 -3.489 2.537 1.00 12.32 H new ATOM 455 N PHE A 31 -1.382 0.867 4.909 1.00 35.34 N ATOM 456 CA PHE A 31 -0.600 1.679 5.825 1.00 53.14 C ATOM 457 C PHE A 31 -1.066 1.468 7.252 1.00 43.21 C ATOM 458 O PHE A 31 -2.247 1.620 7.544 1.00 3.54 O ATOM 459 CB PHE A 31 -0.754 3.171 5.504 1.00 22.32 C ATOM 460 CG PHE A 31 -0.178 3.613 4.190 1.00 40.43 C ATOM 461 CD1 PHE A 31 -0.809 3.305 2.996 1.00 40.03 C ATOM 462 CD2 PHE A 31 0.986 4.361 4.157 1.00 31.32 C ATOM 463 CE1 PHE A 31 -0.285 3.732 1.793 1.00 44.40 C ATOM 464 CE2 PHE A 31 1.512 4.794 2.957 1.00 60.23 C ATOM 465 CZ PHE A 31 0.875 4.479 1.772 1.00 4.13 C ATOM 0 H PHE A 31 -2.077 1.391 4.377 1.00 35.34 H new ATOM 0 HA PHE A 31 0.441 1.377 5.713 1.00 53.14 H new ATOM 0 HB2 PHE A 31 -1.815 3.420 5.518 1.00 22.32 H new ATOM 0 HB3 PHE A 31 -0.281 3.747 6.300 1.00 22.32 H new ATOM 0 HD1 PHE A 31 -1.720 2.725 3.007 1.00 40.03 H new ATOM 0 HD2 PHE A 31 1.488 4.609 5.081 1.00 31.32 H new ATOM 0 HE1 PHE A 31 -0.783 3.482 0.868 1.00 44.40 H new ATOM 0 HE2 PHE A 31 2.420 5.378 2.944 1.00 60.23 H new ATOM 0 HZ PHE A 31 1.284 4.817 0.831 1.00 4.13 H new ATOM 475 N ARG A 32 -0.160 1.105 8.135 1.00 42.42 N ATOM 476 CA ARG A 32 -0.431 1.210 9.555 1.00 52.54 C ATOM 477 C ARG A 32 0.445 2.310 10.122 1.00 1.35 C ATOM 478 O ARG A 32 1.562 2.058 10.559 1.00 70.52 O ATOM 479 CB ARG A 32 -0.207 -0.112 10.295 1.00 3.14 C ATOM 480 CG ARG A 32 -0.721 -0.078 11.727 1.00 3.44 C ATOM 481 CD ARG A 32 -0.627 -1.434 12.408 1.00 42.12 C ATOM 482 NE ARG A 32 -1.169 -1.396 13.771 1.00 53.44 N ATOM 483 CZ ARG A 32 -1.482 -2.479 14.490 1.00 23.54 C ATOM 484 NH1 ARG A 32 -1.258 -3.693 14.007 1.00 33.32 N ATOM 485 NH2 ARG A 32 -2.007 -2.341 15.705 1.00 60.41 N ATOM 0 H ARG A 32 0.762 0.738 7.899 1.00 42.42 H new ATOM 0 HA ARG A 32 -1.484 1.453 9.697 1.00 52.54 H new ATOM 0 HB2 ARG A 32 -0.706 -0.916 9.753 1.00 3.14 H new ATOM 0 HB3 ARG A 32 0.858 -0.344 10.301 1.00 3.14 H new ATOM 0 HG2 ARG A 32 -0.149 0.653 12.298 1.00 3.44 H new ATOM 0 HG3 ARG A 32 -1.759 0.256 11.730 1.00 3.44 H new ATOM 0 HD2 ARG A 32 -1.170 -2.174 11.821 1.00 42.12 H new ATOM 0 HD3 ARG A 32 0.415 -1.754 12.439 1.00 42.12 H new ATOM 0 HE ARG A 32 -1.317 -0.482 14.199 1.00 53.44 H new ATOM 0 HH11 ARG A 32 -0.844 -3.805 13.081 1.00 33.32 H new ATOM 0 HH12 ARG A 32 -1.499 -4.515 14.561 1.00 33.32 H new ATOM 0 HH21 ARG A 32 -2.170 -1.410 16.087 1.00 60.41 H new ATOM 0 HH22 ARG A 32 -2.246 -3.167 16.254 1.00 60.41 H new ATOM 499 N PRO A 33 -0.038 3.561 10.078 1.00 23.31 N ATOM 500 CA PRO A 33 0.770 4.730 10.424 1.00 44.13 C ATOM 501 C PRO A 33 0.885 4.947 11.921 1.00 23.31 C ATOM 502 O PRO A 33 1.707 5.735 12.387 1.00 63.33 O ATOM 503 CB PRO A 33 0.001 5.875 9.770 1.00 41.51 C ATOM 504 CG PRO A 33 -1.426 5.438 9.797 1.00 0.54 C ATOM 505 CD PRO A 33 -1.412 3.935 9.684 1.00 43.04 C ATOM 0 HA PRO A 33 1.801 4.631 10.085 1.00 44.13 H new ATOM 0 HB2 PRO A 33 0.140 6.808 10.316 1.00 41.51 H new ATOM 0 HB3 PRO A 33 0.342 6.049 8.750 1.00 41.51 H new ATOM 0 HG2 PRO A 33 -1.912 5.754 10.720 1.00 0.54 H new ATOM 0 HG3 PRO A 33 -1.985 5.884 8.974 1.00 0.54 H new ATOM 0 HD2 PRO A 33 -2.154 3.478 10.339 1.00 43.04 H new ATOM 0 HD3 PRO A 33 -1.639 3.609 8.669 1.00 43.04 H new ATOM 513 N ARG A 34 0.052 4.256 12.666 1.00 73.31 N ATOM 514 CA ARG A 34 0.087 4.345 14.110 1.00 33.32 C ATOM 515 C ARG A 34 0.436 2.996 14.710 1.00 0.01 C ATOM 516 O ARG A 34 0.344 1.964 14.041 1.00 43.55 O ATOM 517 CB ARG A 34 -1.258 4.820 14.665 1.00 33.53 C ATOM 518 CG ARG A 34 -1.704 6.176 14.144 1.00 43.10 C ATOM 519 CD ARG A 34 -2.817 6.751 15.005 1.00 4.55 C ATOM 520 NE ARG A 34 -2.349 7.048 16.360 1.00 41.14 N ATOM 521 CZ ARG A 34 -3.013 6.727 17.471 1.00 53.02 C ATOM 522 NH1 ARG A 34 -4.190 6.118 17.398 1.00 14.12 N ATOM 523 NH2 ARG A 34 -2.504 7.022 18.661 1.00 53.24 N ATOM 0 H ARG A 34 -0.659 3.625 12.296 1.00 73.31 H new ATOM 0 HA ARG A 34 0.852 5.073 14.382 1.00 33.32 H new ATOM 0 HB2 ARG A 34 -2.021 4.081 14.420 1.00 33.53 H new ATOM 0 HB3 ARG A 34 -1.194 4.864 15.752 1.00 33.53 H new ATOM 0 HG2 ARG A 34 -0.857 6.862 14.133 1.00 43.10 H new ATOM 0 HG3 ARG A 34 -2.049 6.079 13.115 1.00 43.10 H new ATOM 0 HD2 ARG A 34 -3.201 7.661 14.544 1.00 4.55 H new ATOM 0 HD3 ARG A 34 -3.645 6.043 15.052 1.00 4.55 H new ATOM 0 HE ARG A 34 -1.457 7.532 16.461 1.00 41.14 H new ATOM 0 HH11 ARG A 34 -4.592 5.893 16.488 1.00 14.12 H new ATOM 0 HH12 ARG A 34 -4.692 5.875 18.252 1.00 14.12 H new ATOM 0 HH21 ARG A 34 -1.603 7.495 18.727 1.00 53.24 H new ATOM 0 HH22 ARG A 34 -3.014 6.775 19.509 1.00 53.24 H new ATOM 537 N ASN A 35 0.833 3.011 15.974 1.00 54.03 N ATOM 538 CA ASN A 35 1.084 1.781 16.717 1.00 2.33 C ATOM 539 C ASN A 35 -0.237 1.197 17.197 1.00 70.00 C ATOM 540 O ASN A 35 -0.288 0.127 17.806 1.00 53.34 O ATOM 541 CB ASN A 35 2.020 2.046 17.905 1.00 73.12 C ATOM 542 CG ASN A 35 3.448 2.336 17.475 1.00 25.14 C ATOM 543 OD1 ASN A 35 3.694 2.826 16.372 1.00 12.12 O ATOM 544 ND2 ASN A 35 4.405 2.039 18.343 1.00 64.34 N ATOM 0 H ASN A 35 0.989 3.865 16.510 1.00 54.03 H new ATOM 0 HA ASN A 35 1.573 1.063 16.058 1.00 2.33 H new ATOM 0 HB2 ASN A 35 1.640 2.890 18.480 1.00 73.12 H new ATOM 0 HB3 ASN A 35 2.013 1.180 18.567 1.00 73.12 H new ATOM 0 HD21 ASN A 35 5.381 2.215 18.106 1.00 64.34 H new ATOM 0 HD22 ASN A 35 4.165 1.634 19.248 1.00 64.34 H new ATOM 551 N ASP A 36 -1.311 1.913 16.894 1.00 53.51 N ATOM 552 CA ASP A 36 -2.652 1.488 17.250 1.00 71.43 C ATOM 553 C ASP A 36 -3.260 0.700 16.096 1.00 31.24 C ATOM 554 O ASP A 36 -2.631 0.538 15.050 1.00 74.52 O ATOM 555 CB ASP A 36 -3.520 2.704 17.599 1.00 73.42 C ATOM 556 CG ASP A 36 -4.880 2.311 18.133 1.00 32.32 C ATOM 557 OD1 ASP A 36 -4.932 1.554 19.125 1.00 40.20 O ATOM 558 OD2 ASP A 36 -5.895 2.720 17.541 1.00 22.51 O ATOM 0 H ASP A 36 -1.275 2.802 16.396 1.00 53.51 H new ATOM 0 HA ASP A 36 -2.606 0.844 18.128 1.00 71.43 H new ATOM 0 HB2 ASP A 36 -3.004 3.314 18.341 1.00 73.42 H new ATOM 0 HB3 ASP A 36 -3.647 3.323 16.711 1.00 73.42 H new ATOM 563 N GLU A 37 -4.475 0.219 16.284 1.00 45.23 N ATOM 564 CA GLU A 37 -5.139 -0.639 15.313 1.00 15.22 C ATOM 565 C GLU A 37 -5.871 0.181 14.245 1.00 43.21 C ATOM 566 O GLU A 37 -7.017 -0.108 13.894 1.00 61.04 O ATOM 567 CB GLU A 37 -6.107 -1.561 16.055 1.00 5.11 C ATOM 568 CG GLU A 37 -5.404 -2.536 16.991 1.00 54.54 C ATOM 569 CD GLU A 37 -6.371 -3.365 17.814 1.00 54.24 C ATOM 570 OE1 GLU A 37 -6.824 -4.423 17.330 1.00 15.34 O ATOM 571 OE2 GLU A 37 -6.671 -2.967 18.959 1.00 34.35 O ATOM 0 H GLU A 37 -5.033 0.411 17.116 1.00 45.23 H new ATOM 0 HA GLU A 37 -4.390 -1.235 14.792 1.00 15.22 H new ATOM 0 HB2 GLU A 37 -6.808 -0.955 16.630 1.00 5.11 H new ATOM 0 HB3 GLU A 37 -6.693 -2.123 15.328 1.00 5.11 H new ATOM 0 HG2 GLU A 37 -4.770 -3.202 16.405 1.00 54.54 H new ATOM 0 HG3 GLU A 37 -4.748 -1.980 17.661 1.00 54.54 H new ATOM 578 N GLN A 38 -5.188 1.185 13.713 1.00 1.34 N ATOM 579 CA GLN A 38 -5.752 2.023 12.664 1.00 31.35 C ATOM 580 C GLN A 38 -4.915 1.881 11.396 1.00 71.05 C ATOM 581 O GLN A 38 -3.689 2.011 11.441 1.00 33.41 O ATOM 582 CB GLN A 38 -5.809 3.486 13.129 1.00 43.54 C ATOM 583 CG GLN A 38 -6.756 4.365 12.315 1.00 63.12 C ATOM 584 CD GLN A 38 -6.207 4.745 10.956 1.00 42.41 C ATOM 585 OE1 GLN A 38 -5.001 4.927 10.782 1.00 61.33 O ATOM 586 NE2 GLN A 38 -7.088 4.849 9.976 1.00 5.23 N ATOM 0 H GLN A 38 -4.240 1.439 13.991 1.00 1.34 H new ATOM 0 HA GLN A 38 -6.770 1.701 12.446 1.00 31.35 H new ATOM 0 HB2 GLN A 38 -6.116 3.512 14.175 1.00 43.54 H new ATOM 0 HB3 GLN A 38 -4.806 3.910 13.081 1.00 43.54 H new ATOM 0 HG2 GLN A 38 -7.702 3.841 12.182 1.00 63.12 H new ATOM 0 HG3 GLN A 38 -6.971 5.273 12.878 1.00 63.12 H new ATOM 0 HE21 GLN A 38 -8.078 4.690 10.162 1.00 5.23 H new ATOM 0 HE22 GLN A 38 -6.777 5.088 9.034 1.00 5.23 H new ATOM 595 N VAL A 39 -5.576 1.603 10.277 1.00 0.53 N ATOM 596 CA VAL A 39 -4.880 1.376 9.013 1.00 54.42 C ATOM 597 C VAL A 39 -5.505 2.156 7.854 1.00 11.14 C ATOM 598 O VAL A 39 -6.643 2.620 7.934 1.00 4.03 O ATOM 599 CB VAL A 39 -4.850 -0.124 8.640 1.00 64.51 C ATOM 600 CG1 VAL A 39 -3.960 -0.901 9.597 1.00 63.11 C ATOM 601 CG2 VAL A 39 -6.258 -0.706 8.622 1.00 31.21 C ATOM 0 H VAL A 39 -6.592 1.529 10.218 1.00 0.53 H new ATOM 0 HA VAL A 39 -3.863 1.735 9.170 1.00 54.42 H new ATOM 0 HB VAL A 39 -4.432 -0.214 7.637 1.00 64.51 H new ATOM 0 HG11 VAL A 39 -3.954 -1.954 9.315 1.00 63.11 H new ATOM 0 HG12 VAL A 39 -2.945 -0.507 9.550 1.00 63.11 H new ATOM 0 HG13 VAL A 39 -4.342 -0.800 10.613 1.00 63.11 H new ATOM 0 HG21 VAL A 39 -6.212 -1.762 8.357 1.00 31.21 H new ATOM 0 HG22 VAL A 39 -6.709 -0.599 9.609 1.00 31.21 H new ATOM 0 HG23 VAL A 39 -6.862 -0.174 7.887 1.00 31.21 H new ATOM 611 N TYR A 40 -4.737 2.284 6.778 1.00 22.42 N ATOM 612 CA TYR A 40 -5.189 2.926 5.549 1.00 40.34 C ATOM 613 C TYR A 40 -4.835 2.067 4.340 1.00 73.14 C ATOM 614 O TYR A 40 -3.669 1.984 3.957 1.00 30.12 O ATOM 615 CB TYR A 40 -4.544 4.305 5.375 1.00 21.42 C ATOM 616 CG TYR A 40 -5.150 5.397 6.231 1.00 11.41 C ATOM 617 CD1 TYR A 40 -6.351 5.999 5.872 1.00 40.54 C ATOM 618 CD2 TYR A 40 -4.518 5.836 7.387 1.00 3.40 C ATOM 619 CE1 TYR A 40 -6.901 7.008 6.638 1.00 3.31 C ATOM 620 CE2 TYR A 40 -5.064 6.842 8.159 1.00 75.05 C ATOM 621 CZ TYR A 40 -6.255 7.424 7.781 1.00 14.34 C ATOM 622 OH TYR A 40 -6.801 8.430 8.547 1.00 21.20 O ATOM 0 H TYR A 40 -3.777 1.943 6.733 1.00 22.42 H new ATOM 0 HA TYR A 40 -6.270 3.042 5.621 1.00 40.34 H new ATOM 0 HB2 TYR A 40 -3.482 4.227 5.607 1.00 21.42 H new ATOM 0 HB3 TYR A 40 -4.620 4.598 4.328 1.00 21.42 H new ATOM 0 HD1 TYR A 40 -6.862 5.672 4.979 1.00 40.54 H new ATOM 0 HD2 TYR A 40 -3.584 5.383 7.687 1.00 3.40 H new ATOM 0 HE1 TYR A 40 -7.832 7.468 6.342 1.00 3.31 H new ATOM 0 HE2 TYR A 40 -4.560 7.172 9.055 1.00 75.05 H new ATOM 0 HH TYR A 40 -6.223 8.604 9.319 1.00 21.20 H new ATOM 632 N ALA A 41 -5.826 1.428 3.746 1.00 61.31 N ATOM 633 CA ALA A 41 -5.590 0.600 2.573 1.00 54.41 C ATOM 634 C ALA A 41 -5.893 1.362 1.288 1.00 42.11 C ATOM 635 O ALA A 41 -7.053 1.528 0.910 1.00 73.35 O ATOM 636 CB ALA A 41 -6.416 -0.674 2.650 1.00 51.32 C ATOM 0 H ALA A 41 -6.798 1.465 4.053 1.00 61.31 H new ATOM 0 HA ALA A 41 -4.534 0.330 2.557 1.00 54.41 H new ATOM 0 HB1 ALA A 41 -6.229 -1.283 1.766 1.00 51.32 H new ATOM 0 HB2 ALA A 41 -6.138 -1.235 3.542 1.00 51.32 H new ATOM 0 HB3 ALA A 41 -7.475 -0.419 2.697 1.00 51.32 H new ATOM 642 N ILE A 42 -4.845 1.833 0.627 1.00 64.35 N ATOM 643 CA ILE A 42 -4.991 2.543 -0.635 1.00 52.33 C ATOM 644 C ILE A 42 -4.047 1.951 -1.678 1.00 11.23 C ATOM 645 O ILE A 42 -3.030 1.347 -1.335 1.00 52.43 O ATOM 646 CB ILE A 42 -4.731 4.061 -0.483 1.00 55.20 C ATOM 647 CG1 ILE A 42 -3.336 4.321 0.088 1.00 63.04 C ATOM 648 CG2 ILE A 42 -5.795 4.696 0.405 1.00 11.05 C ATOM 649 CD1 ILE A 42 -3.016 5.792 0.256 1.00 1.02 C ATOM 0 H ILE A 42 -3.881 1.735 0.946 1.00 64.35 H new ATOM 0 HA ILE A 42 -6.023 2.421 -0.963 1.00 52.33 H new ATOM 0 HB ILE A 42 -4.784 4.516 -1.472 1.00 55.20 H new ATOM 0 HG12 ILE A 42 -3.250 3.826 1.055 1.00 63.04 H new ATOM 0 HG13 ILE A 42 -2.593 3.868 -0.569 1.00 63.04 H new ATOM 0 HG21 ILE A 42 -5.598 5.764 0.502 1.00 11.05 H new ATOM 0 HG22 ILE A 42 -6.778 4.547 -0.042 1.00 11.05 H new ATOM 0 HG23 ILE A 42 -5.771 4.232 1.391 1.00 11.05 H new ATOM 0 HD11 ILE A 42 -2.012 5.901 0.665 1.00 1.02 H new ATOM 0 HD12 ILE A 42 -3.069 6.289 -0.713 1.00 1.02 H new ATOM 0 HD13 ILE A 42 -3.736 6.246 0.937 1.00 1.02 H new ATOM 661 N SER A 43 -4.383 2.103 -2.946 1.00 21.23 N ATOM 662 CA SER A 43 -3.629 1.445 -4.003 1.00 43.44 C ATOM 663 C SER A 43 -2.490 2.322 -4.523 1.00 42.33 C ATOM 664 O SER A 43 -2.655 3.052 -5.498 1.00 23.42 O ATOM 665 CB SER A 43 -4.573 1.061 -5.143 1.00 75.05 C ATOM 666 OG SER A 43 -5.664 0.298 -4.651 1.00 40.51 O ATOM 0 H SER A 43 -5.166 2.671 -3.270 1.00 21.23 H new ATOM 0 HA SER A 43 -3.176 0.546 -3.586 1.00 43.44 H new ATOM 0 HB2 SER A 43 -4.943 1.961 -5.635 1.00 75.05 H new ATOM 0 HB3 SER A 43 -4.030 0.487 -5.895 1.00 75.05 H new ATOM 0 HG SER A 43 -6.449 0.877 -4.550 1.00 40.51 H new ATOM 672 N ASN A 44 -1.339 2.255 -3.859 1.00 12.21 N ATOM 673 CA ASN A 44 -0.149 2.987 -4.305 1.00 61.13 C ATOM 674 C ASN A 44 1.094 2.102 -4.242 1.00 11.14 C ATOM 675 O ASN A 44 2.031 2.352 -3.486 1.00 11.20 O ATOM 676 CB ASN A 44 0.068 4.285 -3.504 1.00 45.54 C ATOM 677 CG ASN A 44 0.018 4.108 -1.996 1.00 13.32 C ATOM 678 OD1 ASN A 44 0.247 3.026 -1.463 1.00 74.23 O ATOM 679 ND2 ASN A 44 -0.266 5.191 -1.293 1.00 23.12 N ATOM 0 H ASN A 44 -1.202 1.704 -3.012 1.00 12.21 H new ATOM 0 HA ASN A 44 -0.321 3.270 -5.343 1.00 61.13 H new ATOM 0 HB2 ASN A 44 1.035 4.708 -3.776 1.00 45.54 H new ATOM 0 HB3 ASN A 44 -0.691 5.010 -3.798 1.00 45.54 H new ATOM 0 HD21 ASN A 44 -0.300 5.144 -0.275 1.00 23.12 H new ATOM 0 HD22 ASN A 44 -0.451 6.074 -1.769 1.00 23.12 H new ATOM 686 N ILE A 45 1.097 1.071 -5.071 1.00 43.42 N ATOM 687 CA ILE A 45 2.147 0.060 -5.048 1.00 0.22 C ATOM 688 C ILE A 45 3.355 0.500 -5.861 1.00 41.34 C ATOM 689 O ILE A 45 4.453 -0.048 -5.709 1.00 21.20 O ATOM 690 CB ILE A 45 1.617 -1.281 -5.608 1.00 62.44 C ATOM 691 CG1 ILE A 45 0.195 -1.556 -5.104 1.00 13.12 C ATOM 692 CG2 ILE A 45 2.540 -2.428 -5.229 1.00 11.51 C ATOM 693 CD1 ILE A 45 0.081 -1.616 -3.599 1.00 73.14 C ATOM 0 H ILE A 45 0.377 0.910 -5.776 1.00 43.42 H new ATOM 0 HA ILE A 45 2.453 -0.072 -4.010 1.00 0.22 H new ATOM 0 HB ILE A 45 1.591 -1.204 -6.695 1.00 62.44 H new ATOM 0 HG12 ILE A 45 -0.470 -0.777 -5.478 1.00 13.12 H new ATOM 0 HG13 ILE A 45 -0.152 -2.500 -5.523 1.00 13.12 H new ATOM 0 HG21 ILE A 45 2.147 -3.360 -5.634 1.00 11.51 H new ATOM 0 HG22 ILE A 45 3.534 -2.246 -5.638 1.00 11.51 H new ATOM 0 HG23 ILE A 45 2.602 -2.501 -4.143 1.00 11.51 H new ATOM 0 HD11 ILE A 45 -0.954 -1.814 -3.320 1.00 73.14 H new ATOM 0 HD12 ILE A 45 0.718 -2.414 -3.217 1.00 73.14 H new ATOM 0 HD13 ILE A 45 0.396 -0.664 -3.172 1.00 73.14 H new ATOM 705 N ASP A 46 3.134 1.514 -6.687 1.00 11.22 N ATOM 706 CA ASP A 46 4.137 2.009 -7.635 1.00 5.45 C ATOM 707 C ASP A 46 4.428 0.962 -8.710 1.00 74.31 C ATOM 708 O ASP A 46 4.855 -0.155 -8.413 1.00 45.33 O ATOM 709 CB ASP A 46 5.429 2.415 -6.921 1.00 65.35 C ATOM 710 CG ASP A 46 6.487 2.907 -7.885 1.00 22.43 C ATOM 711 OD1 ASP A 46 7.198 2.061 -8.463 1.00 42.43 O ATOM 712 OD2 ASP A 46 6.602 4.135 -8.070 1.00 53.52 O ATOM 0 H ASP A 46 2.251 2.023 -6.722 1.00 11.22 H new ATOM 0 HA ASP A 46 3.726 2.897 -8.115 1.00 5.45 H new ATOM 0 HB2 ASP A 46 5.210 3.198 -6.195 1.00 65.35 H new ATOM 0 HB3 ASP A 46 5.817 1.563 -6.363 1.00 65.35 H new ATOM 717 N PRO A 47 4.208 1.318 -9.981 1.00 61.34 N ATOM 718 CA PRO A 47 4.314 0.381 -11.101 1.00 61.22 C ATOM 719 C PRO A 47 5.756 0.039 -11.476 1.00 64.24 C ATOM 720 O PRO A 47 5.992 -0.803 -12.344 1.00 42.32 O ATOM 721 CB PRO A 47 3.628 1.118 -12.264 1.00 1.42 C ATOM 722 CG PRO A 47 3.051 2.371 -11.682 1.00 54.40 C ATOM 723 CD PRO A 47 3.837 2.660 -10.438 1.00 40.42 C ATOM 0 HA PRO A 47 3.859 -0.577 -10.848 1.00 61.22 H new ATOM 0 HB2 PRO A 47 4.343 1.349 -13.054 1.00 1.42 H new ATOM 0 HB3 PRO A 47 2.848 0.501 -12.710 1.00 1.42 H new ATOM 0 HG2 PRO A 47 3.125 3.197 -12.389 1.00 54.40 H new ATOM 0 HG3 PRO A 47 1.993 2.241 -11.452 1.00 54.40 H new ATOM 0 HD2 PRO A 47 4.713 3.275 -10.645 1.00 40.42 H new ATOM 0 HD3 PRO A 47 3.242 3.192 -9.696 1.00 40.42 H new ATOM 731 N PHE A 48 6.715 0.680 -10.825 1.00 31.15 N ATOM 732 CA PHE A 48 8.117 0.454 -11.136 1.00 45.32 C ATOM 733 C PHE A 48 8.746 -0.515 -10.137 1.00 61.12 C ATOM 734 O PHE A 48 9.633 -1.298 -10.490 1.00 53.32 O ATOM 735 CB PHE A 48 8.878 1.786 -11.145 1.00 12.52 C ATOM 736 CG PHE A 48 10.323 1.659 -11.542 1.00 43.41 C ATOM 737 CD1 PHE A 48 10.678 1.481 -12.872 1.00 72.12 C ATOM 738 CD2 PHE A 48 11.330 1.718 -10.588 1.00 43.04 C ATOM 739 CE1 PHE A 48 12.004 1.361 -13.240 1.00 44.00 C ATOM 740 CE2 PHE A 48 12.657 1.599 -10.952 1.00 13.22 C ATOM 741 CZ PHE A 48 12.995 1.422 -12.279 1.00 62.41 C ATOM 0 H PHE A 48 6.549 1.358 -10.081 1.00 31.15 H new ATOM 0 HA PHE A 48 8.182 0.006 -12.128 1.00 45.32 H new ATOM 0 HB2 PHE A 48 8.382 2.472 -11.831 1.00 12.52 H new ATOM 0 HB3 PHE A 48 8.822 2.232 -10.152 1.00 12.52 H new ATOM 0 HD1 PHE A 48 9.908 1.436 -13.628 1.00 72.12 H new ATOM 0 HD2 PHE A 48 11.073 1.859 -9.549 1.00 43.04 H new ATOM 0 HE1 PHE A 48 12.266 1.220 -14.278 1.00 44.00 H new ATOM 0 HE2 PHE A 48 13.430 1.644 -10.199 1.00 13.22 H new ATOM 0 HZ PHE A 48 14.032 1.331 -12.565 1.00 62.41 H new ATOM 751 N ALA A 49 8.270 -0.486 -8.901 1.00 20.45 N ATOM 752 CA ALA A 49 8.859 -1.296 -7.845 1.00 35.43 C ATOM 753 C ALA A 49 7.941 -2.445 -7.468 1.00 71.32 C ATOM 754 O ALA A 49 8.401 -3.516 -7.071 1.00 52.24 O ATOM 755 CB ALA A 49 9.164 -0.438 -6.630 1.00 4.33 C ATOM 0 H ALA A 49 7.480 0.088 -8.605 1.00 20.45 H new ATOM 0 HA ALA A 49 9.793 -1.717 -8.218 1.00 35.43 H new ATOM 0 HB1 ALA A 49 9.604 -1.057 -5.848 1.00 4.33 H new ATOM 0 HB2 ALA A 49 9.865 0.349 -6.907 1.00 4.33 H new ATOM 0 HB3 ALA A 49 8.242 0.011 -6.261 1.00 4.33 H new ATOM 761 N GLN A 50 6.638 -2.202 -7.589 1.00 33.44 N ATOM 762 CA GLN A 50 5.616 -3.214 -7.337 1.00 5.22 C ATOM 763 C GLN A 50 5.607 -3.686 -5.875 1.00 24.22 C ATOM 764 O GLN A 50 5.010 -4.712 -5.550 1.00 43.13 O ATOM 765 CB GLN A 50 5.809 -4.419 -8.265 1.00 61.10 C ATOM 766 CG GLN A 50 5.639 -4.105 -9.744 1.00 25.52 C ATOM 767 CD GLN A 50 4.214 -3.734 -10.114 1.00 44.31 C ATOM 768 OE1 GLN A 50 3.257 -4.181 -9.485 1.00 63.24 O ATOM 769 NE2 GLN A 50 4.063 -2.923 -11.150 1.00 64.52 N ATOM 0 H GLN A 50 6.261 -1.296 -7.865 1.00 33.44 H new ATOM 0 HA GLN A 50 4.654 -2.744 -7.541 1.00 5.22 H new ATOM 0 HB2 GLN A 50 6.806 -4.830 -8.105 1.00 61.10 H new ATOM 0 HB3 GLN A 50 5.096 -5.195 -7.986 1.00 61.10 H new ATOM 0 HG2 GLN A 50 6.304 -3.284 -10.014 1.00 25.52 H new ATOM 0 HG3 GLN A 50 5.947 -4.970 -10.331 1.00 25.52 H new ATOM 0 HE21 GLN A 50 4.882 -2.573 -11.647 1.00 64.52 H new ATOM 0 HE22 GLN A 50 3.128 -2.649 -11.451 1.00 64.52 H new ATOM 778 N ALA A 51 6.236 -2.924 -4.989 1.00 41.11 N ATOM 779 CA ALA A 51 6.332 -3.316 -3.584 1.00 43.20 C ATOM 780 C ALA A 51 5.930 -2.174 -2.666 1.00 21.34 C ATOM 781 O ALA A 51 6.336 -2.130 -1.505 1.00 23.43 O ATOM 782 CB ALA A 51 7.743 -3.784 -3.265 1.00 54.35 C ATOM 0 H ALA A 51 6.685 -2.036 -5.214 1.00 41.11 H new ATOM 0 HA ALA A 51 5.640 -4.141 -3.414 1.00 43.20 H new ATOM 0 HB1 ALA A 51 7.802 -4.073 -2.216 1.00 54.35 H new ATOM 0 HB2 ALA A 51 7.993 -4.640 -3.892 1.00 54.35 H new ATOM 0 HB3 ALA A 51 8.447 -2.975 -3.458 1.00 54.35 H new ATOM 788 N SER A 52 5.129 -1.257 -3.197 1.00 42.24 N ATOM 789 CA SER A 52 4.583 -0.148 -2.421 1.00 31.35 C ATOM 790 C SER A 52 5.689 0.749 -1.878 1.00 74.11 C ATOM 791 O SER A 52 5.802 0.962 -0.673 1.00 60.11 O ATOM 792 CB SER A 52 3.713 -0.679 -1.281 1.00 22.03 C ATOM 793 OG SER A 52 2.763 -1.605 -1.772 1.00 61.42 O ATOM 0 H SER A 52 4.840 -1.261 -4.175 1.00 42.24 H new ATOM 0 HA SER A 52 3.965 0.456 -3.085 1.00 31.35 H new ATOM 0 HB2 SER A 52 4.341 -1.157 -0.529 1.00 22.03 H new ATOM 0 HB3 SER A 52 3.202 0.149 -0.790 1.00 22.03 H new ATOM 0 HG SER A 52 2.071 -1.754 -1.094 1.00 61.42 H new ATOM 799 N VAL A 53 6.495 1.289 -2.777 1.00 40.04 N ATOM 800 CA VAL A 53 7.561 2.203 -2.373 1.00 15.32 C ATOM 801 C VAL A 53 6.987 3.588 -2.120 1.00 23.52 C ATOM 802 O VAL A 53 7.637 4.452 -1.531 1.00 14.24 O ATOM 803 CB VAL A 53 8.696 2.290 -3.408 1.00 43.54 C ATOM 804 CG1 VAL A 53 9.442 0.971 -3.483 1.00 5.05 C ATOM 805 CG2 VAL A 53 8.159 2.686 -4.772 1.00 55.11 C ATOM 0 H VAL A 53 6.437 1.116 -3.781 1.00 40.04 H new ATOM 0 HA VAL A 53 7.994 1.803 -1.456 1.00 15.32 H new ATOM 0 HB VAL A 53 9.394 3.064 -3.088 1.00 43.54 H new ATOM 0 HG11 VAL A 53 10.242 1.047 -4.219 1.00 5.05 H new ATOM 0 HG12 VAL A 53 9.868 0.738 -2.507 1.00 5.05 H new ATOM 0 HG13 VAL A 53 8.753 0.179 -3.777 1.00 5.05 H new ATOM 0 HG21 VAL A 53 8.982 2.740 -5.485 1.00 55.11 H new ATOM 0 HG22 VAL A 53 7.436 1.943 -5.108 1.00 55.11 H new ATOM 0 HG23 VAL A 53 7.674 3.659 -4.703 1.00 55.11 H new ATOM 815 N LEU A 54 5.757 3.787 -2.577 1.00 1.31 N ATOM 816 CA LEU A 54 5.017 4.996 -2.268 1.00 43.32 C ATOM 817 C LEU A 54 4.540 4.922 -0.826 1.00 30.44 C ATOM 818 O LEU A 54 4.289 5.938 -0.188 1.00 24.31 O ATOM 819 CB LEU A 54 3.820 5.159 -3.211 1.00 71.00 C ATOM 820 CG LEU A 54 4.141 5.063 -4.708 1.00 45.33 C ATOM 821 CD1 LEU A 54 2.886 5.283 -5.537 1.00 11.21 C ATOM 822 CD2 LEU A 54 5.218 6.061 -5.103 1.00 12.50 C ATOM 0 H LEU A 54 5.253 3.123 -3.164 1.00 1.31 H new ATOM 0 HA LEU A 54 5.668 5.860 -2.402 1.00 43.32 H new ATOM 0 HB2 LEU A 54 3.080 4.397 -2.966 1.00 71.00 H new ATOM 0 HB3 LEU A 54 3.357 6.126 -3.018 1.00 71.00 H new ATOM 0 HG LEU A 54 4.520 4.060 -4.906 1.00 45.33 H new ATOM 0 HD11 LEU A 54 3.133 5.211 -6.596 1.00 11.21 H new ATOM 0 HD12 LEU A 54 2.146 4.524 -5.285 1.00 11.21 H new ATOM 0 HD13 LEU A 54 2.479 6.272 -5.325 1.00 11.21 H new ATOM 0 HD21 LEU A 54 5.425 5.970 -6.169 1.00 12.50 H new ATOM 0 HD22 LEU A 54 4.875 7.072 -4.885 1.00 12.50 H new ATOM 0 HD23 LEU A 54 6.128 5.857 -4.538 1.00 12.50 H new ATOM 834 N SER A 55 4.433 3.695 -0.327 1.00 71.34 N ATOM 835 CA SER A 55 4.032 3.444 1.045 1.00 5.11 C ATOM 836 C SER A 55 5.262 3.386 1.947 1.00 35.34 C ATOM 837 O SER A 55 5.248 3.873 3.077 1.00 53.01 O ATOM 838 CB SER A 55 3.274 2.121 1.110 1.00 24.33 C ATOM 839 OG SER A 55 2.509 1.928 -0.067 1.00 3.01 O ATOM 0 H SER A 55 4.623 2.850 -0.865 1.00 71.34 H new ATOM 0 HA SER A 55 3.386 4.252 1.389 1.00 5.11 H new ATOM 0 HB2 SER A 55 3.978 1.298 1.232 1.00 24.33 H new ATOM 0 HB3 SER A 55 2.619 2.113 1.982 1.00 24.33 H new ATOM 0 HG SER A 55 1.793 2.596 -0.105 1.00 3.01 H new ATOM 845 N ARG A 56 6.332 2.792 1.422 1.00 11.24 N ATOM 846 CA ARG A 56 7.604 2.688 2.134 1.00 31.41 C ATOM 847 C ARG A 56 8.401 3.988 2.030 1.00 62.03 C ATOM 848 O ARG A 56 9.631 3.981 2.068 1.00 12.32 O ATOM 849 CB ARG A 56 8.426 1.520 1.580 1.00 21.04 C ATOM 850 CG ARG A 56 7.925 0.153 2.026 1.00 14.11 C ATOM 851 CD ARG A 56 8.726 -0.972 1.390 1.00 34.32 C ATOM 852 NE ARG A 56 8.456 -2.264 2.023 1.00 25.33 N ATOM 853 CZ ARG A 56 8.582 -3.443 1.411 1.00 5.11 C ATOM 854 NH1 ARG A 56 8.938 -3.508 0.137 1.00 4.10 N ATOM 855 NH2 ARG A 56 8.367 -4.568 2.078 1.00 74.44 N ATOM 0 H ARG A 56 6.342 2.370 0.493 1.00 11.24 H new ATOM 0 HA ARG A 56 7.389 2.505 3.187 1.00 31.41 H new ATOM 0 HB2 ARG A 56 8.415 1.564 0.491 1.00 21.04 H new ATOM 0 HB3 ARG A 56 9.464 1.637 1.893 1.00 21.04 H new ATOM 0 HG2 ARG A 56 7.990 0.078 3.111 1.00 14.11 H new ATOM 0 HG3 ARG A 56 6.873 0.046 1.761 1.00 14.11 H new ATOM 0 HD2 ARG A 56 8.487 -1.032 0.328 1.00 34.32 H new ATOM 0 HD3 ARG A 56 9.790 -0.747 1.465 1.00 34.32 H new ATOM 0 HE ARG A 56 8.151 -2.263 2.996 1.00 25.33 H new ATOM 0 HH11 ARG A 56 9.119 -2.651 -0.386 1.00 4.10 H new ATOM 0 HH12 ARG A 56 9.031 -4.415 -0.321 1.00 4.10 H new ATOM 0 HH21 ARG A 56 8.104 -4.535 3.063 1.00 74.44 H new ATOM 0 HH22 ARG A 56 8.464 -5.467 1.606 1.00 74.44 H new ATOM 869 N GLY A 57 7.689 5.098 1.908 1.00 64.05 N ATOM 870 CA GLY A 57 8.330 6.392 1.861 1.00 53.21 C ATOM 871 C GLY A 57 8.289 7.077 3.209 1.00 71.23 C ATOM 872 O GLY A 57 8.329 6.416 4.249 1.00 73.24 O ATOM 0 H GLY A 57 6.672 5.123 1.840 1.00 64.05 H new ATOM 0 HA2 GLY A 57 9.366 6.275 1.542 1.00 53.21 H new ATOM 0 HA3 GLY A 57 7.836 7.018 1.118 1.00 53.21 H new ATOM 876 N ILE A 58 8.198 8.395 3.202 1.00 31.43 N ATOM 877 CA ILE A 58 8.130 9.157 4.439 1.00 31.45 C ATOM 878 C ILE A 58 6.692 9.536 4.749 1.00 71.12 C ATOM 879 O ILE A 58 6.132 10.453 4.149 1.00 2.25 O ATOM 880 CB ILE A 58 9.002 10.432 4.379 1.00 72.30 C ATOM 881 CG1 ILE A 58 10.458 10.073 4.066 1.00 35.43 C ATOM 882 CG2 ILE A 58 8.913 11.205 5.690 1.00 73.44 C ATOM 883 CD1 ILE A 58 11.107 9.174 5.096 1.00 34.12 C ATOM 0 H ILE A 58 8.169 8.961 2.354 1.00 31.43 H new ATOM 0 HA ILE A 58 8.519 8.519 5.233 1.00 31.45 H new ATOM 0 HB ILE A 58 8.624 11.068 3.579 1.00 72.30 H new ATOM 0 HG12 ILE A 58 10.499 9.582 3.094 1.00 35.43 H new ATOM 0 HG13 ILE A 58 11.038 10.992 3.984 1.00 35.43 H new ATOM 0 HG21 ILE A 58 9.534 12.099 5.628 1.00 73.44 H new ATOM 0 HG22 ILE A 58 7.878 11.494 5.873 1.00 73.44 H new ATOM 0 HG23 ILE A 58 9.264 10.576 6.508 1.00 73.44 H new ATOM 0 HD11 ILE A 58 12.136 8.967 4.801 1.00 34.12 H new ATOM 0 HD12 ILE A 58 11.100 9.669 6.067 1.00 34.12 H new ATOM 0 HD13 ILE A 58 10.553 8.238 5.162 1.00 34.12 H new ATOM 895 N VAL A 59 6.102 8.806 5.675 1.00 65.30 N ATOM 896 CA VAL A 59 4.745 9.069 6.108 1.00 61.23 C ATOM 897 C VAL A 59 4.758 10.160 7.168 1.00 74.31 C ATOM 898 O VAL A 59 4.975 9.890 8.350 1.00 35.05 O ATOM 899 CB VAL A 59 4.089 7.793 6.676 1.00 20.02 C ATOM 900 CG1 VAL A 59 2.668 8.071 7.146 1.00 21.23 C ATOM 901 CG2 VAL A 59 4.103 6.682 5.636 1.00 60.11 C ATOM 0 H VAL A 59 6.547 8.018 6.146 1.00 65.30 H new ATOM 0 HA VAL A 59 4.161 9.396 5.248 1.00 61.23 H new ATOM 0 HB VAL A 59 4.669 7.468 7.540 1.00 20.02 H new ATOM 0 HG11 VAL A 59 2.230 7.155 7.541 1.00 21.23 H new ATOM 0 HG12 VAL A 59 2.685 8.831 7.927 1.00 21.23 H new ATOM 0 HG13 VAL A 59 2.070 8.426 6.307 1.00 21.23 H new ATOM 0 HG21 VAL A 59 3.637 5.789 6.052 1.00 60.11 H new ATOM 0 HG22 VAL A 59 3.550 7.003 4.753 1.00 60.11 H new ATOM 0 HG23 VAL A 59 5.133 6.458 5.357 1.00 60.11 H new ATOM 911 N ALA A 60 4.561 11.393 6.736 1.00 14.23 N ATOM 912 CA ALA A 60 4.660 12.532 7.632 1.00 50.01 C ATOM 913 C ALA A 60 3.308 13.203 7.823 1.00 13.02 C ATOM 914 O ALA A 60 2.300 12.777 7.257 1.00 23.02 O ATOM 915 CB ALA A 60 5.673 13.531 7.099 1.00 31.25 C ATOM 0 H ALA A 60 4.332 11.631 5.771 1.00 14.23 H new ATOM 0 HA ALA A 60 4.995 12.169 8.604 1.00 50.01 H new ATOM 0 HB1 ALA A 60 5.739 14.380 7.779 1.00 31.25 H new ATOM 0 HB2 ALA A 60 6.649 13.053 7.021 1.00 31.25 H new ATOM 0 HB3 ALA A 60 5.359 13.878 6.115 1.00 31.25 H new ATOM 921 N GLU A 61 3.299 14.251 8.630 1.00 52.45 N ATOM 922 CA GLU A 61 2.101 15.004 8.901 1.00 11.14 C ATOM 923 C GLU A 61 2.236 16.427 8.387 1.00 55.31 C ATOM 924 O GLU A 61 3.345 16.940 8.225 1.00 22.33 O ATOM 925 CB GLU A 61 1.842 15.009 10.402 1.00 42.01 C ATOM 926 CG GLU A 61 1.307 13.688 10.921 1.00 62.41 C ATOM 927 CD GLU A 61 1.427 13.552 12.421 1.00 14.53 C ATOM 928 OE1 GLU A 61 0.579 14.111 13.151 1.00 63.41 O ATOM 929 OE2 GLU A 61 2.371 12.874 12.881 1.00 31.50 O ATOM 0 H GLU A 61 4.127 14.599 9.113 1.00 52.45 H new ATOM 0 HA GLU A 61 1.261 14.537 8.387 1.00 11.14 H new ATOM 0 HB2 GLU A 61 2.769 15.248 10.923 1.00 42.01 H new ATOM 0 HB3 GLU A 61 1.130 15.800 10.639 1.00 42.01 H new ATOM 0 HG2 GLU A 61 0.260 13.589 10.635 1.00 62.41 H new ATOM 0 HG3 GLU A 61 1.847 12.871 10.443 1.00 62.41 H new ATOM 936 N HIS A 62 1.105 17.046 8.116 1.00 50.10 N ATOM 937 CA HIS A 62 1.057 18.450 7.736 1.00 63.22 C ATOM 938 C HIS A 62 0.066 19.153 8.659 1.00 41.32 C ATOM 939 O HIS A 62 -0.686 20.038 8.246 1.00 51.31 O ATOM 940 CB HIS A 62 0.648 18.582 6.262 1.00 1.31 C ATOM 941 CG HIS A 62 0.859 19.949 5.681 1.00 2.33 C ATOM 942 ND1 HIS A 62 2.117 20.479 5.532 1.00 4.40 N ATOM 943 CD2 HIS A 62 -0.051 20.838 5.219 1.00 51.32 C ATOM 944 CE1 HIS A 62 1.945 21.670 4.986 1.00 62.12 C ATOM 945 NE2 HIS A 62 0.648 21.932 4.776 1.00 31.10 N ATOM 0 H HIS A 62 0.192 16.593 8.152 1.00 50.10 H new ATOM 0 HA HIS A 62 2.038 18.914 7.840 1.00 63.22 H new ATOM 0 HB2 HIS A 62 1.214 17.859 5.674 1.00 1.31 H new ATOM 0 HB3 HIS A 62 -0.405 18.317 6.164 1.00 1.31 H new ATOM 0 HD2 HIS A 62 -1.123 20.710 5.202 1.00 51.32 H new ATOM 0 HE1 HIS A 62 2.749 22.347 4.740 1.00 62.12 H new ATOM 0 HE2 HIS A 62 0.256 22.780 4.366 1.00 31.10 H new ATOM 953 N GLN A 63 0.116 18.741 9.930 1.00 10.13 N ATOM 954 CA GLN A 63 -0.847 19.145 10.951 1.00 65.33 C ATOM 955 C GLN A 63 -2.213 18.526 10.675 1.00 61.14 C ATOM 956 O GLN A 63 -2.934 18.956 9.773 1.00 75.43 O ATOM 957 CB GLN A 63 -0.946 20.670 11.078 1.00 52.40 C ATOM 958 CG GLN A 63 0.307 21.305 11.655 1.00 43.20 C ATOM 959 CD GLN A 63 0.170 22.801 11.840 1.00 2.40 C ATOM 960 OE1 GLN A 63 -0.925 23.317 12.055 1.00 72.15 O ATOM 961 NE2 GLN A 63 1.283 23.505 11.771 1.00 13.21 N ATOM 0 H GLN A 63 0.837 18.110 10.280 1.00 10.13 H new ATOM 0 HA GLN A 63 -0.485 18.770 11.909 1.00 65.33 H new ATOM 0 HB2 GLN A 63 -1.143 21.098 10.095 1.00 52.40 H new ATOM 0 HB3 GLN A 63 -1.797 20.921 11.711 1.00 52.40 H new ATOM 0 HG2 GLN A 63 0.534 20.843 12.616 1.00 43.20 H new ATOM 0 HG3 GLN A 63 1.150 21.100 10.995 1.00 43.20 H new ATOM 0 HE21 GLN A 63 2.172 23.038 11.591 1.00 13.21 H new ATOM 0 HE22 GLN A 63 1.255 24.517 11.898 1.00 13.21 H new ATOM 970 N ASP A 64 -2.523 17.483 11.448 1.00 10.30 N ATOM 971 CA ASP A 64 -3.789 16.744 11.358 1.00 41.21 C ATOM 972 C ASP A 64 -3.814 15.819 10.141 1.00 1.30 C ATOM 973 O ASP A 64 -4.069 14.620 10.271 1.00 10.04 O ATOM 974 CB ASP A 64 -4.993 17.690 11.334 1.00 22.23 C ATOM 975 CG ASP A 64 -6.306 16.952 11.177 1.00 62.10 C ATOM 976 OD1 ASP A 64 -6.776 16.345 12.163 1.00 54.51 O ATOM 977 OD2 ASP A 64 -6.880 16.985 10.073 1.00 51.14 O ATOM 0 H ASP A 64 -1.894 17.121 12.165 1.00 10.30 H new ATOM 0 HA ASP A 64 -3.860 16.128 12.254 1.00 41.21 H new ATOM 0 HB2 ASP A 64 -5.014 18.270 12.257 1.00 22.23 H new ATOM 0 HB3 ASP A 64 -4.878 18.399 10.514 1.00 22.23 H new ATOM 982 N ASP A 65 -3.538 16.373 8.968 1.00 12.14 N ATOM 983 CA ASP A 65 -3.530 15.595 7.737 1.00 61.25 C ATOM 984 C ASP A 65 -2.269 14.748 7.636 1.00 44.25 C ATOM 985 O ASP A 65 -1.183 15.167 8.045 1.00 72.10 O ATOM 986 CB ASP A 65 -3.639 16.499 6.507 1.00 55.23 C ATOM 987 CG ASP A 65 -5.023 17.081 6.315 1.00 3.12 C ATOM 988 OD1 ASP A 65 -5.953 16.316 5.988 1.00 24.12 O ATOM 989 OD2 ASP A 65 -5.180 18.309 6.473 1.00 65.12 O ATOM 0 H ASP A 65 -3.316 17.361 8.843 1.00 12.14 H new ATOM 0 HA ASP A 65 -4.399 14.938 7.766 1.00 61.25 H new ATOM 0 HB2 ASP A 65 -2.919 17.313 6.597 1.00 55.23 H new ATOM 0 HB3 ASP A 65 -3.366 15.928 5.619 1.00 55.23 H new ATOM 994 N LEU A 66 -2.428 13.557 7.080 1.00 2.30 N ATOM 995 CA LEU A 66 -1.323 12.628 6.902 1.00 53.33 C ATOM 996 C LEU A 66 -0.880 12.628 5.446 1.00 63.15 C ATOM 997 O LEU A 66 -1.671 12.322 4.550 1.00 61.02 O ATOM 998 CB LEU A 66 -1.741 11.212 7.316 1.00 5.11 C ATOM 999 CG LEU A 66 -2.149 11.045 8.782 1.00 65.12 C ATOM 1000 CD1 LEU A 66 -2.669 9.638 9.034 1.00 1.52 C ATOM 1001 CD2 LEU A 66 -0.974 11.346 9.697 1.00 11.31 C ATOM 0 H LEU A 66 -3.324 13.208 6.740 1.00 2.30 H new ATOM 0 HA LEU A 66 -0.494 12.947 7.533 1.00 53.33 H new ATOM 0 HB2 LEU A 66 -2.575 10.900 6.688 1.00 5.11 H new ATOM 0 HB3 LEU A 66 -0.914 10.533 7.108 1.00 5.11 H new ATOM 0 HG LEU A 66 -2.949 11.753 8.999 1.00 65.12 H new ATOM 0 HD11 LEU A 66 -2.954 9.538 10.081 1.00 1.52 H new ATOM 0 HD12 LEU A 66 -3.537 9.452 8.402 1.00 1.52 H new ATOM 0 HD13 LEU A 66 -1.888 8.914 8.800 1.00 1.52 H new ATOM 0 HD21 LEU A 66 -1.281 11.223 10.736 1.00 11.31 H new ATOM 0 HD22 LEU A 66 -0.156 10.660 9.476 1.00 11.31 H new ATOM 0 HD23 LEU A 66 -0.641 12.371 9.536 1.00 11.31 H new ATOM 1013 N TRP A 67 0.375 12.975 5.218 1.00 63.43 N ATOM 1014 CA TRP A 67 0.907 13.070 3.870 1.00 65.12 C ATOM 1015 C TRP A 67 2.140 12.192 3.723 1.00 41.43 C ATOM 1016 O TRP A 67 3.155 12.413 4.387 1.00 33.24 O ATOM 1017 CB TRP A 67 1.275 14.517 3.528 1.00 1.32 C ATOM 1018 CG TRP A 67 0.111 15.460 3.511 1.00 61.14 C ATOM 1019 CD1 TRP A 67 -0.564 15.950 4.590 1.00 13.21 C ATOM 1020 CD2 TRP A 67 -0.510 16.034 2.356 1.00 61.44 C ATOM 1021 NE1 TRP A 67 -1.555 16.804 4.179 1.00 1.32 N ATOM 1022 CE2 TRP A 67 -1.545 16.871 2.812 1.00 10.53 C ATOM 1023 CE3 TRP A 67 -0.289 15.929 0.979 1.00 41.01 C ATOM 1024 CZ2 TRP A 67 -2.359 17.592 1.940 1.00 52.24 C ATOM 1025 CZ3 TRP A 67 -1.098 16.642 0.116 1.00 41.53 C ATOM 1026 CH2 TRP A 67 -2.119 17.469 0.600 1.00 31.15 C ATOM 0 H TRP A 67 1.047 13.196 5.953 1.00 63.43 H new ATOM 0 HA TRP A 67 0.133 12.729 3.182 1.00 65.12 H new ATOM 0 HB2 TRP A 67 2.007 14.875 4.252 1.00 1.32 H new ATOM 0 HB3 TRP A 67 1.758 14.536 2.551 1.00 1.32 H new ATOM 0 HD1 TRP A 67 -0.349 15.701 5.619 1.00 13.21 H new ATOM 0 HE1 TRP A 67 -2.196 17.308 4.792 1.00 1.32 H new ATOM 0 HE3 TRP A 67 0.502 15.300 0.597 1.00 41.01 H new ATOM 0 HZ2 TRP A 67 -3.151 18.226 2.310 1.00 52.24 H new ATOM 0 HZ3 TRP A 67 -0.941 16.560 -0.949 1.00 41.53 H new ATOM 0 HH2 TRP A 67 -2.729 18.021 -0.100 1.00 31.15 H new ATOM 1037 N VAL A 68 2.059 11.201 2.857 1.00 61.30 N ATOM 1038 CA VAL A 68 3.194 10.335 2.610 1.00 22.20 C ATOM 1039 C VAL A 68 4.009 10.855 1.424 1.00 62.31 C ATOM 1040 O VAL A 68 3.458 11.192 0.373 1.00 13.10 O ATOM 1041 CB VAL A 68 2.764 8.867 2.373 1.00 22.14 C ATOM 1042 CG1 VAL A 68 1.830 8.742 1.181 1.00 32.14 C ATOM 1043 CG2 VAL A 68 3.981 7.977 2.194 1.00 63.12 C ATOM 0 H VAL A 68 1.224 10.977 2.316 1.00 61.30 H new ATOM 0 HA VAL A 68 3.818 10.348 3.504 1.00 22.20 H new ATOM 0 HB VAL A 68 2.216 8.537 3.256 1.00 22.14 H new ATOM 0 HG11 VAL A 68 1.550 7.697 1.046 1.00 32.14 H new ATOM 0 HG12 VAL A 68 0.934 9.338 1.356 1.00 32.14 H new ATOM 0 HG13 VAL A 68 2.335 9.101 0.284 1.00 32.14 H new ATOM 0 HG21 VAL A 68 3.659 6.949 2.029 1.00 63.12 H new ATOM 0 HG22 VAL A 68 4.559 8.319 1.335 1.00 63.12 H new ATOM 0 HG23 VAL A 68 4.601 8.023 3.090 1.00 63.12 H new ATOM 1053 N ALA A 69 5.313 10.964 1.622 1.00 41.33 N ATOM 1054 CA ALA A 69 6.216 11.409 0.576 1.00 63.11 C ATOM 1055 C ALA A 69 7.024 10.234 0.048 1.00 51.40 C ATOM 1056 O ALA A 69 7.795 9.617 0.783 1.00 34.21 O ATOM 1057 CB ALA A 69 7.136 12.505 1.097 1.00 21.22 C ATOM 0 H ALA A 69 5.772 10.748 2.507 1.00 41.33 H new ATOM 0 HA ALA A 69 5.628 11.821 -0.244 1.00 63.11 H new ATOM 0 HB1 ALA A 69 7.806 12.827 0.300 1.00 21.22 H new ATOM 0 HB2 ALA A 69 6.538 13.352 1.433 1.00 21.22 H new ATOM 0 HB3 ALA A 69 7.723 12.121 1.932 1.00 21.22 H new ATOM 1063 N SER A 70 6.832 9.919 -1.219 1.00 22.22 N ATOM 1064 CA SER A 70 7.518 8.801 -1.841 1.00 40.20 C ATOM 1065 C SER A 70 8.933 9.193 -2.259 1.00 33.15 C ATOM 1066 O SER A 70 9.150 10.285 -2.777 1.00 4.15 O ATOM 1067 CB SER A 70 6.715 8.329 -3.051 1.00 63.22 C ATOM 1068 OG SER A 70 6.322 9.426 -3.860 1.00 74.23 O ATOM 0 H SER A 70 6.202 10.425 -1.842 1.00 22.22 H new ATOM 0 HA SER A 70 7.599 7.988 -1.119 1.00 40.20 H new ATOM 0 HB2 SER A 70 7.313 7.634 -3.640 1.00 63.22 H new ATOM 0 HB3 SER A 70 5.832 7.785 -2.716 1.00 63.22 H new ATOM 0 HG SER A 70 6.914 10.188 -3.689 1.00 74.23 H new ATOM 1074 N PRO A 71 9.916 8.311 -2.035 1.00 65.25 N ATOM 1075 CA PRO A 71 11.315 8.590 -2.375 1.00 20.12 C ATOM 1076 C PRO A 71 11.563 8.644 -3.883 1.00 4.13 C ATOM 1077 O PRO A 71 12.442 9.366 -4.351 1.00 54.42 O ATOM 1078 CB PRO A 71 12.077 7.421 -1.746 1.00 20.55 C ATOM 1079 CG PRO A 71 11.075 6.321 -1.632 1.00 1.52 C ATOM 1080 CD PRO A 71 9.747 6.987 -1.410 1.00 33.44 C ATOM 0 HA PRO A 71 11.628 9.568 -2.009 1.00 20.12 H new ATOM 0 HB2 PRO A 71 12.922 7.122 -2.366 1.00 20.55 H new ATOM 0 HB3 PRO A 71 12.478 7.692 -0.769 1.00 20.55 H new ATOM 0 HG2 PRO A 71 11.059 5.713 -2.537 1.00 1.52 H new ATOM 0 HG3 PRO A 71 11.320 5.655 -0.805 1.00 1.52 H new ATOM 0 HD2 PRO A 71 8.935 6.426 -1.872 1.00 33.44 H new ATOM 0 HD3 PRO A 71 9.513 7.071 -0.349 1.00 33.44 H new ATOM 1088 N LEU A 72 10.778 7.888 -4.641 1.00 60.05 N ATOM 1089 CA LEU A 72 10.960 7.813 -6.087 1.00 22.22 C ATOM 1090 C LEU A 72 10.201 8.926 -6.802 1.00 41.14 C ATOM 1091 O LEU A 72 10.769 9.660 -7.608 1.00 3.41 O ATOM 1092 CB LEU A 72 10.504 6.449 -6.620 1.00 74.12 C ATOM 1093 CG LEU A 72 11.284 5.242 -6.092 1.00 33.33 C ATOM 1094 CD1 LEU A 72 10.794 3.965 -6.759 1.00 71.34 C ATOM 1095 CD2 LEU A 72 12.777 5.431 -6.319 1.00 74.12 C ATOM 0 H LEU A 72 10.011 7.320 -4.281 1.00 60.05 H new ATOM 0 HA LEU A 72 12.024 7.938 -6.289 1.00 22.22 H new ATOM 0 HB2 LEU A 72 9.451 6.315 -6.373 1.00 74.12 H new ATOM 0 HB3 LEU A 72 10.578 6.460 -7.707 1.00 74.12 H new ATOM 0 HG LEU A 72 11.112 5.158 -5.019 1.00 33.33 H new ATOM 0 HD11 LEU A 72 11.357 3.115 -6.374 1.00 71.34 H new ATOM 0 HD12 LEU A 72 9.734 3.826 -6.544 1.00 71.34 H new ATOM 0 HD13 LEU A 72 10.939 4.039 -7.837 1.00 71.34 H new ATOM 0 HD21 LEU A 72 13.316 4.564 -5.938 1.00 74.12 H new ATOM 0 HD22 LEU A 72 12.972 5.539 -7.386 1.00 74.12 H new ATOM 0 HD23 LEU A 72 13.114 6.326 -5.796 1.00 74.12 H new ATOM 1107 N LYS A 73 8.915 9.049 -6.504 1.00 5.02 N ATOM 1108 CA LYS A 73 8.069 10.029 -7.178 1.00 33.13 C ATOM 1109 C LYS A 73 8.223 11.404 -6.545 1.00 52.52 C ATOM 1110 O LYS A 73 8.127 12.424 -7.229 1.00 41.50 O ATOM 1111 CB LYS A 73 6.606 9.583 -7.141 1.00 12.44 C ATOM 1112 CG LYS A 73 6.384 8.212 -7.758 1.00 44.45 C ATOM 1113 CD LYS A 73 6.882 8.168 -9.193 1.00 74.12 C ATOM 1114 CE LYS A 73 6.791 6.767 -9.780 1.00 60.43 C ATOM 1115 NZ LYS A 73 7.241 6.741 -11.196 1.00 73.45 N ATOM 0 H LYS A 73 8.434 8.485 -5.803 1.00 5.02 H new ATOM 0 HA LYS A 73 8.387 10.097 -8.218 1.00 33.13 H new ATOM 0 HB2 LYS A 73 6.263 9.569 -6.106 1.00 12.44 H new ATOM 0 HB3 LYS A 73 5.996 10.316 -7.669 1.00 12.44 H new ATOM 0 HG2 LYS A 73 6.902 7.456 -7.167 1.00 44.45 H new ATOM 0 HG3 LYS A 73 5.323 7.966 -7.731 1.00 44.45 H new ATOM 0 HD2 LYS A 73 6.296 8.856 -9.802 1.00 74.12 H new ATOM 0 HD3 LYS A 73 7.916 8.511 -9.230 1.00 74.12 H new ATOM 0 HE2 LYS A 73 7.402 6.084 -9.190 1.00 60.43 H new ATOM 0 HE3 LYS A 73 5.763 6.411 -9.717 1.00 60.43 H new ATOM 0 HZ1 LYS A 73 6.435 6.511 -11.812 1.00 73.45 H new ATOM 0 HZ2 LYS A 73 7.621 7.673 -11.457 1.00 73.45 H new ATOM 0 HZ3 LYS A 73 7.982 6.021 -11.312 1.00 73.45 H new ATOM 1129 N LYS A 74 8.468 11.414 -5.236 1.00 72.31 N ATOM 1130 CA LYS A 74 8.684 12.646 -4.477 1.00 24.22 C ATOM 1131 C LYS A 74 7.452 13.538 -4.513 1.00 52.12 C ATOM 1132 O LYS A 74 7.554 14.765 -4.570 1.00 0.34 O ATOM 1133 CB LYS A 74 9.924 13.386 -4.988 1.00 3.11 C ATOM 1134 CG LYS A 74 11.200 12.569 -4.841 1.00 42.42 C ATOM 1135 CD LYS A 74 12.443 13.392 -5.139 1.00 61.41 C ATOM 1136 CE LYS A 74 12.539 14.606 -4.230 1.00 71.22 C ATOM 1137 NZ LYS A 74 13.899 15.201 -4.238 1.00 62.10 N ATOM 0 H LYS A 74 8.523 10.567 -4.670 1.00 72.31 H new ATOM 0 HA LYS A 74 8.860 12.376 -3.436 1.00 24.22 H new ATOM 0 HB2 LYS A 74 9.781 13.643 -6.038 1.00 3.11 H new ATOM 0 HB3 LYS A 74 10.033 14.323 -4.442 1.00 3.11 H new ATOM 0 HG2 LYS A 74 11.262 12.173 -3.827 1.00 42.42 H new ATOM 0 HG3 LYS A 74 11.162 11.713 -5.515 1.00 42.42 H new ATOM 0 HD2 LYS A 74 13.330 12.771 -5.014 1.00 61.41 H new ATOM 0 HD3 LYS A 74 12.425 13.716 -6.180 1.00 61.41 H new ATOM 0 HE2 LYS A 74 11.814 15.355 -4.548 1.00 71.22 H new ATOM 0 HE3 LYS A 74 12.275 14.319 -3.212 1.00 71.22 H new ATOM 0 HZ1 LYS A 74 13.921 16.026 -3.605 1.00 62.10 H new ATOM 0 HZ2 LYS A 74 14.589 14.495 -3.910 1.00 62.10 H new ATOM 0 HZ3 LYS A 74 14.142 15.499 -5.204 1.00 62.10 H new ATOM 1151 N GLN A 75 6.290 12.908 -4.458 1.00 2.22 N ATOM 1152 CA GLN A 75 5.028 13.625 -4.395 1.00 4.11 C ATOM 1153 C GLN A 75 4.338 13.337 -3.068 1.00 31.30 C ATOM 1154 O GLN A 75 4.480 12.246 -2.509 1.00 71.11 O ATOM 1155 CB GLN A 75 4.128 13.236 -5.572 1.00 2.04 C ATOM 1156 CG GLN A 75 4.607 13.790 -6.905 1.00 41.22 C ATOM 1157 CD GLN A 75 3.808 13.285 -8.090 1.00 4.42 C ATOM 1158 OE1 GLN A 75 2.626 12.958 -7.978 1.00 25.03 O ATOM 1159 NE2 GLN A 75 4.450 13.239 -9.243 1.00 12.34 N ATOM 0 H GLN A 75 6.195 11.892 -4.456 1.00 2.22 H new ATOM 0 HA GLN A 75 5.224 14.695 -4.463 1.00 4.11 H new ATOM 0 HB2 GLN A 75 4.075 12.149 -5.636 1.00 2.04 H new ATOM 0 HB3 GLN A 75 3.116 13.594 -5.380 1.00 2.04 H new ATOM 0 HG2 GLN A 75 4.554 14.878 -6.878 1.00 41.22 H new ATOM 0 HG3 GLN A 75 5.655 13.526 -7.044 1.00 41.22 H new ATOM 0 HE21 GLN A 75 5.430 13.519 -9.293 1.00 12.34 H new ATOM 0 HE22 GLN A 75 3.966 12.924 -10.084 1.00 12.34 H new ATOM 1168 N HIS A 76 3.621 14.325 -2.561 1.00 14.25 N ATOM 1169 CA HIS A 76 2.929 14.200 -1.287 1.00 71.10 C ATOM 1170 C HIS A 76 1.511 13.697 -1.496 1.00 52.21 C ATOM 1171 O HIS A 76 0.697 14.369 -2.127 1.00 42.11 O ATOM 1172 CB HIS A 76 2.886 15.548 -0.562 1.00 3.14 C ATOM 1173 CG HIS A 76 4.195 15.989 0.013 1.00 61.42 C ATOM 1174 ND1 HIS A 76 5.070 16.827 -0.646 1.00 11.34 N ATOM 1175 CD2 HIS A 76 4.760 15.733 1.216 1.00 64.11 C ATOM 1176 CE1 HIS A 76 6.114 17.065 0.128 1.00 12.41 C ATOM 1177 NE2 HIS A 76 5.950 16.414 1.267 1.00 51.11 N ATOM 0 H HIS A 76 3.502 15.230 -3.016 1.00 14.25 H new ATOM 0 HA HIS A 76 3.478 13.482 -0.677 1.00 71.10 H new ATOM 0 HB2 HIS A 76 2.536 16.309 -1.259 1.00 3.14 H new ATOM 0 HB3 HIS A 76 2.152 15.490 0.242 1.00 3.14 H new ATOM 0 HD1 HIS A 76 4.933 17.204 -1.584 1.00 11.34 H new ATOM 0 HD2 HIS A 76 4.349 15.107 1.994 1.00 64.11 H new ATOM 0 HE1 HIS A 76 6.959 17.687 -0.127 1.00 12.41 H new ATOM 1186 N PHE A 77 1.225 12.518 -0.969 1.00 70.02 N ATOM 1187 CA PHE A 77 -0.107 11.942 -1.070 1.00 42.41 C ATOM 1188 C PHE A 77 -0.821 12.037 0.275 1.00 43.45 C ATOM 1189 O PHE A 77 -0.329 11.519 1.278 1.00 44.13 O ATOM 1190 CB PHE A 77 -0.029 10.472 -1.501 1.00 61.31 C ATOM 1191 CG PHE A 77 0.821 10.228 -2.718 1.00 72.44 C ATOM 1192 CD1 PHE A 77 0.342 10.510 -3.988 1.00 0.32 C ATOM 1193 CD2 PHE A 77 2.102 9.714 -2.589 1.00 65.42 C ATOM 1194 CE1 PHE A 77 1.125 10.285 -5.105 1.00 40.45 C ATOM 1195 CE2 PHE A 77 2.889 9.487 -3.702 1.00 64.00 C ATOM 1196 CZ PHE A 77 2.400 9.774 -4.962 1.00 64.00 C ATOM 0 H PHE A 77 1.898 11.940 -0.466 1.00 70.02 H new ATOM 0 HA PHE A 77 -0.665 12.502 -1.820 1.00 42.41 H new ATOM 0 HB2 PHE A 77 0.365 9.883 -0.673 1.00 61.31 H new ATOM 0 HB3 PHE A 77 -1.038 10.109 -1.698 1.00 61.31 H new ATOM 0 HD1 PHE A 77 -0.654 10.910 -4.106 1.00 0.32 H new ATOM 0 HD2 PHE A 77 2.490 9.488 -1.607 1.00 65.42 H new ATOM 0 HE1 PHE A 77 0.740 10.509 -6.089 1.00 40.45 H new ATOM 0 HE2 PHE A 77 3.885 9.086 -3.587 1.00 64.00 H new ATOM 0 HZ PHE A 77 3.014 9.599 -5.833 1.00 64.00 H new ATOM 1206 N ARG A 78 -1.968 12.705 0.302 1.00 4.45 N ATOM 1207 CA ARG A 78 -2.751 12.798 1.529 1.00 2.03 C ATOM 1208 C ARG A 78 -3.637 11.569 1.673 1.00 61.34 C ATOM 1209 O ARG A 78 -4.348 11.195 0.736 1.00 3.44 O ATOM 1210 CB ARG A 78 -3.611 14.067 1.560 1.00 40.43 C ATOM 1211 CG ARG A 78 -4.289 14.293 2.905 1.00 70.44 C ATOM 1212 CD ARG A 78 -5.043 15.614 2.956 1.00 11.44 C ATOM 1213 NE ARG A 78 -6.260 15.605 2.143 1.00 51.23 N ATOM 1214 CZ ARG A 78 -7.480 15.820 2.643 1.00 4.12 C ATOM 1215 NH1 ARG A 78 -7.645 16.041 3.942 1.00 3.22 N ATOM 1216 NH2 ARG A 78 -8.539 15.829 1.842 1.00 62.31 N ATOM 0 H ARG A 78 -2.373 13.185 -0.501 1.00 4.45 H new ATOM 0 HA ARG A 78 -2.053 12.848 2.365 1.00 2.03 H new ATOM 0 HB2 ARG A 78 -2.986 14.929 1.325 1.00 40.43 H new ATOM 0 HB3 ARG A 78 -4.372 14.003 0.782 1.00 40.43 H new ATOM 0 HG2 ARG A 78 -4.981 13.474 3.103 1.00 70.44 H new ATOM 0 HG3 ARG A 78 -3.539 14.274 3.695 1.00 70.44 H new ATOM 0 HD2 ARG A 78 -5.304 15.838 3.990 1.00 11.44 H new ATOM 0 HD3 ARG A 78 -4.388 16.414 2.612 1.00 11.44 H new ATOM 0 HE ARG A 78 -6.172 15.425 1.143 1.00 51.23 H new ATOM 0 HH11 ARG A 78 -6.837 16.047 4.565 1.00 3.22 H new ATOM 0 HH12 ARG A 78 -8.579 16.204 4.317 1.00 3.22 H new ATOM 0 HH21 ARG A 78 -8.423 15.671 0.841 1.00 62.31 H new ATOM 0 HH22 ARG A 78 -9.469 15.994 2.228 1.00 62.31 H new ATOM 1230 N LEU A 79 -3.589 10.945 2.844 1.00 14.43 N ATOM 1231 CA LEU A 79 -4.358 9.731 3.097 1.00 10.05 C ATOM 1232 C LEU A 79 -5.854 10.036 3.178 1.00 63.42 C ATOM 1233 O LEU A 79 -6.371 10.437 4.225 1.00 23.21 O ATOM 1234 CB LEU A 79 -3.877 9.045 4.380 1.00 52.04 C ATOM 1235 CG LEU A 79 -2.396 8.647 4.386 1.00 33.34 C ATOM 1236 CD1 LEU A 79 -2.036 7.950 5.687 1.00 31.33 C ATOM 1237 CD2 LEU A 79 -2.073 7.754 3.197 1.00 32.32 C ATOM 0 H LEU A 79 -3.026 11.259 3.634 1.00 14.43 H new ATOM 0 HA LEU A 79 -4.198 9.050 2.261 1.00 10.05 H new ATOM 0 HB2 LEU A 79 -4.062 9.712 5.222 1.00 52.04 H new ATOM 0 HB3 LEU A 79 -4.479 8.151 4.544 1.00 52.04 H new ATOM 0 HG LEU A 79 -1.799 9.555 4.304 1.00 33.34 H new ATOM 0 HD11 LEU A 79 -0.981 7.675 5.673 1.00 31.33 H new ATOM 0 HD12 LEU A 79 -2.225 8.622 6.524 1.00 31.33 H new ATOM 0 HD13 LEU A 79 -2.644 7.052 5.799 1.00 31.33 H new ATOM 0 HD21 LEU A 79 -1.017 7.484 3.221 1.00 32.32 H new ATOM 0 HD22 LEU A 79 -2.680 6.850 3.245 1.00 32.32 H new ATOM 0 HD23 LEU A 79 -2.290 8.288 2.272 1.00 32.32 H new ATOM 1249 N TYR A 80 -6.526 9.859 2.051 1.00 72.30 N ATOM 1250 CA TYR A 80 -7.958 10.106 1.933 1.00 52.32 C ATOM 1251 C TYR A 80 -8.472 9.380 0.697 1.00 43.20 C ATOM 1252 O TYR A 80 -9.346 8.519 0.775 1.00 73.23 O ATOM 1253 CB TYR A 80 -8.225 11.615 1.826 1.00 42.52 C ATOM 1254 CG TYR A 80 -9.690 11.988 1.737 1.00 1.00 C ATOM 1255 CD1 TYR A 80 -10.530 11.863 2.836 1.00 24.13 C ATOM 1256 CD2 TYR A 80 -10.233 12.471 0.552 1.00 22.15 C ATOM 1257 CE1 TYR A 80 -11.866 12.209 2.758 1.00 21.11 C ATOM 1258 CE2 TYR A 80 -11.568 12.824 0.467 1.00 12.11 C ATOM 1259 CZ TYR A 80 -12.381 12.688 1.572 1.00 24.40 C ATOM 1260 OH TYR A 80 -13.712 13.042 1.493 1.00 15.24 O ATOM 0 H TYR A 80 -6.092 9.538 1.186 1.00 72.30 H new ATOM 0 HA TYR A 80 -8.478 9.735 2.816 1.00 52.32 H new ATOM 0 HB2 TYR A 80 -7.789 12.111 2.693 1.00 42.52 H new ATOM 0 HB3 TYR A 80 -7.711 12.001 0.946 1.00 42.52 H new ATOM 0 HD1 TYR A 80 -10.132 11.489 3.768 1.00 24.13 H new ATOM 0 HD2 TYR A 80 -9.601 12.573 -0.318 1.00 22.15 H new ATOM 0 HE1 TYR A 80 -12.504 12.105 3.623 1.00 21.11 H new ATOM 0 HE2 TYR A 80 -11.971 13.204 -0.460 1.00 12.11 H new ATOM 0 HH TYR A 80 -13.913 13.361 0.588 1.00 15.24 H new ATOM 1270 N ASP A 81 -7.897 9.741 -0.439 1.00 0.44 N ATOM 1271 CA ASP A 81 -8.116 9.026 -1.692 1.00 43.35 C ATOM 1272 C ASP A 81 -6.793 8.896 -2.424 1.00 34.11 C ATOM 1273 O ASP A 81 -6.099 7.892 -2.305 1.00 31.24 O ATOM 1274 CB ASP A 81 -9.137 9.736 -2.592 1.00 44.42 C ATOM 1275 CG ASP A 81 -10.573 9.407 -2.240 1.00 22.33 C ATOM 1276 OD1 ASP A 81 -10.972 8.233 -2.390 1.00 43.41 O ATOM 1277 OD2 ASP A 81 -11.313 10.324 -1.834 1.00 31.01 O ATOM 0 H ASP A 81 -7.265 10.537 -0.521 1.00 0.44 H new ATOM 0 HA ASP A 81 -8.521 8.042 -1.454 1.00 43.35 H new ATOM 0 HB2 ASP A 81 -8.989 10.813 -2.518 1.00 44.42 H new ATOM 0 HB3 ASP A 81 -8.951 9.459 -3.630 1.00 44.42 H new ATOM 1282 N GLY A 82 -6.437 9.942 -3.151 1.00 12.22 N ATOM 1283 CA GLY A 82 -5.163 9.978 -3.835 1.00 34.42 C ATOM 1284 C GLY A 82 -4.751 11.392 -4.165 1.00 55.13 C ATOM 1285 O GLY A 82 -4.093 11.638 -5.175 1.00 43.31 O ATOM 0 H GLY A 82 -7.013 10.774 -3.280 1.00 12.22 H new ATOM 0 HA2 GLY A 82 -4.401 9.512 -3.211 1.00 34.42 H new ATOM 0 HA3 GLY A 82 -5.225 9.393 -4.752 1.00 34.42 H new ATOM 1289 N PHE A 83 -5.139 12.323 -3.304 1.00 1.43 N ATOM 1290 CA PHE A 83 -4.873 13.737 -3.529 1.00 51.41 C ATOM 1291 C PHE A 83 -3.395 14.041 -3.352 1.00 4.21 C ATOM 1292 O PHE A 83 -2.827 13.809 -2.282 1.00 64.41 O ATOM 1293 CB PHE A 83 -5.711 14.599 -2.580 1.00 62.13 C ATOM 1294 CG PHE A 83 -7.187 14.536 -2.860 1.00 2.10 C ATOM 1295 CD1 PHE A 83 -7.959 13.499 -2.362 1.00 14.14 C ATOM 1296 CD2 PHE A 83 -7.800 15.515 -3.624 1.00 51.43 C ATOM 1297 CE1 PHE A 83 -9.315 13.440 -2.622 1.00 23.44 C ATOM 1298 CE2 PHE A 83 -9.155 15.462 -3.886 1.00 32.02 C ATOM 1299 CZ PHE A 83 -9.914 14.423 -3.385 1.00 4.24 C ATOM 0 H PHE A 83 -5.641 12.123 -2.439 1.00 1.43 H new ATOM 0 HA PHE A 83 -5.153 13.977 -4.555 1.00 51.41 H new ATOM 0 HB2 PHE A 83 -5.530 14.278 -1.554 1.00 62.13 H new ATOM 0 HB3 PHE A 83 -5.379 15.635 -2.653 1.00 62.13 H new ATOM 0 HD1 PHE A 83 -7.496 12.728 -1.764 1.00 14.14 H new ATOM 0 HD2 PHE A 83 -7.211 16.330 -4.020 1.00 51.43 H new ATOM 0 HE1 PHE A 83 -9.906 12.626 -2.229 1.00 23.44 H new ATOM 0 HE2 PHE A 83 -9.621 16.233 -4.482 1.00 32.02 H new ATOM 0 HZ PHE A 83 -10.974 14.379 -3.589 1.00 4.24 H new ATOM 1309 N CYS A 84 -2.781 14.545 -4.411 1.00 31.21 N ATOM 1310 CA CYS A 84 -1.368 14.874 -4.392 1.00 31.41 C ATOM 1311 C CYS A 84 -1.182 16.376 -4.201 1.00 73.33 C ATOM 1312 O CYS A 84 -1.949 17.178 -4.740 1.00 51.11 O ATOM 1313 CB CYS A 84 -0.714 14.411 -5.691 1.00 44.41 C ATOM 1314 SG CYS A 84 -1.210 12.751 -6.214 1.00 0.14 S ATOM 0 H CYS A 84 -3.245 14.735 -5.299 1.00 31.21 H new ATOM 0 HA CYS A 84 -0.890 14.361 -3.558 1.00 31.41 H new ATOM 0 HB2 CYS A 84 -0.961 15.119 -6.482 1.00 44.41 H new ATOM 0 HB3 CYS A 84 0.369 14.434 -5.569 1.00 44.41 H new ATOM 0 HG CYS A 84 -0.448 11.869 -5.638 1.00 0.14 H new ATOM 1320 N LEU A 85 -0.173 16.749 -3.428 1.00 3.34 N ATOM 1321 CA LEU A 85 0.050 18.146 -3.079 1.00 45.45 C ATOM 1322 C LEU A 85 0.546 18.956 -4.272 1.00 54.24 C ATOM 1323 O LEU A 85 -0.146 19.856 -4.747 1.00 11.22 O ATOM 1324 CB LEU A 85 1.052 18.250 -1.924 1.00 65.05 C ATOM 1325 CG LEU A 85 1.332 19.669 -1.422 1.00 20.11 C ATOM 1326 CD1 LEU A 85 0.053 20.324 -0.924 1.00 61.14 C ATOM 1327 CD2 LEU A 85 2.383 19.644 -0.323 1.00 73.51 C ATOM 0 H LEU A 85 0.507 16.102 -3.029 1.00 3.34 H new ATOM 0 HA LEU A 85 -0.908 18.563 -2.768 1.00 45.45 H new ATOM 0 HB2 LEU A 85 0.682 17.654 -1.090 1.00 65.05 H new ATOM 0 HB3 LEU A 85 1.994 17.803 -2.242 1.00 65.05 H new ATOM 0 HG LEU A 85 1.715 20.260 -2.254 1.00 20.11 H new ATOM 0 HD11 LEU A 85 0.274 21.332 -0.572 1.00 61.14 H new ATOM 0 HD12 LEU A 85 -0.671 20.374 -1.738 1.00 61.14 H new ATOM 0 HD13 LEU A 85 -0.362 19.736 -0.105 1.00 61.14 H new ATOM 0 HD21 LEU A 85 2.571 20.660 0.024 1.00 73.51 H new ATOM 0 HD22 LEU A 85 2.025 19.037 0.509 1.00 73.51 H new ATOM 0 HD23 LEU A 85 3.307 19.217 -0.713 1.00 73.51 H new ATOM 1339 N GLU A 86 1.737 18.628 -4.754 1.00 54.43 N ATOM 1340 CA GLU A 86 2.385 19.416 -5.792 1.00 64.43 C ATOM 1341 C GLU A 86 1.939 18.998 -7.188 1.00 71.03 C ATOM 1342 O GLU A 86 1.518 19.835 -7.983 1.00 63.11 O ATOM 1343 CB GLU A 86 3.920 19.351 -5.672 1.00 10.44 C ATOM 1344 CG GLU A 86 4.497 17.953 -5.457 1.00 13.22 C ATOM 1345 CD GLU A 86 4.278 17.428 -4.049 1.00 70.11 C ATOM 1346 OE1 GLU A 86 5.031 17.821 -3.131 1.00 23.25 O ATOM 1347 OE2 GLU A 86 3.342 16.630 -3.854 1.00 3.11 O ATOM 0 H GLU A 86 2.275 17.820 -4.441 1.00 54.43 H new ATOM 0 HA GLU A 86 2.074 20.450 -5.641 1.00 64.43 H new ATOM 0 HB2 GLU A 86 4.357 19.772 -6.577 1.00 10.44 H new ATOM 0 HB3 GLU A 86 4.231 19.986 -4.843 1.00 10.44 H new ATOM 0 HG2 GLU A 86 4.042 17.265 -6.170 1.00 13.22 H new ATOM 0 HG3 GLU A 86 5.566 17.971 -5.669 1.00 13.22 H new ATOM 1354 N ASP A 87 2.017 17.712 -7.488 1.00 75.15 N ATOM 1355 CA ASP A 87 1.668 17.231 -8.821 1.00 33.40 C ATOM 1356 C ASP A 87 0.449 16.311 -8.738 1.00 1.22 C ATOM 1357 O ASP A 87 -0.388 16.470 -7.850 1.00 51.43 O ATOM 1358 CB ASP A 87 2.874 16.508 -9.447 1.00 1.11 C ATOM 1359 CG ASP A 87 2.761 16.340 -10.956 1.00 41.14 C ATOM 1360 OD1 ASP A 87 3.041 17.305 -11.693 1.00 14.23 O ATOM 1361 OD2 ASP A 87 2.392 15.236 -11.410 1.00 14.54 O ATOM 0 H ASP A 87 2.315 16.986 -6.836 1.00 75.15 H new ATOM 0 HA ASP A 87 1.411 18.076 -9.460 1.00 33.40 H new ATOM 0 HB2 ASP A 87 3.782 17.066 -9.218 1.00 1.11 H new ATOM 0 HB3 ASP A 87 2.979 15.526 -8.986 1.00 1.11 H new ATOM 1366 N GLY A 88 0.344 15.377 -9.666 1.00 14.45 N ATOM 1367 CA GLY A 88 -0.755 14.436 -9.675 1.00 74.24 C ATOM 1368 C GLY A 88 -0.537 13.364 -10.717 1.00 0.50 C ATOM 1369 O GLY A 88 -1.429 13.057 -11.506 1.00 41.11 O ATOM 0 H GLY A 88 1.012 15.252 -10.426 1.00 14.45 H new ATOM 0 HA2 GLY A 88 -0.855 13.978 -8.691 1.00 74.24 H new ATOM 0 HA3 GLY A 88 -1.688 14.962 -9.878 1.00 74.24 H new ATOM 1373 N ALA A 89 0.663 12.794 -10.708 1.00 21.30 N ATOM 1374 CA ALA A 89 1.085 11.841 -11.731 1.00 2.05 C ATOM 1375 C ALA A 89 0.262 10.563 -11.697 1.00 11.14 C ATOM 1376 O ALA A 89 0.140 9.868 -12.703 1.00 10.33 O ATOM 1377 CB ALA A 89 2.561 11.517 -11.562 1.00 10.11 C ATOM 0 H ALA A 89 1.369 12.978 -9.995 1.00 21.30 H new ATOM 0 HA ALA A 89 0.921 12.308 -12.702 1.00 2.05 H new ATOM 0 HB1 ALA A 89 2.867 10.806 -12.329 1.00 10.11 H new ATOM 0 HB2 ALA A 89 3.148 12.431 -11.659 1.00 10.11 H new ATOM 0 HB3 ALA A 89 2.728 11.082 -10.576 1.00 10.11 H new ATOM 1383 N TYR A 90 -0.297 10.251 -10.540 1.00 31.11 N ATOM 1384 CA TYR A 90 -1.075 9.033 -10.392 1.00 53.21 C ATOM 1385 C TYR A 90 -2.437 9.318 -9.785 1.00 2.50 C ATOM 1386 O TYR A 90 -3.460 9.017 -10.394 1.00 74.42 O ATOM 1387 CB TYR A 90 -0.324 8.014 -9.529 1.00 11.35 C ATOM 1388 CG TYR A 90 0.950 7.508 -10.163 1.00 51.12 C ATOM 1389 CD1 TYR A 90 0.912 6.621 -11.233 1.00 2.52 C ATOM 1390 CD2 TYR A 90 2.191 7.911 -9.689 1.00 22.12 C ATOM 1391 CE1 TYR A 90 2.073 6.158 -11.817 1.00 14.30 C ATOM 1392 CE2 TYR A 90 3.357 7.452 -10.267 1.00 32.25 C ATOM 1393 CZ TYR A 90 3.292 6.575 -11.329 1.00 64.32 C ATOM 1394 OH TYR A 90 4.451 6.117 -11.911 1.00 21.10 O ATOM 0 H TYR A 90 -0.228 10.819 -9.696 1.00 31.11 H new ATOM 0 HA TYR A 90 -1.224 8.616 -11.388 1.00 53.21 H new ATOM 0 HB2 TYR A 90 -0.086 8.470 -8.568 1.00 11.35 H new ATOM 0 HB3 TYR A 90 -0.980 7.168 -9.327 1.00 11.35 H new ATOM 0 HD1 TYR A 90 -0.043 6.289 -11.613 1.00 2.52 H new ATOM 0 HD2 TYR A 90 2.245 8.595 -8.855 1.00 22.12 H new ATOM 0 HE1 TYR A 90 2.027 5.473 -12.651 1.00 14.30 H new ATOM 0 HE2 TYR A 90 4.315 7.778 -9.890 1.00 32.25 H new ATOM 0 HH TYR A 90 4.290 5.934 -12.860 1.00 21.10 H new ATOM 1404 N SER A 91 -2.437 9.912 -8.592 1.00 31.40 N ATOM 1405 CA SER A 91 -3.662 10.119 -7.829 1.00 75.40 C ATOM 1406 C SER A 91 -4.357 8.779 -7.595 1.00 25.12 C ATOM 1407 O SER A 91 -5.265 8.389 -8.329 1.00 53.13 O ATOM 1408 CB SER A 91 -4.585 11.110 -8.542 1.00 13.01 C ATOM 1409 OG SER A 91 -3.935 12.361 -8.715 1.00 15.11 O ATOM 0 H SER A 91 -1.595 10.259 -8.133 1.00 31.40 H new ATOM 0 HA SER A 91 -3.410 10.550 -6.860 1.00 75.40 H new ATOM 0 HB2 SER A 91 -4.878 10.709 -9.512 1.00 13.01 H new ATOM 0 HB3 SER A 91 -5.499 11.245 -7.963 1.00 13.01 H new ATOM 0 HG SER A 91 -3.221 12.453 -8.050 1.00 15.11 H new ATOM 1415 N VAL A 92 -3.896 8.080 -6.566 1.00 43.24 N ATOM 1416 CA VAL A 92 -4.283 6.696 -6.328 1.00 3.22 C ATOM 1417 C VAL A 92 -5.733 6.563 -5.864 1.00 61.12 C ATOM 1418 O VAL A 92 -6.380 7.546 -5.497 1.00 71.52 O ATOM 1419 CB VAL A 92 -3.341 6.040 -5.297 1.00 54.45 C ATOM 1420 CG1 VAL A 92 -1.898 6.118 -5.783 1.00 34.14 C ATOM 1421 CG2 VAL A 92 -3.480 6.693 -3.928 1.00 74.23 C ATOM 0 H VAL A 92 -3.246 8.455 -5.875 1.00 43.24 H new ATOM 0 HA VAL A 92 -4.197 6.178 -7.283 1.00 3.22 H new ATOM 0 HB VAL A 92 -3.624 4.992 -5.195 1.00 54.45 H new ATOM 0 HG11 VAL A 92 -1.241 5.652 -5.048 1.00 34.14 H new ATOM 0 HG12 VAL A 92 -1.806 5.595 -6.735 1.00 34.14 H new ATOM 0 HG13 VAL A 92 -1.614 7.162 -5.913 1.00 34.14 H new ATOM 0 HG21 VAL A 92 -2.804 6.209 -3.224 1.00 74.23 H new ATOM 0 HG22 VAL A 92 -3.230 7.751 -4.003 1.00 74.23 H new ATOM 0 HG23 VAL A 92 -4.506 6.587 -3.577 1.00 74.23 H new ATOM 1431 N ALA A 93 -6.236 5.337 -5.898 1.00 10.24 N ATOM 1432 CA ALA A 93 -7.606 5.058 -5.504 1.00 53.44 C ATOM 1433 C ALA A 93 -7.660 4.540 -4.074 1.00 51.21 C ATOM 1434 O ALA A 93 -6.749 3.835 -3.621 1.00 33.10 O ATOM 1435 CB ALA A 93 -8.240 4.054 -6.454 1.00 3.23 C ATOM 0 H ALA A 93 -5.710 4.516 -6.197 1.00 10.24 H new ATOM 0 HA ALA A 93 -8.171 5.989 -5.554 1.00 53.44 H new ATOM 0 HB1 ALA A 93 -9.266 3.857 -6.143 1.00 3.23 H new ATOM 0 HB2 ALA A 93 -8.239 4.459 -7.466 1.00 3.23 H new ATOM 0 HB3 ALA A 93 -7.670 3.125 -6.435 1.00 3.23 H new ATOM 1441 N ALA A 94 -8.730 4.886 -3.376 1.00 44.15 N ATOM 1442 CA ALA A 94 -8.909 4.491 -1.993 1.00 13.33 C ATOM 1443 C ALA A 94 -10.229 3.761 -1.814 1.00 13.23 C ATOM 1444 O ALA A 94 -11.301 4.361 -1.888 1.00 64.31 O ATOM 1445 CB ALA A 94 -8.850 5.705 -1.083 1.00 13.33 C ATOM 0 H ALA A 94 -9.495 5.446 -3.753 1.00 44.15 H new ATOM 0 HA ALA A 94 -8.100 3.813 -1.721 1.00 13.33 H new ATOM 0 HB1 ALA A 94 -8.986 5.391 -0.048 1.00 13.33 H new ATOM 0 HB2 ALA A 94 -7.881 6.193 -1.190 1.00 13.33 H new ATOM 0 HB3 ALA A 94 -9.640 6.404 -1.357 1.00 13.33 H new ATOM 1451 N TYR A 95 -10.140 2.464 -1.606 1.00 31.44 N ATOM 1452 CA TYR A 95 -11.316 1.648 -1.352 1.00 22.52 C ATOM 1453 C TYR A 95 -11.671 1.717 0.124 1.00 75.41 C ATOM 1454 O TYR A 95 -10.783 1.796 0.974 1.00 3.23 O ATOM 1455 CB TYR A 95 -11.062 0.195 -1.770 1.00 44.32 C ATOM 1456 CG TYR A 95 -10.702 0.035 -3.231 1.00 51.52 C ATOM 1457 CD1 TYR A 95 -11.689 -0.048 -4.204 1.00 41.15 C ATOM 1458 CD2 TYR A 95 -9.374 -0.029 -3.636 1.00 23.44 C ATOM 1459 CE1 TYR A 95 -11.363 -0.191 -5.540 1.00 73.12 C ATOM 1460 CE2 TYR A 95 -9.039 -0.170 -4.970 1.00 61.44 C ATOM 1461 CZ TYR A 95 -10.038 -0.252 -5.918 1.00 3.42 C ATOM 1462 OH TYR A 95 -9.716 -0.392 -7.250 1.00 35.23 O ATOM 0 H TYR A 95 -9.261 1.947 -1.607 1.00 31.44 H new ATOM 0 HA TYR A 95 -12.149 2.031 -1.941 1.00 22.52 H new ATOM 0 HB2 TYR A 95 -10.256 -0.213 -1.160 1.00 44.32 H new ATOM 0 HB3 TYR A 95 -11.953 -0.396 -1.558 1.00 44.32 H new ATOM 0 HD1 TYR A 95 -12.728 -0.000 -3.913 1.00 41.15 H new ATOM 0 HD2 TYR A 95 -8.590 0.032 -2.896 1.00 23.44 H new ATOM 0 HE1 TYR A 95 -12.143 -0.255 -6.285 1.00 73.12 H new ATOM 0 HE2 TYR A 95 -8.002 -0.216 -5.268 1.00 61.44 H new ATOM 0 HH TYR A 95 -8.795 -0.718 -7.331 1.00 35.23 H new ATOM 1472 N ASP A 96 -12.958 1.702 0.431 1.00 43.51 N ATOM 1473 CA ASP A 96 -13.401 1.805 1.815 1.00 44.33 C ATOM 1474 C ASP A 96 -13.062 0.530 2.576 1.00 63.22 C ATOM 1475 O ASP A 96 -13.258 -0.575 2.072 1.00 62.41 O ATOM 1476 CB ASP A 96 -14.899 2.084 1.893 1.00 2.35 C ATOM 1477 CG ASP A 96 -15.345 2.437 3.298 1.00 55.33 C ATOM 1478 OD1 ASP A 96 -14.769 3.378 3.887 1.00 10.30 O ATOM 1479 OD2 ASP A 96 -16.286 1.802 3.809 1.00 42.53 O ATOM 0 H ASP A 96 -13.711 1.620 -0.253 1.00 43.51 H new ATOM 0 HA ASP A 96 -12.876 2.642 2.276 1.00 44.33 H new ATOM 0 HB2 ASP A 96 -15.150 2.902 1.218 1.00 2.35 H new ATOM 0 HB3 ASP A 96 -15.448 1.208 1.549 1.00 2.35 H new ATOM 1484 N THR A 97 -12.550 0.691 3.786 1.00 12.20 N ATOM 1485 CA THR A 97 -12.082 -0.433 4.582 1.00 62.51 C ATOM 1486 C THR A 97 -12.716 -0.407 5.967 1.00 64.31 C ATOM 1487 O THR A 97 -12.941 0.668 6.529 1.00 63.35 O ATOM 1488 CB THR A 97 -10.548 -0.376 4.742 1.00 63.41 C ATOM 1489 OG1 THR A 97 -10.168 0.839 5.402 1.00 22.31 O ATOM 1490 CG2 THR A 97 -9.856 -0.443 3.391 1.00 4.40 C ATOM 0 H THR A 97 -12.447 1.598 4.242 1.00 12.20 H new ATOM 0 HA THR A 97 -12.366 -1.350 4.066 1.00 62.51 H new ATOM 0 HB THR A 97 -10.241 -1.235 5.339 1.00 63.41 H new ATOM 0 HG1 THR A 97 -9.193 0.866 5.501 1.00 22.31 H new ATOM 0 HG21 THR A 97 -8.776 -0.401 3.533 1.00 4.40 H new ATOM 0 HG22 THR A 97 -10.120 -1.376 2.893 1.00 4.40 H new ATOM 0 HG23 THR A 97 -10.174 0.399 2.777 1.00 4.40 H new ATOM 1498 N GLN A 98 -13.008 -1.576 6.516 1.00 21.54 N ATOM 1499 CA GLN A 98 -13.490 -1.665 7.884 1.00 41.02 C ATOM 1500 C GLN A 98 -12.874 -2.858 8.601 1.00 71.24 C ATOM 1501 O GLN A 98 -12.670 -3.923 8.011 1.00 74.25 O ATOM 1502 CB GLN A 98 -15.020 -1.743 7.939 1.00 64.53 C ATOM 1503 CG GLN A 98 -15.627 -2.842 7.085 1.00 11.14 C ATOM 1504 CD GLN A 98 -17.114 -3.006 7.330 1.00 33.43 C ATOM 1505 OE1 GLN A 98 -17.530 -3.800 8.174 1.00 55.45 O ATOM 1506 NE2 GLN A 98 -17.928 -2.256 6.606 1.00 55.41 N ATOM 0 H GLN A 98 -12.920 -2.472 6.037 1.00 21.54 H new ATOM 0 HA GLN A 98 -13.182 -0.754 8.396 1.00 41.02 H new ATOM 0 HB2 GLN A 98 -15.326 -1.894 8.974 1.00 64.53 H new ATOM 0 HB3 GLN A 98 -15.431 -0.785 7.621 1.00 64.53 H new ATOM 0 HG2 GLN A 98 -15.457 -2.617 6.032 1.00 11.14 H new ATOM 0 HG3 GLN A 98 -15.120 -3.784 7.295 1.00 11.14 H new ATOM 0 HE21 GLN A 98 -17.547 -1.609 5.916 1.00 55.41 H new ATOM 0 HE22 GLN A 98 -18.937 -2.325 6.738 1.00 55.41 H new ATOM 1515 N VAL A 99 -12.562 -2.662 9.867 1.00 61.42 N ATOM 1516 CA VAL A 99 -12.018 -3.721 10.698 1.00 65.35 C ATOM 1517 C VAL A 99 -13.054 -4.125 11.736 1.00 70.04 C ATOM 1518 O VAL A 99 -13.217 -3.464 12.759 1.00 50.50 O ATOM 1519 CB VAL A 99 -10.724 -3.283 11.416 1.00 4.21 C ATOM 1520 CG1 VAL A 99 -10.103 -4.451 12.169 1.00 31.51 C ATOM 1521 CG2 VAL A 99 -9.730 -2.686 10.427 1.00 52.22 C ATOM 0 H VAL A 99 -12.677 -1.770 10.348 1.00 61.42 H new ATOM 0 HA VAL A 99 -11.773 -4.563 10.050 1.00 65.35 H new ATOM 0 HB VAL A 99 -10.983 -2.511 12.141 1.00 4.21 H new ATOM 0 HG11 VAL A 99 -9.192 -4.119 12.668 1.00 31.51 H new ATOM 0 HG12 VAL A 99 -10.809 -4.821 12.912 1.00 31.51 H new ATOM 0 HG13 VAL A 99 -9.862 -5.250 11.467 1.00 31.51 H new ATOM 0 HG21 VAL A 99 -8.826 -2.385 10.957 1.00 52.22 H new ATOM 0 HG22 VAL A 99 -9.477 -3.430 9.672 1.00 52.22 H new ATOM 0 HG23 VAL A 99 -10.175 -1.816 9.945 1.00 52.22 H new ATOM 1531 N THR A 100 -13.773 -5.196 11.456 1.00 4.10 N ATOM 1532 CA THR A 100 -14.886 -5.593 12.309 1.00 63.12 C ATOM 1533 C THR A 100 -14.773 -7.058 12.728 1.00 55.30 C ATOM 1534 O THR A 100 -15.595 -7.568 13.489 1.00 62.11 O ATOM 1535 CB THR A 100 -16.232 -5.345 11.584 1.00 60.12 C ATOM 1536 OG1 THR A 100 -17.340 -5.657 12.438 1.00 22.40 O ATOM 1537 CG2 THR A 100 -16.324 -6.168 10.306 1.00 2.24 C ATOM 0 H THR A 100 -13.611 -5.804 10.653 1.00 4.10 H new ATOM 0 HA THR A 100 -14.850 -4.983 13.212 1.00 63.12 H new ATOM 0 HB THR A 100 -16.273 -4.287 11.325 1.00 60.12 H new ATOM 0 HG1 THR A 100 -17.086 -6.376 13.053 1.00 22.40 H new ATOM 0 HG21 THR A 100 -17.279 -5.975 9.817 1.00 2.24 H new ATOM 0 HG22 THR A 100 -15.510 -5.891 9.636 1.00 2.24 H new ATOM 0 HG23 THR A 100 -16.249 -7.228 10.550 1.00 2.24 H new ATOM 1545 N ASN A 101 -13.740 -7.732 12.247 1.00 71.53 N ATOM 1546 CA ASN A 101 -13.586 -9.156 12.514 1.00 32.14 C ATOM 1547 C ASN A 101 -12.139 -9.471 12.874 1.00 24.55 C ATOM 1548 O ASN A 101 -11.663 -10.588 12.690 1.00 14.31 O ATOM 1549 CB ASN A 101 -14.020 -9.954 11.275 1.00 40.12 C ATOM 1550 CG ASN A 101 -14.318 -11.412 11.576 1.00 45.23 C ATOM 1551 OD1 ASN A 101 -13.443 -12.273 11.490 1.00 40.21 O ATOM 1552 ND2 ASN A 101 -15.565 -11.698 11.911 1.00 40.03 N ATOM 0 H ASN A 101 -13.002 -7.322 11.675 1.00 71.53 H new ATOM 0 HA ASN A 101 -14.215 -9.438 13.358 1.00 32.14 H new ATOM 0 HB2 ASN A 101 -14.907 -9.490 10.845 1.00 40.12 H new ATOM 0 HB3 ASN A 101 -13.234 -9.899 10.522 1.00 40.12 H new ATOM 0 HD21 ASN A 101 -15.831 -12.662 12.109 1.00 40.03 H new ATOM 0 HD22 ASN A 101 -16.260 -10.954 11.971 1.00 40.03 H new ATOM 1559 N GLY A 102 -11.430 -8.468 13.382 1.00 51.42 N ATOM 1560 CA GLY A 102 -10.012 -8.630 13.671 1.00 63.11 C ATOM 1561 C GLY A 102 -9.174 -8.544 12.410 1.00 11.05 C ATOM 1562 O GLY A 102 -7.983 -8.235 12.449 1.00 35.04 O ATOM 0 H GLY A 102 -11.809 -7.546 13.599 1.00 51.42 H new ATOM 0 HA2 GLY A 102 -9.693 -7.861 14.374 1.00 63.11 H new ATOM 0 HA3 GLY A 102 -9.846 -9.593 14.154 1.00 63.11 H new ATOM 1566 N ASN A 103 -9.816 -8.824 11.292 1.00 15.52 N ATOM 1567 CA ASN A 103 -9.200 -8.723 9.988 1.00 61.12 C ATOM 1568 C ASN A 103 -9.688 -7.462 9.297 1.00 73.04 C ATOM 1569 O ASN A 103 -10.784 -6.971 9.593 1.00 43.30 O ATOM 1570 CB ASN A 103 -9.558 -9.943 9.139 1.00 63.14 C ATOM 1571 CG ASN A 103 -9.041 -11.245 9.716 1.00 24.15 C ATOM 1572 OD1 ASN A 103 -7.923 -11.662 9.423 1.00 60.12 O ATOM 1573 ND2 ASN A 103 -9.855 -11.908 10.527 1.00 52.43 N ATOM 0 H ASN A 103 -10.789 -9.131 11.266 1.00 15.52 H new ATOM 0 HA ASN A 103 -8.117 -8.682 10.108 1.00 61.12 H new ATOM 0 HB2 ASN A 103 -10.642 -10.002 9.039 1.00 63.14 H new ATOM 0 HB3 ASN A 103 -9.152 -9.811 8.136 1.00 63.14 H new ATOM 0 HD21 ASN A 103 -9.560 -12.797 10.931 1.00 52.43 H new ATOM 0 HD22 ASN A 103 -10.776 -11.529 10.747 1.00 52.43 H new ATOM 1580 N VAL A 104 -8.883 -6.935 8.392 1.00 74.34 N ATOM 1581 CA VAL A 104 -9.262 -5.748 7.645 1.00 42.24 C ATOM 1582 C VAL A 104 -9.990 -6.148 6.368 1.00 34.41 C ATOM 1583 O VAL A 104 -9.443 -6.868 5.528 1.00 12.22 O ATOM 1584 CB VAL A 104 -8.035 -4.882 7.287 1.00 31.43 C ATOM 1585 CG1 VAL A 104 -8.457 -3.599 6.586 1.00 64.10 C ATOM 1586 CG2 VAL A 104 -7.220 -4.568 8.531 1.00 21.31 C ATOM 0 H VAL A 104 -7.964 -7.309 8.156 1.00 74.34 H new ATOM 0 HA VAL A 104 -9.921 -5.156 8.280 1.00 42.24 H new ATOM 0 HB VAL A 104 -7.410 -5.452 6.599 1.00 31.43 H new ATOM 0 HG11 VAL A 104 -7.573 -3.008 6.345 1.00 64.10 H new ATOM 0 HG12 VAL A 104 -8.990 -3.845 5.668 1.00 64.10 H new ATOM 0 HG13 VAL A 104 -9.110 -3.024 7.242 1.00 64.10 H new ATOM 0 HG21 VAL A 104 -6.360 -3.957 8.258 1.00 21.31 H new ATOM 0 HG22 VAL A 104 -7.840 -4.024 9.244 1.00 21.31 H new ATOM 0 HG23 VAL A 104 -6.875 -5.497 8.984 1.00 21.31 H new ATOM 1596 N GLN A 105 -11.228 -5.697 6.235 1.00 53.32 N ATOM 1597 CA GLN A 105 -12.041 -6.036 5.079 1.00 35.42 C ATOM 1598 C GLN A 105 -12.321 -4.784 4.257 1.00 62.41 C ATOM 1599 O GLN A 105 -12.780 -3.771 4.790 1.00 34.43 O ATOM 1600 CB GLN A 105 -13.345 -6.702 5.532 1.00 32.30 C ATOM 1601 CG GLN A 105 -13.113 -7.918 6.415 1.00 31.31 C ATOM 1602 CD GLN A 105 -14.393 -8.557 6.924 1.00 24.21 C ATOM 1603 OE1 GLN A 105 -14.426 -9.109 8.025 1.00 1.44 O ATOM 1604 NE2 GLN A 105 -15.449 -8.514 6.128 1.00 41.22 N ATOM 0 H GLN A 105 -11.692 -5.094 6.915 1.00 53.32 H new ATOM 0 HA GLN A 105 -11.500 -6.743 4.451 1.00 35.42 H new ATOM 0 HB2 GLN A 105 -13.949 -5.975 6.075 1.00 32.30 H new ATOM 0 HB3 GLN A 105 -13.918 -7.001 4.654 1.00 32.30 H new ATOM 0 HG2 GLN A 105 -12.545 -8.660 5.854 1.00 31.31 H new ATOM 0 HG3 GLN A 105 -12.500 -7.625 7.267 1.00 31.31 H new ATOM 0 HE21 GLN A 105 -15.387 -8.048 5.223 1.00 41.22 H new ATOM 0 HE22 GLN A 105 -16.326 -8.946 6.420 1.00 41.22 H new ATOM 1613 N ILE A 106 -12.020 -4.851 2.965 1.00 34.43 N ATOM 1614 CA ILE A 106 -12.174 -3.705 2.077 1.00 53.35 C ATOM 1615 C ILE A 106 -13.351 -3.904 1.128 1.00 12.45 C ATOM 1616 O ILE A 106 -13.728 -5.038 0.821 1.00 50.12 O ATOM 1617 CB ILE A 106 -10.889 -3.425 1.245 1.00 72.22 C ATOM 1618 CG1 ILE A 106 -10.774 -4.356 0.021 1.00 35.30 C ATOM 1619 CG2 ILE A 106 -9.649 -3.559 2.121 1.00 42.53 C ATOM 1620 CD1 ILE A 106 -10.498 -5.807 0.355 1.00 75.15 C ATOM 0 H ILE A 106 -11.666 -5.691 2.508 1.00 34.43 H new ATOM 0 HA ILE A 106 -12.361 -2.843 2.718 1.00 53.35 H new ATOM 0 HB ILE A 106 -10.962 -2.402 0.875 1.00 72.22 H new ATOM 0 HG12 ILE A 106 -11.700 -4.298 -0.551 1.00 35.30 H new ATOM 0 HG13 ILE A 106 -9.977 -3.988 -0.625 1.00 35.30 H new ATOM 0 HG21 ILE A 106 -8.759 -3.360 1.524 1.00 42.53 H new ATOM 0 HG22 ILE A 106 -9.704 -2.843 2.941 1.00 42.53 H new ATOM 0 HG23 ILE A 106 -9.597 -4.570 2.525 1.00 42.53 H new ATOM 0 HD11 ILE A 106 -10.433 -6.386 -0.566 1.00 75.15 H new ATOM 0 HD12 ILE A 106 -9.556 -5.883 0.898 1.00 75.15 H new ATOM 0 HD13 ILE A 106 -11.306 -6.198 0.974 1.00 75.15 H new ATOM 1632 N SER A 107 -13.935 -2.800 0.687 1.00 34.54 N ATOM 1633 CA SER A 107 -15.009 -2.838 -0.288 1.00 64.02 C ATOM 1634 C SER A 107 -14.412 -2.950 -1.686 1.00 10.43 C ATOM 1635 O SER A 107 -13.824 -1.994 -2.204 1.00 4.53 O ATOM 1636 CB SER A 107 -15.883 -1.584 -0.169 1.00 53.34 C ATOM 1637 OG SER A 107 -17.019 -1.656 -1.018 1.00 13.44 O ATOM 0 H SER A 107 -13.679 -1.861 0.993 1.00 34.54 H new ATOM 0 HA SER A 107 -15.641 -3.706 -0.099 1.00 64.02 H new ATOM 0 HB2 SER A 107 -16.208 -1.463 0.864 1.00 53.34 H new ATOM 0 HB3 SER A 107 -15.293 -0.703 -0.423 1.00 53.34 H new ATOM 0 HG SER A 107 -17.555 -0.842 -0.916 1.00 13.44 H new ATOM 1643 N ILE A 108 -14.539 -4.124 -2.282 1.00 61.03 N ATOM 1644 CA ILE A 108 -13.914 -4.391 -3.568 1.00 1.51 C ATOM 1645 C ILE A 108 -14.736 -3.848 -4.735 1.00 35.35 C ATOM 1646 O ILE A 108 -15.905 -4.182 -4.912 1.00 73.24 O ATOM 1647 CB ILE A 108 -13.610 -5.900 -3.764 1.00 24.41 C ATOM 1648 CG1 ILE A 108 -14.713 -6.789 -3.167 1.00 63.45 C ATOM 1649 CG2 ILE A 108 -12.264 -6.249 -3.148 1.00 53.13 C ATOM 1650 CD1 ILE A 108 -15.902 -7.015 -4.077 1.00 22.30 C ATOM 0 H ILE A 108 -15.068 -4.907 -1.897 1.00 61.03 H new ATOM 0 HA ILE A 108 -12.964 -3.857 -3.560 1.00 1.51 H new ATOM 0 HB ILE A 108 -13.577 -6.092 -4.836 1.00 24.41 H new ATOM 0 HG12 ILE A 108 -14.282 -7.756 -2.908 1.00 63.45 H new ATOM 0 HG13 ILE A 108 -15.063 -6.337 -2.239 1.00 63.45 H new ATOM 0 HG21 ILE A 108 -12.062 -7.310 -3.292 1.00 53.13 H new ATOM 0 HG22 ILE A 108 -11.481 -5.662 -3.628 1.00 53.13 H new ATOM 0 HG23 ILE A 108 -12.283 -6.025 -2.081 1.00 53.13 H new ATOM 0 HD11 ILE A 108 -16.629 -7.653 -3.574 1.00 22.30 H new ATOM 0 HD12 ILE A 108 -16.364 -6.057 -4.317 1.00 22.30 H new ATOM 0 HD13 ILE A 108 -15.570 -7.498 -4.996 1.00 22.30 H new ATOM 1662 N ALA A 109 -14.112 -2.976 -5.512 1.00 12.45 N ATOM 1663 CA ALA A 109 -14.705 -2.475 -6.744 1.00 64.31 C ATOM 1664 C ALA A 109 -13.935 -3.041 -7.926 1.00 30.05 C ATOM 1665 O ALA A 109 -13.924 -2.479 -9.023 1.00 43.43 O ATOM 1666 CB ALA A 109 -14.694 -0.954 -6.761 1.00 74.34 C ATOM 0 H ALA A 109 -13.187 -2.597 -5.309 1.00 12.45 H new ATOM 0 HA ALA A 109 -15.745 -2.795 -6.809 1.00 64.31 H new ATOM 0 HB1 ALA A 109 -15.141 -0.597 -7.689 1.00 74.34 H new ATOM 0 HB2 ALA A 109 -15.267 -0.577 -5.914 1.00 74.34 H new ATOM 0 HB3 ALA A 109 -13.666 -0.597 -6.692 1.00 74.34 H new