USER MOD reduce.3.24.130724 H: found=0, std=0, add=1138, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1135 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 9 GLN : amide:sc= 0.0383 X(o=-0.13,f=-0.38) USER MOD Set 1.2: A 32 ASN : amide:sc= -0.169 X(o=-0.13,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.0313 (180deg=-0.291) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0178 USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0491) USER MOD Single : A 17 THR OG1 : rot -101:sc= 1.19 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.0806 X(o=-0.081,f=-0.015) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.74 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 177:sc= -3.33 (180deg=-3.36) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -172:sc= -0.204 (180deg=-0.32) USER MOD Single : A 43 MET CE :methyl 176:sc= 0 (180deg=-0.0162) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -170:sc= -0.712 (180deg=-0.805) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -157:sc= -0.916 (180deg=-1.87) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 53 ASN : amide:sc= -0.319 X(o=-0.32,f=-0.01) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.375 X(o=-0.37,f=-0.37) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.4) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.513) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 130:sc= -0.0446 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -160:sc= -2.64! USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -2.46! C(o=-2.5!,f=-2.4!) USER MOD Single : A 100 SER OG : rot -150:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 CYS SG : rot 70:sc= -0.0629 USER MOD Single : A 110 HIS : no HD1:sc= -0.301 K(o=-0.3,f=-1.3) USER MOD Single : A 119 CYS SG : rot 55:sc= -1.6! USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.239 USER MOD Single : A 125 TYR OH : rot 81:sc= 1.21 USER MOD Single : A 126 TYR OH : rot -56:sc= 0.306 USER MOD Single : A 129 SER OG : rot 24:sc= 0.0834 USER MOD Single : A 130 SER OG : rot 36:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.219 -3.960 -4.336 1.00 15.32 N ATOM 2 CA MET A 1 0.173 -3.109 -5.453 1.00 51.50 C ATOM 3 C MET A 1 1.456 -2.349 -5.133 1.00 65.02 C ATOM 4 O MET A 1 2.213 -1.984 -6.032 1.00 53.31 O ATOM 5 CB MET A 1 -0.947 -2.122 -5.788 1.00 53.12 C ATOM 6 CG MET A 1 -0.673 -1.290 -7.030 1.00 43.23 C ATOM 7 SD MET A 1 -2.173 -0.588 -7.742 1.00 13.11 S ATOM 8 CE MET A 1 -1.795 1.161 -7.671 1.00 54.52 C ATOM 0 H1 MET A 1 -0.931 -4.647 -4.656 1.00 15.32 H new ATOM 0 H2 MET A 1 0.615 -4.467 -3.977 1.00 15.32 H new ATOM 0 H3 MET A 1 -0.621 -3.373 -3.577 1.00 15.32 H new ATOM 0 HA MET A 1 0.355 -3.748 -6.317 1.00 51.50 H new ATOM 0 HB2 MET A 1 -1.876 -2.674 -5.928 1.00 53.12 H new ATOM 0 HB3 MET A 1 -1.098 -1.454 -4.940 1.00 53.12 H new ATOM 0 HG2 MET A 1 0.016 -0.484 -6.778 1.00 43.23 H new ATOM 0 HG3 MET A 1 -0.178 -1.911 -7.776 1.00 43.23 H new ATOM 0 HE1 MET A 1 -2.631 1.731 -8.078 1.00 54.52 H new ATOM 0 HE2 MET A 1 -1.625 1.455 -6.635 1.00 54.52 H new ATOM 0 HE3 MET A 1 -0.898 1.364 -8.257 1.00 54.52 H new ATOM 18 N ASN A 2 1.695 -2.115 -3.847 1.00 3.41 N ATOM 19 CA ASN A 2 2.887 -1.397 -3.409 1.00 64.51 C ATOM 20 C ASN A 2 4.142 -2.235 -3.641 1.00 14.33 C ATOM 21 O ASN A 2 4.059 -3.407 -4.008 1.00 12.12 O ATOM 22 CB ASN A 2 2.772 -1.030 -1.928 1.00 70.33 C ATOM 23 CG ASN A 2 2.182 0.351 -1.719 1.00 71.04 C ATOM 24 OD1 ASN A 2 0.975 0.500 -1.528 1.00 0.14 O ATOM 25 ND2 ASN A 2 3.033 1.370 -1.756 1.00 62.51 N ATOM 0 H ASN A 2 1.079 -2.412 -3.090 1.00 3.41 H new ATOM 0 HA ASN A 2 2.967 -0.483 -3.997 1.00 64.51 H new ATOM 0 HB2 ASN A 2 2.151 -1.768 -1.421 1.00 70.33 H new ATOM 0 HB3 ASN A 2 3.759 -1.074 -1.468 1.00 70.33 H new ATOM 0 HD21 ASN A 2 2.694 2.323 -1.623 1.00 62.51 H new ATOM 0 HD22 ASN A 2 4.026 1.200 -1.917 1.00 62.51 H new ATOM 32 N ASP A 3 5.302 -1.625 -3.423 1.00 74.01 N ATOM 33 CA ASP A 3 6.574 -2.314 -3.606 1.00 73.13 C ATOM 34 C ASP A 3 7.326 -2.426 -2.284 1.00 44.01 C ATOM 35 O ASP A 3 7.943 -1.463 -1.827 1.00 22.44 O ATOM 36 CB ASP A 3 7.433 -1.579 -4.636 1.00 11.41 C ATOM 37 CG ASP A 3 6.608 -0.987 -5.762 1.00 31.12 C ATOM 38 OD1 ASP A 3 5.886 -1.753 -6.434 1.00 22.13 O ATOM 39 OD2 ASP A 3 6.685 0.242 -5.972 1.00 35.22 O ATOM 0 H ASP A 3 5.388 -0.655 -3.119 1.00 74.01 H new ATOM 0 HA ASP A 3 6.365 -3.320 -3.971 1.00 73.13 H new ATOM 0 HB2 ASP A 3 7.989 -0.783 -4.140 1.00 11.41 H new ATOM 0 HB3 ASP A 3 8.167 -2.269 -5.052 1.00 11.41 H new ATOM 44 N ILE A 4 7.270 -3.606 -1.675 1.00 41.42 N ATOM 45 CA ILE A 4 7.946 -3.843 -0.406 1.00 4.51 C ATOM 46 C ILE A 4 9.000 -4.936 -0.540 1.00 64.43 C ATOM 47 O ILE A 4 8.909 -5.797 -1.416 1.00 55.32 O ATOM 48 CB ILE A 4 6.949 -4.239 0.698 1.00 33.51 C ATOM 49 CG1 ILE A 4 5.791 -5.045 0.104 1.00 25.33 C ATOM 50 CG2 ILE A 4 6.428 -3.001 1.411 1.00 14.24 C ATOM 51 CD1 ILE A 4 6.230 -6.330 -0.563 1.00 52.14 C ATOM 0 H ILE A 4 6.763 -4.412 -2.040 1.00 41.42 H new ATOM 0 HA ILE A 4 8.430 -2.907 -0.127 1.00 4.51 H new ATOM 0 HB ILE A 4 7.466 -4.863 1.427 1.00 33.51 H new ATOM 0 HG12 ILE A 4 5.079 -5.280 0.895 1.00 25.33 H new ATOM 0 HG13 ILE A 4 5.265 -4.428 -0.625 1.00 25.33 H new ATOM 0 HG21 ILE A 4 5.724 -3.298 2.189 1.00 14.24 H new ATOM 0 HG22 ILE A 4 7.262 -2.463 1.862 1.00 14.24 H new ATOM 0 HG23 ILE A 4 5.924 -2.353 0.694 1.00 14.24 H new ATOM 0 HD11 ILE A 4 5.358 -6.849 -0.961 1.00 52.14 H new ATOM 0 HD12 ILE A 4 6.919 -6.101 -1.376 1.00 52.14 H new ATOM 0 HD13 ILE A 4 6.730 -6.967 0.167 1.00 52.14 H new ATOM 63 N ARG A 5 10.000 -4.898 0.334 1.00 1.15 N ATOM 64 CA ARG A 5 11.072 -5.886 0.314 1.00 34.31 C ATOM 65 C ARG A 5 10.526 -7.286 0.582 1.00 15.32 C ATOM 66 O ARG A 5 9.538 -7.450 1.299 1.00 72.32 O ATOM 67 CB ARG A 5 12.138 -5.536 1.354 1.00 52.54 C ATOM 68 CG ARG A 5 13.103 -4.455 0.895 1.00 1.30 C ATOM 69 CD ARG A 5 12.398 -3.121 0.708 1.00 54.35 C ATOM 70 NE ARG A 5 11.662 -2.718 1.903 1.00 2.32 N ATOM 71 CZ ARG A 5 10.738 -1.764 1.911 1.00 53.23 C ATOM 72 NH1 ARG A 5 10.437 -1.119 0.792 1.00 11.21 N ATOM 73 NH2 ARG A 5 10.112 -1.454 3.039 1.00 53.12 N ATOM 0 H ARG A 5 10.090 -4.193 1.066 1.00 1.15 H new ATOM 0 HA ARG A 5 11.524 -5.874 -0.678 1.00 34.31 H new ATOM 0 HB2 ARG A 5 11.646 -5.208 2.270 1.00 52.54 H new ATOM 0 HB3 ARG A 5 12.703 -6.435 1.600 1.00 52.54 H new ATOM 0 HG2 ARG A 5 13.903 -4.345 1.627 1.00 1.30 H new ATOM 0 HG3 ARG A 5 13.569 -4.756 -0.043 1.00 1.30 H new ATOM 0 HD2 ARG A 5 13.132 -2.355 0.459 1.00 54.35 H new ATOM 0 HD3 ARG A 5 11.711 -3.189 -0.135 1.00 54.35 H new ATOM 0 HE ARG A 5 11.869 -3.196 2.780 1.00 2.32 H new ATOM 0 HH11 ARG A 5 10.915 -1.355 -0.077 1.00 11.21 H new ATOM 0 HH12 ARG A 5 9.727 -0.387 0.801 1.00 11.21 H new ATOM 0 HH21 ARG A 5 10.340 -1.949 3.901 1.00 53.12 H new ATOM 0 HH22 ARG A 5 9.403 -0.721 3.044 1.00 53.12 H new ATOM 87 N ILE A 6 11.174 -8.290 0.002 1.00 44.52 N ATOM 88 CA ILE A 6 10.754 -9.674 0.179 1.00 41.03 C ATOM 89 C ILE A 6 11.628 -10.387 1.205 1.00 63.03 C ATOM 90 O ILE A 6 11.165 -11.275 1.921 1.00 3.20 O ATOM 91 CB ILE A 6 10.803 -10.451 -1.150 1.00 23.42 C ATOM 92 CG1 ILE A 6 10.411 -9.540 -2.314 1.00 43.53 C ATOM 93 CG2 ILE A 6 9.887 -11.664 -1.088 1.00 71.20 C ATOM 94 CD1 ILE A 6 11.589 -8.844 -2.960 1.00 1.53 C ATOM 0 H ILE A 6 11.992 -8.171 -0.595 1.00 44.52 H new ATOM 0 HA ILE A 6 9.725 -9.648 0.538 1.00 41.03 H new ATOM 0 HB ILE A 6 11.823 -10.798 -1.313 1.00 23.42 H new ATOM 0 HG12 ILE A 6 9.890 -10.131 -3.068 1.00 43.53 H new ATOM 0 HG13 ILE A 6 9.707 -8.789 -1.956 1.00 43.53 H new ATOM 0 HG21 ILE A 6 9.932 -12.203 -2.034 1.00 71.20 H new ATOM 0 HG22 ILE A 6 10.208 -12.322 -0.280 1.00 71.20 H new ATOM 0 HG23 ILE A 6 8.863 -11.338 -0.905 1.00 71.20 H new ATOM 0 HD11 ILE A 6 11.236 -8.215 -3.777 1.00 1.53 H new ATOM 0 HD12 ILE A 6 12.097 -8.226 -2.220 1.00 1.53 H new ATOM 0 HD13 ILE A 6 12.283 -9.589 -3.349 1.00 1.53 H new ATOM 106 N VAL A 7 12.896 -9.991 1.272 1.00 75.34 N ATOM 107 CA VAL A 7 13.835 -10.590 2.212 1.00 31.22 C ATOM 108 C VAL A 7 14.891 -9.582 2.652 1.00 55.13 C ATOM 109 O VAL A 7 15.859 -9.310 1.942 1.00 70.23 O ATOM 110 CB VAL A 7 14.536 -11.817 1.600 1.00 22.43 C ATOM 111 CG1 VAL A 7 13.555 -12.969 1.440 1.00 10.41 C ATOM 112 CG2 VAL A 7 15.171 -11.457 0.266 1.00 60.44 C ATOM 0 H VAL A 7 13.296 -9.258 0.686 1.00 75.34 H new ATOM 0 HA VAL A 7 13.256 -10.907 3.079 1.00 31.22 H new ATOM 0 HB VAL A 7 15.327 -12.137 2.278 1.00 22.43 H new ATOM 0 HG11 VAL A 7 14.069 -13.827 1.006 1.00 10.41 H new ATOM 0 HG12 VAL A 7 13.153 -13.242 2.415 1.00 10.41 H new ATOM 0 HG13 VAL A 7 12.740 -12.664 0.784 1.00 10.41 H new ATOM 0 HG21 VAL A 7 15.662 -12.336 -0.152 1.00 60.44 H new ATOM 0 HG22 VAL A 7 14.400 -11.110 -0.422 1.00 60.44 H new ATOM 0 HG23 VAL A 7 15.907 -10.667 0.415 1.00 60.44 H new ATOM 122 N PRO A 8 14.702 -9.013 3.852 1.00 52.35 N ATOM 123 CA PRO A 8 15.628 -8.026 4.414 1.00 43.20 C ATOM 124 C PRO A 8 16.965 -8.644 4.809 1.00 70.44 C ATOM 125 O PRO A 8 17.077 -9.862 4.951 1.00 42.41 O ATOM 126 CB PRO A 8 14.890 -7.512 5.653 1.00 62.22 C ATOM 127 CG PRO A 8 13.976 -8.624 6.037 1.00 23.04 C ATOM 128 CD PRO A 8 13.570 -9.289 4.752 1.00 73.34 C ATOM 0 HA PRO A 8 15.877 -7.246 3.695 1.00 43.20 H new ATOM 0 HB2 PRO A 8 15.585 -7.275 6.458 1.00 62.22 H new ATOM 0 HB3 PRO A 8 14.334 -6.600 5.433 1.00 62.22 H new ATOM 0 HG2 PRO A 8 14.477 -9.329 6.700 1.00 23.04 H new ATOM 0 HG3 PRO A 8 13.105 -8.246 6.573 1.00 23.04 H new ATOM 0 HD2 PRO A 8 13.415 -10.360 4.885 1.00 73.34 H new ATOM 0 HD3 PRO A 8 12.638 -8.878 4.364 1.00 73.34 H new ATOM 136 N GLN A 9 17.975 -7.798 4.984 1.00 33.11 N ATOM 137 CA GLN A 9 19.304 -8.263 5.362 1.00 32.43 C ATOM 138 C GLN A 9 19.268 -8.974 6.711 1.00 4.14 C ATOM 139 O GLN A 9 18.239 -8.992 7.387 1.00 3.23 O ATOM 140 CB GLN A 9 20.282 -7.089 5.417 1.00 41.33 C ATOM 141 CG GLN A 9 19.958 -6.077 6.504 1.00 25.35 C ATOM 142 CD GLN A 9 20.889 -4.881 6.484 1.00 11.32 C ATOM 143 OE1 GLN A 9 21.921 -4.871 7.155 1.00 25.10 O ATOM 144 NE2 GLN A 9 20.528 -3.863 5.712 1.00 14.51 N ATOM 0 H GLN A 9 17.898 -6.787 4.870 1.00 33.11 H new ATOM 0 HA GLN A 9 19.642 -8.972 4.606 1.00 32.43 H new ATOM 0 HB2 GLN A 9 21.289 -7.473 5.579 1.00 41.33 H new ATOM 0 HB3 GLN A 9 20.285 -6.584 4.451 1.00 41.33 H new ATOM 0 HG2 GLN A 9 18.930 -5.735 6.382 1.00 25.35 H new ATOM 0 HG3 GLN A 9 20.018 -6.563 7.478 1.00 25.35 H new ATOM 0 HE21 GLN A 9 19.664 -3.914 5.172 1.00 14.51 H new ATOM 0 HE22 GLN A 9 21.115 -3.030 5.659 1.00 14.51 H new ATOM 153 N ILE A 10 20.398 -9.558 7.097 1.00 71.25 N ATOM 154 CA ILE A 10 20.496 -10.269 8.365 1.00 35.21 C ATOM 155 C ILE A 10 21.607 -9.691 9.235 1.00 33.41 C ATOM 156 O ILE A 10 22.768 -9.644 8.829 1.00 63.21 O ATOM 157 CB ILE A 10 20.756 -11.772 8.150 1.00 44.33 C ATOM 158 CG1 ILE A 10 21.902 -11.975 7.156 1.00 22.44 C ATOM 159 CG2 ILE A 10 19.493 -12.464 7.659 1.00 44.40 C ATOM 160 CD1 ILE A 10 22.204 -13.430 6.872 1.00 24.25 C ATOM 0 H ILE A 10 21.258 -9.552 6.549 1.00 71.25 H new ATOM 0 HA ILE A 10 19.539 -10.144 8.871 1.00 35.21 H new ATOM 0 HB ILE A 10 21.042 -12.217 9.103 1.00 44.33 H new ATOM 0 HG12 ILE A 10 21.654 -11.474 6.220 1.00 22.44 H new ATOM 0 HG13 ILE A 10 22.800 -11.495 7.546 1.00 22.44 H new ATOM 0 HG21 ILE A 10 19.693 -13.525 7.512 1.00 44.40 H new ATOM 0 HG22 ILE A 10 18.701 -12.343 8.398 1.00 44.40 H new ATOM 0 HG23 ILE A 10 19.178 -12.020 6.715 1.00 44.40 H new ATOM 0 HD11 ILE A 10 23.026 -13.499 6.160 1.00 24.25 H new ATOM 0 HD12 ILE A 10 22.484 -13.931 7.799 1.00 24.25 H new ATOM 0 HD13 ILE A 10 21.320 -13.910 6.453 1.00 24.25 H new ATOM 172 N THR A 11 21.243 -9.254 10.437 1.00 40.54 N ATOM 173 CA THR A 11 22.208 -8.679 11.365 1.00 25.43 C ATOM 174 C THR A 11 22.853 -9.760 12.226 1.00 15.35 C ATOM 175 O THR A 11 22.722 -10.951 11.945 1.00 30.11 O ATOM 176 CB THR A 11 21.551 -7.632 12.283 1.00 53.41 C ATOM 177 OG1 THR A 11 20.264 -7.269 11.769 1.00 3.20 O ATOM 178 CG2 THR A 11 22.424 -6.391 12.401 1.00 75.33 C ATOM 0 H THR A 11 20.287 -9.288 10.790 1.00 40.54 H new ATOM 0 HA THR A 11 22.974 -8.192 10.762 1.00 25.43 H new ATOM 0 HB THR A 11 21.436 -8.071 13.274 1.00 53.41 H new ATOM 0 HG1 THR A 11 19.852 -6.604 12.359 1.00 3.20 H new ATOM 0 HG21 THR A 11 21.939 -5.666 13.054 1.00 75.33 H new ATOM 0 HG22 THR A 11 23.392 -6.666 12.819 1.00 75.33 H new ATOM 0 HG23 THR A 11 22.567 -5.951 11.414 1.00 75.33 H new ATOM 186 N ASP A 12 23.547 -9.336 13.277 1.00 61.43 N ATOM 187 CA ASP A 12 24.210 -10.269 14.181 1.00 45.31 C ATOM 188 C ASP A 12 23.193 -11.164 14.881 1.00 72.12 C ATOM 189 O ASP A 12 23.534 -12.238 15.376 1.00 41.42 O ATOM 190 CB ASP A 12 25.036 -9.506 15.218 1.00 22.22 C ATOM 191 CG ASP A 12 26.243 -10.293 15.690 1.00 32.40 C ATOM 192 OD1 ASP A 12 26.063 -11.221 16.506 1.00 23.12 O ATOM 193 OD2 ASP A 12 27.367 -9.981 15.244 1.00 71.22 O ATOM 0 H ASP A 12 23.665 -8.353 13.524 1.00 61.43 H new ATOM 0 HA ASP A 12 24.875 -10.899 13.590 1.00 45.31 H new ATOM 0 HB2 ASP A 12 25.368 -8.560 14.790 1.00 22.22 H new ATOM 0 HB3 ASP A 12 24.406 -9.265 16.074 1.00 22.22 H new ATOM 198 N GLU A 13 21.943 -10.714 14.918 1.00 13.43 N ATOM 199 CA GLU A 13 20.876 -11.474 15.560 1.00 44.13 C ATOM 200 C GLU A 13 20.326 -12.540 14.617 1.00 35.00 C ATOM 201 O GLU A 13 19.859 -13.590 15.057 1.00 64.41 O ATOM 202 CB GLU A 13 19.750 -10.539 16.004 1.00 35.13 C ATOM 203 CG GLU A 13 20.241 -9.287 16.711 1.00 53.33 C ATOM 204 CD GLU A 13 19.116 -8.324 17.040 1.00 5.12 C ATOM 205 OE1 GLU A 13 18.000 -8.512 16.514 1.00 41.04 O ATOM 206 OE2 GLU A 13 19.354 -7.382 17.825 1.00 31.14 O ATOM 0 H GLU A 13 21.644 -9.828 14.511 1.00 13.43 H new ATOM 0 HA GLU A 13 21.293 -11.969 16.437 1.00 44.13 H new ATOM 0 HB2 GLU A 13 19.166 -10.248 15.131 1.00 35.13 H new ATOM 0 HB3 GLU A 13 19.079 -11.082 16.670 1.00 35.13 H new ATOM 0 HG2 GLU A 13 20.752 -9.571 17.631 1.00 53.33 H new ATOM 0 HG3 GLU A 13 20.974 -8.782 16.081 1.00 53.33 H new ATOM 213 N GLU A 14 20.383 -12.260 13.319 1.00 71.34 N ATOM 214 CA GLU A 14 19.888 -13.195 12.314 1.00 4.41 C ATOM 215 C GLU A 14 21.004 -14.119 11.835 1.00 31.45 C ATOM 216 O GLU A 14 20.771 -15.293 11.546 1.00 21.45 O ATOM 217 CB GLU A 14 19.296 -12.434 11.126 1.00 64.12 C ATOM 218 CG GLU A 14 18.095 -11.577 11.489 1.00 62.22 C ATOM 219 CD GLU A 14 16.937 -12.394 12.027 1.00 30.52 C ATOM 220 OE1 GLU A 14 16.359 -13.186 11.254 1.00 34.10 O ATOM 221 OE2 GLU A 14 16.609 -12.242 13.223 1.00 63.12 O ATOM 0 H GLU A 14 20.766 -11.395 12.938 1.00 71.34 H new ATOM 0 HA GLU A 14 19.108 -13.803 12.772 1.00 4.41 H new ATOM 0 HB2 GLU A 14 20.068 -11.798 10.692 1.00 64.12 H new ATOM 0 HB3 GLU A 14 19.002 -13.149 10.357 1.00 64.12 H new ATOM 0 HG2 GLU A 14 18.392 -10.839 12.235 1.00 62.22 H new ATOM 0 HG3 GLU A 14 17.767 -11.025 10.608 1.00 62.22 H new ATOM 228 N PHE A 15 22.216 -13.581 11.754 1.00 62.44 N ATOM 229 CA PHE A 15 23.368 -14.357 11.309 1.00 43.35 C ATOM 230 C PHE A 15 23.777 -15.379 12.365 1.00 32.01 C ATOM 231 O PHE A 15 24.220 -16.481 12.041 1.00 31.11 O ATOM 232 CB PHE A 15 24.545 -13.429 10.998 1.00 30.22 C ATOM 233 CG PHE A 15 25.871 -14.134 10.961 1.00 75.50 C ATOM 234 CD1 PHE A 15 26.612 -14.305 12.119 1.00 44.32 C ATOM 235 CD2 PHE A 15 26.375 -14.628 9.768 1.00 14.34 C ATOM 236 CE1 PHE A 15 27.833 -14.953 12.087 1.00 12.50 C ATOM 237 CE2 PHE A 15 27.594 -15.277 9.730 1.00 3.15 C ATOM 238 CZ PHE A 15 28.324 -15.440 10.892 1.00 72.33 C ATOM 0 H PHE A 15 22.426 -12.611 11.990 1.00 62.44 H new ATOM 0 HA PHE A 15 23.086 -14.892 10.402 1.00 43.35 H new ATOM 0 HB2 PHE A 15 24.372 -12.946 10.036 1.00 30.22 H new ATOM 0 HB3 PHE A 15 24.583 -12.640 11.749 1.00 30.22 H new ATOM 0 HD1 PHE A 15 26.232 -13.928 13.057 1.00 44.32 H new ATOM 0 HD2 PHE A 15 25.808 -14.504 8.857 1.00 14.34 H new ATOM 0 HE1 PHE A 15 28.402 -15.078 12.996 1.00 12.50 H new ATOM 0 HE2 PHE A 15 27.976 -15.656 8.794 1.00 3.15 H new ATOM 0 HZ PHE A 15 29.277 -15.947 10.865 1.00 72.33 H new ATOM 248 N LYS A 16 23.625 -15.005 13.631 1.00 21.31 N ATOM 249 CA LYS A 16 23.977 -15.888 14.737 1.00 12.33 C ATOM 250 C LYS A 16 23.026 -17.078 14.807 1.00 72.30 C ATOM 251 O LYS A 16 23.270 -18.040 15.537 1.00 15.53 O ATOM 252 CB LYS A 16 23.946 -15.119 16.060 1.00 53.41 C ATOM 253 CG LYS A 16 22.547 -14.726 16.503 1.00 72.32 C ATOM 254 CD LYS A 16 22.549 -14.145 17.907 1.00 73.32 C ATOM 255 CE LYS A 16 21.156 -14.158 18.517 1.00 34.22 C ATOM 256 NZ LYS A 16 20.753 -15.525 18.951 1.00 11.54 N ATOM 0 H LYS A 16 23.260 -14.096 13.917 1.00 21.31 H new ATOM 0 HA LYS A 16 24.986 -16.261 14.564 1.00 12.33 H new ATOM 0 HB2 LYS A 16 24.406 -15.730 16.837 1.00 53.41 H new ATOM 0 HB3 LYS A 16 24.553 -14.219 15.962 1.00 53.41 H new ATOM 0 HG2 LYS A 16 22.136 -13.995 15.807 1.00 72.32 H new ATOM 0 HG3 LYS A 16 21.895 -15.599 16.471 1.00 72.32 H new ATOM 0 HD2 LYS A 16 23.229 -14.717 18.538 1.00 73.32 H new ATOM 0 HD3 LYS A 16 22.925 -13.122 17.878 1.00 73.32 H new ATOM 0 HE2 LYS A 16 21.128 -13.482 19.372 1.00 34.22 H new ATOM 0 HE3 LYS A 16 20.437 -13.781 17.789 1.00 34.22 H new ATOM 0 HZ1 LYS A 16 19.878 -15.468 19.510 1.00 11.54 H new ATOM 0 HZ2 LYS A 16 20.591 -16.121 18.114 1.00 11.54 H new ATOM 0 HZ3 LYS A 16 21.508 -15.942 19.532 1.00 11.54 H new ATOM 270 N THR A 17 21.941 -17.009 14.041 1.00 20.34 N ATOM 271 CA THR A 17 20.954 -18.081 14.016 1.00 31.12 C ATOM 272 C THR A 17 21.443 -19.260 13.183 1.00 43.25 C ATOM 273 O THR A 17 20.831 -20.328 13.182 1.00 72.14 O ATOM 274 CB THR A 17 19.607 -17.591 13.451 1.00 22.42 C ATOM 275 OG1 THR A 17 19.655 -17.569 12.020 1.00 4.32 O ATOM 276 CG2 THR A 17 19.274 -16.203 13.975 1.00 53.55 C ATOM 0 H THR A 17 21.724 -16.222 13.430 1.00 20.34 H new ATOM 0 HA THR A 17 20.812 -18.403 15.047 1.00 31.12 H new ATOM 0 HB THR A 17 18.828 -18.281 13.777 1.00 22.42 H new ATOM 0 HG1 THR A 17 19.806 -16.651 11.712 1.00 4.32 H new ATOM 0 HG21 THR A 17 18.319 -15.878 13.563 1.00 53.55 H new ATOM 0 HG22 THR A 17 19.209 -16.231 15.063 1.00 53.55 H new ATOM 0 HG23 THR A 17 20.055 -15.504 13.676 1.00 53.55 H new ATOM 284 N ILE A 18 22.550 -19.059 12.475 1.00 30.11 N ATOM 285 CA ILE A 18 23.122 -20.107 11.639 1.00 51.13 C ATOM 286 C ILE A 18 24.380 -20.690 12.272 1.00 23.43 C ATOM 287 O ILE A 18 25.296 -19.970 12.672 1.00 75.24 O ATOM 288 CB ILE A 18 23.466 -19.580 10.233 1.00 75.32 C ATOM 289 CG1 ILE A 18 22.206 -19.058 9.538 1.00 3.44 C ATOM 290 CG2 ILE A 18 24.119 -20.675 9.402 1.00 3.35 C ATOM 291 CD1 ILE A 18 22.273 -17.586 9.193 1.00 22.41 C ATOM 0 H ILE A 18 23.068 -18.180 12.464 1.00 30.11 H new ATOM 0 HA ILE A 18 22.367 -20.888 11.551 1.00 51.13 H new ATOM 0 HB ILE A 18 24.172 -18.756 10.333 1.00 75.32 H new ATOM 0 HG12 ILE A 18 22.041 -19.630 8.625 1.00 3.44 H new ATOM 0 HG13 ILE A 18 21.345 -19.233 10.184 1.00 3.44 H new ATOM 0 HG21 ILE A 18 24.356 -20.287 8.411 1.00 3.35 H new ATOM 0 HG22 ILE A 18 25.035 -21.006 9.891 1.00 3.35 H new ATOM 0 HG23 ILE A 18 23.434 -21.518 9.307 1.00 3.35 H new ATOM 0 HD11 ILE A 18 21.347 -17.285 8.703 1.00 22.41 H new ATOM 0 HD12 ILE A 18 22.407 -17.004 10.105 1.00 22.41 H new ATOM 0 HD13 ILE A 18 23.113 -17.407 8.522 1.00 22.41 H new ATOM 303 N PRO A 19 24.430 -22.028 12.366 1.00 0.51 N ATOM 304 CA PRO A 19 25.572 -22.738 12.948 1.00 24.30 C ATOM 305 C PRO A 19 26.815 -22.656 12.069 1.00 45.22 C ATOM 306 O PRO A 19 26.719 -22.590 10.843 1.00 13.42 O ATOM 307 CB PRO A 19 25.079 -24.184 13.043 1.00 65.42 C ATOM 308 CG PRO A 19 24.034 -24.298 11.988 1.00 73.10 C ATOM 309 CD PRO A 19 23.375 -22.948 11.911 1.00 61.53 C ATOM 0 HA PRO A 19 25.872 -22.311 13.905 1.00 24.30 H new ATOM 0 HB2 PRO A 19 25.891 -24.891 12.874 1.00 65.42 H new ATOM 0 HB3 PRO A 19 24.670 -24.399 14.030 1.00 65.42 H new ATOM 0 HG2 PRO A 19 24.475 -24.572 11.030 1.00 73.10 H new ATOM 0 HG3 PRO A 19 23.309 -25.073 12.239 1.00 73.10 H new ATOM 0 HD2 PRO A 19 23.050 -22.717 10.897 1.00 61.53 H new ATOM 0 HD3 PRO A 19 22.493 -22.894 12.549 1.00 61.53 H new ATOM 317 N LYS A 20 27.984 -22.661 12.702 1.00 53.31 N ATOM 318 CA LYS A 20 29.247 -22.588 11.978 1.00 62.22 C ATOM 319 C LYS A 20 29.360 -23.724 10.966 1.00 42.22 C ATOM 320 O LYS A 20 30.090 -23.619 9.980 1.00 62.12 O ATOM 321 CB LYS A 20 30.423 -22.644 12.956 1.00 50.42 C ATOM 322 CG LYS A 20 30.442 -23.897 13.814 1.00 41.14 C ATOM 323 CD LYS A 20 31.222 -23.681 15.099 1.00 4.34 C ATOM 324 CE LYS A 20 32.722 -23.787 14.866 1.00 14.32 C ATOM 325 NZ LYS A 20 33.474 -23.917 16.145 1.00 40.43 N ATOM 0 H LYS A 20 28.082 -22.715 13.716 1.00 53.31 H new ATOM 0 HA LYS A 20 29.274 -21.641 11.440 1.00 62.22 H new ATOM 0 HB2 LYS A 20 31.355 -22.585 12.394 1.00 50.42 H new ATOM 0 HB3 LYS A 20 30.386 -21.770 13.606 1.00 50.42 H new ATOM 0 HG2 LYS A 20 29.420 -24.191 14.053 1.00 41.14 H new ATOM 0 HG3 LYS A 20 30.887 -24.718 13.251 1.00 41.14 H new ATOM 0 HD2 LYS A 20 30.985 -22.699 15.509 1.00 4.34 H new ATOM 0 HD3 LYS A 20 30.915 -24.419 15.840 1.00 4.34 H new ATOM 0 HE2 LYS A 20 32.931 -24.649 14.232 1.00 14.32 H new ATOM 0 HE3 LYS A 20 33.069 -22.905 14.329 1.00 14.32 H new ATOM 0 HZ1 LYS A 20 34.492 -23.987 15.944 1.00 40.43 H new ATOM 0 HZ2 LYS A 20 33.295 -23.083 16.739 1.00 40.43 H new ATOM 0 HZ3 LYS A 20 33.161 -24.773 16.646 1.00 40.43 H new ATOM 339 N TYR A 21 28.633 -24.807 11.215 1.00 11.13 N ATOM 340 CA TYR A 21 28.653 -25.962 10.326 1.00 35.31 C ATOM 341 C TYR A 21 28.121 -25.595 8.944 1.00 64.02 C ATOM 342 O TYR A 21 28.427 -26.259 7.954 1.00 72.22 O ATOM 343 CB TYR A 21 27.821 -27.102 10.918 1.00 43.22 C ATOM 344 CG TYR A 21 28.165 -27.419 12.356 1.00 64.04 C ATOM 345 CD1 TYR A 21 29.428 -27.885 12.701 1.00 32.55 C ATOM 346 CD2 TYR A 21 27.228 -27.253 13.368 1.00 63.42 C ATOM 347 CE1 TYR A 21 29.747 -28.177 14.014 1.00 73.34 C ATOM 348 CE2 TYR A 21 27.539 -27.541 14.683 1.00 72.33 C ATOM 349 CZ TYR A 21 28.799 -28.003 15.001 1.00 60.14 C ATOM 350 OH TYR A 21 29.112 -28.292 16.309 1.00 32.31 O ATOM 0 H TYR A 21 28.022 -24.909 12.025 1.00 11.13 H new ATOM 0 HA TYR A 21 29.687 -26.291 10.222 1.00 35.31 H new ATOM 0 HB2 TYR A 21 26.765 -26.840 10.855 1.00 43.22 H new ATOM 0 HB3 TYR A 21 27.964 -27.997 10.313 1.00 43.22 H new ATOM 0 HD1 TYR A 21 30.173 -28.021 11.931 1.00 32.55 H new ATOM 0 HD2 TYR A 21 26.240 -26.893 13.123 1.00 63.42 H new ATOM 0 HE1 TYR A 21 30.733 -28.539 14.266 1.00 73.34 H new ATOM 0 HE2 TYR A 21 26.799 -27.405 15.458 1.00 72.33 H new ATOM 0 HH TYR A 21 28.334 -28.114 16.878 1.00 32.31 H new ATOM 360 N GLN A 22 27.325 -24.532 8.886 1.00 24.32 N ATOM 361 CA GLN A 22 26.751 -24.076 7.626 1.00 43.11 C ATOM 362 C GLN A 22 27.543 -22.901 7.061 1.00 13.11 C ATOM 363 O GLN A 22 27.739 -22.796 5.850 1.00 64.13 O ATOM 364 CB GLN A 22 25.289 -23.673 7.823 1.00 31.25 C ATOM 365 CG GLN A 22 24.436 -24.765 8.449 1.00 24.23 C ATOM 366 CD GLN A 22 23.966 -25.791 7.437 1.00 41.22 C ATOM 367 OE1 GLN A 22 24.735 -26.650 7.003 1.00 15.14 O ATOM 368 NE2 GLN A 22 22.697 -25.706 7.054 1.00 65.42 N ATOM 0 H GLN A 22 27.063 -23.971 9.697 1.00 24.32 H new ATOM 0 HA GLN A 22 26.800 -24.900 6.914 1.00 43.11 H new ATOM 0 HB2 GLN A 22 25.247 -22.785 8.453 1.00 31.25 H new ATOM 0 HB3 GLN A 22 24.863 -23.399 6.858 1.00 31.25 H new ATOM 0 HG2 GLN A 22 25.009 -25.266 9.229 1.00 24.23 H new ATOM 0 HG3 GLN A 22 23.569 -24.312 8.931 1.00 24.23 H new ATOM 0 HE21 GLN A 22 22.096 -24.978 7.440 1.00 65.42 H new ATOM 0 HE22 GLN A 22 22.324 -26.369 6.374 1.00 65.42 H new ATOM 377 N LEU A 23 27.994 -22.019 7.946 1.00 43.44 N ATOM 378 CA LEU A 23 28.765 -20.850 7.535 1.00 13.33 C ATOM 379 C LEU A 23 30.153 -21.255 7.052 1.00 63.14 C ATOM 380 O LEU A 23 30.569 -20.894 5.951 1.00 14.24 O ATOM 381 CB LEU A 23 28.885 -19.861 8.696 1.00 1.31 C ATOM 382 CG LEU A 23 27.609 -19.612 9.501 1.00 50.42 C ATOM 383 CD1 LEU A 23 27.926 -18.865 10.787 1.00 42.51 C ATOM 384 CD2 LEU A 23 26.596 -18.839 8.669 1.00 42.53 C ATOM 0 H LEU A 23 27.840 -22.090 8.952 1.00 43.44 H new ATOM 0 HA LEU A 23 28.239 -20.371 6.709 1.00 13.33 H new ATOM 0 HB2 LEU A 23 29.655 -20.223 9.377 1.00 1.31 H new ATOM 0 HB3 LEU A 23 29.233 -18.907 8.300 1.00 1.31 H new ATOM 0 HG LEU A 23 27.174 -20.576 9.763 1.00 50.42 H new ATOM 0 HD11 LEU A 23 27.006 -18.697 11.346 1.00 42.51 H new ATOM 0 HD12 LEU A 23 28.615 -19.456 11.391 1.00 42.51 H new ATOM 0 HD13 LEU A 23 28.385 -17.906 10.547 1.00 42.51 H new ATOM 0 HD21 LEU A 23 25.694 -18.671 9.258 1.00 42.53 H new ATOM 0 HD22 LEU A 23 27.022 -17.880 8.376 1.00 42.53 H new ATOM 0 HD23 LEU A 23 26.345 -19.412 7.777 1.00 42.53 H new ATOM 396 N GLY A 24 30.867 -22.010 7.882 1.00 74.44 N ATOM 397 CA GLY A 24 32.200 -22.454 7.520 1.00 60.51 C ATOM 398 C GLY A 24 33.181 -21.305 7.401 1.00 64.44 C ATOM 399 O GLY A 24 33.844 -20.943 8.373 1.00 41.23 O ATOM 0 H GLY A 24 30.546 -22.322 8.798 1.00 74.44 H new ATOM 0 HA2 GLY A 24 32.560 -23.159 8.269 1.00 60.51 H new ATOM 0 HA3 GLY A 24 32.156 -22.990 6.572 1.00 60.51 H new ATOM 403 N ARG A 25 33.276 -20.732 6.205 1.00 2.04 N ATOM 404 CA ARG A 25 34.186 -19.619 5.962 1.00 61.20 C ATOM 405 C ARG A 25 33.415 -18.364 5.564 1.00 45.22 C ATOM 406 O ARG A 25 33.959 -17.468 4.917 1.00 41.41 O ATOM 407 CB ARG A 25 35.190 -19.984 4.866 1.00 14.53 C ATOM 408 CG ARG A 25 36.546 -19.319 5.037 1.00 53.42 C ATOM 409 CD ARG A 25 37.329 -19.937 6.184 1.00 21.11 C ATOM 410 NE ARG A 25 37.976 -21.187 5.794 1.00 45.32 N ATOM 411 CZ ARG A 25 38.837 -21.841 6.566 1.00 43.43 C ATOM 412 NH1 ARG A 25 39.152 -21.366 7.763 1.00 22.21 N ATOM 413 NH2 ARG A 25 39.385 -22.972 6.140 1.00 32.04 N ATOM 0 H ARG A 25 32.734 -21.020 5.390 1.00 2.04 H new ATOM 0 HA ARG A 25 34.726 -19.414 6.886 1.00 61.20 H new ATOM 0 HB2 ARG A 25 35.324 -21.066 4.853 1.00 14.53 H new ATOM 0 HB3 ARG A 25 34.776 -19.703 3.898 1.00 14.53 H new ATOM 0 HG2 ARG A 25 37.117 -19.412 4.113 1.00 53.42 H new ATOM 0 HG3 ARG A 25 36.409 -18.253 5.221 1.00 53.42 H new ATOM 0 HD2 ARG A 25 38.084 -19.231 6.530 1.00 21.11 H new ATOM 0 HD3 ARG A 25 36.658 -20.122 7.023 1.00 21.11 H new ATOM 0 HE ARG A 25 37.755 -21.579 4.879 1.00 45.32 H new ATOM 0 HH11 ARG A 25 38.733 -20.497 8.093 1.00 22.21 H new ATOM 0 HH12 ARG A 25 39.813 -21.870 8.354 1.00 22.21 H new ATOM 0 HH21 ARG A 25 39.145 -23.340 5.219 1.00 32.04 H new ATOM 0 HH22 ARG A 25 40.046 -23.474 6.733 1.00 32.04 H new ATOM 427 N LEU A 26 32.147 -18.306 5.954 1.00 71.22 N ATOM 428 CA LEU A 26 31.301 -17.161 5.637 1.00 15.15 C ATOM 429 C LEU A 26 31.277 -16.166 6.793 1.00 15.13 C ATOM 430 O LEU A 26 31.683 -16.485 7.911 1.00 21.21 O ATOM 431 CB LEU A 26 29.878 -17.625 5.320 1.00 61.32 C ATOM 432 CG LEU A 26 29.531 -17.759 3.837 1.00 63.35 C ATOM 433 CD1 LEU A 26 28.929 -19.126 3.550 1.00 31.15 C ATOM 434 CD2 LEU A 26 28.577 -16.654 3.410 1.00 15.21 C ATOM 0 H LEU A 26 31.682 -19.038 6.490 1.00 71.22 H new ATOM 0 HA LEU A 26 31.718 -16.664 4.761 1.00 15.15 H new ATOM 0 HB2 LEU A 26 29.717 -18.591 5.799 1.00 61.32 H new ATOM 0 HB3 LEU A 26 29.179 -16.923 5.774 1.00 61.32 H new ATOM 0 HG LEU A 26 30.450 -17.661 3.259 1.00 63.35 H new ATOM 0 HD11 LEU A 26 28.689 -19.202 2.490 1.00 31.15 H new ATOM 0 HD12 LEU A 26 29.646 -19.903 3.816 1.00 31.15 H new ATOM 0 HD13 LEU A 26 28.020 -19.254 4.138 1.00 31.15 H new ATOM 0 HD21 LEU A 26 28.341 -16.766 2.352 1.00 15.21 H new ATOM 0 HD22 LEU A 26 27.660 -16.719 3.995 1.00 15.21 H new ATOM 0 HD23 LEU A 26 29.046 -15.684 3.577 1.00 15.21 H new ATOM 446 N THR A 27 30.795 -14.958 6.517 1.00 2.45 N ATOM 447 CA THR A 27 30.717 -13.916 7.534 1.00 53.13 C ATOM 448 C THR A 27 29.467 -13.063 7.351 1.00 13.21 C ATOM 449 O THR A 27 28.853 -13.062 6.283 1.00 65.12 O ATOM 450 CB THR A 27 31.957 -13.003 7.499 1.00 30.03 C ATOM 451 OG1 THR A 27 32.554 -13.036 6.198 1.00 32.21 O ATOM 452 CG2 THR A 27 32.977 -13.436 8.542 1.00 73.23 C ATOM 0 H THR A 27 30.453 -14.677 5.598 1.00 2.45 H new ATOM 0 HA THR A 27 30.673 -14.419 8.500 1.00 53.13 H new ATOM 0 HB THR A 27 31.638 -11.986 7.726 1.00 30.03 H new ATOM 0 HG1 THR A 27 33.341 -12.452 6.184 1.00 32.21 H new ATOM 0 HG21 THR A 27 33.844 -12.777 8.499 1.00 73.23 H new ATOM 0 HG22 THR A 27 32.529 -13.381 9.534 1.00 73.23 H new ATOM 0 HG23 THR A 27 33.290 -14.461 8.341 1.00 73.23 H new ATOM 460 N LEU A 28 29.094 -12.337 8.399 1.00 14.31 N ATOM 461 CA LEU A 28 27.916 -11.477 8.354 1.00 34.31 C ATOM 462 C LEU A 28 27.949 -10.571 7.128 1.00 43.03 C ATOM 463 O LEU A 28 26.929 -10.358 6.474 1.00 12.42 O ATOM 464 CB LEU A 28 27.828 -10.631 9.625 1.00 24.14 C ATOM 465 CG LEU A 28 26.473 -10.621 10.334 1.00 63.44 C ATOM 466 CD1 LEU A 28 26.655 -10.778 11.835 1.00 34.43 C ATOM 467 CD2 LEU A 28 25.715 -9.340 10.017 1.00 24.31 C ATOM 0 H LEU A 28 29.590 -12.326 9.290 1.00 14.31 H new ATOM 0 HA LEU A 28 27.034 -12.115 8.288 1.00 34.31 H new ATOM 0 HB2 LEU A 28 28.580 -10.989 10.328 1.00 24.14 H new ATOM 0 HB3 LEU A 28 28.091 -9.604 9.372 1.00 24.14 H new ATOM 0 HG LEU A 28 25.887 -11.465 9.970 1.00 63.44 H new ATOM 0 HD11 LEU A 28 25.680 -10.769 12.323 1.00 34.43 H new ATOM 0 HD12 LEU A 28 27.156 -11.723 12.044 1.00 34.43 H new ATOM 0 HD13 LEU A 28 27.259 -9.955 12.216 1.00 34.43 H new ATOM 0 HD21 LEU A 28 24.753 -9.350 10.530 1.00 24.31 H new ATOM 0 HD22 LEU A 28 26.296 -8.481 10.352 1.00 24.31 H new ATOM 0 HD23 LEU A 28 25.552 -9.270 8.942 1.00 24.31 H new ATOM 479 N GLU A 29 29.130 -10.043 6.821 1.00 50.51 N ATOM 480 CA GLU A 29 29.296 -9.160 5.672 1.00 71.43 C ATOM 481 C GLU A 29 28.963 -9.890 4.373 1.00 13.24 C ATOM 482 O GLU A 29 28.316 -9.335 3.486 1.00 52.32 O ATOM 483 CB GLU A 29 30.728 -8.624 5.615 1.00 13.11 C ATOM 484 CG GLU A 29 31.000 -7.741 4.409 1.00 74.14 C ATOM 485 CD GLU A 29 31.366 -6.321 4.795 1.00 23.53 C ATOM 486 OE1 GLU A 29 32.287 -6.150 5.621 1.00 11.12 O ATOM 487 OE2 GLU A 29 30.732 -5.382 4.271 1.00 42.10 O ATOM 0 H GLU A 29 29.985 -10.211 7.351 1.00 50.51 H new ATOM 0 HA GLU A 29 28.607 -8.323 5.786 1.00 71.43 H new ATOM 0 HB2 GLU A 29 30.931 -8.057 6.523 1.00 13.11 H new ATOM 0 HB3 GLU A 29 31.421 -9.465 5.603 1.00 13.11 H new ATOM 0 HG2 GLU A 29 31.810 -8.174 3.822 1.00 74.14 H new ATOM 0 HG3 GLU A 29 30.117 -7.724 3.770 1.00 74.14 H new ATOM 494 N MET A 30 29.410 -11.137 4.271 1.00 61.03 N ATOM 495 CA MET A 30 29.159 -11.943 3.082 1.00 62.05 C ATOM 496 C MET A 30 27.663 -12.156 2.875 1.00 51.22 C ATOM 497 O MET A 30 27.158 -12.036 1.759 1.00 62.31 O ATOM 498 CB MET A 30 29.867 -13.294 3.196 1.00 23.35 C ATOM 499 CG MET A 30 31.382 -13.194 3.126 1.00 25.34 C ATOM 500 SD MET A 30 32.167 -14.778 2.772 1.00 25.54 S ATOM 501 CE MET A 30 33.895 -14.307 2.769 1.00 4.12 C ATOM 0 H MET A 30 29.948 -11.611 4.997 1.00 61.03 H new ATOM 0 HA MET A 30 29.554 -11.406 2.220 1.00 62.05 H new ATOM 0 HB2 MET A 30 29.585 -13.764 4.138 1.00 23.35 H new ATOM 0 HB3 MET A 30 29.517 -13.947 2.397 1.00 23.35 H new ATOM 0 HG2 MET A 30 31.660 -12.475 2.355 1.00 25.34 H new ATOM 0 HG3 MET A 30 31.761 -12.809 4.073 1.00 25.34 H new ATOM 0 HE1 MET A 30 34.510 -15.183 2.563 1.00 4.12 H new ATOM 0 HE2 MET A 30 34.066 -13.555 1.999 1.00 4.12 H new ATOM 0 HE3 MET A 30 34.162 -13.897 3.743 1.00 4.12 H new ATOM 511 N MET A 31 26.960 -12.472 3.957 1.00 14.13 N ATOM 512 CA MET A 31 25.521 -12.700 3.893 1.00 33.44 C ATOM 513 C MET A 31 24.765 -11.380 3.776 1.00 24.35 C ATOM 514 O MET A 31 23.727 -11.305 3.121 1.00 42.21 O ATOM 515 CB MET A 31 25.048 -13.464 5.132 1.00 4.43 C ATOM 516 CG MET A 31 25.700 -14.828 5.291 1.00 42.31 C ATOM 517 SD MET A 31 24.945 -15.810 6.600 1.00 31.44 S ATOM 518 CE MET A 31 23.490 -16.433 5.761 1.00 43.53 C ATOM 0 H MET A 31 27.363 -12.576 4.888 1.00 14.13 H new ATOM 0 HA MET A 31 25.313 -13.297 3.005 1.00 33.44 H new ATOM 0 HB2 MET A 31 25.256 -12.866 6.019 1.00 4.43 H new ATOM 0 HB3 MET A 31 23.967 -13.591 5.079 1.00 4.43 H new ATOM 0 HG2 MET A 31 25.631 -15.371 4.349 1.00 42.31 H new ATOM 0 HG3 MET A 31 26.760 -14.697 5.506 1.00 42.31 H new ATOM 0 HE1 MET A 31 22.945 -17.103 6.426 1.00 43.53 H new ATOM 0 HE2 MET A 31 22.847 -15.599 5.480 1.00 43.53 H new ATOM 0 HE3 MET A 31 23.791 -16.977 4.865 1.00 43.53 H new ATOM 528 N ASN A 32 25.294 -10.342 4.417 1.00 72.51 N ATOM 529 CA ASN A 32 24.668 -9.025 4.385 1.00 63.41 C ATOM 530 C ASN A 32 24.523 -8.527 2.950 1.00 35.13 C ATOM 531 O ASN A 32 23.504 -7.940 2.588 1.00 73.02 O ATOM 532 CB ASN A 32 25.491 -8.027 5.202 1.00 33.23 C ATOM 533 CG ASN A 32 24.921 -6.623 5.143 1.00 31.11 C ATOM 534 OD1 ASN A 32 25.560 -5.703 4.633 1.00 50.13 O ATOM 535 ND2 ASN A 32 23.713 -6.453 5.667 1.00 54.51 N ATOM 0 H ASN A 32 26.154 -10.388 4.964 1.00 72.51 H new ATOM 0 HA ASN A 32 23.674 -9.111 4.823 1.00 63.41 H new ATOM 0 HB2 ASN A 32 25.531 -8.357 6.240 1.00 33.23 H new ATOM 0 HB3 ASN A 32 26.516 -8.016 4.831 1.00 33.23 H new ATOM 0 HD21 ASN A 32 23.278 -5.530 5.657 1.00 54.51 H new ATOM 0 HD22 ASN A 32 23.220 -7.245 6.079 1.00 54.51 H new ATOM 542 N GLU A 33 25.548 -8.767 2.139 1.00 3.53 N ATOM 543 CA GLU A 33 25.534 -8.342 0.744 1.00 12.45 C ATOM 544 C GLU A 33 24.743 -9.323 -0.115 1.00 72.42 C ATOM 545 O GLU A 33 24.064 -8.927 -1.063 1.00 33.21 O ATOM 546 CB GLU A 33 26.963 -8.216 0.211 1.00 34.45 C ATOM 547 CG GLU A 33 27.780 -9.489 0.356 1.00 71.11 C ATOM 548 CD GLU A 33 29.257 -9.267 0.095 1.00 50.22 C ATOM 549 OE1 GLU A 33 29.606 -8.859 -1.033 1.00 11.14 O ATOM 550 OE2 GLU A 33 30.064 -9.501 1.019 1.00 51.31 O ATOM 0 H GLU A 33 26.398 -9.253 2.423 1.00 3.53 H new ATOM 0 HA GLU A 33 25.048 -7.367 0.693 1.00 12.45 H new ATOM 0 HB2 GLU A 33 26.926 -7.936 -0.842 1.00 34.45 H new ATOM 0 HB3 GLU A 33 27.469 -7.407 0.739 1.00 34.45 H new ATOM 0 HG2 GLU A 33 27.649 -9.888 1.362 1.00 71.11 H new ATOM 0 HG3 GLU A 33 27.401 -10.240 -0.337 1.00 71.11 H new ATOM 557 N ILE A 34 24.837 -10.605 0.222 1.00 32.14 N ATOM 558 CA ILE A 34 24.130 -11.643 -0.518 1.00 22.25 C ATOM 559 C ILE A 34 22.620 -11.480 -0.386 1.00 73.45 C ATOM 560 O ILE A 34 21.889 -11.553 -1.374 1.00 75.03 O ATOM 561 CB ILE A 34 24.528 -13.050 -0.032 1.00 54.13 C ATOM 562 CG1 ILE A 34 25.952 -13.384 -0.479 1.00 43.23 C ATOM 563 CG2 ILE A 34 23.546 -14.088 -0.555 1.00 54.44 C ATOM 564 CD1 ILE A 34 26.596 -14.488 0.330 1.00 43.14 C ATOM 0 H ILE A 34 25.396 -10.950 1.003 1.00 32.14 H new ATOM 0 HA ILE A 34 24.414 -11.535 -1.565 1.00 22.25 H new ATOM 0 HB ILE A 34 24.497 -13.064 1.057 1.00 54.13 H new ATOM 0 HG12 ILE A 34 25.935 -13.676 -1.529 1.00 43.23 H new ATOM 0 HG13 ILE A 34 26.566 -12.487 -0.408 1.00 43.23 H new ATOM 0 HG21 ILE A 34 23.840 -15.077 -0.203 1.00 54.44 H new ATOM 0 HG22 ILE A 34 22.545 -13.857 -0.192 1.00 54.44 H new ATOM 0 HG23 ILE A 34 23.549 -14.075 -1.645 1.00 54.44 H new ATOM 0 HD11 ILE A 34 27.604 -14.672 -0.042 1.00 43.14 H new ATOM 0 HD12 ILE A 34 26.645 -14.190 1.377 1.00 43.14 H new ATOM 0 HD13 ILE A 34 26.004 -15.399 0.239 1.00 43.14 H new ATOM 576 N VAL A 35 22.158 -11.258 0.840 1.00 1.21 N ATOM 577 CA VAL A 35 20.735 -11.081 1.101 1.00 74.22 C ATOM 578 C VAL A 35 20.258 -9.708 0.641 1.00 11.15 C ATOM 579 O VAL A 35 19.094 -9.532 0.281 1.00 2.10 O ATOM 580 CB VAL A 35 20.413 -11.250 2.598 1.00 40.13 C ATOM 581 CG1 VAL A 35 18.910 -11.327 2.816 1.00 54.53 C ATOM 582 CG2 VAL A 35 21.104 -12.485 3.155 1.00 65.12 C ATOM 0 H VAL A 35 22.749 -11.196 1.669 1.00 1.21 H new ATOM 0 HA VAL A 35 20.212 -11.852 0.536 1.00 74.22 H new ATOM 0 HB VAL A 35 20.789 -10.378 3.133 1.00 40.13 H new ATOM 0 HG11 VAL A 35 18.702 -11.446 3.879 1.00 54.53 H new ATOM 0 HG12 VAL A 35 18.443 -10.411 2.456 1.00 54.53 H new ATOM 0 HG13 VAL A 35 18.506 -12.179 2.270 1.00 54.53 H new ATOM 0 HG21 VAL A 35 20.866 -12.589 4.214 1.00 65.12 H new ATOM 0 HG22 VAL A 35 20.760 -13.368 2.617 1.00 65.12 H new ATOM 0 HG23 VAL A 35 22.183 -12.384 3.034 1.00 65.12 H new ATOM 592 N SER A 36 21.166 -8.737 0.657 1.00 54.04 N ATOM 593 CA SER A 36 20.837 -7.377 0.245 1.00 63.24 C ATOM 594 C SER A 36 20.657 -7.297 -1.268 1.00 54.32 C ATOM 595 O SER A 36 19.633 -6.820 -1.759 1.00 11.11 O ATOM 596 CB SER A 36 21.933 -6.408 0.691 1.00 45.21 C ATOM 597 OG SER A 36 21.968 -5.260 -0.139 1.00 51.30 O ATOM 0 H SER A 36 22.134 -8.867 0.951 1.00 54.04 H new ATOM 0 HA SER A 36 19.897 -7.096 0.721 1.00 63.24 H new ATOM 0 HB2 SER A 36 21.759 -6.108 1.724 1.00 45.21 H new ATOM 0 HB3 SER A 36 22.900 -6.910 0.663 1.00 45.21 H new ATOM 0 HG SER A 36 22.676 -4.656 0.168 1.00 51.30 H new ATOM 603 N LYS A 37 21.659 -7.767 -2.003 1.00 52.42 N ATOM 604 CA LYS A 37 21.613 -7.750 -3.460 1.00 73.35 C ATOM 605 C LYS A 37 20.461 -8.606 -3.978 1.00 51.11 C ATOM 606 O LYS A 37 19.670 -8.161 -4.810 1.00 24.22 O ATOM 607 CB LYS A 37 22.937 -8.255 -4.039 1.00 13.22 C ATOM 608 CG LYS A 37 23.738 -7.179 -4.752 1.00 70.40 C ATOM 609 CD LYS A 37 22.953 -6.570 -5.902 1.00 5.23 C ATOM 610 CE LYS A 37 23.639 -5.326 -6.446 1.00 54.22 C ATOM 611 NZ LYS A 37 23.362 -4.128 -5.606 1.00 41.32 N ATOM 0 H LYS A 37 22.514 -8.165 -1.613 1.00 52.42 H new ATOM 0 HA LYS A 37 21.452 -6.721 -3.781 1.00 73.35 H new ATOM 0 HB2 LYS A 37 23.541 -8.672 -3.233 1.00 13.22 H new ATOM 0 HB3 LYS A 37 22.733 -9.067 -4.737 1.00 13.22 H new ATOM 0 HG2 LYS A 37 24.012 -6.398 -4.043 1.00 70.40 H new ATOM 0 HG3 LYS A 37 24.667 -7.606 -5.130 1.00 70.40 H new ATOM 0 HD2 LYS A 37 22.844 -7.305 -6.699 1.00 5.23 H new ATOM 0 HD3 LYS A 37 21.949 -6.315 -5.564 1.00 5.23 H new ATOM 0 HE2 LYS A 37 24.715 -5.496 -6.493 1.00 54.22 H new ATOM 0 HE3 LYS A 37 23.300 -5.141 -7.465 1.00 54.22 H new ATOM 0 HZ1 LYS A 37 23.847 -3.301 -6.010 1.00 41.32 H new ATOM 0 HZ2 LYS A 37 22.338 -3.951 -5.581 1.00 41.32 H new ATOM 0 HZ3 LYS A 37 23.708 -4.294 -4.639 1.00 41.32 H new ATOM 625 N MET A 38 20.372 -9.835 -3.479 1.00 52.54 N ATOM 626 CA MET A 38 19.314 -10.751 -3.890 1.00 43.22 C ATOM 627 C MET A 38 17.940 -10.118 -3.695 1.00 2.23 C ATOM 628 O MET A 38 17.082 -10.190 -4.575 1.00 4.21 O ATOM 629 CB MET A 38 19.405 -12.056 -3.098 1.00 32.24 C ATOM 630 CG MET A 38 18.232 -12.994 -3.336 1.00 25.14 C ATOM 631 SD MET A 38 18.071 -13.480 -5.065 1.00 3.25 S ATOM 632 CE MET A 38 16.529 -14.389 -5.018 1.00 53.25 C ATOM 0 H MET A 38 21.019 -10.219 -2.790 1.00 52.54 H new ATOM 0 HA MET A 38 19.446 -10.968 -4.950 1.00 43.22 H new ATOM 0 HB2 MET A 38 20.329 -12.569 -3.363 1.00 32.24 H new ATOM 0 HB3 MET A 38 19.464 -11.823 -2.035 1.00 32.24 H new ATOM 0 HG2 MET A 38 18.355 -13.886 -2.722 1.00 25.14 H new ATOM 0 HG3 MET A 38 17.312 -12.508 -3.012 1.00 25.14 H new ATOM 0 HE1 MET A 38 16.363 -14.874 -5.980 1.00 53.25 H new ATOM 0 HE2 MET A 38 16.576 -15.144 -4.234 1.00 53.25 H new ATOM 0 HE3 MET A 38 15.708 -13.702 -4.812 1.00 53.25 H new ATOM 642 N ASP A 39 17.738 -9.499 -2.537 1.00 3.02 N ATOM 643 CA ASP A 39 16.468 -8.853 -2.226 1.00 44.34 C ATOM 644 C ASP A 39 16.217 -7.673 -3.160 1.00 75.13 C ATOM 645 O ASP A 39 15.070 -7.335 -3.454 1.00 13.32 O ATOM 646 CB ASP A 39 16.454 -8.380 -0.772 1.00 4.20 C ATOM 647 CG ASP A 39 15.077 -7.935 -0.321 1.00 30.31 C ATOM 648 OD1 ASP A 39 14.079 -8.457 -0.860 1.00 75.50 O ATOM 649 OD2 ASP A 39 14.997 -7.066 0.572 1.00 63.02 O ATOM 0 H ASP A 39 18.438 -9.431 -1.798 1.00 3.02 H new ATOM 0 HA ASP A 39 15.672 -9.584 -2.369 1.00 44.34 H new ATOM 0 HB2 ASP A 39 16.801 -9.187 -0.127 1.00 4.20 H new ATOM 0 HB3 ASP A 39 17.156 -7.554 -0.655 1.00 4.20 H new ATOM 654 N ASP A 40 17.295 -7.051 -3.623 1.00 1.42 N ATOM 655 CA ASP A 40 17.191 -5.908 -4.524 1.00 23.45 C ATOM 656 C ASP A 40 16.567 -6.320 -5.853 1.00 53.21 C ATOM 657 O ASP A 40 15.547 -5.768 -6.269 1.00 65.51 O ATOM 658 CB ASP A 40 18.571 -5.293 -4.763 1.00 22.44 C ATOM 659 CG ASP A 40 18.516 -4.087 -5.679 1.00 64.24 C ATOM 660 OD1 ASP A 40 18.136 -2.997 -5.203 1.00 62.42 O ATOM 661 OD2 ASP A 40 18.853 -4.233 -6.873 1.00 71.24 O ATOM 0 H ASP A 40 18.251 -7.318 -3.390 1.00 1.42 H new ATOM 0 HA ASP A 40 16.547 -5.164 -4.055 1.00 23.45 H new ATOM 0 HB2 ASP A 40 19.006 -5.000 -3.807 1.00 22.44 H new ATOM 0 HB3 ASP A 40 19.231 -6.045 -5.196 1.00 22.44 H new ATOM 666 N PHE A 41 17.185 -7.291 -6.516 1.00 64.12 N ATOM 667 CA PHE A 41 16.691 -7.775 -7.800 1.00 65.11 C ATOM 668 C PHE A 41 15.264 -8.299 -7.671 1.00 41.22 C ATOM 669 O PHE A 41 14.392 -7.961 -8.473 1.00 31.30 O ATOM 670 CB PHE A 41 17.605 -8.878 -8.339 1.00 33.32 C ATOM 671 CG PHE A 41 18.143 -8.594 -9.712 1.00 55.11 C ATOM 672 CD1 PHE A 41 17.409 -7.842 -10.616 1.00 21.13 C ATOM 673 CD2 PHE A 41 19.381 -9.079 -10.099 1.00 43.15 C ATOM 674 CE1 PHE A 41 17.901 -7.578 -11.880 1.00 62.22 C ATOM 675 CE2 PHE A 41 19.879 -8.818 -11.362 1.00 53.22 C ATOM 676 CZ PHE A 41 19.137 -8.068 -12.254 1.00 43.31 C ATOM 0 H PHE A 41 18.029 -7.759 -6.186 1.00 64.12 H new ATOM 0 HA PHE A 41 16.690 -6.939 -8.500 1.00 65.11 H new ATOM 0 HB2 PHE A 41 18.440 -9.015 -7.652 1.00 33.32 H new ATOM 0 HB3 PHE A 41 17.053 -9.818 -8.361 1.00 33.32 H new ATOM 0 HD1 PHE A 41 16.441 -7.458 -10.329 1.00 21.13 H new ATOM 0 HD2 PHE A 41 19.964 -9.668 -9.406 1.00 43.15 H new ATOM 0 HE1 PHE A 41 17.320 -6.989 -12.574 1.00 62.22 H new ATOM 0 HE2 PHE A 41 20.847 -9.200 -11.651 1.00 53.22 H new ATOM 0 HZ PHE A 41 19.523 -7.865 -13.242 1.00 43.31 H new ATOM 686 N LEU A 42 15.033 -9.126 -6.658 1.00 1.34 N ATOM 687 CA LEU A 42 13.712 -9.698 -6.423 1.00 12.44 C ATOM 688 C LEU A 42 12.691 -8.605 -6.122 1.00 1.24 C ATOM 689 O LEU A 42 11.529 -8.701 -6.516 1.00 23.53 O ATOM 690 CB LEU A 42 13.765 -10.695 -5.264 1.00 12.11 C ATOM 691 CG LEU A 42 13.133 -12.063 -5.526 1.00 44.32 C ATOM 692 CD1 LEU A 42 11.622 -11.939 -5.643 1.00 62.33 C ATOM 693 CD2 LEU A 42 13.718 -12.688 -6.784 1.00 44.33 C ATOM 0 H LEU A 42 15.743 -9.416 -5.986 1.00 1.34 H new ATOM 0 HA LEU A 42 13.403 -10.219 -7.329 1.00 12.44 H new ATOM 0 HB2 LEU A 42 14.809 -10.846 -4.988 1.00 12.11 H new ATOM 0 HB3 LEU A 42 13.269 -10.247 -4.403 1.00 12.11 H new ATOM 0 HG LEU A 42 13.359 -12.714 -4.682 1.00 44.32 H new ATOM 0 HD11 LEU A 42 11.190 -12.922 -5.829 1.00 62.33 H new ATOM 0 HD12 LEU A 42 11.217 -11.534 -4.715 1.00 62.33 H new ATOM 0 HD13 LEU A 42 11.375 -11.271 -6.468 1.00 62.33 H new ATOM 0 HD21 LEU A 42 13.257 -13.661 -6.955 1.00 44.33 H new ATOM 0 HD22 LEU A 42 13.523 -12.039 -7.637 1.00 44.33 H new ATOM 0 HD23 LEU A 42 14.794 -12.813 -6.662 1.00 44.33 H new ATOM 705 N MET A 43 13.134 -7.565 -5.422 1.00 40.15 N ATOM 706 CA MET A 43 12.259 -6.452 -5.072 1.00 4.11 C ATOM 707 C MET A 43 11.739 -5.754 -6.324 1.00 43.34 C ATOM 708 O MET A 43 10.589 -5.318 -6.373 1.00 33.33 O ATOM 709 CB MET A 43 13.003 -5.450 -4.187 1.00 44.10 C ATOM 710 CG MET A 43 12.183 -4.218 -3.842 1.00 12.24 C ATOM 711 SD MET A 43 12.986 -3.170 -2.613 1.00 72.41 S ATOM 712 CE MET A 43 14.282 -2.425 -3.599 1.00 51.31 C ATOM 0 H MET A 43 14.093 -7.470 -5.086 1.00 40.15 H new ATOM 0 HA MET A 43 11.408 -6.851 -4.521 1.00 4.11 H new ATOM 0 HB2 MET A 43 13.304 -5.946 -3.264 1.00 44.10 H new ATOM 0 HB3 MET A 43 13.916 -5.138 -4.694 1.00 44.10 H new ATOM 0 HG2 MET A 43 12.006 -3.639 -4.748 1.00 12.24 H new ATOM 0 HG3 MET A 43 11.208 -4.529 -3.467 1.00 12.24 H new ATOM 0 HE1 MET A 43 14.823 -1.695 -2.997 1.00 51.31 H new ATOM 0 HE2 MET A 43 14.971 -3.198 -3.938 1.00 51.31 H new ATOM 0 HE3 MET A 43 13.841 -1.927 -4.463 1.00 51.31 H new ATOM 722 N LYS A 44 12.594 -5.650 -7.336 1.00 40.15 N ATOM 723 CA LYS A 44 12.221 -5.006 -8.590 1.00 43.52 C ATOM 724 C LYS A 44 11.232 -5.865 -9.371 1.00 30.13 C ATOM 725 O LYS A 44 10.204 -5.376 -9.840 1.00 32.35 O ATOM 726 CB LYS A 44 13.466 -4.741 -9.441 1.00 75.22 C ATOM 727 CG LYS A 44 13.272 -3.650 -10.480 1.00 14.14 C ATOM 728 CD LYS A 44 13.952 -2.357 -10.063 1.00 40.33 C ATOM 729 CE LYS A 44 13.667 -1.234 -11.049 1.00 73.23 C ATOM 730 NZ LYS A 44 13.502 0.078 -10.364 1.00 30.41 N ATOM 0 H LYS A 44 13.550 -6.004 -7.312 1.00 40.15 H new ATOM 0 HA LYS A 44 11.741 -4.057 -8.353 1.00 43.52 H new ATOM 0 HB2 LYS A 44 14.292 -4.464 -8.785 1.00 75.22 H new ATOM 0 HB3 LYS A 44 13.755 -5.664 -9.945 1.00 75.22 H new ATOM 0 HG2 LYS A 44 13.675 -3.982 -11.437 1.00 14.14 H new ATOM 0 HG3 LYS A 44 12.207 -3.471 -10.627 1.00 14.14 H new ATOM 0 HD2 LYS A 44 13.607 -2.067 -9.070 1.00 40.33 H new ATOM 0 HD3 LYS A 44 15.028 -2.517 -9.993 1.00 40.33 H new ATOM 0 HE2 LYS A 44 14.483 -1.168 -11.769 1.00 73.23 H new ATOM 0 HE3 LYS A 44 12.763 -1.466 -11.612 1.00 73.23 H new ATOM 0 HZ1 LYS A 44 13.309 0.817 -11.070 1.00 30.41 H new ATOM 0 HZ2 LYS A 44 12.708 0.023 -9.695 1.00 30.41 H new ATOM 0 HZ3 LYS A 44 14.374 0.312 -9.848 1.00 30.41 H new ATOM 744 N LYS A 45 11.548 -7.149 -9.505 1.00 42.43 N ATOM 745 CA LYS A 45 10.686 -8.078 -10.226 1.00 44.23 C ATOM 746 C LYS A 45 9.252 -7.998 -9.715 1.00 13.05 C ATOM 747 O LYS A 45 8.314 -7.819 -10.492 1.00 63.31 O ATOM 748 CB LYS A 45 11.211 -9.508 -10.083 1.00 63.21 C ATOM 749 CG LYS A 45 10.508 -10.507 -10.985 1.00 33.51 C ATOM 750 CD LYS A 45 11.488 -11.214 -11.906 1.00 50.34 C ATOM 751 CE LYS A 45 12.160 -10.237 -12.859 1.00 3.11 C ATOM 752 NZ LYS A 45 11.196 -9.666 -13.840 1.00 22.03 N ATOM 0 H LYS A 45 12.395 -7.570 -9.123 1.00 42.43 H new ATOM 0 HA LYS A 45 10.693 -7.798 -11.280 1.00 44.23 H new ATOM 0 HB2 LYS A 45 12.278 -9.518 -10.306 1.00 63.21 H new ATOM 0 HB3 LYS A 45 11.099 -9.825 -9.046 1.00 63.21 H new ATOM 0 HG2 LYS A 45 9.985 -11.243 -10.375 1.00 33.51 H new ATOM 0 HG3 LYS A 45 9.754 -9.993 -11.581 1.00 33.51 H new ATOM 0 HD2 LYS A 45 12.246 -11.723 -11.311 1.00 50.34 H new ATOM 0 HD3 LYS A 45 10.964 -11.980 -12.478 1.00 50.34 H new ATOM 0 HE2 LYS A 45 12.618 -9.429 -12.288 1.00 3.11 H new ATOM 0 HE3 LYS A 45 12.963 -10.745 -13.393 1.00 3.11 H new ATOM 0 HZ1 LYS A 45 11.716 -9.141 -14.572 1.00 22.03 H new ATOM 0 HZ2 LYS A 45 10.655 -10.436 -14.284 1.00 22.03 H new ATOM 0 HZ3 LYS A 45 10.543 -9.022 -13.350 1.00 22.03 H new ATOM 766 N SER A 46 9.088 -8.130 -8.402 1.00 60.21 N ATOM 767 CA SER A 46 7.767 -8.075 -7.787 1.00 60.30 C ATOM 768 C SER A 46 7.120 -6.712 -8.011 1.00 74.14 C ATOM 769 O SER A 46 5.905 -6.609 -8.187 1.00 64.33 O ATOM 770 CB SER A 46 7.867 -8.365 -6.288 1.00 54.31 C ATOM 771 OG SER A 46 6.602 -8.711 -5.750 1.00 40.34 O ATOM 0 H SER A 46 9.854 -8.276 -7.744 1.00 60.21 H new ATOM 0 HA SER A 46 7.143 -8.835 -8.256 1.00 60.30 H new ATOM 0 HB2 SER A 46 8.573 -9.178 -6.118 1.00 54.31 H new ATOM 0 HB3 SER A 46 8.259 -7.489 -5.770 1.00 54.31 H new ATOM 0 HG SER A 46 6.693 -8.893 -4.791 1.00 40.34 H new ATOM 777 N LYS A 47 7.939 -5.666 -8.004 1.00 24.52 N ATOM 778 CA LYS A 47 7.450 -4.308 -8.207 1.00 72.24 C ATOM 779 C LYS A 47 7.053 -4.086 -9.663 1.00 52.52 C ATOM 780 O LYS A 47 6.193 -3.256 -9.962 1.00 30.13 O ATOM 781 CB LYS A 47 8.518 -3.292 -7.798 1.00 24.11 C ATOM 782 CG LYS A 47 9.171 -2.588 -8.975 1.00 12.11 C ATOM 783 CD LYS A 47 8.344 -1.403 -9.444 1.00 13.31 C ATOM 784 CE LYS A 47 9.032 -0.083 -9.129 1.00 34.32 C ATOM 785 NZ LYS A 47 8.884 0.898 -10.239 1.00 14.43 N ATOM 0 H LYS A 47 8.946 -5.733 -7.860 1.00 24.52 H new ATOM 0 HA LYS A 47 6.568 -4.169 -7.582 1.00 72.24 H new ATOM 0 HB2 LYS A 47 8.066 -2.546 -7.144 1.00 24.11 H new ATOM 0 HB3 LYS A 47 9.288 -3.800 -7.217 1.00 24.11 H new ATOM 0 HG2 LYS A 47 10.167 -2.248 -8.690 1.00 12.11 H new ATOM 0 HG3 LYS A 47 9.298 -3.293 -9.797 1.00 12.11 H new ATOM 0 HD2 LYS A 47 8.174 -1.479 -10.518 1.00 13.31 H new ATOM 0 HD3 LYS A 47 7.366 -1.428 -8.964 1.00 13.31 H new ATOM 0 HE2 LYS A 47 8.612 0.337 -8.215 1.00 34.32 H new ATOM 0 HE3 LYS A 47 10.091 -0.261 -8.940 1.00 34.32 H new ATOM 0 HZ1 LYS A 47 9.648 1.601 -10.185 1.00 14.43 H new ATOM 0 HZ2 LYS A 47 8.935 0.401 -11.151 1.00 14.43 H new ATOM 0 HZ3 LYS A 47 7.965 1.379 -10.157 1.00 14.43 H new ATOM 799 N ILE A 48 7.683 -4.831 -10.564 1.00 71.53 N ATOM 800 CA ILE A 48 7.393 -4.716 -11.988 1.00 73.51 C ATOM 801 C ILE A 48 6.095 -5.434 -12.344 1.00 40.33 C ATOM 802 O ILE A 48 5.381 -5.029 -13.263 1.00 21.10 O ATOM 803 CB ILE A 48 8.536 -5.293 -12.844 1.00 2.40 C ATOM 804 CG1 ILE A 48 9.804 -4.453 -12.672 1.00 71.22 C ATOM 805 CG2 ILE A 48 8.126 -5.348 -14.308 1.00 33.41 C ATOM 806 CD1 ILE A 48 11.065 -5.280 -12.558 1.00 23.21 C ATOM 0 H ILE A 48 8.398 -5.521 -10.334 1.00 71.53 H new ATOM 0 HA ILE A 48 7.289 -3.653 -12.204 1.00 73.51 H new ATOM 0 HB ILE A 48 8.746 -6.308 -12.507 1.00 2.40 H new ATOM 0 HG12 ILE A 48 9.899 -3.775 -13.520 1.00 71.22 H new ATOM 0 HG13 ILE A 48 9.703 -3.835 -11.780 1.00 71.22 H new ATOM 0 HG21 ILE A 48 8.944 -5.758 -14.900 1.00 33.41 H new ATOM 0 HG22 ILE A 48 7.247 -5.983 -14.416 1.00 33.41 H new ATOM 0 HG23 ILE A 48 7.893 -4.343 -14.659 1.00 33.41 H new ATOM 0 HD11 ILE A 48 11.924 -4.619 -12.438 1.00 23.21 H new ATOM 0 HD12 ILE A 48 10.991 -5.939 -11.693 1.00 23.21 H new ATOM 0 HD13 ILE A 48 11.190 -5.878 -13.460 1.00 23.21 H new ATOM 818 N LEU A 49 5.794 -6.499 -11.611 1.00 21.52 N ATOM 819 CA LEU A 49 4.580 -7.273 -11.847 1.00 63.34 C ATOM 820 C LEU A 49 3.337 -6.419 -11.622 1.00 41.44 C ATOM 821 O LEU A 49 2.282 -6.675 -12.201 1.00 20.03 O ATOM 822 CB LEU A 49 4.545 -8.497 -10.930 1.00 11.21 C ATOM 823 CG LEU A 49 5.838 -9.309 -10.844 1.00 13.33 C ATOM 824 CD1 LEU A 49 5.549 -10.722 -10.361 1.00 43.13 C ATOM 825 CD2 LEU A 49 6.541 -9.337 -12.193 1.00 11.21 C ATOM 0 H LEU A 49 6.374 -6.847 -10.847 1.00 21.52 H new ATOM 0 HA LEU A 49 4.587 -7.605 -12.885 1.00 63.34 H new ATOM 0 HB2 LEU A 49 4.280 -8.166 -9.926 1.00 11.21 H new ATOM 0 HB3 LEU A 49 3.747 -9.157 -11.269 1.00 11.21 H new ATOM 0 HG LEU A 49 6.499 -8.829 -10.123 1.00 13.33 H new ATOM 0 HD11 LEU A 49 6.481 -11.285 -10.306 1.00 43.13 H new ATOM 0 HD12 LEU A 49 5.090 -10.682 -9.373 1.00 43.13 H new ATOM 0 HD13 LEU A 49 4.869 -11.213 -11.057 1.00 43.13 H new ATOM 0 HD21 LEU A 49 7.459 -9.919 -12.113 1.00 11.21 H new ATOM 0 HD22 LEU A 49 5.886 -9.793 -12.935 1.00 11.21 H new ATOM 0 HD23 LEU A 49 6.782 -8.319 -12.499 1.00 11.21 H new ATOM 837 N GLY A 50 3.470 -5.399 -10.779 1.00 65.30 N ATOM 838 CA GLY A 50 2.351 -4.521 -10.494 1.00 40.22 C ATOM 839 C GLY A 50 2.452 -3.197 -11.227 1.00 34.45 C ATOM 840 O GLY A 50 1.438 -2.603 -11.594 1.00 33.52 O ATOM 0 H GLY A 50 4.333 -5.166 -10.289 1.00 65.30 H new ATOM 0 HA2 GLY A 50 1.422 -5.018 -10.774 1.00 40.22 H new ATOM 0 HA3 GLY A 50 2.302 -4.336 -9.421 1.00 40.22 H new ATOM 844 N LYS A 51 3.678 -2.732 -11.439 1.00 20.24 N ATOM 845 CA LYS A 51 3.909 -1.470 -12.131 1.00 71.23 C ATOM 846 C LYS A 51 3.209 -1.457 -13.487 1.00 30.45 C ATOM 847 O LYS A 51 2.686 -2.477 -13.937 1.00 33.21 O ATOM 848 CB LYS A 51 5.409 -1.234 -12.318 1.00 64.42 C ATOM 849 CG LYS A 51 5.910 0.045 -11.669 1.00 74.52 C ATOM 850 CD LYS A 51 5.575 0.086 -10.188 1.00 21.35 C ATOM 851 CE LYS A 51 4.471 1.090 -9.893 1.00 45.10 C ATOM 852 NZ LYS A 51 4.636 1.717 -8.552 1.00 54.34 N ATOM 0 H LYS A 51 4.528 -3.211 -11.141 1.00 20.24 H new ATOM 0 HA LYS A 51 3.495 -0.668 -11.520 1.00 71.23 H new ATOM 0 HB2 LYS A 51 5.956 -2.080 -11.903 1.00 64.42 H new ATOM 0 HB3 LYS A 51 5.633 -1.202 -13.384 1.00 64.42 H new ATOM 0 HG2 LYS A 51 6.989 0.123 -11.801 1.00 74.52 H new ATOM 0 HG3 LYS A 51 5.465 0.906 -12.168 1.00 74.52 H new ATOM 0 HD2 LYS A 51 5.265 -0.905 -9.857 1.00 21.35 H new ATOM 0 HD3 LYS A 51 6.467 0.347 -9.619 1.00 21.35 H new ATOM 0 HE2 LYS A 51 4.471 1.865 -10.659 1.00 45.10 H new ATOM 0 HE3 LYS A 51 3.503 0.591 -9.944 1.00 45.10 H new ATOM 0 HZ1 LYS A 51 3.864 2.395 -8.388 1.00 54.34 H new ATOM 0 HZ2 LYS A 51 4.611 0.980 -7.819 1.00 54.34 H new ATOM 0 HZ3 LYS A 51 5.548 2.215 -8.511 1.00 54.34 H new ATOM 866 N THR A 52 3.204 -0.296 -14.134 1.00 71.32 N ATOM 867 CA THR A 52 2.569 -0.151 -15.438 1.00 31.01 C ATOM 868 C THR A 52 3.585 0.241 -16.504 1.00 4.20 C ATOM 869 O THR A 52 4.739 0.537 -16.196 1.00 22.41 O ATOM 870 CB THR A 52 1.447 0.904 -15.402 1.00 32.32 C ATOM 871 OG1 THR A 52 0.729 0.898 -16.641 1.00 2.10 O ATOM 872 CG2 THR A 52 2.016 2.291 -15.146 1.00 22.11 C ATOM 0 H THR A 52 3.633 0.558 -13.776 1.00 71.32 H new ATOM 0 HA THR A 52 2.139 -1.120 -15.689 1.00 31.01 H new ATOM 0 HB THR A 52 0.768 0.652 -14.588 1.00 32.32 H new ATOM 0 HG1 THR A 52 0.016 1.570 -16.609 1.00 2.10 H new ATOM 0 HG21 THR A 52 1.205 3.019 -15.125 1.00 22.11 H new ATOM 0 HG22 THR A 52 2.536 2.300 -14.188 1.00 22.11 H new ATOM 0 HG23 THR A 52 2.715 2.550 -15.941 1.00 22.11 H new ATOM 880 N ASN A 53 3.149 0.243 -17.759 1.00 72.53 N ATOM 881 CA ASN A 53 4.022 0.599 -18.872 1.00 11.12 C ATOM 882 C ASN A 53 4.612 1.992 -18.675 1.00 41.22 C ATOM 883 O ASN A 53 5.695 2.296 -19.176 1.00 1.33 O ATOM 884 CB ASN A 53 3.250 0.542 -20.192 1.00 21.44 C ATOM 885 CG ASN A 53 3.278 -0.839 -20.818 1.00 35.32 C ATOM 886 OD1 ASN A 53 2.233 -1.434 -21.081 1.00 74.35 O ATOM 887 ND2 ASN A 53 4.477 -1.356 -21.058 1.00 40.14 N ATOM 0 H ASN A 53 2.196 0.002 -18.031 1.00 72.53 H new ATOM 0 HA ASN A 53 4.839 -0.122 -18.906 1.00 11.12 H new ATOM 0 HB2 ASN A 53 2.216 0.838 -20.018 1.00 21.44 H new ATOM 0 HB3 ASN A 53 3.675 1.263 -20.890 1.00 21.44 H new ATOM 0 HD21 ASN A 53 4.558 -2.282 -21.477 1.00 40.14 H new ATOM 0 HD22 ASN A 53 5.317 -0.827 -20.824 1.00 40.14 H new ATOM 894 N LYS A 54 3.893 2.835 -17.942 1.00 51.43 N ATOM 895 CA LYS A 54 4.344 4.196 -17.677 1.00 5.14 C ATOM 896 C LYS A 54 5.642 4.192 -16.875 1.00 21.11 C ATOM 897 O LYS A 54 6.588 4.907 -17.205 1.00 14.21 O ATOM 898 CB LYS A 54 3.267 4.974 -16.918 1.00 53.25 C ATOM 899 CG LYS A 54 1.927 5.011 -17.633 1.00 71.01 C ATOM 900 CD LYS A 54 0.829 5.550 -16.732 1.00 13.12 C ATOM 901 CE LYS A 54 0.995 7.041 -16.481 1.00 42.01 C ATOM 902 NZ LYS A 54 -0.168 7.614 -15.749 1.00 33.41 N ATOM 0 H LYS A 54 2.995 2.599 -17.520 1.00 51.43 H new ATOM 0 HA LYS A 54 4.529 4.683 -18.634 1.00 5.14 H new ATOM 0 HB2 LYS A 54 3.132 4.526 -15.934 1.00 53.25 H new ATOM 0 HB3 LYS A 54 3.613 5.995 -16.758 1.00 53.25 H new ATOM 0 HG2 LYS A 54 2.006 5.634 -18.524 1.00 71.01 H new ATOM 0 HG3 LYS A 54 1.664 4.007 -17.968 1.00 71.01 H new ATOM 0 HD2 LYS A 54 -0.143 5.363 -17.189 1.00 13.12 H new ATOM 0 HD3 LYS A 54 0.842 5.016 -15.782 1.00 13.12 H new ATOM 0 HE2 LYS A 54 1.906 7.213 -15.907 1.00 42.01 H new ATOM 0 HE3 LYS A 54 1.115 7.558 -17.433 1.00 42.01 H new ATOM 0 HZ1 LYS A 54 -0.016 8.632 -15.598 1.00 33.41 H new ATOM 0 HZ2 LYS A 54 -1.034 7.473 -16.308 1.00 33.41 H new ATOM 0 HZ3 LYS A 54 -0.268 7.139 -14.829 1.00 33.41 H new ATOM 916 N GLN A 55 5.680 3.381 -15.822 1.00 54.05 N ATOM 917 CA GLN A 55 6.862 3.284 -14.975 1.00 42.21 C ATOM 918 C GLN A 55 7.892 2.337 -15.583 1.00 54.43 C ATOM 919 O GLN A 55 9.098 2.538 -15.436 1.00 61.44 O ATOM 920 CB GLN A 55 6.475 2.804 -13.575 1.00 53.23 C ATOM 921 CG GLN A 55 6.212 3.936 -12.595 1.00 54.13 C ATOM 922 CD GLN A 55 7.386 4.887 -12.473 1.00 31.02 C ATOM 923 OE1 GLN A 55 7.305 6.048 -12.876 1.00 75.52 O ATOM 924 NE2 GLN A 55 8.487 4.399 -11.914 1.00 1.24 N ATOM 0 H GLN A 55 4.906 2.782 -15.536 1.00 54.05 H new ATOM 0 HA GLN A 55 7.307 4.276 -14.901 1.00 42.21 H new ATOM 0 HB2 GLN A 55 5.583 2.182 -13.647 1.00 53.23 H new ATOM 0 HB3 GLN A 55 7.273 2.173 -13.183 1.00 53.23 H new ATOM 0 HG2 GLN A 55 5.331 4.492 -12.916 1.00 54.13 H new ATOM 0 HG3 GLN A 55 5.985 3.517 -11.615 1.00 54.13 H new ATOM 0 HE21 GLN A 55 8.510 3.431 -11.594 1.00 1.24 H new ATOM 0 HE22 GLN A 55 9.309 4.992 -11.805 1.00 1.24 H new ATOM 933 N LEU A 56 7.408 1.306 -16.266 1.00 61.42 N ATOM 934 CA LEU A 56 8.287 0.327 -16.897 1.00 75.51 C ATOM 935 C LEU A 56 9.364 1.017 -17.727 1.00 60.32 C ATOM 936 O LEU A 56 9.063 1.786 -18.641 1.00 33.04 O ATOM 937 CB LEU A 56 7.474 -0.621 -17.781 1.00 64.34 C ATOM 938 CG LEU A 56 8.262 -1.386 -18.846 1.00 52.44 C ATOM 939 CD1 LEU A 56 7.638 -2.750 -19.095 1.00 21.24 C ATOM 940 CD2 LEU A 56 8.328 -0.584 -20.138 1.00 73.34 C ATOM 0 H LEU A 56 6.413 1.126 -16.397 1.00 61.42 H new ATOM 0 HA LEU A 56 8.775 -0.248 -16.110 1.00 75.51 H new ATOM 0 HB2 LEU A 56 6.973 -1.345 -17.138 1.00 64.34 H new ATOM 0 HB3 LEU A 56 6.695 -0.043 -18.279 1.00 64.34 H new ATOM 0 HG LEU A 56 9.278 -1.536 -18.481 1.00 52.44 H new ATOM 0 HD11 LEU A 56 8.212 -3.279 -19.855 1.00 21.24 H new ATOM 0 HD12 LEU A 56 7.643 -3.327 -18.170 1.00 21.24 H new ATOM 0 HD13 LEU A 56 6.611 -2.623 -19.438 1.00 21.24 H new ATOM 0 HD21 LEU A 56 8.892 -1.143 -20.885 1.00 73.34 H new ATOM 0 HD22 LEU A 56 7.318 -0.404 -20.506 1.00 73.34 H new ATOM 0 HD23 LEU A 56 8.821 0.370 -19.950 1.00 73.34 H new ATOM 952 N THR A 57 10.623 0.735 -17.405 1.00 51.33 N ATOM 953 CA THR A 57 11.746 1.328 -18.121 1.00 74.34 C ATOM 954 C THR A 57 12.626 0.253 -18.749 1.00 52.24 C ATOM 955 O THR A 57 12.281 -0.929 -18.740 1.00 52.43 O ATOM 956 CB THR A 57 12.607 2.202 -17.191 1.00 23.24 C ATOM 957 OG1 THR A 57 13.328 1.375 -16.271 1.00 23.44 O ATOM 958 CG2 THR A 57 11.743 3.190 -16.422 1.00 74.41 C ATOM 0 H THR A 57 10.890 0.100 -16.653 1.00 51.33 H new ATOM 0 HA THR A 57 11.325 1.954 -18.907 1.00 74.34 H new ATOM 0 HB THR A 57 13.312 2.762 -17.806 1.00 23.24 H new ATOM 0 HG1 THR A 57 13.875 1.938 -15.684 1.00 23.44 H new ATOM 0 HG21 THR A 57 12.374 3.796 -15.772 1.00 74.41 H new ATOM 0 HG22 THR A 57 11.218 3.837 -17.124 1.00 74.41 H new ATOM 0 HG23 THR A 57 11.017 2.645 -15.818 1.00 74.41 H new ATOM 966 N ARG A 58 13.764 0.671 -19.294 1.00 20.23 N ATOM 967 CA ARG A 58 14.694 -0.257 -19.927 1.00 14.22 C ATOM 968 C ARG A 58 14.994 -1.438 -19.008 1.00 51.50 C ATOM 969 O ARG A 58 14.843 -2.595 -19.399 1.00 34.04 O ATOM 970 CB ARG A 58 15.994 0.461 -20.294 1.00 14.35 C ATOM 971 CG ARG A 58 17.051 -0.457 -20.885 1.00 12.21 C ATOM 972 CD ARG A 58 16.669 -0.919 -22.282 1.00 51.45 C ATOM 973 NE ARG A 58 17.639 -1.862 -22.832 1.00 4.43 N ATOM 974 CZ ARG A 58 17.584 -2.334 -24.072 1.00 23.11 C ATOM 975 NH1 ARG A 58 16.611 -1.953 -24.887 1.00 71.14 N ATOM 976 NH2 ARG A 58 18.505 -3.189 -24.499 1.00 33.42 N ATOM 0 H ARG A 58 14.064 1.646 -19.310 1.00 20.23 H new ATOM 0 HA ARG A 58 14.227 -0.636 -20.836 1.00 14.22 H new ATOM 0 HB2 ARG A 58 15.772 1.253 -21.009 1.00 14.35 H new ATOM 0 HB3 ARG A 58 16.399 0.940 -19.403 1.00 14.35 H new ATOM 0 HG2 ARG A 58 18.008 0.064 -20.922 1.00 12.21 H new ATOM 0 HG3 ARG A 58 17.185 -1.324 -20.238 1.00 12.21 H new ATOM 0 HD2 ARG A 58 15.685 -1.387 -22.252 1.00 51.45 H new ATOM 0 HD3 ARG A 58 16.591 -0.054 -22.941 1.00 51.45 H new ATOM 0 HE ARG A 58 18.401 -2.175 -22.230 1.00 4.43 H new ATOM 0 HH11 ARG A 58 15.902 -1.296 -24.562 1.00 71.14 H new ATOM 0 HH12 ARG A 58 16.571 -2.317 -25.839 1.00 71.14 H new ATOM 0 HH21 ARG A 58 19.256 -3.484 -23.875 1.00 33.42 H new ATOM 0 HH22 ARG A 58 18.462 -3.551 -25.452 1.00 33.42 H new ATOM 990 N SER A 59 15.421 -1.136 -17.786 1.00 33.02 N ATOM 991 CA SER A 59 15.747 -2.172 -16.813 1.00 35.12 C ATOM 992 C SER A 59 14.552 -3.092 -16.579 1.00 24.43 C ATOM 993 O SER A 59 14.716 -4.274 -16.274 1.00 13.13 O ATOM 994 CB SER A 59 16.184 -1.540 -15.490 1.00 44.33 C ATOM 995 OG SER A 59 16.154 -2.487 -14.437 1.00 73.20 O ATOM 0 H SER A 59 15.549 -0.183 -17.446 1.00 33.02 H new ATOM 0 HA SER A 59 16.569 -2.766 -17.213 1.00 35.12 H new ATOM 0 HB2 SER A 59 17.191 -1.137 -15.592 1.00 44.33 H new ATOM 0 HB3 SER A 59 15.528 -0.703 -15.249 1.00 44.33 H new ATOM 0 HG SER A 59 16.439 -2.058 -13.603 1.00 73.20 H new ATOM 1001 N ASP A 60 13.352 -2.542 -16.724 1.00 2.14 N ATOM 1002 CA ASP A 60 12.129 -3.312 -16.529 1.00 62.23 C ATOM 1003 C ASP A 60 11.896 -4.265 -17.698 1.00 14.23 C ATOM 1004 O ASP A 60 11.422 -5.386 -17.512 1.00 40.12 O ATOM 1005 CB ASP A 60 10.931 -2.375 -16.371 1.00 74.34 C ATOM 1006 CG ASP A 60 9.644 -3.124 -16.086 1.00 31.43 C ATOM 1007 OD1 ASP A 60 9.380 -4.135 -16.771 1.00 5.20 O ATOM 1008 OD2 ASP A 60 8.901 -2.701 -15.176 1.00 52.31 O ATOM 0 H ASP A 60 13.200 -1.565 -16.976 1.00 2.14 H new ATOM 0 HA ASP A 60 12.240 -3.902 -15.619 1.00 62.23 H new ATOM 0 HB2 ASP A 60 11.127 -1.673 -15.560 1.00 74.34 H new ATOM 0 HB3 ASP A 60 10.812 -1.786 -17.280 1.00 74.34 H new ATOM 1013 N ARG A 61 12.230 -3.810 -18.901 1.00 71.20 N ATOM 1014 CA ARG A 61 12.054 -4.621 -20.100 1.00 23.01 C ATOM 1015 C ARG A 61 13.166 -5.659 -20.222 1.00 1.11 C ATOM 1016 O ARG A 61 12.932 -6.784 -20.662 1.00 33.04 O ATOM 1017 CB ARG A 61 12.033 -3.732 -21.344 1.00 44.44 C ATOM 1018 CG ARG A 61 10.772 -3.881 -22.179 1.00 31.41 C ATOM 1019 CD ARG A 61 10.242 -2.531 -22.634 1.00 55.21 C ATOM 1020 NE ARG A 61 9.224 -2.664 -23.673 1.00 71.31 N ATOM 1021 CZ ARG A 61 9.495 -3.010 -24.927 1.00 13.11 C ATOM 1022 NH1 ARG A 61 10.744 -3.256 -25.295 1.00 44.11 N ATOM 1023 NH2 ARG A 61 8.514 -3.111 -25.815 1.00 41.51 N ATOM 0 H ARG A 61 12.624 -2.885 -19.071 1.00 71.20 H new ATOM 0 HA ARG A 61 11.101 -5.143 -20.019 1.00 23.01 H new ATOM 0 HB2 ARG A 61 12.135 -2.691 -21.038 1.00 44.44 H new ATOM 0 HB3 ARG A 61 12.898 -3.968 -21.963 1.00 44.44 H new ATOM 0 HG2 ARG A 61 10.982 -4.503 -23.049 1.00 31.41 H new ATOM 0 HG3 ARG A 61 10.008 -4.396 -21.597 1.00 31.41 H new ATOM 0 HD2 ARG A 61 9.821 -2.000 -21.780 1.00 55.21 H new ATOM 0 HD3 ARG A 61 11.067 -1.926 -23.010 1.00 55.21 H new ATOM 0 HE ARG A 61 8.252 -2.481 -23.422 1.00 71.31 H new ATOM 0 HH11 ARG A 61 11.500 -3.180 -24.615 1.00 44.11 H new ATOM 0 HH12 ARG A 61 10.949 -3.521 -26.258 1.00 44.11 H new ATOM 0 HH21 ARG A 61 7.551 -2.923 -25.535 1.00 41.51 H new ATOM 0 HH22 ARG A 61 8.723 -3.377 -26.777 1.00 41.51 H new ATOM 1037 N GLU A 62 14.376 -5.272 -19.830 1.00 50.42 N ATOM 1038 CA GLU A 62 15.524 -6.169 -19.897 1.00 54.44 C ATOM 1039 C GLU A 62 15.363 -7.331 -18.922 1.00 61.54 C ATOM 1040 O GLU A 62 15.693 -8.474 -19.241 1.00 44.22 O ATOM 1041 CB GLU A 62 16.814 -5.406 -19.590 1.00 50.25 C ATOM 1042 CG GLU A 62 17.669 -5.138 -20.817 1.00 65.44 C ATOM 1043 CD GLU A 62 19.035 -4.579 -20.466 1.00 74.32 C ATOM 1044 OE1 GLU A 62 19.114 -3.742 -19.543 1.00 71.22 O ATOM 1045 OE2 GLU A 62 20.024 -4.980 -21.115 1.00 52.30 O ATOM 0 H GLU A 62 14.587 -4.344 -19.463 1.00 50.42 H new ATOM 0 HA GLU A 62 15.581 -6.571 -20.909 1.00 54.44 H new ATOM 0 HB2 GLU A 62 16.561 -4.456 -19.119 1.00 50.25 H new ATOM 0 HB3 GLU A 62 17.399 -5.974 -18.867 1.00 50.25 H new ATOM 0 HG2 GLU A 62 17.793 -6.064 -21.378 1.00 65.44 H new ATOM 0 HG3 GLU A 62 17.150 -4.436 -21.470 1.00 65.44 H new ATOM 1052 N VAL A 63 14.854 -7.032 -17.732 1.00 12.33 N ATOM 1053 CA VAL A 63 14.649 -8.051 -16.709 1.00 55.15 C ATOM 1054 C VAL A 63 13.478 -8.960 -17.067 1.00 11.21 C ATOM 1055 O VAL A 63 13.556 -10.180 -16.916 1.00 10.23 O ATOM 1056 CB VAL A 63 14.390 -7.418 -15.330 1.00 12.45 C ATOM 1057 CG1 VAL A 63 15.601 -6.618 -14.873 1.00 73.12 C ATOM 1058 CG2 VAL A 63 13.147 -6.542 -15.370 1.00 52.44 C ATOM 0 H VAL A 63 14.576 -6.092 -17.452 1.00 12.33 H new ATOM 0 HA VAL A 63 15.564 -8.642 -16.663 1.00 55.15 H new ATOM 0 HB VAL A 63 14.220 -8.218 -14.609 1.00 12.45 H new ATOM 0 HG11 VAL A 63 15.399 -6.178 -13.896 1.00 73.12 H new ATOM 0 HG12 VAL A 63 16.467 -7.277 -14.802 1.00 73.12 H new ATOM 0 HG13 VAL A 63 15.806 -5.825 -15.593 1.00 73.12 H new ATOM 0 HG21 VAL A 63 12.980 -6.103 -14.387 1.00 52.44 H new ATOM 0 HG22 VAL A 63 13.285 -5.748 -16.103 1.00 52.44 H new ATOM 0 HG23 VAL A 63 12.284 -7.147 -15.649 1.00 52.44 H new ATOM 1068 N LEU A 64 12.393 -8.358 -17.542 1.00 70.43 N ATOM 1069 CA LEU A 64 11.204 -9.114 -17.923 1.00 2.43 C ATOM 1070 C LEU A 64 11.523 -10.107 -19.036 1.00 1.24 C ATOM 1071 O LEU A 64 11.111 -11.266 -18.984 1.00 11.32 O ATOM 1072 CB LEU A 64 10.095 -8.162 -18.375 1.00 32.42 C ATOM 1073 CG LEU A 64 8.877 -8.066 -17.455 1.00 2.12 C ATOM 1074 CD1 LEU A 64 9.313 -7.987 -16.000 1.00 35.42 C ATOM 1075 CD2 LEU A 64 8.024 -6.861 -17.824 1.00 21.01 C ATOM 0 H LEU A 64 12.312 -7.350 -17.673 1.00 70.43 H new ATOM 0 HA LEU A 64 10.863 -9.672 -17.051 1.00 2.43 H new ATOM 0 HB2 LEU A 64 10.522 -7.165 -18.485 1.00 32.42 H new ATOM 0 HB3 LEU A 64 9.756 -8.474 -19.363 1.00 32.42 H new ATOM 0 HG LEU A 64 8.275 -8.966 -17.585 1.00 2.12 H new ATOM 0 HD11 LEU A 64 8.433 -7.919 -15.360 1.00 35.42 H new ATOM 0 HD12 LEU A 64 9.882 -8.880 -15.742 1.00 35.42 H new ATOM 0 HD13 LEU A 64 9.937 -7.105 -15.854 1.00 35.42 H new ATOM 0 HD21 LEU A 64 7.162 -6.808 -17.159 1.00 21.01 H new ATOM 0 HD22 LEU A 64 8.616 -5.951 -17.723 1.00 21.01 H new ATOM 0 HD23 LEU A 64 7.682 -6.959 -18.854 1.00 21.01 H new ATOM 1087 N ASP A 65 12.261 -9.646 -20.039 1.00 53.55 N ATOM 1088 CA ASP A 65 12.638 -10.494 -21.164 1.00 22.23 C ATOM 1089 C ASP A 65 13.559 -11.622 -20.708 1.00 42.22 C ATOM 1090 O ASP A 65 13.456 -12.751 -21.184 1.00 73.42 O ATOM 1091 CB ASP A 65 13.326 -9.664 -22.249 1.00 10.14 C ATOM 1092 CG ASP A 65 12.669 -9.826 -23.605 1.00 52.42 C ATOM 1093 OD1 ASP A 65 12.879 -10.878 -24.245 1.00 13.31 O ATOM 1094 OD2 ASP A 65 11.944 -8.901 -24.027 1.00 11.42 O ATOM 0 H ASP A 65 12.610 -8.689 -20.096 1.00 53.55 H new ATOM 0 HA ASP A 65 11.730 -10.934 -21.576 1.00 22.23 H new ATOM 0 HB2 ASP A 65 13.309 -8.612 -21.963 1.00 10.14 H new ATOM 0 HB3 ASP A 65 14.373 -9.958 -22.318 1.00 10.14 H new ATOM 1099 N ASN A 66 14.461 -11.306 -19.784 1.00 14.10 N ATOM 1100 CA ASN A 66 15.401 -12.292 -19.265 1.00 64.23 C ATOM 1101 C ASN A 66 14.690 -13.307 -18.376 1.00 30.41 C ATOM 1102 O ASN A 66 14.896 -14.514 -18.507 1.00 11.03 O ATOM 1103 CB ASN A 66 16.516 -11.600 -18.478 1.00 33.02 C ATOM 1104 CG ASN A 66 17.526 -12.584 -17.920 1.00 0.44 C ATOM 1105 OD1 ASN A 66 17.825 -12.573 -16.725 1.00 52.03 O ATOM 1106 ND2 ASN A 66 18.058 -13.440 -18.784 1.00 73.00 N ATOM 0 H ASN A 66 14.560 -10.375 -19.380 1.00 14.10 H new ATOM 0 HA ASN A 66 15.838 -12.821 -20.112 1.00 64.23 H new ATOM 0 HB2 ASN A 66 17.027 -10.888 -19.126 1.00 33.02 H new ATOM 0 HB3 ASN A 66 16.079 -11.029 -17.659 1.00 33.02 H new ATOM 0 HD21 ASN A 66 18.744 -14.125 -18.467 1.00 73.00 H new ATOM 0 HD22 ASN A 66 17.781 -13.413 -19.765 1.00 73.00 H new ATOM 1113 N TRP A 67 13.853 -12.810 -17.473 1.00 33.10 N ATOM 1114 CA TRP A 67 13.110 -13.674 -16.562 1.00 40.21 C ATOM 1115 C TRP A 67 12.311 -14.719 -17.333 1.00 24.21 C ATOM 1116 O TRP A 67 12.282 -15.892 -16.958 1.00 43.43 O ATOM 1117 CB TRP A 67 12.172 -12.840 -15.687 1.00 61.53 C ATOM 1118 CG TRP A 67 10.740 -13.273 -15.772 1.00 73.41 C ATOM 1119 CD1 TRP A 67 9.755 -12.705 -16.528 1.00 51.52 C ATOM 1120 CD2 TRP A 67 10.132 -14.366 -15.074 1.00 12.42 C ATOM 1121 NE1 TRP A 67 8.571 -13.377 -16.342 1.00 64.30 N ATOM 1122 CE2 TRP A 67 8.776 -14.401 -15.455 1.00 42.12 C ATOM 1123 CE3 TRP A 67 10.601 -15.318 -14.165 1.00 71.24 C ATOM 1124 CZ2 TRP A 67 7.888 -15.351 -14.958 1.00 11.32 C ATOM 1125 CZ3 TRP A 67 9.718 -16.260 -13.672 1.00 51.14 C ATOM 1126 CH2 TRP A 67 8.374 -16.271 -14.070 1.00 22.33 C ATOM 0 H TRP A 67 13.671 -11.814 -17.352 1.00 33.10 H new ATOM 0 HA TRP A 67 13.827 -14.190 -15.924 1.00 40.21 H new ATOM 0 HB2 TRP A 67 12.502 -12.903 -14.650 1.00 61.53 H new ATOM 0 HB3 TRP A 67 12.246 -11.793 -15.982 1.00 61.53 H new ATOM 0 HD1 TRP A 67 9.887 -11.852 -17.177 1.00 51.52 H new ATOM 0 HE1 TRP A 67 7.684 -13.150 -16.791 1.00 64.30 H new ATOM 0 HE3 TRP A 67 11.635 -15.318 -13.853 1.00 71.24 H new ATOM 0 HZ2 TRP A 67 6.852 -15.361 -15.263 1.00 11.32 H new ATOM 0 HZ3 TRP A 67 10.069 -17.000 -12.968 1.00 51.14 H new ATOM 0 HH2 TRP A 67 7.709 -17.021 -13.668 1.00 22.33 H new ATOM 1137 N ARG A 68 11.665 -14.287 -18.411 1.00 20.42 N ATOM 1138 CA ARG A 68 10.865 -15.187 -19.233 1.00 42.04 C ATOM 1139 C ARG A 68 11.759 -16.114 -20.052 1.00 31.43 C ATOM 1140 O ARG A 68 11.335 -17.193 -20.466 1.00 43.34 O ATOM 1141 CB ARG A 68 9.954 -14.386 -20.165 1.00 43.24 C ATOM 1142 CG ARG A 68 10.561 -14.126 -21.535 1.00 32.14 C ATOM 1143 CD ARG A 68 10.061 -12.817 -22.126 1.00 72.53 C ATOM 1144 NE ARG A 68 8.934 -13.022 -23.033 1.00 3.10 N ATOM 1145 CZ ARG A 68 8.281 -12.030 -23.628 1.00 73.32 C ATOM 1146 NH1 ARG A 68 8.640 -10.772 -23.414 1.00 21.21 N ATOM 1147 NH2 ARG A 68 7.266 -12.296 -24.440 1.00 74.52 N ATOM 0 H ARG A 68 11.680 -13.320 -18.735 1.00 20.42 H new ATOM 0 HA ARG A 68 10.251 -15.795 -18.569 1.00 42.04 H new ATOM 0 HB2 ARG A 68 9.014 -14.923 -20.290 1.00 43.24 H new ATOM 0 HB3 ARG A 68 9.716 -13.432 -19.695 1.00 43.24 H new ATOM 0 HG2 ARG A 68 11.648 -14.098 -21.453 1.00 32.14 H new ATOM 0 HG3 ARG A 68 10.313 -14.948 -22.206 1.00 32.14 H new ATOM 0 HD2 ARG A 68 9.761 -12.147 -21.321 1.00 72.53 H new ATOM 0 HD3 ARG A 68 10.874 -12.327 -22.662 1.00 72.53 H new ATOM 0 HE ARG A 68 8.632 -13.978 -23.219 1.00 3.10 H new ATOM 0 HH11 ARG A 68 9.420 -10.563 -22.791 1.00 21.21 H new ATOM 0 HH12 ARG A 68 8.136 -10.013 -23.873 1.00 21.21 H new ATOM 0 HH21 ARG A 68 6.987 -13.263 -24.608 1.00 74.52 H new ATOM 0 HH22 ARG A 68 6.765 -11.534 -24.897 1.00 74.52 H new ATOM 1161 N GLU A 69 12.996 -15.686 -20.280 1.00 4.11 N ATOM 1162 CA GLU A 69 13.948 -16.478 -21.050 1.00 5.22 C ATOM 1163 C GLU A 69 14.451 -17.667 -20.236 1.00 2.42 C ATOM 1164 O GLU A 69 14.637 -18.763 -20.766 1.00 45.41 O ATOM 1165 CB GLU A 69 15.130 -15.610 -21.489 1.00 71.31 C ATOM 1166 CG GLU A 69 16.314 -16.411 -22.004 1.00 43.43 C ATOM 1167 CD GLU A 69 15.951 -17.302 -23.176 1.00 12.01 C ATOM 1168 OE1 GLU A 69 15.327 -16.799 -24.133 1.00 71.25 O ATOM 1169 OE2 GLU A 69 16.291 -18.503 -23.135 1.00 30.04 O ATOM 0 H GLU A 69 13.363 -14.796 -19.943 1.00 4.11 H new ATOM 0 HA GLU A 69 13.435 -16.856 -21.935 1.00 5.22 H new ATOM 0 HB2 GLU A 69 14.798 -14.926 -22.270 1.00 71.31 H new ATOM 0 HB3 GLU A 69 15.454 -14.999 -20.647 1.00 71.31 H new ATOM 0 HG2 GLU A 69 17.107 -15.727 -22.305 1.00 43.43 H new ATOM 0 HG3 GLU A 69 16.712 -17.025 -21.196 1.00 43.43 H new ATOM 1176 N LEU A 70 14.670 -17.442 -18.945 1.00 13.11 N ATOM 1177 CA LEU A 70 15.152 -18.493 -18.056 1.00 74.50 C ATOM 1178 C LEU A 70 14.027 -19.459 -17.695 1.00 63.24 C ATOM 1179 O LEU A 70 14.252 -20.660 -17.547 1.00 10.10 O ATOM 1180 CB LEU A 70 15.742 -17.882 -16.784 1.00 61.50 C ATOM 1181 CG LEU A 70 16.606 -16.635 -16.977 1.00 34.42 C ATOM 1182 CD1 LEU A 70 16.513 -15.729 -15.759 1.00 43.23 C ATOM 1183 CD2 LEU A 70 18.052 -17.025 -17.246 1.00 10.52 C ATOM 0 H LEU A 70 14.521 -16.541 -18.491 1.00 13.11 H new ATOM 0 HA LEU A 70 15.930 -19.049 -18.579 1.00 74.50 H new ATOM 0 HB2 LEU A 70 14.922 -17.631 -16.111 1.00 61.50 H new ATOM 0 HB3 LEU A 70 16.343 -18.642 -16.285 1.00 61.50 H new ATOM 0 HG LEU A 70 16.232 -16.086 -17.842 1.00 34.42 H new ATOM 0 HD11 LEU A 70 17.134 -14.847 -15.914 1.00 43.23 H new ATOM 0 HD12 LEU A 70 15.477 -15.423 -15.612 1.00 43.23 H new ATOM 0 HD13 LEU A 70 16.861 -16.268 -14.878 1.00 43.23 H new ATOM 0 HD21 LEU A 70 18.652 -16.125 -17.381 1.00 10.52 H new ATOM 0 HD22 LEU A 70 18.438 -17.596 -16.401 1.00 10.52 H new ATOM 0 HD23 LEU A 70 18.103 -17.634 -18.149 1.00 10.52 H new ATOM 1195 N GLU A 71 12.817 -18.926 -17.558 1.00 63.11 N ATOM 1196 CA GLU A 71 11.658 -19.742 -17.216 1.00 41.04 C ATOM 1197 C GLU A 71 11.252 -20.629 -18.390 1.00 11.20 C ATOM 1198 O GLU A 71 10.669 -21.696 -18.202 1.00 63.31 O ATOM 1199 CB GLU A 71 10.483 -18.852 -16.805 1.00 44.22 C ATOM 1200 CG GLU A 71 9.312 -19.622 -16.220 1.00 32.13 C ATOM 1201 CD GLU A 71 7.993 -18.892 -16.384 1.00 70.14 C ATOM 1202 OE1 GLU A 71 7.730 -18.383 -17.494 1.00 63.51 O ATOM 1203 OE2 GLU A 71 7.223 -18.830 -15.403 1.00 24.13 O ATOM 0 H GLU A 71 12.614 -17.934 -17.678 1.00 63.11 H new ATOM 0 HA GLU A 71 11.931 -20.382 -16.377 1.00 41.04 H new ATOM 0 HB2 GLU A 71 10.829 -18.123 -16.073 1.00 44.22 H new ATOM 0 HB3 GLU A 71 10.140 -18.292 -17.675 1.00 44.22 H new ATOM 0 HG2 GLU A 71 9.246 -20.597 -16.703 1.00 32.13 H new ATOM 0 HG3 GLU A 71 9.494 -19.803 -15.161 1.00 32.13 H new ATOM 1210 N MET A 72 11.564 -20.178 -19.601 1.00 13.45 N ATOM 1211 CA MET A 72 11.232 -20.930 -20.805 1.00 31.01 C ATOM 1212 C MET A 72 12.357 -21.892 -21.172 1.00 63.11 C ATOM 1213 O MET A 72 12.130 -22.906 -21.832 1.00 64.32 O ATOM 1214 CB MET A 72 10.961 -19.976 -21.970 1.00 15.14 C ATOM 1215 CG MET A 72 12.210 -19.291 -22.498 1.00 4.43 C ATOM 1216 SD MET A 72 11.895 -18.321 -23.985 1.00 62.20 S ATOM 1217 CE MET A 72 12.484 -19.443 -25.251 1.00 44.33 C ATOM 0 H MET A 72 12.046 -19.296 -19.774 1.00 13.45 H new ATOM 0 HA MET A 72 10.332 -21.511 -20.604 1.00 31.01 H new ATOM 0 HB2 MET A 72 10.491 -20.531 -22.782 1.00 15.14 H new ATOM 0 HB3 MET A 72 10.248 -19.216 -21.649 1.00 15.14 H new ATOM 0 HG2 MET A 72 12.617 -18.640 -21.724 1.00 4.43 H new ATOM 0 HG3 MET A 72 12.969 -20.043 -22.714 1.00 4.43 H new ATOM 0 HE1 MET A 72 12.356 -18.985 -26.232 1.00 44.33 H new ATOM 0 HE2 MET A 72 13.540 -19.657 -25.085 1.00 44.33 H new ATOM 0 HE3 MET A 72 11.915 -20.372 -25.208 1.00 44.33 H new ATOM 1227 N LYS A 73 13.571 -21.567 -20.741 1.00 24.51 N ATOM 1228 CA LYS A 73 14.733 -22.403 -21.023 1.00 52.30 C ATOM 1229 C LYS A 73 14.891 -23.489 -19.964 1.00 64.55 C ATOM 1230 O LYS A 73 15.685 -24.416 -20.127 1.00 4.45 O ATOM 1231 CB LYS A 73 16.000 -21.547 -21.084 1.00 52.51 C ATOM 1232 CG LYS A 73 16.654 -21.332 -19.730 1.00 44.55 C ATOM 1233 CD LYS A 73 17.799 -20.335 -19.816 1.00 74.54 C ATOM 1234 CE LYS A 73 19.050 -20.973 -20.400 1.00 70.13 C ATOM 1235 NZ LYS A 73 19.151 -20.752 -21.869 1.00 62.25 N ATOM 0 H LYS A 73 13.776 -20.730 -20.195 1.00 24.51 H new ATOM 0 HA LYS A 73 14.579 -22.882 -21.990 1.00 52.30 H new ATOM 0 HB2 LYS A 73 16.717 -22.022 -21.753 1.00 52.51 H new ATOM 0 HB3 LYS A 73 15.753 -20.578 -21.517 1.00 52.51 H new ATOM 0 HG2 LYS A 73 15.910 -20.973 -19.019 1.00 44.55 H new ATOM 0 HG3 LYS A 73 17.026 -22.283 -19.349 1.00 44.55 H new ATOM 0 HD2 LYS A 73 17.500 -19.488 -20.433 1.00 74.54 H new ATOM 0 HD3 LYS A 73 18.018 -19.944 -18.822 1.00 74.54 H new ATOM 0 HE2 LYS A 73 19.931 -20.560 -19.909 1.00 70.13 H new ATOM 0 HE3 LYS A 73 19.042 -22.043 -20.193 1.00 70.13 H new ATOM 0 HZ1 LYS A 73 19.500 -21.618 -22.327 1.00 62.25 H new ATOM 0 HZ2 LYS A 73 18.213 -20.513 -22.249 1.00 62.25 H new ATOM 0 HZ3 LYS A 73 19.811 -19.971 -22.058 1.00 62.25 H new ATOM 1249 N ALA A 74 14.130 -23.370 -18.882 1.00 20.22 N ATOM 1250 CA ALA A 74 14.184 -24.344 -17.799 1.00 20.42 C ATOM 1251 C ALA A 74 13.525 -25.657 -18.208 1.00 62.31 C ATOM 1252 O ALA A 74 13.481 -26.610 -17.429 1.00 53.42 O ATOM 1253 CB ALA A 74 13.518 -23.784 -16.551 1.00 52.10 C ATOM 0 H ALA A 74 13.468 -22.608 -18.732 1.00 20.22 H new ATOM 0 HA ALA A 74 15.232 -24.547 -17.578 1.00 20.42 H new ATOM 0 HB1 ALA A 74 13.566 -24.522 -15.751 1.00 52.10 H new ATOM 0 HB2 ALA A 74 14.035 -22.876 -16.239 1.00 52.10 H new ATOM 0 HB3 ALA A 74 12.475 -23.551 -16.768 1.00 52.10 H new ATOM 1259 N ARG A 75 13.014 -25.701 -19.434 1.00 43.42 N ATOM 1260 CA ARG A 75 12.356 -26.897 -19.946 1.00 10.42 C ATOM 1261 C ARG A 75 11.342 -27.432 -18.939 1.00 52.30 C ATOM 1262 O ARG A 75 11.095 -28.636 -18.870 1.00 25.04 O ATOM 1263 CB ARG A 75 13.391 -27.977 -20.267 1.00 12.45 C ATOM 1264 CG ARG A 75 14.122 -27.749 -21.580 1.00 34.13 C ATOM 1265 CD ARG A 75 13.266 -28.152 -22.770 1.00 60.24 C ATOM 1266 NE ARG A 75 13.160 -29.603 -22.902 1.00 41.23 N ATOM 1267 CZ ARG A 75 12.499 -30.205 -23.884 1.00 73.14 C ATOM 1268 NH1 ARG A 75 11.888 -29.486 -24.816 1.00 2.43 N ATOM 1269 NH2 ARG A 75 12.448 -31.530 -23.936 1.00 74.04 N ATOM 0 H ARG A 75 13.043 -24.922 -20.091 1.00 43.42 H new ATOM 0 HA ARG A 75 11.827 -26.628 -20.860 1.00 10.42 H new ATOM 0 HB2 ARG A 75 14.120 -28.021 -19.458 1.00 12.45 H new ATOM 0 HB3 ARG A 75 12.894 -28.946 -20.301 1.00 12.45 H new ATOM 0 HG2 ARG A 75 14.397 -26.698 -21.667 1.00 34.13 H new ATOM 0 HG3 ARG A 75 15.049 -28.322 -21.586 1.00 34.13 H new ATOM 0 HD2 ARG A 75 12.269 -27.724 -22.661 1.00 60.24 H new ATOM 0 HD3 ARG A 75 13.694 -27.735 -23.682 1.00 60.24 H new ATOM 0 HE ARG A 75 13.619 -30.186 -22.202 1.00 41.23 H new ATOM 0 HH11 ARG A 75 11.925 -28.467 -24.780 1.00 2.43 H new ATOM 0 HH12 ARG A 75 11.381 -29.952 -25.569 1.00 2.43 H new ATOM 0 HH21 ARG A 75 12.917 -32.087 -23.221 1.00 74.04 H new ATOM 0 HH22 ARG A 75 11.940 -31.992 -24.691 1.00 74.04 H new ATOM 1283 N LYS A 76 10.757 -26.529 -18.160 1.00 14.43 N ATOM 1284 CA LYS A 76 9.769 -26.908 -17.157 1.00 14.02 C ATOM 1285 C LYS A 76 9.263 -25.684 -16.400 1.00 45.42 C ATOM 1286 O LYS A 76 10.041 -24.799 -16.042 1.00 24.33 O ATOM 1287 CB LYS A 76 10.370 -27.915 -16.174 1.00 71.52 C ATOM 1288 CG LYS A 76 9.429 -29.053 -15.817 1.00 53.20 C ATOM 1289 CD LYS A 76 9.153 -29.946 -17.015 1.00 65.00 C ATOM 1290 CE LYS A 76 8.345 -31.173 -16.622 1.00 14.44 C ATOM 1291 NZ LYS A 76 7.745 -31.845 -17.807 1.00 73.02 N ATOM 0 H LYS A 76 10.950 -25.528 -18.204 1.00 14.43 H new ATOM 0 HA LYS A 76 8.926 -27.369 -17.671 1.00 14.02 H new ATOM 0 HB2 LYS A 76 11.282 -28.330 -16.604 1.00 71.52 H new ATOM 0 HB3 LYS A 76 10.657 -27.392 -15.262 1.00 71.52 H new ATOM 0 HG2 LYS A 76 9.863 -29.646 -15.012 1.00 53.20 H new ATOM 0 HG3 LYS A 76 8.490 -28.646 -15.442 1.00 53.20 H new ATOM 0 HD2 LYS A 76 8.612 -29.381 -17.774 1.00 65.00 H new ATOM 0 HD3 LYS A 76 10.097 -30.259 -17.462 1.00 65.00 H new ATOM 0 HE2 LYS A 76 8.987 -31.876 -16.092 1.00 14.44 H new ATOM 0 HE3 LYS A 76 7.554 -30.881 -15.931 1.00 14.44 H new ATOM 0 HZ1 LYS A 76 7.202 -32.676 -17.497 1.00 73.02 H new ATOM 0 HZ2 LYS A 76 7.112 -31.182 -18.299 1.00 73.02 H new ATOM 0 HZ3 LYS A 76 8.501 -32.147 -18.455 1.00 73.02 H new ATOM 1305 N ARG A 77 7.957 -25.640 -16.160 1.00 2.43 N ATOM 1306 CA ARG A 77 7.349 -24.524 -15.445 1.00 41.43 C ATOM 1307 C ARG A 77 7.563 -24.660 -13.941 1.00 34.14 C ATOM 1308 O ARG A 77 6.810 -25.355 -13.256 1.00 41.04 O ATOM 1309 CB ARG A 77 5.853 -24.447 -15.754 1.00 73.40 C ATOM 1310 CG ARG A 77 5.532 -23.693 -17.034 1.00 65.11 C ATOM 1311 CD ARG A 77 5.739 -22.196 -16.865 1.00 12.00 C ATOM 1312 NE ARG A 77 5.124 -21.433 -17.948 1.00 43.11 N ATOM 1313 CZ ARG A 77 5.669 -21.297 -19.152 1.00 73.01 C ATOM 1314 NH1 ARG A 77 6.833 -21.870 -19.426 1.00 35.24 N ATOM 1315 NH2 ARG A 77 5.048 -20.587 -20.086 1.00 4.23 N ATOM 0 H ARG A 77 7.299 -26.364 -16.450 1.00 2.43 H new ATOM 0 HA ARG A 77 7.830 -23.605 -15.781 1.00 41.43 H new ATOM 0 HB2 ARG A 77 5.454 -25.459 -15.829 1.00 73.40 H new ATOM 0 HB3 ARG A 77 5.343 -23.964 -14.920 1.00 73.40 H new ATOM 0 HG2 ARG A 77 6.165 -24.060 -17.842 1.00 65.11 H new ATOM 0 HG3 ARG A 77 4.499 -23.888 -17.324 1.00 65.11 H new ATOM 0 HD2 ARG A 77 5.317 -21.877 -15.912 1.00 12.00 H new ATOM 0 HD3 ARG A 77 6.807 -21.979 -16.830 1.00 12.00 H new ATOM 0 HE ARG A 77 4.228 -20.980 -17.770 1.00 43.11 H new ATOM 0 HH11 ARG A 77 7.313 -22.417 -18.711 1.00 35.24 H new ATOM 0 HH12 ARG A 77 7.249 -21.764 -20.351 1.00 35.24 H new ATOM 0 HH21 ARG A 77 4.152 -20.146 -19.879 1.00 4.23 H new ATOM 0 HH22 ARG A 77 5.467 -20.483 -21.010 1.00 4.23 H new ATOM 1329 N LEU A 78 8.593 -23.993 -13.432 1.00 32.52 N ATOM 1330 CA LEU A 78 8.906 -24.040 -12.008 1.00 23.32 C ATOM 1331 C LEU A 78 7.662 -23.773 -11.167 1.00 40.22 C ATOM 1332 O LEU A 78 6.714 -23.122 -11.607 1.00 1.43 O ATOM 1333 CB LEU A 78 9.993 -23.018 -11.671 1.00 10.21 C ATOM 1334 CG LEU A 78 11.428 -23.546 -11.647 1.00 73.13 C ATOM 1335 CD1 LEU A 78 11.687 -24.440 -12.850 1.00 42.22 C ATOM 1336 CD2 LEU A 78 12.420 -22.393 -11.613 1.00 62.13 C ATOM 0 H LEU A 78 9.225 -23.413 -13.984 1.00 32.52 H new ATOM 0 HA LEU A 78 9.271 -25.040 -11.774 1.00 23.32 H new ATOM 0 HB2 LEU A 78 9.938 -22.207 -12.397 1.00 10.21 H new ATOM 0 HB3 LEU A 78 9.769 -22.588 -10.695 1.00 10.21 H new ATOM 0 HG LEU A 78 11.562 -24.140 -10.743 1.00 73.13 H new ATOM 0 HD11 LEU A 78 12.713 -24.807 -12.817 1.00 42.22 H new ATOM 0 HD12 LEU A 78 10.999 -25.285 -12.830 1.00 42.22 H new ATOM 0 HD13 LEU A 78 11.535 -23.870 -13.766 1.00 42.22 H new ATOM 0 HD21 LEU A 78 13.436 -22.788 -11.596 1.00 62.13 H new ATOM 0 HD22 LEU A 78 12.286 -21.772 -12.499 1.00 62.13 H new ATOM 0 HD23 LEU A 78 12.249 -21.792 -10.720 1.00 62.13 H new ATOM 1348 N PRO A 79 7.664 -24.285 -9.927 1.00 52.44 N ATOM 1349 CA PRO A 79 6.544 -24.112 -8.998 1.00 14.41 C ATOM 1350 C PRO A 79 6.413 -22.673 -8.509 1.00 74.03 C ATOM 1351 O PRO A 79 5.435 -22.316 -7.851 1.00 50.10 O ATOM 1352 CB PRO A 79 6.901 -25.041 -7.835 1.00 53.21 C ATOM 1353 CG PRO A 79 8.385 -25.155 -7.883 1.00 43.34 C ATOM 1354 CD PRO A 79 8.760 -25.071 -9.337 1.00 71.33 C ATOM 0 HA PRO A 79 5.587 -24.341 -9.467 1.00 14.41 H new ATOM 0 HB2 PRO A 79 6.566 -24.630 -6.883 1.00 53.21 H new ATOM 0 HB3 PRO A 79 6.425 -26.015 -7.946 1.00 53.21 H new ATOM 0 HG2 PRO A 79 8.856 -24.355 -7.312 1.00 43.34 H new ATOM 0 HG3 PRO A 79 8.718 -26.097 -7.448 1.00 43.34 H new ATOM 0 HD2 PRO A 79 9.725 -24.583 -9.476 1.00 71.33 H new ATOM 0 HD3 PRO A 79 8.835 -26.059 -9.790 1.00 71.33 H new ATOM 1362 N THR A 80 7.404 -21.849 -8.836 1.00 32.31 N ATOM 1363 CA THR A 80 7.400 -20.450 -8.430 1.00 15.42 C ATOM 1364 C THR A 80 7.549 -19.527 -9.634 1.00 60.22 C ATOM 1365 O THR A 80 8.147 -19.899 -10.644 1.00 63.14 O ATOM 1366 CB THR A 80 8.530 -20.152 -7.426 1.00 72.34 C ATOM 1367 OG1 THR A 80 8.737 -18.739 -7.327 1.00 23.02 O ATOM 1368 CG2 THR A 80 9.823 -20.831 -7.851 1.00 61.25 C ATOM 0 H THR A 80 8.220 -22.127 -9.381 1.00 32.31 H new ATOM 0 HA THR A 80 6.439 -20.264 -7.950 1.00 15.42 H new ATOM 0 HB THR A 80 8.235 -20.544 -6.453 1.00 72.34 H new ATOM 0 HG1 THR A 80 8.740 -18.474 -6.383 1.00 23.02 H new ATOM 0 HG21 THR A 80 10.607 -20.607 -7.127 1.00 61.25 H new ATOM 0 HG22 THR A 80 9.670 -21.909 -7.897 1.00 61.25 H new ATOM 0 HG23 THR A 80 10.121 -20.464 -8.833 1.00 61.25 H new ATOM 1376 N THR A 81 7.002 -18.321 -9.521 1.00 40.35 N ATOM 1377 CA THR A 81 7.074 -17.345 -10.601 1.00 43.25 C ATOM 1378 C THR A 81 8.035 -16.213 -10.256 1.00 43.04 C ATOM 1379 O THR A 81 8.551 -15.531 -11.143 1.00 3.11 O ATOM 1380 CB THR A 81 5.689 -16.749 -10.914 1.00 35.10 C ATOM 1381 OG1 THR A 81 4.705 -17.789 -10.948 1.00 73.04 O ATOM 1382 CG2 THR A 81 5.703 -16.014 -12.246 1.00 4.14 C ATOM 0 H THR A 81 6.504 -17.997 -8.692 1.00 40.35 H new ATOM 0 HA THR A 81 7.440 -17.874 -11.480 1.00 43.25 H new ATOM 0 HB THR A 81 5.439 -16.037 -10.128 1.00 35.10 H new ATOM 0 HG1 THR A 81 3.827 -17.402 -11.146 1.00 73.04 H new ATOM 0 HG21 THR A 81 4.714 -15.602 -12.445 1.00 4.14 H new ATOM 0 HG22 THR A 81 6.432 -15.205 -12.207 1.00 4.14 H new ATOM 0 HG23 THR A 81 5.974 -16.708 -13.042 1.00 4.14 H new ATOM 1390 N LEU A 82 8.273 -16.018 -8.964 1.00 73.20 N ATOM 1391 CA LEU A 82 9.174 -14.968 -8.501 1.00 74.23 C ATOM 1392 C LEU A 82 10.518 -15.552 -8.078 1.00 13.34 C ATOM 1393 O LEU A 82 10.882 -15.509 -6.902 1.00 60.23 O ATOM 1394 CB LEU A 82 8.544 -14.207 -7.333 1.00 42.03 C ATOM 1395 CG LEU A 82 7.497 -13.156 -7.703 1.00 73.45 C ATOM 1396 CD1 LEU A 82 6.914 -12.519 -6.452 1.00 21.35 C ATOM 1397 CD2 LEU A 82 8.103 -12.096 -8.611 1.00 54.13 C ATOM 0 H LEU A 82 7.855 -16.573 -8.218 1.00 73.20 H new ATOM 0 HA LEU A 82 9.343 -14.277 -9.327 1.00 74.23 H new ATOM 0 HB2 LEU A 82 8.082 -14.930 -6.661 1.00 42.03 H new ATOM 0 HB3 LEU A 82 9.340 -13.716 -6.774 1.00 42.03 H new ATOM 0 HG LEU A 82 6.690 -13.650 -8.243 1.00 73.45 H new ATOM 0 HD11 LEU A 82 6.171 -11.774 -6.736 1.00 21.35 H new ATOM 0 HD12 LEU A 82 6.442 -13.287 -5.839 1.00 21.35 H new ATOM 0 HD13 LEU A 82 7.710 -12.039 -5.883 1.00 21.35 H new ATOM 0 HD21 LEU A 82 7.343 -11.356 -8.864 1.00 54.13 H new ATOM 0 HD22 LEU A 82 8.930 -11.606 -8.097 1.00 54.13 H new ATOM 0 HD23 LEU A 82 8.471 -12.565 -9.523 1.00 54.13 H new ATOM 1409 N PHE A 83 11.252 -16.095 -9.043 1.00 41.51 N ATOM 1410 CA PHE A 83 12.557 -16.686 -8.770 1.00 40.55 C ATOM 1411 C PHE A 83 13.645 -16.008 -9.599 1.00 33.10 C ATOM 1412 O PHE A 83 13.371 -15.436 -10.654 1.00 41.22 O ATOM 1413 CB PHE A 83 12.533 -18.186 -9.069 1.00 22.12 C ATOM 1414 CG PHE A 83 12.175 -18.509 -10.491 1.00 51.12 C ATOM 1415 CD1 PHE A 83 13.047 -18.208 -11.525 1.00 23.23 C ATOM 1416 CD2 PHE A 83 10.965 -19.113 -10.795 1.00 3.31 C ATOM 1417 CE1 PHE A 83 12.721 -18.504 -12.835 1.00 31.22 C ATOM 1418 CE2 PHE A 83 10.634 -19.411 -12.103 1.00 34.41 C ATOM 1419 CZ PHE A 83 11.512 -19.106 -13.124 1.00 52.32 C ATOM 0 H PHE A 83 10.966 -16.138 -10.021 1.00 41.51 H new ATOM 0 HA PHE A 83 12.783 -16.536 -7.714 1.00 40.55 H new ATOM 0 HB2 PHE A 83 13.512 -18.609 -8.845 1.00 22.12 H new ATOM 0 HB3 PHE A 83 11.817 -18.669 -8.404 1.00 22.12 H new ATOM 0 HD1 PHE A 83 13.993 -17.736 -11.304 1.00 23.23 H new ATOM 0 HD2 PHE A 83 10.274 -19.353 -10.001 1.00 3.31 H new ATOM 0 HE1 PHE A 83 13.410 -18.265 -13.631 1.00 31.22 H new ATOM 0 HE2 PHE A 83 9.688 -19.883 -12.327 1.00 34.41 H new ATOM 0 HZ PHE A 83 11.254 -19.338 -14.147 1.00 52.32 H new ATOM 1429 N PHE A 84 14.879 -16.077 -9.113 1.00 5.33 N ATOM 1430 CA PHE A 84 16.009 -15.469 -9.806 1.00 62.13 C ATOM 1431 C PHE A 84 17.143 -16.475 -9.984 1.00 50.30 C ATOM 1432 O PHE A 84 17.058 -17.611 -9.517 1.00 11.11 O ATOM 1433 CB PHE A 84 16.512 -14.248 -9.034 1.00 40.31 C ATOM 1434 CG PHE A 84 16.288 -12.949 -9.755 1.00 2.03 C ATOM 1435 CD1 PHE A 84 15.034 -12.361 -9.777 1.00 12.02 C ATOM 1436 CD2 PHE A 84 17.332 -12.316 -10.410 1.00 62.54 C ATOM 1437 CE1 PHE A 84 14.824 -11.166 -10.439 1.00 5.33 C ATOM 1438 CE2 PHE A 84 17.129 -11.121 -11.073 1.00 71.05 C ATOM 1439 CZ PHE A 84 15.873 -10.546 -11.089 1.00 3.43 C ATOM 0 H PHE A 84 15.123 -16.548 -8.242 1.00 5.33 H new ATOM 0 HA PHE A 84 15.670 -15.152 -10.792 1.00 62.13 H new ATOM 0 HB2 PHE A 84 16.012 -14.208 -8.066 1.00 40.31 H new ATOM 0 HB3 PHE A 84 17.578 -14.366 -8.837 1.00 40.31 H new ATOM 0 HD1 PHE A 84 14.210 -12.842 -9.271 1.00 12.02 H new ATOM 0 HD2 PHE A 84 18.316 -12.762 -10.402 1.00 62.54 H new ATOM 0 HE1 PHE A 84 13.841 -10.718 -10.448 1.00 5.33 H new ATOM 0 HE2 PHE A 84 17.952 -10.637 -11.578 1.00 71.05 H new ATOM 0 HZ PHE A 84 15.712 -9.613 -11.609 1.00 3.43 H new ATOM 1449 N ILE A 85 18.203 -16.048 -10.663 1.00 32.44 N ATOM 1450 CA ILE A 85 19.354 -16.911 -10.902 1.00 15.52 C ATOM 1451 C ILE A 85 20.613 -16.337 -10.261 1.00 33.25 C ATOM 1452 O ILE A 85 20.763 -15.122 -10.144 1.00 15.54 O ATOM 1453 CB ILE A 85 19.604 -17.111 -12.408 1.00 53.52 C ATOM 1454 CG1 ILE A 85 20.029 -15.791 -13.056 1.00 64.53 C ATOM 1455 CG2 ILE A 85 18.356 -17.661 -13.084 1.00 5.42 C ATOM 1456 CD1 ILE A 85 20.358 -15.919 -14.527 1.00 73.23 C ATOM 0 H ILE A 85 18.289 -15.111 -11.057 1.00 32.44 H new ATOM 0 HA ILE A 85 19.125 -17.876 -10.449 1.00 15.52 H new ATOM 0 HB ILE A 85 20.411 -17.833 -12.535 1.00 53.52 H new ATOM 0 HG12 ILE A 85 19.229 -15.061 -12.933 1.00 64.53 H new ATOM 0 HG13 ILE A 85 20.900 -15.401 -12.530 1.00 64.53 H new ATOM 0 HG21 ILE A 85 18.549 -17.797 -14.148 1.00 5.42 H new ATOM 0 HG22 ILE A 85 18.093 -18.620 -12.637 1.00 5.42 H new ATOM 0 HG23 ILE A 85 17.532 -16.961 -12.951 1.00 5.42 H new ATOM 0 HD11 ILE A 85 20.651 -14.946 -14.920 1.00 73.23 H new ATOM 0 HD12 ILE A 85 21.179 -16.625 -14.656 1.00 73.23 H new ATOM 0 HD13 ILE A 85 19.482 -16.279 -15.066 1.00 73.23 H new ATOM 1468 N GLU A 86 21.516 -17.222 -9.848 1.00 53.44 N ATOM 1469 CA GLU A 86 22.763 -16.802 -9.220 1.00 31.51 C ATOM 1470 C GLU A 86 23.595 -15.952 -10.175 1.00 53.24 C ATOM 1471 O GLU A 86 24.368 -15.093 -9.749 1.00 31.41 O ATOM 1472 CB GLU A 86 23.570 -18.023 -8.772 1.00 73.24 C ATOM 1473 CG GLU A 86 24.827 -17.670 -7.995 1.00 34.40 C ATOM 1474 CD GLU A 86 24.867 -18.320 -6.626 1.00 23.44 C ATOM 1475 OE1 GLU A 86 23.797 -18.435 -5.992 1.00 1.42 O ATOM 1476 OE2 GLU A 86 25.968 -18.714 -6.188 1.00 22.43 O ATOM 0 H GLU A 86 21.407 -18.232 -9.937 1.00 53.44 H new ATOM 0 HA GLU A 86 22.515 -16.198 -8.347 1.00 31.51 H new ATOM 0 HB2 GLU A 86 22.937 -18.659 -8.153 1.00 73.24 H new ATOM 0 HB3 GLU A 86 23.847 -18.607 -9.650 1.00 73.24 H new ATOM 0 HG2 GLU A 86 25.702 -17.980 -8.566 1.00 34.40 H new ATOM 0 HG3 GLU A 86 24.888 -16.588 -7.881 1.00 34.40 H new ATOM 1483 N THR A 87 23.431 -16.197 -11.472 1.00 12.51 N ATOM 1484 CA THR A 87 24.167 -15.456 -12.489 1.00 14.44 C ATOM 1485 C THR A 87 23.721 -13.999 -12.537 1.00 50.44 C ATOM 1486 O THR A 87 24.339 -13.173 -13.209 1.00 41.33 O ATOM 1487 CB THR A 87 23.984 -16.083 -13.883 1.00 63.43 C ATOM 1488 OG1 THR A 87 22.936 -17.059 -13.848 1.00 45.34 O ATOM 1489 CG2 THR A 87 25.275 -16.735 -14.356 1.00 50.14 C ATOM 0 H THR A 87 22.795 -16.903 -11.842 1.00 12.51 H new ATOM 0 HA THR A 87 25.221 -15.502 -12.214 1.00 14.44 H new ATOM 0 HB THR A 87 23.718 -15.290 -14.582 1.00 63.43 H new ATOM 0 HG1 THR A 87 23.028 -17.665 -14.612 1.00 45.34 H new ATOM 0 HG21 THR A 87 25.122 -17.171 -15.343 1.00 50.14 H new ATOM 0 HG22 THR A 87 26.063 -15.984 -14.409 1.00 50.14 H new ATOM 0 HG23 THR A 87 25.566 -17.517 -13.655 1.00 50.14 H new ATOM 1497 N ASP A 88 22.646 -13.690 -11.821 1.00 53.53 N ATOM 1498 CA ASP A 88 22.118 -12.331 -11.782 1.00 2.54 C ATOM 1499 C ASP A 88 22.323 -11.708 -10.404 1.00 34.31 C ATOM 1500 O ASP A 88 21.898 -10.580 -10.152 1.00 73.24 O ATOM 1501 CB ASP A 88 20.632 -12.327 -12.141 1.00 15.00 C ATOM 1502 CG ASP A 88 20.353 -11.608 -13.446 1.00 62.03 C ATOM 1503 OD1 ASP A 88 20.998 -10.569 -13.701 1.00 62.22 O ATOM 1504 OD2 ASP A 88 19.491 -12.085 -14.213 1.00 50.45 O ATOM 0 H ASP A 88 22.123 -14.362 -11.260 1.00 53.53 H new ATOM 0 HA ASP A 88 22.662 -11.735 -12.515 1.00 2.54 H new ATOM 0 HB2 ASP A 88 20.276 -13.355 -12.213 1.00 15.00 H new ATOM 0 HB3 ASP A 88 20.069 -11.850 -11.339 1.00 15.00 H new ATOM 1509 N ILE A 89 22.974 -12.451 -9.516 1.00 24.03 N ATOM 1510 CA ILE A 89 23.235 -11.972 -8.164 1.00 12.11 C ATOM 1511 C ILE A 89 24.724 -12.020 -7.841 1.00 23.11 C ATOM 1512 O ILE A 89 25.266 -11.103 -7.224 1.00 0.30 O ATOM 1513 CB ILE A 89 22.467 -12.799 -7.116 1.00 14.41 C ATOM 1514 CG1 ILE A 89 20.995 -12.926 -7.514 1.00 32.21 C ATOM 1515 CG2 ILE A 89 22.596 -12.161 -5.740 1.00 74.44 C ATOM 1516 CD1 ILE A 89 20.250 -11.610 -7.503 1.00 54.13 C ATOM 0 H ILE A 89 23.331 -13.387 -9.708 1.00 24.03 H new ATOM 0 HA ILE A 89 22.890 -10.939 -8.124 1.00 12.11 H new ATOM 0 HB ILE A 89 22.900 -13.798 -7.074 1.00 14.41 H new ATOM 0 HG12 ILE A 89 20.933 -13.361 -8.512 1.00 32.21 H new ATOM 0 HG13 ILE A 89 20.501 -13.619 -6.833 1.00 32.21 H new ATOM 0 HG21 ILE A 89 22.048 -12.757 -5.010 1.00 74.44 H new ATOM 0 HG22 ILE A 89 23.648 -12.117 -5.457 1.00 74.44 H new ATOM 0 HG23 ILE A 89 22.185 -11.152 -5.767 1.00 74.44 H new ATOM 0 HD11 ILE A 89 19.213 -11.776 -7.795 1.00 54.13 H new ATOM 0 HD12 ILE A 89 20.280 -11.183 -6.501 1.00 54.13 H new ATOM 0 HD13 ILE A 89 20.719 -10.921 -8.205 1.00 54.13 H new ATOM 1528 N ARG A 90 25.381 -13.095 -8.263 1.00 63.35 N ATOM 1529 CA ARG A 90 26.809 -13.263 -8.020 1.00 31.02 C ATOM 1530 C ARG A 90 27.599 -12.088 -8.587 1.00 41.45 C ATOM 1531 O ARG A 90 28.291 -11.367 -7.867 1.00 72.25 O ATOM 1532 CB ARG A 90 27.304 -14.571 -8.640 1.00 75.01 C ATOM 1533 CG ARG A 90 27.854 -15.557 -7.623 1.00 64.32 C ATOM 1534 CD ARG A 90 29.375 -15.582 -7.638 1.00 52.01 C ATOM 1535 NE ARG A 90 29.901 -16.165 -8.870 1.00 13.14 N ATOM 1536 CZ ARG A 90 31.192 -16.185 -9.180 1.00 21.41 C ATOM 1537 NH1 ARG A 90 32.084 -15.659 -8.353 1.00 5.32 N ATOM 1538 NH2 ARG A 90 31.593 -16.734 -10.319 1.00 62.24 N ATOM 0 H ARG A 90 24.947 -13.863 -8.775 1.00 63.35 H new ATOM 0 HA ARG A 90 26.966 -13.298 -6.942 1.00 31.02 H new ATOM 0 HB2 ARG A 90 26.482 -15.040 -9.181 1.00 75.01 H new ATOM 0 HB3 ARG A 90 28.080 -14.346 -9.372 1.00 75.01 H new ATOM 0 HG2 ARG A 90 27.503 -15.288 -6.627 1.00 64.32 H new ATOM 0 HG3 ARG A 90 27.470 -16.555 -7.837 1.00 64.32 H new ATOM 0 HD2 ARG A 90 29.755 -14.567 -7.526 1.00 52.01 H new ATOM 0 HD3 ARG A 90 29.737 -16.154 -6.783 1.00 52.01 H new ATOM 0 HE ARG A 90 29.241 -16.579 -9.528 1.00 13.14 H new ATOM 0 HH11 ARG A 90 31.780 -15.237 -7.476 1.00 5.32 H new ATOM 0 HH12 ARG A 90 33.075 -15.676 -8.594 1.00 5.32 H new ATOM 0 HH21 ARG A 90 30.909 -17.141 -10.957 1.00 62.24 H new ATOM 0 HH22 ARG A 90 32.585 -16.749 -10.557 1.00 62.24 H new ATOM 1552 N PRO A 91 27.496 -11.888 -9.910 1.00 32.31 N ATOM 1553 CA PRO A 91 28.194 -10.802 -10.604 1.00 13.35 C ATOM 1554 C PRO A 91 27.625 -9.431 -10.253 1.00 51.15 C ATOM 1555 O PRO A 91 27.825 -8.461 -10.984 1.00 13.21 O ATOM 1556 CB PRO A 91 27.958 -11.116 -12.083 1.00 23.41 C ATOM 1557 CG PRO A 91 26.699 -11.912 -12.105 1.00 51.13 C ATOM 1558 CD PRO A 91 26.689 -12.708 -10.830 1.00 23.04 C ATOM 0 HA PRO A 91 29.247 -10.752 -10.328 1.00 13.35 H new ATOM 0 HB2 PRO A 91 27.860 -10.203 -12.671 1.00 23.41 H new ATOM 0 HB3 PRO A 91 28.790 -11.679 -12.506 1.00 23.41 H new ATOM 0 HG2 PRO A 91 25.827 -11.261 -12.165 1.00 51.13 H new ATOM 0 HG3 PRO A 91 26.668 -12.568 -12.975 1.00 51.13 H new ATOM 0 HD2 PRO A 91 25.676 -12.854 -10.455 1.00 23.04 H new ATOM 0 HD3 PRO A 91 27.122 -13.698 -10.971 1.00 23.04 H new ATOM 1566 N MET A 92 26.916 -9.358 -9.132 1.00 31.43 N ATOM 1567 CA MET A 92 26.320 -8.105 -8.685 1.00 13.24 C ATOM 1568 C MET A 92 26.844 -7.715 -7.306 1.00 52.32 C ATOM 1569 O MET A 92 26.870 -6.535 -6.952 1.00 31.43 O ATOM 1570 CB MET A 92 24.795 -8.225 -8.648 1.00 50.11 C ATOM 1571 CG MET A 92 24.128 -7.899 -9.974 1.00 52.14 C ATOM 1572 SD MET A 92 22.906 -6.581 -9.832 1.00 0.52 S ATOM 1573 CE MET A 92 23.791 -5.216 -10.581 1.00 44.15 C ATOM 0 H MET A 92 26.740 -10.152 -8.516 1.00 31.43 H new ATOM 0 HA MET A 92 26.599 -7.326 -9.394 1.00 13.24 H new ATOM 0 HB2 MET A 92 24.526 -9.240 -8.355 1.00 50.11 H new ATOM 0 HB3 MET A 92 24.405 -7.557 -7.880 1.00 50.11 H new ATOM 0 HG2 MET A 92 24.890 -7.607 -10.697 1.00 52.14 H new ATOM 0 HG3 MET A 92 23.646 -8.796 -10.364 1.00 52.14 H new ATOM 0 HE1 MET A 92 23.164 -4.325 -10.568 1.00 44.15 H new ATOM 0 HE2 MET A 92 24.706 -5.024 -10.020 1.00 44.15 H new ATOM 0 HE3 MET A 92 24.043 -5.467 -11.611 1.00 44.15 H new ATOM 1583 N LEU A 93 27.260 -8.711 -6.533 1.00 21.32 N ATOM 1584 CA LEU A 93 27.784 -8.472 -5.192 1.00 74.23 C ATOM 1585 C LEU A 93 29.170 -7.839 -5.254 1.00 51.12 C ATOM 1586 O LEU A 93 29.347 -6.766 -5.830 1.00 52.13 O ATOM 1587 CB LEU A 93 27.844 -9.783 -4.406 1.00 13.34 C ATOM 1588 CG LEU A 93 26.532 -10.560 -4.295 1.00 74.03 C ATOM 1589 CD1 LEU A 93 26.805 -12.046 -4.118 1.00 14.55 C ATOM 1590 CD2 LEU A 93 25.692 -10.029 -3.143 1.00 1.52 C ATOM 0 H LEU A 93 27.245 -9.692 -6.811 1.00 21.32 H new ATOM 0 HA LEU A 93 27.112 -7.781 -4.683 1.00 74.23 H new ATOM 0 HB2 LEU A 93 28.587 -10.429 -4.873 1.00 13.34 H new ATOM 0 HB3 LEU A 93 28.199 -9.564 -3.399 1.00 13.34 H new ATOM 0 HG LEU A 93 25.972 -10.422 -5.220 1.00 74.03 H new ATOM 0 HD11 LEU A 93 25.860 -12.583 -4.041 1.00 14.55 H new ATOM 0 HD12 LEU A 93 27.364 -12.418 -4.976 1.00 14.55 H new ATOM 0 HD13 LEU A 93 27.387 -12.203 -3.210 1.00 14.55 H new ATOM 0 HD21 LEU A 93 24.762 -10.594 -3.080 1.00 1.52 H new ATOM 0 HD22 LEU A 93 26.245 -10.135 -2.210 1.00 1.52 H new ATOM 0 HD23 LEU A 93 25.466 -8.976 -3.313 1.00 1.52 H new ATOM 1602 N GLN A 94 30.149 -8.512 -4.659 1.00 3.33 N ATOM 1603 CA GLN A 94 31.520 -8.015 -4.648 1.00 1.21 C ATOM 1604 C GLN A 94 32.472 -9.030 -5.271 1.00 61.24 C ATOM 1605 O GLN A 94 32.280 -10.239 -5.139 1.00 11.13 O ATOM 1606 CB GLN A 94 31.959 -7.698 -3.217 1.00 71.31 C ATOM 1607 CG GLN A 94 33.452 -7.450 -3.080 1.00 24.45 C ATOM 1608 CD GLN A 94 33.773 -6.361 -2.075 1.00 41.13 C ATOM 1609 OE1 GLN A 94 34.124 -5.241 -2.448 1.00 25.12 O ATOM 1610 NE2 GLN A 94 33.653 -6.684 -0.793 1.00 4.22 N ATOM 0 H GLN A 94 30.019 -9.402 -4.178 1.00 3.33 H new ATOM 0 HA GLN A 94 31.553 -7.101 -5.241 1.00 1.21 H new ATOM 0 HB2 GLN A 94 31.419 -6.818 -2.867 1.00 71.31 H new ATOM 0 HB3 GLN A 94 31.675 -8.526 -2.567 1.00 71.31 H new ATOM 0 HG2 GLN A 94 33.944 -8.375 -2.778 1.00 24.45 H new ATOM 0 HG3 GLN A 94 33.861 -7.174 -4.052 1.00 24.45 H new ATOM 0 HE21 GLN A 94 33.359 -7.624 -0.529 1.00 4.22 H new ATOM 0 HE22 GLN A 94 33.855 -5.992 -0.072 1.00 4.22 H new ATOM 1619 N ASP A 95 33.498 -8.531 -5.952 1.00 22.23 N ATOM 1620 CA ASP A 95 34.481 -9.395 -6.596 1.00 1.04 C ATOM 1621 C ASP A 95 35.314 -10.139 -5.557 1.00 4.24 C ATOM 1622 O ASP A 95 35.689 -11.294 -5.758 1.00 73.12 O ATOM 1623 CB ASP A 95 35.394 -8.573 -7.507 1.00 23.42 C ATOM 1624 CG ASP A 95 36.265 -7.604 -6.732 1.00 21.01 C ATOM 1625 OD1 ASP A 95 35.706 -6.750 -6.012 1.00 64.50 O ATOM 1626 OD2 ASP A 95 37.505 -7.698 -6.846 1.00 64.41 O ATOM 0 H ASP A 95 33.671 -7.533 -6.072 1.00 22.23 H new ATOM 0 HA ASP A 95 33.945 -10.129 -7.198 1.00 1.04 H new ATOM 0 HB2 ASP A 95 36.029 -9.246 -8.083 1.00 23.42 H new ATOM 0 HB3 ASP A 95 34.786 -8.019 -8.221 1.00 23.42 H new ATOM 1631 N ARG A 96 35.602 -9.468 -4.446 1.00 21.12 N ATOM 1632 CA ARG A 96 36.393 -10.065 -3.376 1.00 41.33 C ATOM 1633 C ARG A 96 35.497 -10.797 -2.381 1.00 45.22 C ATOM 1634 O ARG A 96 35.928 -11.144 -1.281 1.00 22.13 O ATOM 1635 CB ARG A 96 37.205 -8.989 -2.653 1.00 10.14 C ATOM 1636 CG ARG A 96 36.349 -7.984 -1.899 1.00 22.34 C ATOM 1637 CD ARG A 96 37.115 -7.355 -0.745 1.00 34.31 C ATOM 1638 NE ARG A 96 38.454 -6.932 -1.143 1.00 65.11 N ATOM 1639 CZ ARG A 96 39.433 -6.681 -0.280 1.00 54.32 C ATOM 1640 NH1 ARG A 96 39.221 -6.810 1.022 1.00 3.44 N ATOM 1641 NH2 ARG A 96 40.625 -6.300 -0.720 1.00 2.22 N ATOM 0 H ARG A 96 35.300 -8.511 -4.263 1.00 21.12 H new ATOM 0 HA ARG A 96 37.076 -10.788 -3.822 1.00 41.33 H new ATOM 0 HB2 ARG A 96 37.887 -9.470 -1.952 1.00 10.14 H new ATOM 0 HB3 ARG A 96 37.818 -8.458 -3.381 1.00 10.14 H new ATOM 0 HG2 ARG A 96 36.014 -7.204 -2.583 1.00 22.34 H new ATOM 0 HG3 ARG A 96 35.456 -8.479 -1.518 1.00 22.34 H new ATOM 0 HD2 ARG A 96 36.561 -6.496 -0.368 1.00 34.31 H new ATOM 0 HD3 ARG A 96 37.189 -8.071 0.074 1.00 34.31 H new ATOM 0 HE ARG A 96 38.649 -6.823 -2.138 1.00 65.11 H new ATOM 0 HH11 ARG A 96 38.305 -7.102 1.363 1.00 3.44 H new ATOM 0 HH12 ARG A 96 39.974 -6.617 1.683 1.00 3.44 H new ATOM 0 HH21 ARG A 96 40.791 -6.199 -1.721 1.00 2.22 H new ATOM 0 HH22 ARG A 96 41.376 -6.108 -0.057 1.00 2.22 H new ATOM 1655 N LEU A 97 34.250 -11.028 -2.775 1.00 11.42 N ATOM 1656 CA LEU A 97 33.293 -11.718 -1.918 1.00 35.15 C ATOM 1657 C LEU A 97 33.552 -13.221 -1.912 1.00 74.23 C ATOM 1658 O LEU A 97 33.158 -13.926 -0.983 1.00 14.33 O ATOM 1659 CB LEU A 97 31.864 -11.437 -2.386 1.00 14.14 C ATOM 1660 CG LEU A 97 30.751 -12.128 -1.597 1.00 13.45 C ATOM 1661 CD1 LEU A 97 30.987 -11.982 -0.101 1.00 62.33 C ATOM 1662 CD2 LEU A 97 29.393 -11.559 -1.981 1.00 75.43 C ATOM 0 H LEU A 97 33.878 -10.748 -3.682 1.00 11.42 H new ATOM 0 HA LEU A 97 33.416 -11.343 -0.902 1.00 35.15 H new ATOM 0 HB2 LEU A 97 31.695 -10.361 -2.347 1.00 14.14 H new ATOM 0 HB3 LEU A 97 31.780 -11.735 -3.431 1.00 14.14 H new ATOM 0 HG LEU A 97 30.762 -13.189 -1.845 1.00 13.45 H new ATOM 0 HD11 LEU A 97 30.185 -12.480 0.444 1.00 62.33 H new ATOM 0 HD12 LEU A 97 31.942 -12.437 0.163 1.00 62.33 H new ATOM 0 HD13 LEU A 97 31.003 -10.925 0.163 1.00 62.33 H new ATOM 0 HD21 LEU A 97 28.613 -12.062 -1.410 1.00 75.43 H new ATOM 0 HD22 LEU A 97 29.371 -10.491 -1.763 1.00 75.43 H new ATOM 0 HD23 LEU A 97 29.221 -11.715 -3.046 1.00 75.43 H new ATOM 1674 N ARG A 98 34.218 -13.705 -2.955 1.00 61.23 N ATOM 1675 CA ARG A 98 34.531 -15.125 -3.070 1.00 52.53 C ATOM 1676 C ARG A 98 33.256 -15.954 -3.193 1.00 11.05 C ATOM 1677 O ARG A 98 32.154 -15.490 -2.901 1.00 14.24 O ATOM 1678 CB ARG A 98 35.341 -15.590 -1.859 1.00 14.13 C ATOM 1679 CG ARG A 98 36.818 -15.793 -2.155 1.00 14.12 C ATOM 1680 CD ARG A 98 37.368 -17.012 -1.431 1.00 44.41 C ATOM 1681 NE ARG A 98 38.558 -17.547 -2.088 1.00 74.33 N ATOM 1682 CZ ARG A 98 39.246 -18.586 -1.629 1.00 3.14 C ATOM 1683 NH1 ARG A 98 38.866 -19.198 -0.516 1.00 12.35 N ATOM 1684 NH2 ARG A 98 40.318 -19.015 -2.283 1.00 30.01 N ATOM 0 H ARG A 98 34.551 -13.135 -3.733 1.00 61.23 H new ATOM 0 HA ARG A 98 35.125 -15.269 -3.972 1.00 52.53 H new ATOM 0 HB2 ARG A 98 35.237 -14.856 -1.060 1.00 14.13 H new ATOM 0 HB3 ARG A 98 34.921 -16.526 -1.490 1.00 14.13 H new ATOM 0 HG2 ARG A 98 36.962 -15.910 -3.229 1.00 14.12 H new ATOM 0 HG3 ARG A 98 37.376 -14.907 -1.853 1.00 14.12 H new ATOM 0 HD2 ARG A 98 37.611 -16.744 -0.403 1.00 44.41 H new ATOM 0 HD3 ARG A 98 36.600 -17.784 -1.386 1.00 44.41 H new ATOM 0 HE ARG A 98 38.878 -17.098 -2.946 1.00 74.33 H new ATOM 0 HH11 ARG A 98 38.043 -18.871 -0.010 1.00 12.35 H new ATOM 0 HH12 ARG A 98 39.397 -19.996 -0.166 1.00 12.35 H new ATOM 0 HH21 ARG A 98 40.614 -18.547 -3.139 1.00 30.01 H new ATOM 0 HH22 ARG A 98 40.846 -19.813 -1.929 1.00 30.01 H new ATOM 1698 N PRO A 99 33.408 -17.211 -3.635 1.00 33.11 N ATOM 1699 CA PRO A 99 32.280 -18.132 -3.806 1.00 12.30 C ATOM 1700 C PRO A 99 31.681 -18.569 -2.473 1.00 50.25 C ATOM 1701 O PRO A 99 31.810 -19.726 -2.074 1.00 4.23 O ATOM 1702 CB PRO A 99 32.904 -19.327 -4.529 1.00 64.44 C ATOM 1703 CG PRO A 99 34.346 -19.286 -4.155 1.00 33.03 C ATOM 1704 CD PRO A 99 34.692 -17.831 -4.002 1.00 2.24 C ATOM 0 HA PRO A 99 31.456 -17.670 -4.350 1.00 12.30 H new ATOM 0 HB2 PRO A 99 32.441 -20.264 -4.218 1.00 64.44 H new ATOM 0 HB3 PRO A 99 32.773 -19.249 -5.608 1.00 64.44 H new ATOM 0 HG2 PRO A 99 34.524 -19.829 -3.227 1.00 33.03 H new ATOM 0 HG3 PRO A 99 34.962 -19.755 -4.922 1.00 33.03 H new ATOM 0 HD2 PRO A 99 35.447 -17.677 -3.231 1.00 2.24 H new ATOM 0 HD3 PRO A 99 35.090 -17.413 -4.927 1.00 2.24 H new ATOM 1712 N SER A 100 31.025 -17.636 -1.790 1.00 60.14 N ATOM 1713 CA SER A 100 30.409 -17.925 -0.501 1.00 12.34 C ATOM 1714 C SER A 100 28.918 -18.207 -0.662 1.00 1.53 C ATOM 1715 O SER A 100 28.314 -18.900 0.157 1.00 54.23 O ATOM 1716 CB SER A 100 30.617 -16.753 0.461 1.00 30.54 C ATOM 1717 OG SER A 100 30.028 -15.568 -0.044 1.00 44.40 O ATOM 0 H SER A 100 30.907 -16.674 -2.108 1.00 60.14 H new ATOM 0 HA SER A 100 30.886 -18.814 -0.089 1.00 12.34 H new ATOM 0 HB2 SER A 100 30.183 -16.994 1.431 1.00 30.54 H new ATOM 0 HB3 SER A 100 31.684 -16.594 0.620 1.00 30.54 H new ATOM 0 HG SER A 100 30.532 -14.790 0.276 1.00 44.40 H new ATOM 1723 N PHE A 101 28.331 -17.664 -1.723 1.00 41.51 N ATOM 1724 CA PHE A 101 26.911 -17.855 -1.993 1.00 13.34 C ATOM 1725 C PHE A 101 26.543 -19.335 -1.946 1.00 51.15 C ATOM 1726 O PHE A 101 25.603 -19.731 -1.258 1.00 1.44 O ATOM 1727 CB PHE A 101 26.546 -17.269 -3.358 1.00 73.22 C ATOM 1728 CG PHE A 101 25.151 -16.716 -3.420 1.00 34.22 C ATOM 1729 CD1 PHE A 101 24.054 -17.544 -3.238 1.00 44.10 C ATOM 1730 CD2 PHE A 101 24.935 -15.369 -3.660 1.00 43.32 C ATOM 1731 CE1 PHE A 101 22.769 -17.038 -3.294 1.00 22.23 C ATOM 1732 CE2 PHE A 101 23.653 -14.857 -3.717 1.00 34.35 C ATOM 1733 CZ PHE A 101 22.568 -15.693 -3.534 1.00 62.33 C ATOM 0 H PHE A 101 28.817 -17.088 -2.410 1.00 41.51 H new ATOM 0 HA PHE A 101 26.346 -17.334 -1.220 1.00 13.34 H new ATOM 0 HB2 PHE A 101 27.253 -16.477 -3.605 1.00 73.22 H new ATOM 0 HB3 PHE A 101 26.655 -18.043 -4.118 1.00 73.22 H new ATOM 0 HD1 PHE A 101 24.205 -18.597 -3.050 1.00 44.10 H new ATOM 0 HD2 PHE A 101 25.779 -14.711 -3.804 1.00 43.32 H new ATOM 0 HE1 PHE A 101 21.923 -17.694 -3.150 1.00 22.23 H new ATOM 0 HE2 PHE A 101 23.499 -13.805 -3.904 1.00 34.35 H new ATOM 0 HZ PHE A 101 21.565 -15.295 -3.579 1.00 62.33 H new ATOM 1743 N ALA A 102 27.291 -20.148 -2.686 1.00 13.43 N ATOM 1744 CA ALA A 102 27.045 -21.584 -2.729 1.00 1.33 C ATOM 1745 C ALA A 102 27.030 -22.180 -1.325 1.00 64.44 C ATOM 1746 O ALA A 102 26.448 -23.240 -1.096 1.00 74.41 O ATOM 1747 CB ALA A 102 28.096 -22.273 -3.587 1.00 35.44 C ATOM 0 H ALA A 102 28.072 -19.836 -3.263 1.00 13.43 H new ATOM 0 HA ALA A 102 26.064 -21.748 -3.175 1.00 1.33 H new ATOM 0 HB1 ALA A 102 27.901 -23.345 -3.611 1.00 35.44 H new ATOM 0 HB2 ALA A 102 28.056 -21.874 -4.601 1.00 35.44 H new ATOM 0 HB3 ALA A 102 29.085 -22.094 -3.165 1.00 35.44 H new ATOM 1753 N LYS A 103 27.676 -21.494 -0.389 1.00 13.42 N ATOM 1754 CA LYS A 103 27.737 -21.955 0.993 1.00 0.31 C ATOM 1755 C LYS A 103 26.685 -21.255 1.847 1.00 34.03 C ATOM 1756 O LYS A 103 26.319 -21.739 2.918 1.00 73.11 O ATOM 1757 CB LYS A 103 29.130 -21.704 1.575 1.00 62.03 C ATOM 1758 CG LYS A 103 30.093 -22.861 1.368 1.00 52.42 C ATOM 1759 CD LYS A 103 30.718 -22.825 -0.017 1.00 35.22 C ATOM 1760 CE LYS A 103 31.541 -24.075 -0.289 1.00 75.00 C ATOM 1761 NZ LYS A 103 31.871 -24.218 -1.734 1.00 51.31 N ATOM 0 H LYS A 103 28.165 -20.616 -0.562 1.00 13.42 H new ATOM 0 HA LYS A 103 27.533 -23.026 1.002 1.00 0.31 H new ATOM 0 HB2 LYS A 103 29.549 -20.807 1.119 1.00 62.03 H new ATOM 0 HB3 LYS A 103 29.038 -21.505 2.643 1.00 62.03 H new ATOM 0 HG2 LYS A 103 30.878 -22.822 2.123 1.00 52.42 H new ATOM 0 HG3 LYS A 103 29.565 -23.804 1.505 1.00 52.42 H new ATOM 0 HD2 LYS A 103 29.934 -22.733 -0.769 1.00 35.22 H new ATOM 0 HD3 LYS A 103 31.352 -21.943 -0.108 1.00 35.22 H new ATOM 0 HE2 LYS A 103 32.463 -24.037 0.292 1.00 75.00 H new ATOM 0 HE3 LYS A 103 30.989 -24.953 0.046 1.00 75.00 H new ATOM 0 HZ1 LYS A 103 32.432 -25.082 -1.878 1.00 51.31 H new ATOM 0 HZ2 LYS A 103 30.992 -24.280 -2.286 1.00 51.31 H new ATOM 0 HZ3 LYS A 103 32.420 -23.392 -2.048 1.00 51.31 H new ATOM 1775 N ALA A 104 26.201 -20.115 1.366 1.00 52.32 N ATOM 1776 CA ALA A 104 25.188 -19.351 2.084 1.00 50.02 C ATOM 1777 C ALA A 104 23.788 -19.869 1.773 1.00 14.52 C ATOM 1778 O ALA A 104 22.841 -19.608 2.516 1.00 54.42 O ATOM 1779 CB ALA A 104 25.296 -17.874 1.736 1.00 11.31 C ATOM 0 H ALA A 104 26.494 -19.700 0.482 1.00 52.32 H new ATOM 0 HA ALA A 104 25.364 -19.475 3.153 1.00 50.02 H new ATOM 0 HB1 ALA A 104 24.534 -17.316 2.279 1.00 11.31 H new ATOM 0 HB2 ALA A 104 26.283 -17.506 2.015 1.00 11.31 H new ATOM 0 HB3 ALA A 104 25.149 -17.741 0.664 1.00 11.31 H new ATOM 1785 N ILE A 105 23.664 -20.602 0.672 1.00 14.22 N ATOM 1786 CA ILE A 105 22.378 -21.156 0.265 1.00 45.24 C ATOM 1787 C ILE A 105 21.670 -21.823 1.439 1.00 50.42 C ATOM 1788 O ILE A 105 20.506 -21.547 1.732 1.00 45.41 O ATOM 1789 CB ILE A 105 22.543 -22.183 -0.872 1.00 12.55 C ATOM 1790 CG1 ILE A 105 23.036 -21.492 -2.145 1.00 30.22 C ATOM 1791 CG2 ILE A 105 21.228 -22.903 -1.128 1.00 72.25 C ATOM 1792 CD1 ILE A 105 22.232 -20.266 -2.518 1.00 31.52 C ATOM 0 H ILE A 105 24.437 -20.826 0.046 1.00 14.22 H new ATOM 0 HA ILE A 105 21.774 -20.322 -0.093 1.00 45.24 H new ATOM 0 HB ILE A 105 23.287 -22.921 -0.571 1.00 12.55 H new ATOM 0 HG12 ILE A 105 24.079 -21.206 -2.012 1.00 30.22 H new ATOM 0 HG13 ILE A 105 23.003 -22.203 -2.971 1.00 30.22 H new ATOM 0 HG21 ILE A 105 21.360 -23.625 -1.934 1.00 72.25 H new ATOM 0 HG22 ILE A 105 20.915 -23.423 -0.222 1.00 72.25 H new ATOM 0 HG23 ILE A 105 20.465 -22.178 -1.412 1.00 72.25 H new ATOM 0 HD11 ILE A 105 22.638 -19.828 -3.430 1.00 31.52 H new ATOM 0 HD12 ILE A 105 21.192 -20.549 -2.683 1.00 31.52 H new ATOM 0 HD13 ILE A 105 22.285 -19.536 -1.710 1.00 31.52 H new ATOM 1804 N PRO A 106 22.387 -22.721 2.130 1.00 62.13 N ATOM 1805 CA PRO A 106 21.848 -23.445 3.285 1.00 3.41 C ATOM 1806 C PRO A 106 21.641 -22.536 4.492 1.00 33.53 C ATOM 1807 O PRO A 106 20.752 -22.771 5.312 1.00 30.40 O ATOM 1808 CB PRO A 106 22.925 -24.491 3.582 1.00 23.12 C ATOM 1809 CG PRO A 106 24.183 -23.904 3.041 1.00 61.42 C ATOM 1810 CD PRO A 106 23.780 -23.100 1.836 1.00 12.44 C ATOM 0 HA PRO A 106 20.866 -23.871 3.078 1.00 3.41 H new ATOM 0 HB2 PRO A 106 23.006 -24.683 4.652 1.00 23.12 H new ATOM 0 HB3 PRO A 106 22.695 -25.443 3.104 1.00 23.12 H new ATOM 0 HG2 PRO A 106 24.671 -23.274 3.785 1.00 61.42 H new ATOM 0 HG3 PRO A 106 24.893 -24.685 2.769 1.00 61.42 H new ATOM 0 HD2 PRO A 106 24.416 -22.224 1.706 1.00 12.44 H new ATOM 0 HD3 PRO A 106 23.852 -23.686 0.919 1.00 12.44 H new ATOM 1818 N CYS A 107 22.465 -21.500 4.595 1.00 15.43 N ATOM 1819 CA CYS A 107 22.371 -20.556 5.704 1.00 51.25 C ATOM 1820 C CYS A 107 21.174 -19.627 5.527 1.00 31.22 C ATOM 1821 O CYS A 107 20.698 -19.021 6.488 1.00 42.51 O ATOM 1822 CB CYS A 107 23.657 -19.735 5.812 1.00 71.13 C ATOM 1823 SG CYS A 107 25.171 -20.709 5.642 1.00 33.35 S ATOM 0 H CYS A 107 23.205 -21.292 3.925 1.00 15.43 H new ATOM 0 HA CYS A 107 22.233 -21.125 6.623 1.00 51.25 H new ATOM 0 HB2 CYS A 107 23.647 -18.962 5.044 1.00 71.13 H new ATOM 0 HB3 CYS A 107 23.671 -19.227 6.776 1.00 71.13 H new ATOM 0 HG CYS A 107 25.285 -21.124 4.415 1.00 33.35 H new ATOM 1829 N LEU A 108 20.692 -19.519 4.294 1.00 62.41 N ATOM 1830 CA LEU A 108 19.551 -18.663 3.990 1.00 10.14 C ATOM 1831 C LEU A 108 18.239 -19.422 4.163 1.00 63.14 C ATOM 1832 O LEU A 108 17.266 -18.887 4.694 1.00 60.03 O ATOM 1833 CB LEU A 108 19.658 -18.124 2.563 1.00 70.12 C ATOM 1834 CG LEU A 108 20.308 -16.748 2.412 1.00 72.35 C ATOM 1835 CD1 LEU A 108 19.349 -15.654 2.854 1.00 4.34 C ATOM 1836 CD2 LEU A 108 21.603 -16.680 3.207 1.00 0.24 C ATOM 0 H LEU A 108 21.074 -20.014 3.488 1.00 62.41 H new ATOM 0 HA LEU A 108 19.560 -17.826 4.689 1.00 10.14 H new ATOM 0 HB2 LEU A 108 20.226 -18.839 1.968 1.00 70.12 H new ATOM 0 HB3 LEU A 108 18.656 -18.079 2.137 1.00 70.12 H new ATOM 0 HG LEU A 108 20.544 -16.592 1.359 1.00 72.35 H new ATOM 0 HD11 LEU A 108 19.828 -14.682 2.740 1.00 4.34 H new ATOM 0 HD12 LEU A 108 18.449 -15.689 2.240 1.00 4.34 H new ATOM 0 HD13 LEU A 108 19.081 -15.806 3.900 1.00 4.34 H new ATOM 0 HD21 LEU A 108 22.052 -15.694 3.088 1.00 0.24 H new ATOM 0 HD22 LEU A 108 21.392 -16.858 4.262 1.00 0.24 H new ATOM 0 HD23 LEU A 108 22.294 -17.440 2.842 1.00 0.24 H new ATOM 1848 N ARG A 109 18.222 -20.672 3.712 1.00 33.31 N ATOM 1849 CA ARG A 109 17.030 -21.506 3.817 1.00 0.43 C ATOM 1850 C ARG A 109 16.857 -22.030 5.240 1.00 64.33 C ATOM 1851 O ARG A 109 15.736 -22.224 5.710 1.00 54.54 O ATOM 1852 CB ARG A 109 17.113 -22.677 2.837 1.00 54.23 C ATOM 1853 CG ARG A 109 18.340 -23.551 3.035 1.00 72.55 C ATOM 1854 CD ARG A 109 18.507 -24.543 1.894 1.00 70.02 C ATOM 1855 NE ARG A 109 17.378 -25.465 1.800 1.00 40.21 N ATOM 1856 CZ ARG A 109 17.403 -26.587 1.090 1.00 31.31 C ATOM 1857 NH1 ARG A 109 18.493 -26.925 0.416 1.00 24.42 N ATOM 1858 NH2 ARG A 109 16.335 -27.375 1.054 1.00 43.40 N ATOM 0 H ARG A 109 19.020 -21.130 3.271 1.00 33.31 H new ATOM 0 HA ARG A 109 16.164 -20.893 3.566 1.00 0.43 H new ATOM 0 HB2 ARG A 109 16.219 -23.292 2.942 1.00 54.23 H new ATOM 0 HB3 ARG A 109 17.115 -22.288 1.819 1.00 54.23 H new ATOM 0 HG2 ARG A 109 19.228 -22.923 3.105 1.00 72.55 H new ATOM 0 HG3 ARG A 109 18.255 -24.091 3.978 1.00 72.55 H new ATOM 0 HD2 ARG A 109 18.611 -24.000 0.954 1.00 70.02 H new ATOM 0 HD3 ARG A 109 19.427 -25.110 2.038 1.00 70.02 H new ATOM 0 HE ARG A 109 16.524 -25.234 2.307 1.00 40.21 H new ATOM 0 HH11 ARG A 109 19.316 -26.323 0.442 1.00 24.42 H new ATOM 0 HH12 ARG A 109 18.509 -27.787 -0.128 1.00 24.42 H new ATOM 0 HH21 ARG A 109 15.494 -27.119 1.572 1.00 43.40 H new ATOM 0 HH22 ARG A 109 16.355 -28.237 0.508 1.00 43.40 H new ATOM 1872 N HIS A 110 17.976 -22.260 5.920 1.00 0.32 N ATOM 1873 CA HIS A 110 17.949 -22.762 7.289 1.00 34.23 C ATOM 1874 C HIS A 110 17.121 -21.848 8.187 1.00 11.42 C ATOM 1875 O HIS A 110 16.627 -22.270 9.233 1.00 25.23 O ATOM 1876 CB HIS A 110 19.370 -22.885 7.838 1.00 2.15 C ATOM 1877 CG HIS A 110 19.422 -23.194 9.303 1.00 10.21 C ATOM 1878 ND1 HIS A 110 19.305 -22.228 10.281 1.00 62.25 N ATOM 1879 CD2 HIS A 110 19.577 -24.370 9.955 1.00 42.02 C ATOM 1880 CE1 HIS A 110 19.388 -22.797 11.470 1.00 2.31 C ATOM 1881 NE2 HIS A 110 19.553 -24.096 11.300 1.00 20.23 N ATOM 0 H HIS A 110 18.912 -22.107 5.545 1.00 0.32 H new ATOM 0 HA HIS A 110 17.485 -23.748 7.279 1.00 34.23 H new ATOM 0 HB2 HIS A 110 19.895 -23.668 7.291 1.00 2.15 H new ATOM 0 HB3 HIS A 110 19.904 -21.953 7.652 1.00 2.15 H new ATOM 0 HD2 HIS A 110 19.697 -25.343 9.502 1.00 42.02 H new ATOM 0 HE1 HIS A 110 19.331 -22.286 12.420 1.00 2.31 H new ATOM 0 HE2 HIS A 110 19.647 -24.784 12.047 1.00 20.23 H new ATOM 1889 N ILE A 111 16.974 -20.594 7.772 1.00 1.01 N ATOM 1890 CA ILE A 111 16.206 -19.621 8.539 1.00 42.11 C ATOM 1891 C ILE A 111 14.845 -19.367 7.899 1.00 23.32 C ATOM 1892 O ILE A 111 13.986 -18.708 8.485 1.00 42.24 O ATOM 1893 CB ILE A 111 16.959 -18.283 8.665 1.00 32.21 C ATOM 1894 CG1 ILE A 111 17.321 -17.744 7.280 1.00 63.23 C ATOM 1895 CG2 ILE A 111 18.208 -18.457 9.515 1.00 3.35 C ATOM 1896 CD1 ILE A 111 17.701 -16.280 7.281 1.00 13.13 C ATOM 0 H ILE A 111 17.377 -20.228 6.909 1.00 1.01 H new ATOM 0 HA ILE A 111 16.064 -20.044 9.533 1.00 42.11 H new ATOM 0 HB ILE A 111 16.307 -17.560 9.156 1.00 32.21 H new ATOM 0 HG12 ILE A 111 18.150 -18.326 6.878 1.00 63.23 H new ATOM 0 HG13 ILE A 111 16.474 -17.891 6.609 1.00 63.23 H new ATOM 0 HG21 ILE A 111 18.729 -17.503 9.595 1.00 3.35 H new ATOM 0 HG22 ILE A 111 17.926 -18.801 10.510 1.00 3.35 H new ATOM 0 HG23 ILE A 111 18.865 -19.192 9.050 1.00 3.35 H new ATOM 0 HD11 ILE A 111 17.945 -15.967 6.266 1.00 13.13 H new ATOM 0 HD12 ILE A 111 16.865 -15.687 7.653 1.00 13.13 H new ATOM 0 HD13 ILE A 111 18.567 -16.129 7.925 1.00 13.13 H new ATOM 1908 N ARG A 112 14.656 -19.897 6.695 1.00 13.11 N ATOM 1909 CA ARG A 112 13.399 -19.729 5.976 1.00 52.42 C ATOM 1910 C ARG A 112 13.278 -18.314 5.416 1.00 31.20 C ATOM 1911 O ARG A 112 12.317 -17.601 5.706 1.00 71.44 O ATOM 1912 CB ARG A 112 12.215 -20.026 6.898 1.00 60.51 C ATOM 1913 CG ARG A 112 11.008 -20.601 6.174 1.00 45.03 C ATOM 1914 CD ARG A 112 11.329 -21.944 5.537 1.00 75.30 C ATOM 1915 NE ARG A 112 10.542 -23.028 6.120 1.00 12.21 N ATOM 1916 CZ ARG A 112 9.256 -23.228 5.854 1.00 70.24 C ATOM 1917 NH1 ARG A 112 8.616 -22.423 5.017 1.00 15.13 N ATOM 1918 NH2 ARG A 112 8.608 -24.236 6.424 1.00 62.23 N ATOM 0 H ARG A 112 15.357 -20.446 6.197 1.00 13.11 H new ATOM 0 HA ARG A 112 13.389 -20.433 5.144 1.00 52.42 H new ATOM 0 HB2 ARG A 112 12.533 -20.727 7.670 1.00 60.51 H new ATOM 0 HB3 ARG A 112 11.920 -19.107 7.404 1.00 60.51 H new ATOM 0 HG2 ARG A 112 10.183 -20.718 6.876 1.00 45.03 H new ATOM 0 HG3 ARG A 112 10.676 -19.903 5.406 1.00 45.03 H new ATOM 0 HD2 ARG A 112 11.137 -21.892 4.465 1.00 75.30 H new ATOM 0 HD3 ARG A 112 12.390 -22.159 5.660 1.00 75.30 H new ATOM 0 HE ARG A 112 11.005 -23.666 6.767 1.00 12.21 H new ATOM 0 HH11 ARG A 112 9.111 -21.648 4.576 1.00 15.13 H new ATOM 0 HH12 ARG A 112 7.629 -22.579 4.814 1.00 15.13 H new ATOM 0 HH21 ARG A 112 9.097 -24.858 7.067 1.00 62.23 H new ATOM 0 HH22 ARG A 112 7.621 -24.389 6.219 1.00 62.23 H new ATOM 1932 N ARG A 113 14.259 -17.915 4.614 1.00 64.13 N ATOM 1933 CA ARG A 113 14.264 -16.586 4.015 1.00 51.21 C ATOM 1934 C ARG A 113 14.159 -16.674 2.495 1.00 13.32 C ATOM 1935 O ARG A 113 13.520 -15.836 1.858 1.00 12.21 O ATOM 1936 CB ARG A 113 15.536 -15.831 4.406 1.00 71.30 C ATOM 1937 CG ARG A 113 15.543 -14.378 3.962 1.00 51.24 C ATOM 1938 CD ARG A 113 15.720 -13.435 5.142 1.00 73.33 C ATOM 1939 NE ARG A 113 14.740 -13.687 6.195 1.00 22.52 N ATOM 1940 CZ ARG A 113 13.450 -13.394 6.084 1.00 15.53 C ATOM 1941 NH1 ARG A 113 12.985 -12.840 4.972 1.00 23.53 N ATOM 1942 NH2 ARG A 113 12.620 -13.653 7.087 1.00 61.41 N ATOM 0 H ARG A 113 15.061 -18.493 4.364 1.00 64.13 H new ATOM 0 HA ARG A 113 13.397 -16.043 4.391 1.00 51.21 H new ATOM 0 HB2 ARG A 113 15.654 -15.872 5.489 1.00 71.30 H new ATOM 0 HB3 ARG A 113 16.397 -16.339 3.972 1.00 71.30 H new ATOM 0 HG2 ARG A 113 16.348 -14.220 3.245 1.00 51.24 H new ATOM 0 HG3 ARG A 113 14.609 -14.149 3.449 1.00 51.24 H new ATOM 0 HD2 ARG A 113 16.725 -13.547 5.548 1.00 73.33 H new ATOM 0 HD3 ARG A 113 15.627 -12.404 4.800 1.00 73.33 H new ATOM 0 HE ARG A 113 15.065 -14.112 7.064 1.00 22.52 H new ATOM 0 HH11 ARG A 113 13.619 -12.638 4.199 1.00 23.53 H new ATOM 0 HH12 ARG A 113 11.993 -12.616 4.890 1.00 23.53 H new ATOM 0 HH21 ARG A 113 12.973 -14.078 7.945 1.00 61.41 H new ATOM 0 HH22 ARG A 113 11.629 -13.427 7.000 1.00 61.41 H new ATOM 1956 N ILE A 114 14.790 -17.693 1.922 1.00 52.44 N ATOM 1957 CA ILE A 114 14.766 -17.890 0.478 1.00 45.34 C ATOM 1958 C ILE A 114 14.826 -19.372 0.124 1.00 11.21 C ATOM 1959 O ILE A 114 14.869 -20.230 1.006 1.00 13.41 O ATOM 1960 CB ILE A 114 15.938 -17.162 -0.209 1.00 33.31 C ATOM 1961 CG1 ILE A 114 17.243 -17.929 0.012 1.00 31.35 C ATOM 1962 CG2 ILE A 114 16.058 -15.739 0.316 1.00 73.25 C ATOM 1963 CD1 ILE A 114 17.719 -18.678 -1.213 1.00 32.45 C ATOM 0 H ILE A 114 15.324 -18.395 2.435 1.00 52.44 H new ATOM 0 HA ILE A 114 13.827 -17.471 0.118 1.00 45.34 H new ATOM 0 HB ILE A 114 15.742 -17.118 -1.280 1.00 33.31 H new ATOM 0 HG12 ILE A 114 18.018 -17.229 0.324 1.00 31.35 H new ATOM 0 HG13 ILE A 114 17.105 -18.637 0.830 1.00 31.35 H new ATOM 0 HG21 ILE A 114 16.890 -15.238 -0.179 1.00 73.25 H new ATOM 0 HG22 ILE A 114 15.135 -15.197 0.112 1.00 73.25 H new ATOM 0 HG23 ILE A 114 16.235 -15.762 1.391 1.00 73.25 H new ATOM 0 HD11 ILE A 114 18.649 -19.198 -0.983 1.00 32.45 H new ATOM 0 HD12 ILE A 114 16.962 -19.403 -1.513 1.00 32.45 H new ATOM 0 HD13 ILE A 114 17.889 -17.973 -2.027 1.00 32.45 H new ATOM 1975 N ARG A 115 14.830 -19.666 -1.172 1.00 50.41 N ATOM 1976 CA ARG A 115 14.885 -21.044 -1.643 1.00 20.43 C ATOM 1977 C ARG A 115 15.724 -21.152 -2.913 1.00 20.23 C ATOM 1978 O ARG A 115 16.194 -20.147 -3.444 1.00 53.23 O ATOM 1979 CB ARG A 115 13.474 -21.573 -1.905 1.00 14.02 C ATOM 1980 CG ARG A 115 12.727 -21.967 -0.641 1.00 74.52 C ATOM 1981 CD ARG A 115 11.865 -23.200 -0.865 1.00 60.33 C ATOM 1982 NE ARG A 115 11.879 -24.095 0.289 1.00 13.21 N ATOM 1983 CZ ARG A 115 12.945 -24.791 0.667 1.00 61.24 C ATOM 1984 NH1 ARG A 115 14.078 -24.696 -0.015 1.00 63.31 N ATOM 1985 NH2 ARG A 115 12.879 -25.584 1.728 1.00 23.15 N ATOM 0 H ARG A 115 14.796 -18.968 -1.915 1.00 50.41 H new ATOM 0 HA ARG A 115 15.354 -21.648 -0.866 1.00 20.43 H new ATOM 0 HB2 ARG A 115 12.901 -20.810 -2.433 1.00 14.02 H new ATOM 0 HB3 ARG A 115 13.536 -22.438 -2.565 1.00 14.02 H new ATOM 0 HG2 ARG A 115 13.441 -22.161 0.159 1.00 74.52 H new ATOM 0 HG3 ARG A 115 12.100 -21.138 -0.314 1.00 74.52 H new ATOM 0 HD2 ARG A 115 10.840 -22.893 -1.073 1.00 60.33 H new ATOM 0 HD3 ARG A 115 12.222 -23.737 -1.744 1.00 60.33 H new ATOM 0 HE ARG A 115 11.023 -24.191 0.835 1.00 13.21 H new ATOM 0 HH11 ARG A 115 14.132 -24.087 -0.832 1.00 63.31 H new ATOM 0 HH12 ARG A 115 14.896 -25.231 0.277 1.00 63.31 H new ATOM 0 HH21 ARG A 115 12.009 -25.660 2.255 1.00 23.15 H new ATOM 0 HH22 ARG A 115 13.698 -26.118 2.017 1.00 23.15 H new ATOM 1999 N GLU A 116 15.908 -22.378 -3.392 1.00 72.51 N ATOM 2000 CA GLU A 116 16.691 -22.617 -4.599 1.00 4.35 C ATOM 2001 C GLU A 116 16.110 -23.774 -5.405 1.00 60.31 C ATOM 2002 O GLU A 116 15.787 -24.827 -4.855 1.00 2.51 O ATOM 2003 CB GLU A 116 18.148 -22.914 -4.237 1.00 2.31 C ATOM 2004 CG GLU A 116 18.309 -24.058 -3.251 1.00 23.43 C ATOM 2005 CD GLU A 116 18.038 -23.638 -1.819 1.00 51.24 C ATOM 2006 OE1 GLU A 116 18.272 -22.455 -1.495 1.00 14.41 O ATOM 2007 OE2 GLU A 116 17.592 -24.491 -1.024 1.00 24.10 O ATOM 0 H GLU A 116 15.526 -23.221 -2.963 1.00 72.51 H new ATOM 0 HA GLU A 116 16.652 -21.716 -5.211 1.00 4.35 H new ATOM 0 HB2 GLU A 116 18.699 -23.150 -5.147 1.00 2.31 H new ATOM 0 HB3 GLU A 116 18.599 -22.016 -3.815 1.00 2.31 H new ATOM 0 HG2 GLU A 116 17.629 -24.866 -3.523 1.00 23.43 H new ATOM 0 HG3 GLU A 116 19.321 -24.455 -3.324 1.00 23.43 H new ATOM 2014 N GLU A 117 15.980 -23.570 -6.712 1.00 75.53 N ATOM 2015 CA GLU A 117 15.436 -24.597 -7.594 1.00 53.52 C ATOM 2016 C GLU A 117 16.506 -25.116 -8.549 1.00 64.15 C ATOM 2017 O GLU A 117 16.879 -24.439 -9.508 1.00 23.41 O ATOM 2018 CB GLU A 117 14.252 -24.042 -8.390 1.00 45.40 C ATOM 2019 CG GLU A 117 13.048 -24.968 -8.415 1.00 41.32 C ATOM 2020 CD GLU A 117 11.769 -24.273 -7.989 1.00 23.34 C ATOM 2021 OE1 GLU A 117 11.412 -23.253 -8.614 1.00 72.24 O ATOM 2022 OE2 GLU A 117 11.127 -24.749 -7.030 1.00 34.22 O ATOM 0 H GLU A 117 16.243 -22.705 -7.183 1.00 75.53 H new ATOM 0 HA GLU A 117 15.092 -25.426 -6.976 1.00 53.52 H new ATOM 0 HB2 GLU A 117 13.955 -23.084 -7.962 1.00 45.40 H new ATOM 0 HB3 GLU A 117 14.572 -23.848 -9.414 1.00 45.40 H new ATOM 0 HG2 GLU A 117 12.922 -25.367 -9.421 1.00 41.32 H new ATOM 0 HG3 GLU A 117 13.233 -25.816 -7.756 1.00 41.32 H new ATOM 2029 N ARG A 118 16.997 -26.322 -8.280 1.00 53.41 N ATOM 2030 CA ARG A 118 18.025 -26.932 -9.114 1.00 5.33 C ATOM 2031 C ARG A 118 17.442 -27.395 -10.445 1.00 60.32 C ATOM 2032 O ARG A 118 16.774 -28.428 -10.516 1.00 2.22 O ATOM 2033 CB ARG A 118 18.666 -28.115 -8.386 1.00 3.11 C ATOM 2034 CG ARG A 118 19.366 -29.094 -9.314 1.00 70.31 C ATOM 2035 CD ARG A 118 20.389 -28.394 -10.194 1.00 5.20 C ATOM 2036 NE ARG A 118 21.446 -27.761 -9.408 1.00 74.41 N ATOM 2037 CZ ARG A 118 22.451 -28.431 -8.856 1.00 4.43 C ATOM 2038 NH1 ARG A 118 22.537 -29.745 -9.003 1.00 25.40 N ATOM 2039 NH2 ARG A 118 23.374 -27.784 -8.155 1.00 22.33 N ATOM 0 H ARG A 118 16.699 -26.895 -7.491 1.00 53.41 H new ATOM 0 HA ARG A 118 18.788 -26.180 -9.314 1.00 5.33 H new ATOM 0 HB2 ARG A 118 19.386 -27.737 -7.660 1.00 3.11 H new ATOM 0 HB3 ARG A 118 17.897 -28.646 -7.825 1.00 3.11 H new ATOM 0 HG2 ARG A 118 19.860 -29.866 -8.724 1.00 70.31 H new ATOM 0 HG3 ARG A 118 18.628 -29.595 -9.940 1.00 70.31 H new ATOM 0 HD2 ARG A 118 20.831 -29.116 -10.881 1.00 5.20 H new ATOM 0 HD3 ARG A 118 19.889 -27.640 -10.802 1.00 5.20 H new ATOM 0 HE ARG A 118 21.410 -26.750 -9.276 1.00 74.41 H new ATOM 0 HH11 ARG A 118 21.830 -30.245 -9.542 1.00 25.40 H new ATOM 0 HH12 ARG A 118 23.310 -30.256 -8.578 1.00 25.40 H new ATOM 0 HH21 ARG A 118 23.311 -26.772 -8.040 1.00 22.33 H new ATOM 0 HH22 ARG A 118 24.146 -28.298 -7.731 1.00 22.33 H new ATOM 2053 N CYS A 119 17.698 -26.626 -11.497 1.00 41.22 N ATOM 2054 CA CYS A 119 17.197 -26.957 -12.827 1.00 3.34 C ATOM 2055 C CYS A 119 18.349 -27.199 -13.797 1.00 31.13 C ATOM 2056 O CYS A 119 18.734 -26.310 -14.555 1.00 15.44 O ATOM 2057 CB CYS A 119 16.301 -25.834 -13.351 1.00 12.23 C ATOM 2058 SG CYS A 119 15.079 -25.246 -12.155 1.00 10.34 S ATOM 0 H CYS A 119 18.249 -25.769 -11.455 1.00 41.22 H new ATOM 0 HA CYS A 119 16.612 -27.873 -12.750 1.00 3.34 H new ATOM 0 HB2 CYS A 119 16.928 -24.996 -13.656 1.00 12.23 H new ATOM 0 HB3 CYS A 119 15.781 -26.184 -14.243 1.00 12.23 H new ATOM 0 HG CYS A 119 15.680 -24.898 -11.056 1.00 10.34 H new ATOM 2064 N GLY A 120 18.897 -28.410 -13.766 1.00 30.30 N ATOM 2065 CA GLY A 120 20.001 -28.748 -14.646 1.00 13.42 C ATOM 2066 C GLY A 120 21.277 -28.014 -14.282 1.00 73.54 C ATOM 2067 O GLY A 120 21.611 -27.851 -13.109 1.00 2.31 O ATOM 0 H GLY A 120 18.596 -29.163 -13.147 1.00 30.30 H new ATOM 0 HA2 GLY A 120 20.179 -29.823 -14.605 1.00 13.42 H new ATOM 0 HA3 GLY A 120 19.729 -28.509 -15.674 1.00 13.42 H new ATOM 2071 N PRO A 121 22.015 -27.560 -15.306 1.00 54.11 N ATOM 2072 CA PRO A 121 23.273 -26.834 -15.114 1.00 4.15 C ATOM 2073 C PRO A 121 23.057 -25.444 -14.525 1.00 32.14 C ATOM 2074 O PRO A 121 24.010 -24.693 -14.312 1.00 31.31 O ATOM 2075 CB PRO A 121 23.844 -26.731 -16.530 1.00 61.32 C ATOM 2076 CG PRO A 121 22.655 -26.813 -17.424 1.00 42.43 C ATOM 2077 CD PRO A 121 21.677 -27.719 -16.730 1.00 75.25 C ATOM 0 HA PRO A 121 23.932 -27.342 -14.410 1.00 4.15 H new ATOM 0 HB2 PRO A 121 24.383 -25.794 -16.673 1.00 61.32 H new ATOM 0 HB3 PRO A 121 24.548 -27.538 -16.733 1.00 61.32 H new ATOM 0 HG2 PRO A 121 22.223 -25.826 -17.590 1.00 42.43 H new ATOM 0 HG3 PRO A 121 22.928 -27.210 -18.402 1.00 42.43 H new ATOM 0 HD2 PRO A 121 20.646 -27.428 -16.933 1.00 75.25 H new ATOM 0 HD3 PRO A 121 21.787 -28.753 -17.056 1.00 75.25 H new ATOM 2085 N LEU A 122 21.799 -25.107 -14.263 1.00 32.24 N ATOM 2086 CA LEU A 122 21.457 -23.807 -13.697 1.00 50.31 C ATOM 2087 C LEU A 122 20.841 -23.961 -12.310 1.00 51.12 C ATOM 2088 O LEU A 122 20.565 -25.074 -11.861 1.00 53.13 O ATOM 2089 CB LEU A 122 20.486 -23.067 -14.619 1.00 45.33 C ATOM 2090 CG LEU A 122 20.926 -22.919 -16.076 1.00 51.14 C ATOM 2091 CD1 LEU A 122 19.753 -22.496 -16.947 1.00 42.33 C ATOM 2092 CD2 LEU A 122 22.066 -21.918 -16.191 1.00 1.43 C ATOM 0 H LEU A 122 20.999 -25.716 -14.434 1.00 32.24 H new ATOM 0 HA LEU A 122 22.375 -23.226 -13.604 1.00 50.31 H new ATOM 0 HB2 LEU A 122 19.529 -23.589 -14.600 1.00 45.33 H new ATOM 0 HB3 LEU A 122 20.314 -22.072 -14.209 1.00 45.33 H new ATOM 0 HG LEU A 122 21.283 -23.887 -16.427 1.00 51.14 H new ATOM 0 HD11 LEU A 122 20.085 -22.396 -17.980 1.00 42.33 H new ATOM 0 HD12 LEU A 122 18.967 -23.249 -16.890 1.00 42.33 H new ATOM 0 HD13 LEU A 122 19.365 -21.540 -16.596 1.00 42.33 H new ATOM 0 HD21 LEU A 122 22.366 -21.826 -17.235 1.00 1.43 H new ATOM 0 HD22 LEU A 122 21.736 -20.947 -15.821 1.00 1.43 H new ATOM 0 HD23 LEU A 122 22.914 -22.263 -15.599 1.00 1.43 H new ATOM 2104 N THR A 123 20.626 -22.836 -11.635 1.00 55.24 N ATOM 2105 CA THR A 123 20.041 -22.845 -10.300 1.00 61.34 C ATOM 2106 C THR A 123 19.293 -21.547 -10.018 1.00 65.13 C ATOM 2107 O THR A 123 19.871 -20.461 -10.078 1.00 35.11 O ATOM 2108 CB THR A 123 21.117 -23.050 -9.218 1.00 22.45 C ATOM 2109 OG1 THR A 123 22.079 -24.015 -9.659 1.00 43.54 O ATOM 2110 CG2 THR A 123 20.489 -23.515 -7.912 1.00 4.41 C ATOM 0 H THR A 123 20.848 -21.907 -11.991 1.00 55.24 H new ATOM 0 HA THR A 123 19.340 -23.679 -10.268 1.00 61.34 H new ATOM 0 HB THR A 123 21.613 -22.095 -9.046 1.00 22.45 H new ATOM 0 HG1 THR A 123 22.760 -24.138 -8.966 1.00 43.54 H new ATOM 0 HG21 THR A 123 21.268 -23.653 -7.162 1.00 4.41 H new ATOM 0 HG22 THR A 123 19.779 -22.766 -7.563 1.00 4.41 H new ATOM 0 HG23 THR A 123 19.970 -24.460 -8.074 1.00 4.41 H new ATOM 2118 N PHE A 124 18.006 -21.666 -9.710 1.00 63.01 N ATOM 2119 CA PHE A 124 17.179 -20.501 -9.419 1.00 2.13 C ATOM 2120 C PHE A 124 16.979 -20.338 -7.915 1.00 21.53 C ATOM 2121 O PHE A 124 17.439 -21.162 -7.124 1.00 23.14 O ATOM 2122 CB PHE A 124 15.822 -20.625 -10.115 1.00 22.44 C ATOM 2123 CG PHE A 124 15.921 -20.702 -11.611 1.00 51.54 C ATOM 2124 CD1 PHE A 124 16.180 -21.908 -12.241 1.00 63.13 C ATOM 2125 CD2 PHE A 124 15.754 -19.567 -12.389 1.00 12.34 C ATOM 2126 CE1 PHE A 124 16.272 -21.981 -13.618 1.00 44.44 C ATOM 2127 CE2 PHE A 124 15.844 -19.633 -13.766 1.00 64.22 C ATOM 2128 CZ PHE A 124 16.103 -20.842 -14.382 1.00 20.11 C ATOM 0 H PHE A 124 17.513 -22.557 -9.655 1.00 63.01 H new ATOM 0 HA PHE A 124 17.694 -19.618 -9.797 1.00 2.13 H new ATOM 0 HB2 PHE A 124 15.313 -21.516 -9.746 1.00 22.44 H new ATOM 0 HB3 PHE A 124 15.204 -19.769 -9.843 1.00 22.44 H new ATOM 0 HD1 PHE A 124 16.312 -22.802 -11.649 1.00 63.13 H new ATOM 0 HD2 PHE A 124 15.551 -18.619 -11.913 1.00 12.34 H new ATOM 0 HE1 PHE A 124 16.476 -22.927 -14.097 1.00 44.44 H new ATOM 0 HE2 PHE A 124 15.712 -18.741 -14.360 1.00 64.22 H new ATOM 0 HZ PHE A 124 16.173 -20.897 -15.458 1.00 20.11 H new ATOM 2138 N TYR A 125 16.290 -19.271 -7.528 1.00 1.32 N ATOM 2139 CA TYR A 125 16.031 -18.997 -6.119 1.00 62.51 C ATOM 2140 C TYR A 125 14.749 -18.189 -5.948 1.00 12.12 C ATOM 2141 O TYR A 125 14.601 -17.109 -6.521 1.00 20.13 O ATOM 2142 CB TYR A 125 17.209 -18.244 -5.499 1.00 41.12 C ATOM 2143 CG TYR A 125 18.552 -18.872 -5.794 1.00 64.12 C ATOM 2144 CD1 TYR A 125 19.254 -18.549 -6.949 1.00 3.12 C ATOM 2145 CD2 TYR A 125 19.120 -19.788 -4.917 1.00 63.33 C ATOM 2146 CE1 TYR A 125 20.481 -19.121 -7.223 1.00 24.05 C ATOM 2147 CE2 TYR A 125 20.348 -20.364 -5.182 1.00 72.31 C ATOM 2148 CZ TYR A 125 21.024 -20.028 -6.336 1.00 41.12 C ATOM 2149 OH TYR A 125 22.247 -20.599 -6.605 1.00 0.15 O ATOM 0 H TYR A 125 15.900 -18.581 -8.170 1.00 1.32 H new ATOM 0 HA TYR A 125 15.908 -19.951 -5.606 1.00 62.51 H new ATOM 0 HB2 TYR A 125 17.208 -17.218 -5.868 1.00 41.12 H new ATOM 0 HB3 TYR A 125 17.070 -18.195 -4.419 1.00 41.12 H new ATOM 0 HD1 TYR A 125 18.833 -17.838 -7.645 1.00 3.12 H new ATOM 0 HD2 TYR A 125 18.593 -20.054 -4.013 1.00 63.33 H new ATOM 0 HE1 TYR A 125 21.012 -18.860 -8.126 1.00 24.05 H new ATOM 0 HE2 TYR A 125 20.776 -21.073 -4.489 1.00 72.31 H new ATOM 0 HH TYR A 125 22.961 -19.980 -6.347 1.00 0.15 H new ATOM 2159 N TYR A 126 13.824 -18.719 -5.155 1.00 25.31 N ATOM 2160 CA TYR A 126 12.553 -18.049 -4.908 1.00 62.23 C ATOM 2161 C TYR A 126 12.363 -17.772 -3.420 1.00 44.42 C ATOM 2162 O TYR A 126 12.993 -18.390 -2.562 1.00 30.13 O ATOM 2163 CB TYR A 126 11.395 -18.900 -5.432 1.00 15.43 C ATOM 2164 CG TYR A 126 11.529 -20.371 -5.108 1.00 55.51 C ATOM 2165 CD1 TYR A 126 12.386 -21.187 -5.836 1.00 1.53 C ATOM 2166 CD2 TYR A 126 10.797 -20.944 -4.076 1.00 22.54 C ATOM 2167 CE1 TYR A 126 12.511 -22.531 -5.544 1.00 64.12 C ATOM 2168 CE2 TYR A 126 10.917 -22.288 -3.776 1.00 42.31 C ATOM 2169 CZ TYR A 126 11.775 -23.077 -4.513 1.00 43.23 C ATOM 2170 OH TYR A 126 11.897 -24.416 -4.219 1.00 54.40 O ATOM 0 H TYR A 126 13.931 -19.611 -4.672 1.00 25.31 H new ATOM 0 HA TYR A 126 12.564 -17.096 -5.437 1.00 62.23 H new ATOM 0 HB2 TYR A 126 10.462 -18.527 -5.010 1.00 15.43 H new ATOM 0 HB3 TYR A 126 11.327 -18.779 -6.513 1.00 15.43 H new ATOM 0 HD1 TYR A 126 12.964 -20.763 -6.644 1.00 1.53 H new ATOM 0 HD2 TYR A 126 10.123 -20.329 -3.498 1.00 22.54 H new ATOM 0 HE1 TYR A 126 13.182 -23.151 -6.120 1.00 64.12 H new ATOM 0 HE2 TYR A 126 10.342 -22.718 -2.969 1.00 42.31 H new ATOM 0 HH TYR A 126 11.706 -24.946 -5.021 1.00 54.40 H new ATOM 2180 N PRO A 127 11.473 -16.819 -3.106 1.00 44.41 N ATOM 2181 CA PRO A 127 11.178 -16.437 -1.722 1.00 13.20 C ATOM 2182 C PRO A 127 10.423 -17.527 -0.968 1.00 44.05 C ATOM 2183 O PRO A 127 9.218 -17.696 -1.145 1.00 33.51 O ATOM 2184 CB PRO A 127 10.303 -15.191 -1.877 1.00 14.50 C ATOM 2185 CG PRO A 127 9.674 -15.334 -3.220 1.00 42.41 C ATOM 2186 CD PRO A 127 10.687 -16.041 -4.078 1.00 12.31 C ATOM 0 HA PRO A 127 12.086 -16.268 -1.144 1.00 13.20 H new ATOM 0 HB2 PRO A 127 9.550 -15.136 -1.091 1.00 14.50 H new ATOM 0 HB3 PRO A 127 10.897 -14.280 -1.813 1.00 14.50 H new ATOM 0 HG2 PRO A 127 8.748 -15.905 -3.158 1.00 42.41 H new ATOM 0 HG3 PRO A 127 9.420 -14.360 -3.638 1.00 42.41 H new ATOM 0 HD2 PRO A 127 10.209 -16.685 -4.816 1.00 12.31 H new ATOM 0 HD3 PRO A 127 11.311 -15.336 -4.627 1.00 12.31 H new ATOM 2194 N GLY A 128 11.142 -18.264 -0.127 1.00 30.21 N ATOM 2195 CA GLY A 128 10.523 -19.329 0.641 1.00 0.32 C ATOM 2196 C GLY A 128 9.653 -20.229 -0.213 1.00 21.51 C ATOM 2197 O GLY A 128 10.067 -20.667 -1.286 1.00 71.24 O ATOM 0 H GLY A 128 12.142 -18.143 0.036 1.00 30.21 H new ATOM 0 HA2 GLY A 128 11.299 -19.926 1.119 1.00 0.32 H new ATOM 0 HA3 GLY A 128 9.919 -18.895 1.438 1.00 0.32 H new ATOM 2201 N SER A 129 8.445 -20.509 0.265 1.00 54.30 N ATOM 2202 CA SER A 129 7.516 -21.368 -0.460 1.00 31.13 C ATOM 2203 C SER A 129 6.076 -20.911 -0.249 1.00 54.12 C ATOM 2204 O SER A 129 5.633 -20.719 0.883 1.00 32.02 O ATOM 2205 CB SER A 129 7.673 -22.821 -0.007 1.00 1.02 C ATOM 2206 OG SER A 129 7.431 -22.951 1.383 1.00 0.24 O ATOM 0 H SER A 129 8.087 -20.154 1.151 1.00 54.30 H new ATOM 0 HA SER A 129 7.749 -21.298 -1.523 1.00 31.13 H new ATOM 0 HB2 SER A 129 6.980 -23.455 -0.561 1.00 1.02 H new ATOM 0 HB3 SER A 129 8.679 -23.171 -0.238 1.00 1.02 H new ATOM 0 HG SER A 129 6.867 -22.209 1.688 1.00 0.24 H new ATOM 2212 N SER A 130 5.349 -20.738 -1.349 1.00 65.31 N ATOM 2213 CA SER A 130 3.960 -20.300 -1.287 1.00 1.12 C ATOM 2214 C SER A 130 3.044 -21.298 -1.988 1.00 35.25 C ATOM 2215 O SER A 130 3.056 -21.413 -3.212 1.00 34.20 O ATOM 2216 CB SER A 130 3.810 -18.918 -1.925 1.00 43.41 C ATOM 2217 OG SER A 130 4.046 -18.972 -3.321 1.00 72.44 O ATOM 0 H SER A 130 5.700 -20.895 -2.294 1.00 65.31 H new ATOM 0 HA SER A 130 3.670 -20.242 -0.238 1.00 1.12 H new ATOM 0 HB2 SER A 130 2.807 -18.534 -1.737 1.00 43.41 H new ATOM 0 HB3 SER A 130 4.509 -18.222 -1.461 1.00 43.41 H new ATOM 0 HG SER A 130 3.707 -19.819 -3.678 1.00 72.44 H new TER 2223 SER A 130