USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 810 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 89 THR OG1 : rot 180:sc= 0.213 USER MOD Set 1.2: A 94 SER OG : rot -80:sc= 0.225 USER MOD Set 2.1: A 48 HIS : no HD1:sc= -5.47! C(o=-2.5!,f=-5.6!) USER MOD Set 2.2: A 62 ASN :FLIP amide:sc= 2.32 F(o=-9.8!,f=-2.5) USER MOD Set 2.3: A 69 THR OG1 : rot 76:sc= 0.612 USER MOD Set 3.1: A 66 THR OG1 : rot 89:sc= 0.957 USER MOD Set 3.2: A 67 ASN : amide:sc= -2.63! C(o=-1.7!,f=-7.6!) USER MOD Single : A 1 MET CE :methyl 160:sc= -0.205 (180deg=-1.57!) USER MOD Single : A 1 MET N :NH3+ -172:sc= -0.468 (180deg=-0.928!) USER MOD Single : A 4 THR OG1 : rot 67:sc= -0.486 USER MOD Single : A 9 THR OG1 : rot -94:sc= 0.699 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -71:sc= 0.864 USER MOD Single : A 19 HIS :FLIP no HE2:sc= -0.293 F(o=-0.87,f=-0.29) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 46:sc= 0.152 USER MOD Single : A 27 CYS SG : rot -50:sc= -3.27! USER MOD Single : A 35 CYS SG : rot -135:sc= -0.575! USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 49 CYS SG : rot -56:sc= -1.56 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 61 HIS : no HD1:sc= -0.0421 K(o=-0.042,f=-0.68) USER MOD Single : A 64 SER OG : rot -162:sc= 1.06 USER MOD Single : A 65 SER OG : rot 180:sc= -0.199 USER MOD Single : A 70 GLN : amide:sc= -0.0142 K(o=-0.014,f=-1) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.339 K(o=-0.34,f=-7.8!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.854 K(o=-0.85,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.912 19.430 -1.393 1.00 6.47 N ATOM 2 CA MET A 1 -8.534 18.869 -0.154 1.00 6.12 C ATOM 3 C MET A 1 -8.691 17.381 -0.328 1.00 5.36 C ATOM 4 O MET A 1 -9.098 16.680 0.593 1.00 5.57 O ATOM 5 CB MET A 1 -9.926 19.474 0.054 1.00 6.42 C ATOM 6 CG MET A 1 -9.901 20.993 -0.147 1.00 7.39 C ATOM 7 SD MET A 1 -11.588 21.574 -0.444 1.00 8.03 S ATOM 8 CE MET A 1 -12.370 20.726 0.953 1.00 8.13 C ATOM 0 H1 MET A 1 -7.672 20.430 -1.239 1.00 6.47 H new ATOM 0 H2 MET A 1 -7.048 18.898 -1.619 1.00 6.47 H new ATOM 0 H3 MET A 1 -8.583 19.353 -2.184 1.00 6.47 H new ATOM 0 HA MET A 1 -7.901 19.100 0.703 1.00 6.12 H new ATOM 0 HB2 MET A 1 -10.630 19.023 -0.645 1.00 6.42 H new ATOM 0 HB3 MET A 1 -10.281 19.242 1.058 1.00 6.42 H new ATOM 0 HG2 MET A 1 -9.483 21.483 0.733 1.00 7.39 H new ATOM 0 HG3 MET A 1 -9.260 21.251 -0.990 1.00 7.39 H new ATOM 0 HE1 MET A 1 -13.321 21.205 1.183 1.00 8.13 H new ATOM 0 HE2 MET A 1 -12.543 19.682 0.694 1.00 8.13 H new ATOM 0 HE3 MET A 1 -11.716 20.780 1.824 1.00 8.13 H new ATOM 18 N TRP A 2 -8.386 16.919 -1.528 1.00 4.86 N ATOM 19 CA TRP A 2 -8.510 15.516 -1.856 1.00 4.44 C ATOM 20 C TRP A 2 -7.154 14.931 -2.260 1.00 3.63 C ATOM 21 O TRP A 2 -6.887 14.718 -3.439 1.00 3.11 O ATOM 22 CB TRP A 2 -9.525 15.343 -2.997 1.00 4.67 C ATOM 23 CG TRP A 2 -10.228 16.643 -3.268 1.00 4.95 C ATOM 24 CD1 TRP A 2 -9.619 17.815 -3.582 1.00 5.42 C ATOM 25 CD2 TRP A 2 -11.663 16.913 -3.275 1.00 5.27 C ATOM 26 NE1 TRP A 2 -10.586 18.788 -3.756 1.00 5.93 N ATOM 27 CE2 TRP A 2 -11.861 18.283 -3.585 1.00 5.86 C ATOM 28 CE3 TRP A 2 -12.800 16.114 -3.040 1.00 5.52 C ATOM 29 CZ2 TRP A 2 -13.139 18.837 -3.659 1.00 6.53 C ATOM 30 CZ3 TRP A 2 -14.085 16.675 -3.117 1.00 6.27 C ATOM 31 CH2 TRP A 2 -14.251 18.030 -3.425 1.00 6.71 C ATOM 0 H TRP A 2 -8.049 17.502 -2.294 1.00 4.86 H new ATOM 0 HA TRP A 2 -8.861 14.979 -0.975 1.00 4.44 H new ATOM 0 HB2 TRP A 2 -9.015 15.002 -3.898 1.00 4.67 H new ATOM 0 HB3 TRP A 2 -10.253 14.576 -2.733 1.00 4.67 H new ATOM 0 HD1 TRP A 2 -8.554 17.963 -3.680 1.00 5.42 H new ATOM 0 HE1 TRP A 2 -10.383 19.761 -3.983 1.00 5.93 H new ATOM 0 HE3 TRP A 2 -12.683 15.068 -2.800 1.00 5.52 H new ATOM 0 HZ2 TRP A 2 -13.266 19.883 -3.896 1.00 6.53 H new ATOM 0 HZ3 TRP A 2 -14.952 16.056 -2.937 1.00 6.27 H new ATOM 0 HH2 TRP A 2 -15.244 18.452 -3.482 1.00 6.71 H new ATOM 42 N PRO A 3 -6.299 14.646 -1.312 1.00 3.85 N ATOM 43 CA PRO A 3 -4.963 14.058 -1.612 1.00 3.33 C ATOM 44 C PRO A 3 -5.150 12.702 -2.255 1.00 2.17 C ATOM 45 O PRO A 3 -4.309 12.218 -3.010 1.00 2.38 O ATOM 46 CB PRO A 3 -4.287 13.940 -0.244 1.00 4.32 C ATOM 47 CG PRO A 3 -5.406 13.956 0.743 1.00 5.23 C ATOM 48 CD PRO A 3 -6.497 14.835 0.133 1.00 4.95 C ATOM 0 HA PRO A 3 -4.367 14.655 -2.302 1.00 3.33 H new ATOM 0 HB2 PRO A 3 -3.707 13.020 -0.168 1.00 4.32 H new ATOM 0 HB3 PRO A 3 -3.597 14.766 -0.072 1.00 4.32 H new ATOM 0 HG2 PRO A 3 -5.776 12.948 0.929 1.00 5.23 H new ATOM 0 HG3 PRO A 3 -5.074 14.355 1.702 1.00 5.23 H new ATOM 0 HD2 PRO A 3 -7.492 14.522 0.449 1.00 4.95 H new ATOM 0 HD3 PRO A 3 -6.384 15.880 0.423 1.00 4.95 H new ATOM 56 N THR A 4 -6.300 12.126 -1.957 1.00 1.58 N ATOM 57 CA THR A 4 -6.683 10.844 -2.500 1.00 0.98 C ATOM 58 C THR A 4 -5.502 9.885 -2.612 1.00 0.87 C ATOM 59 O THR A 4 -4.822 9.839 -3.632 1.00 1.19 O ATOM 60 CB THR A 4 -7.315 11.050 -3.880 1.00 1.89 C ATOM 61 OG1 THR A 4 -7.575 12.435 -4.070 1.00 2.61 O ATOM 62 CG2 THR A 4 -8.628 10.266 -3.970 1.00 2.46 C ATOM 0 H THR A 4 -6.992 12.537 -1.331 1.00 1.58 H new ATOM 0 HA THR A 4 -7.401 10.393 -1.815 1.00 0.98 H new ATOM 0 HB THR A 4 -6.632 10.693 -4.651 1.00 1.89 H new ATOM 0 HG1 THR A 4 -6.727 12.923 -4.118 1.00 2.61 H new ATOM 0 HG21 THR A 4 -9.074 10.415 -4.953 1.00 2.46 H new ATOM 0 HG22 THR A 4 -8.429 9.205 -3.819 1.00 2.46 H new ATOM 0 HG23 THR A 4 -9.316 10.619 -3.202 1.00 2.46 H new ATOM 70 N ARG A 5 -5.316 9.074 -1.578 1.00 0.61 N ATOM 71 CA ARG A 5 -4.276 8.052 -1.592 1.00 0.51 C ATOM 72 C ARG A 5 -4.999 6.739 -1.794 1.00 0.46 C ATOM 73 O ARG A 5 -5.613 6.213 -0.866 1.00 0.52 O ATOM 74 CB ARG A 5 -3.490 8.020 -0.281 1.00 0.52 C ATOM 75 CG ARG A 5 -2.706 9.320 -0.111 1.00 0.76 C ATOM 76 CD ARG A 5 -1.905 9.252 1.191 1.00 0.82 C ATOM 77 NE ARG A 5 -1.293 10.542 1.471 1.00 1.41 N ATOM 78 CZ ARG A 5 -1.073 10.946 2.719 1.00 1.61 C ATOM 79 NH1 ARG A 5 -1.404 10.184 3.726 1.00 2.15 N ATOM 80 NH2 ARG A 5 -0.528 12.109 2.936 1.00 1.74 N ATOM 0 H ARG A 5 -5.869 9.103 -0.722 1.00 0.61 H new ATOM 0 HA ARG A 5 -3.549 8.254 -2.379 1.00 0.51 H new ATOM 0 HB2 ARG A 5 -4.172 7.884 0.558 1.00 0.52 H new ATOM 0 HB3 ARG A 5 -2.807 7.170 -0.277 1.00 0.52 H new ATOM 0 HG2 ARG A 5 -2.036 9.469 -0.958 1.00 0.76 H new ATOM 0 HG3 ARG A 5 -3.387 10.171 -0.090 1.00 0.76 H new ATOM 0 HD2 ARG A 5 -2.559 8.965 2.014 1.00 0.82 H new ATOM 0 HD3 ARG A 5 -1.135 8.485 1.113 1.00 0.82 H new ATOM 0 HE ARG A 5 -1.027 11.148 0.695 1.00 1.41 H new ATOM 0 HH11 ARG A 5 -1.833 9.274 3.558 1.00 2.15 H new ATOM 0 HH12 ARG A 5 -1.233 10.498 4.681 1.00 2.15 H new ATOM 0 HH21 ARG A 5 -0.271 12.707 2.150 1.00 1.74 H new ATOM 0 HH22 ARG A 5 -0.358 12.422 3.892 1.00 1.74 H new ATOM 94 N ARG A 6 -5.001 6.260 -3.025 1.00 0.42 N ATOM 95 CA ARG A 6 -5.750 5.057 -3.345 1.00 0.43 C ATOM 96 C ARG A 6 -4.902 3.804 -3.394 1.00 0.36 C ATOM 97 O ARG A 6 -3.765 3.813 -3.870 1.00 0.35 O ATOM 98 CB ARG A 6 -6.400 5.230 -4.712 1.00 0.54 C ATOM 99 CG ARG A 6 -7.417 6.363 -4.660 1.00 1.33 C ATOM 100 CD ARG A 6 -8.049 6.526 -6.040 1.00 1.34 C ATOM 101 NE ARG A 6 -9.015 7.611 -6.025 1.00 1.93 N ATOM 102 CZ ARG A 6 -9.665 7.958 -7.126 1.00 2.43 C ATOM 103 NH1 ARG A 6 -9.451 7.312 -8.240 1.00 2.93 N ATOM 104 NH2 ARG A 6 -10.522 8.941 -7.093 1.00 2.85 N ATOM 0 H ARG A 6 -4.501 6.678 -3.810 1.00 0.42 H new ATOM 0 HA ARG A 6 -6.481 4.929 -2.546 1.00 0.43 H new ATOM 0 HB2 ARG A 6 -5.639 5.446 -5.462 1.00 0.54 H new ATOM 0 HB3 ARG A 6 -6.889 4.303 -5.012 1.00 0.54 H new ATOM 0 HG2 ARG A 6 -8.185 6.146 -3.917 1.00 1.33 H new ATOM 0 HG3 ARG A 6 -6.932 7.291 -4.356 1.00 1.33 H new ATOM 0 HD2 ARG A 6 -7.275 6.729 -6.781 1.00 1.34 H new ATOM 0 HD3 ARG A 6 -8.538 5.598 -6.336 1.00 1.34 H new ATOM 0 HE ARG A 6 -9.195 8.112 -5.155 1.00 1.93 H new ATOM 0 HH11 ARG A 6 -8.784 6.541 -8.262 1.00 2.93 H new ATOM 0 HH12 ARG A 6 -9.951 7.578 -9.088 1.00 2.93 H new ATOM 0 HH21 ARG A 6 -10.691 9.441 -6.220 1.00 2.85 H new ATOM 0 HH22 ARG A 6 -11.023 9.209 -7.940 1.00 2.85 H new ATOM 118 N LEU A 7 -5.515 2.713 -2.963 1.00 0.35 N ATOM 119 CA LEU A 7 -4.879 1.418 -3.024 1.00 0.30 C ATOM 120 C LEU A 7 -5.618 0.594 -4.068 1.00 0.27 C ATOM 121 O LEU A 7 -6.744 0.149 -3.835 1.00 0.28 O ATOM 122 CB LEU A 7 -4.938 0.694 -1.676 1.00 0.31 C ATOM 123 CG LEU A 7 -3.921 1.271 -0.690 1.00 0.91 C ATOM 124 CD1 LEU A 7 -4.114 0.609 0.678 1.00 1.40 C ATOM 125 CD2 LEU A 7 -2.501 0.979 -1.174 1.00 1.39 C ATOM 0 H LEU A 7 -6.455 2.705 -2.567 1.00 0.35 H new ATOM 0 HA LEU A 7 -3.828 1.546 -3.282 1.00 0.30 H new ATOM 0 HB2 LEU A 7 -5.941 0.779 -1.259 1.00 0.31 H new ATOM 0 HB3 LEU A 7 -4.743 -0.368 -1.823 1.00 0.31 H new ATOM 0 HG LEU A 7 -4.070 2.348 -0.616 1.00 0.91 H new ATOM 0 HD11 LEU A 7 -3.391 1.017 1.385 1.00 1.40 H new ATOM 0 HD12 LEU A 7 -5.124 0.805 1.038 1.00 1.40 H new ATOM 0 HD13 LEU A 7 -3.964 -0.467 0.586 1.00 1.40 H new ATOM 0 HD21 LEU A 7 -1.783 1.393 -0.466 1.00 1.39 H new ATOM 0 HD22 LEU A 7 -2.356 -0.099 -1.249 1.00 1.39 H new ATOM 0 HD23 LEU A 7 -2.349 1.434 -2.153 1.00 1.39 H new ATOM 137 N VAL A 8 -4.998 0.405 -5.222 1.00 0.29 N ATOM 138 CA VAL A 8 -5.630 -0.358 -6.286 1.00 0.31 C ATOM 139 C VAL A 8 -5.148 -1.793 -6.244 1.00 0.30 C ATOM 140 O VAL A 8 -3.948 -2.057 -6.191 1.00 0.29 O ATOM 141 CB VAL A 8 -5.317 0.249 -7.660 1.00 0.38 C ATOM 142 CG1 VAL A 8 -5.980 -0.586 -8.762 1.00 0.52 C ATOM 143 CG2 VAL A 8 -5.852 1.679 -7.721 1.00 0.42 C ATOM 0 H VAL A 8 -4.070 0.764 -5.444 1.00 0.29 H new ATOM 0 HA VAL A 8 -6.709 -0.327 -6.133 1.00 0.31 H new ATOM 0 HB VAL A 8 -4.237 0.254 -7.810 1.00 0.38 H new ATOM 0 HG11 VAL A 8 -5.754 -0.150 -9.735 1.00 0.52 H new ATOM 0 HG12 VAL A 8 -5.599 -1.606 -8.724 1.00 0.52 H new ATOM 0 HG13 VAL A 8 -7.059 -0.596 -8.611 1.00 0.52 H new ATOM 0 HG21 VAL A 8 -5.629 2.109 -8.697 1.00 0.42 H new ATOM 0 HG22 VAL A 8 -6.931 1.671 -7.566 1.00 0.42 H new ATOM 0 HG23 VAL A 8 -5.378 2.278 -6.944 1.00 0.42 H new ATOM 153 N THR A 9 -6.092 -2.714 -6.272 1.00 0.34 N ATOM 154 CA THR A 9 -5.756 -4.121 -6.239 1.00 0.37 C ATOM 155 C THR A 9 -5.853 -4.709 -7.635 1.00 0.46 C ATOM 156 O THR A 9 -6.942 -4.813 -8.199 1.00 0.68 O ATOM 157 CB THR A 9 -6.715 -4.861 -5.305 1.00 0.51 C ATOM 158 OG1 THR A 9 -6.620 -4.307 -4.000 1.00 0.55 O ATOM 159 CG2 THR A 9 -6.352 -6.346 -5.258 1.00 0.57 C ATOM 0 H THR A 9 -7.091 -2.514 -6.317 1.00 0.34 H new ATOM 0 HA THR A 9 -4.736 -4.233 -5.872 1.00 0.37 H new ATOM 0 HB THR A 9 -7.734 -4.755 -5.676 1.00 0.51 H new ATOM 0 HG1 THR A 9 -5.976 -4.823 -3.472 1.00 0.55 H new ATOM 0 HG21 THR A 9 -7.039 -6.867 -4.591 1.00 0.57 H new ATOM 0 HG22 THR A 9 -6.426 -6.770 -6.259 1.00 0.57 H new ATOM 0 HG23 THR A 9 -5.332 -6.460 -4.890 1.00 0.57 H new ATOM 167 N ILE A 10 -4.715 -5.108 -8.191 1.00 0.39 N ATOM 168 CA ILE A 10 -4.721 -5.696 -9.515 1.00 0.51 C ATOM 169 C ILE A 10 -5.445 -7.029 -9.438 1.00 0.63 C ATOM 170 O ILE A 10 -5.060 -7.913 -8.674 1.00 0.65 O ATOM 171 CB ILE A 10 -3.281 -5.900 -9.992 1.00 0.52 C ATOM 172 CG1 ILE A 10 -2.592 -4.538 -10.085 1.00 0.54 C ATOM 173 CG2 ILE A 10 -3.280 -6.571 -11.368 1.00 0.66 C ATOM 174 CD1 ILE A 10 -1.083 -4.731 -10.256 1.00 0.87 C ATOM 0 H ILE A 10 -3.797 -5.036 -7.753 1.00 0.39 H new ATOM 0 HA ILE A 10 -5.228 -5.040 -10.223 1.00 0.51 H new ATOM 0 HB ILE A 10 -2.748 -6.538 -9.287 1.00 0.52 H new ATOM 0 HG12 ILE A 10 -2.993 -3.974 -10.927 1.00 0.54 H new ATOM 0 HG13 ILE A 10 -2.794 -3.956 -9.186 1.00 0.54 H new ATOM 0 HG21 ILE A 10 -2.252 -6.714 -11.702 1.00 0.66 H new ATOM 0 HG22 ILE A 10 -3.778 -7.539 -11.301 1.00 0.66 H new ATOM 0 HG23 ILE A 10 -3.809 -5.939 -12.081 1.00 0.66 H new ATOM 0 HD11 ILE A 10 -0.597 -3.758 -10.322 1.00 0.87 H new ATOM 0 HD12 ILE A 10 -0.687 -5.277 -9.400 1.00 0.87 H new ATOM 0 HD13 ILE A 10 -0.889 -5.296 -11.168 1.00 0.87 H new ATOM 186 N LYS A 11 -6.516 -7.157 -10.206 1.00 0.84 N ATOM 187 CA LYS A 11 -7.303 -8.378 -10.179 1.00 1.03 C ATOM 188 C LYS A 11 -6.431 -9.564 -10.543 1.00 1.12 C ATOM 189 O LYS A 11 -6.254 -10.490 -9.753 1.00 1.75 O ATOM 190 CB LYS A 11 -8.439 -8.264 -11.191 1.00 1.29 C ATOM 191 CG LYS A 11 -9.581 -9.193 -10.799 1.00 1.49 C ATOM 192 CD LYS A 11 -10.756 -8.955 -11.743 1.00 1.92 C ATOM 193 CE LYS A 11 -11.935 -9.830 -11.319 1.00 2.57 C ATOM 194 NZ LYS A 11 -13.103 -9.527 -12.193 1.00 2.98 N ATOM 0 H LYS A 11 -6.856 -6.440 -10.847 1.00 0.84 H new ATOM 0 HA LYS A 11 -7.707 -8.523 -9.177 1.00 1.03 H new ATOM 0 HB2 LYS A 11 -8.795 -7.235 -11.236 1.00 1.29 H new ATOM 0 HB3 LYS A 11 -8.077 -8.519 -12.187 1.00 1.29 H new ATOM 0 HG2 LYS A 11 -9.258 -10.232 -10.854 1.00 1.49 H new ATOM 0 HG3 LYS A 11 -9.882 -9.007 -9.768 1.00 1.49 H new ATOM 0 HD2 LYS A 11 -11.044 -7.904 -11.724 1.00 1.92 H new ATOM 0 HD3 LYS A 11 -10.466 -9.188 -12.768 1.00 1.92 H new ATOM 0 HE2 LYS A 11 -11.669 -10.884 -11.398 1.00 2.57 H new ATOM 0 HE3 LYS A 11 -12.187 -9.642 -10.275 1.00 2.57 H new ATOM 0 HZ1 LYS A 11 -13.910 -10.119 -11.911 1.00 2.98 H new ATOM 0 HZ2 LYS A 11 -13.358 -8.524 -12.096 1.00 2.98 H new ATOM 0 HZ3 LYS A 11 -12.857 -9.727 -13.183 1.00 2.98 H new ATOM 208 N ARG A 12 -5.865 -9.505 -11.737 1.00 1.47 N ATOM 209 CA ARG A 12 -4.990 -10.557 -12.209 1.00 1.66 C ATOM 210 C ARG A 12 -3.869 -9.939 -13.029 1.00 1.80 C ATOM 211 O ARG A 12 -3.802 -8.722 -13.184 1.00 2.54 O ATOM 212 CB ARG A 12 -5.772 -11.574 -13.049 1.00 2.29 C ATOM 213 CG ARG A 12 -5.038 -12.922 -13.045 1.00 2.89 C ATOM 214 CD ARG A 12 -6.042 -14.053 -13.269 1.00 3.62 C ATOM 215 NE ARG A 12 -6.646 -13.944 -14.592 1.00 4.33 N ATOM 216 CZ ARG A 12 -6.789 -15.004 -15.385 1.00 4.96 C ATOM 217 NH1 ARG A 12 -6.353 -16.172 -15.002 1.00 5.23 N ATOM 218 NH2 ARG A 12 -7.368 -14.875 -16.548 1.00 5.52 N ATOM 0 H ARG A 12 -5.998 -8.737 -12.395 1.00 1.47 H new ATOM 0 HA ARG A 12 -4.567 -11.085 -11.354 1.00 1.66 H new ATOM 0 HB2 ARG A 12 -6.778 -11.696 -12.647 1.00 2.29 H new ATOM 0 HB3 ARG A 12 -5.879 -11.210 -14.071 1.00 2.29 H new ATOM 0 HG2 ARG A 12 -4.278 -12.936 -13.827 1.00 2.89 H new ATOM 0 HG3 ARG A 12 -4.521 -13.063 -12.096 1.00 2.89 H new ATOM 0 HD2 ARG A 12 -5.542 -15.016 -13.169 1.00 3.62 H new ATOM 0 HD3 ARG A 12 -6.818 -14.016 -12.504 1.00 3.62 H new ATOM 0 HE ARG A 12 -6.967 -13.032 -14.918 1.00 4.33 H new ATOM 0 HH11 ARG A 12 -5.901 -16.275 -14.093 1.00 5.23 H new ATOM 0 HH12 ARG A 12 -6.464 -16.983 -15.611 1.00 5.23 H new ATOM 0 HH21 ARG A 12 -7.711 -13.963 -16.849 1.00 5.52 H new ATOM 0 HH22 ARG A 12 -7.478 -15.687 -17.156 1.00 5.52 H new ATOM 232 N SER A 13 -2.980 -10.769 -13.531 1.00 1.91 N ATOM 233 CA SER A 13 -1.854 -10.274 -14.306 1.00 2.48 C ATOM 234 C SER A 13 -2.297 -9.641 -15.624 1.00 2.40 C ATOM 235 O SER A 13 -2.546 -10.350 -16.599 1.00 2.86 O ATOM 236 CB SER A 13 -0.897 -11.428 -14.600 1.00 3.38 C ATOM 237 OG SER A 13 -0.340 -11.252 -15.896 1.00 3.85 O ATOM 0 H SER A 13 -3.011 -11.782 -13.420 1.00 1.91 H new ATOM 0 HA SER A 13 -1.359 -9.503 -13.716 1.00 2.48 H new ATOM 0 HB2 SER A 13 -0.105 -11.460 -13.852 1.00 3.38 H new ATOM 0 HB3 SER A 13 -1.427 -12.379 -14.544 1.00 3.38 H new ATOM 0 HG SER A 13 -1.028 -11.421 -16.573 1.00 3.85 H new ATOM 243 N GLY A 14 -2.341 -8.304 -15.671 1.00 2.40 N ATOM 244 CA GLY A 14 -2.695 -7.626 -16.914 1.00 2.73 C ATOM 245 C GLY A 14 -3.812 -6.582 -16.795 1.00 2.32 C ATOM 246 O GLY A 14 -3.887 -5.682 -17.631 1.00 2.65 O ATOM 0 H GLY A 14 -2.141 -7.688 -14.883 1.00 2.40 H new ATOM 0 HA2 GLY A 14 -1.804 -7.138 -17.309 1.00 2.73 H new ATOM 0 HA3 GLY A 14 -2.998 -8.376 -17.645 1.00 2.73 H new ATOM 250 N VAL A 15 -4.703 -6.701 -15.813 1.00 1.99 N ATOM 251 CA VAL A 15 -5.804 -5.739 -15.718 1.00 1.85 C ATOM 252 C VAL A 15 -5.996 -5.166 -14.322 1.00 1.53 C ATOM 253 O VAL A 15 -5.631 -5.775 -13.319 1.00 1.70 O ATOM 254 CB VAL A 15 -7.106 -6.406 -16.156 1.00 2.27 C ATOM 255 CG1 VAL A 15 -7.036 -6.752 -17.644 1.00 2.93 C ATOM 256 CG2 VAL A 15 -7.319 -7.686 -15.346 1.00 2.74 C ATOM 0 H VAL A 15 -4.690 -7.425 -15.095 1.00 1.99 H new ATOM 0 HA VAL A 15 -5.541 -4.909 -16.374 1.00 1.85 H new ATOM 0 HB VAL A 15 -7.936 -5.721 -15.985 1.00 2.27 H new ATOM 0 HG11 VAL A 15 -7.967 -7.228 -17.951 1.00 2.93 H new ATOM 0 HG12 VAL A 15 -6.886 -5.841 -18.223 1.00 2.93 H new ATOM 0 HG13 VAL A 15 -6.205 -7.435 -17.820 1.00 2.93 H new ATOM 0 HG21 VAL A 15 -8.248 -8.163 -15.657 1.00 2.74 H new ATOM 0 HG22 VAL A 15 -6.486 -8.368 -15.517 1.00 2.74 H new ATOM 0 HG23 VAL A 15 -7.375 -7.440 -14.286 1.00 2.74 H new ATOM 266 N ASP A 16 -6.608 -3.984 -14.290 1.00 1.45 N ATOM 267 CA ASP A 16 -6.900 -3.297 -13.042 1.00 1.19 C ATOM 268 C ASP A 16 -8.154 -3.882 -12.407 1.00 1.08 C ATOM 269 O ASP A 16 -9.113 -4.216 -13.103 1.00 1.65 O ATOM 270 CB ASP A 16 -7.118 -1.805 -13.309 1.00 1.28 C ATOM 271 CG ASP A 16 -5.799 -1.143 -13.692 1.00 1.52 C ATOM 272 OD1 ASP A 16 -4.766 -1.746 -13.455 1.00 1.97 O ATOM 273 OD2 ASP A 16 -5.843 -0.044 -14.219 1.00 2.09 O ATOM 0 H ASP A 16 -6.912 -3.482 -15.124 1.00 1.45 H new ATOM 0 HA ASP A 16 -6.057 -3.427 -12.364 1.00 1.19 H new ATOM 0 HB2 ASP A 16 -7.846 -1.673 -14.110 1.00 1.28 H new ATOM 0 HB3 ASP A 16 -7.530 -1.325 -12.421 1.00 1.28 H new ATOM 278 N GLY A 17 -8.143 -3.995 -11.086 1.00 0.81 N ATOM 279 CA GLY A 17 -9.290 -4.535 -10.364 1.00 0.85 C ATOM 280 C GLY A 17 -9.973 -3.445 -9.542 1.00 0.75 C ATOM 281 O GLY A 17 -9.722 -2.256 -9.739 1.00 0.73 O ATOM 0 H GLY A 17 -7.358 -3.722 -10.494 1.00 0.81 H new ATOM 0 HA2 GLY A 17 -10.001 -4.964 -11.070 1.00 0.85 H new ATOM 0 HA3 GLY A 17 -8.965 -5.343 -9.708 1.00 0.85 H new ATOM 285 N PRO A 18 -10.821 -3.831 -8.628 1.00 0.78 N ATOM 286 CA PRO A 18 -11.556 -2.872 -7.748 1.00 0.75 C ATOM 287 C PRO A 18 -10.599 -2.014 -6.926 1.00 0.59 C ATOM 288 O PRO A 18 -9.536 -2.475 -6.512 1.00 0.59 O ATOM 289 CB PRO A 18 -12.394 -3.778 -6.837 1.00 0.91 C ATOM 290 CG PRO A 18 -12.482 -5.085 -7.552 1.00 1.11 C ATOM 291 CD PRO A 18 -11.181 -5.224 -8.335 1.00 0.93 C ATOM 0 HA PRO A 18 -12.159 -2.167 -8.321 1.00 0.75 H new ATOM 0 HB2 PRO A 18 -11.925 -3.895 -5.860 1.00 0.91 H new ATOM 0 HB3 PRO A 18 -13.384 -3.356 -6.666 1.00 0.91 H new ATOM 0 HG2 PRO A 18 -12.603 -5.908 -6.847 1.00 1.11 H new ATOM 0 HG3 PRO A 18 -13.343 -5.107 -8.219 1.00 1.11 H new ATOM 0 HD2 PRO A 18 -10.410 -5.726 -7.750 1.00 0.93 H new ATOM 0 HD3 PRO A 18 -11.319 -5.805 -9.247 1.00 0.93 H new ATOM 299 N HIS A 19 -10.979 -0.762 -6.700 1.00 0.53 N ATOM 300 CA HIS A 19 -10.140 0.152 -5.933 1.00 0.40 C ATOM 301 C HIS A 19 -10.488 0.089 -4.452 1.00 0.37 C ATOM 302 O HIS A 19 -11.511 -0.478 -4.068 1.00 0.48 O ATOM 303 CB HIS A 19 -10.321 1.580 -6.437 1.00 0.45 C ATOM 304 CG HIS A 19 -10.164 1.601 -7.933 1.00 0.55 C ATOM 305 ND1 HIS A 19 -9.665 0.674 -8.812 1.00 1.11 N flip ATOM 306 CD2 HIS A 19 -10.556 2.683 -8.705 1.00 0.64 C flip ATOM 307 CE1 HIS A 19 -9.742 1.169 -10.111 1.00 1.10 C flip ATOM 308 NE2 HIS A 19 -10.287 2.382 -9.991 1.00 0.69 N flip ATOM 0 H HIS A 19 -11.855 -0.359 -7.033 1.00 0.53 H new ATOM 0 HA HIS A 19 -9.101 -0.150 -6.064 1.00 0.40 H new ATOM 0 HB2 HIS A 19 -11.306 1.955 -6.158 1.00 0.45 H new ATOM 0 HB3 HIS A 19 -9.586 2.238 -5.973 1.00 0.45 H new ATOM 0 HD1 HIS A 19 -9.294 -0.240 -8.553 1.00 1.11 H new ATOM 0 HD2 HIS A 19 -10.997 3.600 -8.342 1.00 0.64 H new ATOM 0 HE1 HIS A 19 -9.428 0.678 -11.020 1.00 1.10 H new ATOM 317 N PHE A 20 -9.625 0.665 -3.622 1.00 0.30 N ATOM 318 CA PHE A 20 -9.850 0.657 -2.182 1.00 0.29 C ATOM 319 C PHE A 20 -9.516 2.013 -1.556 1.00 0.30 C ATOM 320 O PHE A 20 -8.376 2.256 -1.164 1.00 0.37 O ATOM 321 CB PHE A 20 -8.981 -0.420 -1.535 1.00 0.30 C ATOM 322 CG PHE A 20 -9.325 -0.516 -0.068 1.00 0.24 C ATOM 323 CD1 PHE A 20 -10.369 -1.346 0.353 1.00 0.29 C ATOM 324 CD2 PHE A 20 -8.607 0.235 0.867 1.00 0.38 C ATOM 325 CE1 PHE A 20 -10.695 -1.425 1.712 1.00 0.37 C ATOM 326 CE2 PHE A 20 -8.934 0.159 2.227 1.00 0.45 C ATOM 327 CZ PHE A 20 -9.976 -0.672 2.649 1.00 0.40 C ATOM 0 H PHE A 20 -8.772 1.139 -3.918 1.00 0.30 H new ATOM 0 HA PHE A 20 -10.905 0.448 -2.008 1.00 0.29 H new ATOM 0 HB2 PHE A 20 -9.146 -1.380 -2.024 1.00 0.30 H new ATOM 0 HB3 PHE A 20 -7.926 -0.177 -1.659 1.00 0.30 H new ATOM 0 HD1 PHE A 20 -10.923 -1.926 -0.370 1.00 0.29 H new ATOM 0 HD2 PHE A 20 -7.800 0.874 0.541 1.00 0.38 H new ATOM 0 HE1 PHE A 20 -11.501 -2.066 2.038 1.00 0.37 H new ATOM 0 HE2 PHE A 20 -8.382 0.742 2.949 1.00 0.45 H new ATOM 0 HZ PHE A 20 -10.227 -0.733 3.698 1.00 0.40 H new ATOM 337 N PRO A 21 -10.483 2.892 -1.439 1.00 0.37 N ATOM 338 CA PRO A 21 -10.274 4.239 -0.821 1.00 0.43 C ATOM 339 C PRO A 21 -9.808 4.122 0.628 1.00 0.43 C ATOM 340 O PRO A 21 -10.238 3.223 1.350 1.00 0.43 O ATOM 341 CB PRO A 21 -11.661 4.892 -0.891 1.00 0.53 C ATOM 342 CG PRO A 21 -12.394 4.144 -1.953 1.00 0.89 C ATOM 343 CD PRO A 21 -11.874 2.713 -1.883 1.00 0.53 C ATOM 0 HA PRO A 21 -9.503 4.815 -1.333 1.00 0.43 H new ATOM 0 HB2 PRO A 21 -12.177 4.823 0.067 1.00 0.53 H new ATOM 0 HB3 PRO A 21 -11.585 5.951 -1.137 1.00 0.53 H new ATOM 0 HG2 PRO A 21 -13.470 4.178 -1.784 1.00 0.89 H new ATOM 0 HG3 PRO A 21 -12.212 4.579 -2.935 1.00 0.89 H new ATOM 0 HD2 PRO A 21 -12.448 2.108 -1.181 1.00 0.53 H new ATOM 0 HD3 PRO A 21 -11.929 2.215 -2.851 1.00 0.53 H new ATOM 351 N LEU A 22 -8.931 5.027 1.056 1.00 0.47 N ATOM 352 CA LEU A 22 -8.438 4.979 2.431 1.00 0.48 C ATOM 353 C LEU A 22 -9.268 5.867 3.345 1.00 0.56 C ATOM 354 O LEU A 22 -9.224 7.093 3.248 1.00 0.84 O ATOM 355 CB LEU A 22 -6.975 5.436 2.507 1.00 0.51 C ATOM 356 CG LEU A 22 -6.072 4.489 1.711 1.00 0.77 C ATOM 357 CD1 LEU A 22 -4.619 4.949 1.843 1.00 1.28 C ATOM 358 CD2 LEU A 22 -6.198 3.070 2.263 1.00 1.33 C ATOM 0 H LEU A 22 -8.554 5.785 0.487 1.00 0.47 H new ATOM 0 HA LEU A 22 -8.518 3.943 2.760 1.00 0.48 H new ATOM 0 HB2 LEU A 22 -6.884 6.449 2.115 1.00 0.51 H new ATOM 0 HB3 LEU A 22 -6.652 5.467 3.547 1.00 0.51 H new ATOM 0 HG LEU A 22 -6.373 4.500 0.663 1.00 0.77 H new ATOM 0 HD11 LEU A 22 -3.972 4.278 1.278 1.00 1.28 H new ATOM 0 HD12 LEU A 22 -4.521 5.962 1.452 1.00 1.28 H new ATOM 0 HD13 LEU A 22 -4.327 4.936 2.893 1.00 1.28 H new ATOM 0 HD21 LEU A 22 -5.554 2.400 1.694 1.00 1.33 H new ATOM 0 HD22 LEU A 22 -5.898 3.059 3.311 1.00 1.33 H new ATOM 0 HD23 LEU A 22 -7.233 2.737 2.179 1.00 1.33 H new ATOM 370 N SER A 23 -10.005 5.235 4.253 1.00 0.59 N ATOM 371 CA SER A 23 -10.823 5.970 5.208 1.00 0.74 C ATOM 372 C SER A 23 -10.111 6.014 6.553 1.00 0.59 C ATOM 373 O SER A 23 -10.368 6.888 7.381 1.00 0.68 O ATOM 374 CB SER A 23 -12.183 5.291 5.375 1.00 0.97 C ATOM 375 OG SER A 23 -12.610 4.771 4.123 1.00 1.32 O ATOM 0 H SER A 23 -10.052 4.220 4.347 1.00 0.59 H new ATOM 0 HA SER A 23 -10.977 6.983 4.837 1.00 0.74 H new ATOM 0 HB2 SER A 23 -12.113 4.489 6.109 1.00 0.97 H new ATOM 0 HB3 SER A 23 -12.914 6.006 5.753 1.00 0.97 H new ATOM 0 HG SER A 23 -13.481 4.334 4.230 1.00 1.32 H new ATOM 381 N LEU A 24 -9.215 5.054 6.755 1.00 0.50 N ATOM 382 CA LEU A 24 -8.456 4.965 7.995 1.00 0.41 C ATOM 383 C LEU A 24 -6.978 5.234 7.736 1.00 0.37 C ATOM 384 O LEU A 24 -6.444 4.867 6.690 1.00 0.42 O ATOM 385 CB LEU A 24 -8.622 3.571 8.606 1.00 0.47 C ATOM 386 CG LEU A 24 -10.104 3.298 8.876 1.00 0.89 C ATOM 387 CD1 LEU A 24 -10.270 1.882 9.432 1.00 1.46 C ATOM 388 CD2 LEU A 24 -10.635 4.308 9.896 1.00 1.63 C ATOM 0 H LEU A 24 -8.997 4.326 6.074 1.00 0.50 H new ATOM 0 HA LEU A 24 -8.835 5.715 8.689 1.00 0.41 H new ATOM 0 HB2 LEU A 24 -8.221 2.817 7.929 1.00 0.47 H new ATOM 0 HB3 LEU A 24 -8.055 3.500 9.534 1.00 0.47 H new ATOM 0 HG LEU A 24 -10.663 3.393 7.945 1.00 0.89 H new ATOM 0 HD11 LEU A 24 -11.325 1.688 9.624 1.00 1.46 H new ATOM 0 HD12 LEU A 24 -9.894 1.160 8.707 1.00 1.46 H new ATOM 0 HD13 LEU A 24 -9.709 1.788 10.362 1.00 1.46 H new ATOM 0 HD21 LEU A 24 -11.690 4.112 10.087 1.00 1.63 H new ATOM 0 HD22 LEU A 24 -10.075 4.215 10.826 1.00 1.63 H new ATOM 0 HD23 LEU A 24 -10.519 5.318 9.502 1.00 1.63 H new ATOM 400 N SER A 25 -6.327 5.879 8.696 1.00 0.41 N ATOM 401 CA SER A 25 -4.911 6.198 8.564 1.00 0.46 C ATOM 402 C SER A 25 -4.067 4.928 8.574 1.00 0.40 C ATOM 403 O SER A 25 -2.900 4.945 8.180 1.00 0.56 O ATOM 404 CB SER A 25 -4.474 7.108 9.712 1.00 0.57 C ATOM 405 OG SER A 25 -4.716 6.452 10.949 1.00 0.57 O ATOM 0 H SER A 25 -6.753 6.190 9.569 1.00 0.41 H new ATOM 0 HA SER A 25 -4.763 6.710 7.613 1.00 0.46 H new ATOM 0 HB2 SER A 25 -3.416 7.350 9.617 1.00 0.57 H new ATOM 0 HB3 SER A 25 -5.021 8.050 9.673 1.00 0.57 H new ATOM 0 HG SER A 25 -4.435 7.032 11.687 1.00 0.57 H new ATOM 411 N THR A 26 -4.656 3.829 9.033 1.00 0.29 N ATOM 412 CA THR A 26 -3.940 2.559 9.094 1.00 0.30 C ATOM 413 C THR A 26 -4.605 1.503 8.214 1.00 0.29 C ATOM 414 O THR A 26 -5.780 1.183 8.393 1.00 0.36 O ATOM 415 CB THR A 26 -3.905 2.060 10.540 1.00 0.37 C ATOM 416 OG1 THR A 26 -5.207 2.149 11.100 1.00 0.52 O ATOM 417 CG2 THR A 26 -2.937 2.917 11.358 1.00 0.42 C ATOM 0 H THR A 26 -5.619 3.791 9.366 1.00 0.29 H new ATOM 0 HA THR A 26 -2.927 2.724 8.727 1.00 0.30 H new ATOM 0 HB THR A 26 -3.570 1.023 10.558 1.00 0.37 H new ATOM 0 HG1 THR A 26 -5.862 1.797 10.462 1.00 0.52 H new ATOM 0 HG21 THR A 26 -2.915 2.559 12.387 1.00 0.42 H new ATOM 0 HG22 THR A 26 -1.938 2.848 10.928 1.00 0.42 H new ATOM 0 HG23 THR A 26 -3.268 3.955 11.342 1.00 0.42 H new ATOM 425 N CYS A 27 -3.838 0.956 7.273 1.00 0.26 N ATOM 426 CA CYS A 27 -4.361 -0.078 6.379 1.00 0.26 C ATOM 427 C CYS A 27 -3.817 -1.451 6.772 1.00 0.26 C ATOM 428 O CYS A 27 -2.610 -1.632 6.913 1.00 0.32 O ATOM 429 CB CYS A 27 -3.977 0.231 4.933 1.00 0.30 C ATOM 430 SG CYS A 27 -5.467 0.639 3.991 1.00 1.08 S ATOM 0 H CYS A 27 -2.863 1.207 7.110 1.00 0.26 H new ATOM 0 HA CYS A 27 -5.447 -0.090 6.467 1.00 0.26 H new ATOM 0 HB2 CYS A 27 -3.274 1.063 4.902 1.00 0.30 H new ATOM 0 HB3 CYS A 27 -3.475 -0.627 4.487 1.00 0.30 H new ATOM 0 HG CYS A 27 -6.369 -0.276 4.188 1.00 1.08 H new ATOM 436 N LEU A 28 -4.721 -2.409 6.956 1.00 0.22 N ATOM 437 CA LEU A 28 -4.340 -3.762 7.350 1.00 0.23 C ATOM 438 C LEU A 28 -4.762 -4.783 6.287 1.00 0.20 C ATOM 439 O LEU A 28 -5.827 -4.663 5.676 1.00 0.21 O ATOM 440 CB LEU A 28 -4.987 -4.087 8.700 1.00 0.26 C ATOM 441 CG LEU A 28 -4.705 -5.538 9.100 1.00 0.36 C ATOM 442 CD1 LEU A 28 -3.212 -5.715 9.390 1.00 0.43 C ATOM 443 CD2 LEU A 28 -5.507 -5.873 10.361 1.00 0.67 C ATOM 0 H LEU A 28 -5.725 -2.273 6.838 1.00 0.22 H new ATOM 0 HA LEU A 28 -3.255 -3.817 7.443 1.00 0.23 H new ATOM 0 HB2 LEU A 28 -4.603 -3.412 9.465 1.00 0.26 H new ATOM 0 HB3 LEU A 28 -6.063 -3.923 8.642 1.00 0.26 H new ATOM 0 HG LEU A 28 -4.995 -6.202 8.286 1.00 0.36 H new ATOM 0 HD11 LEU A 28 -3.017 -6.749 9.674 1.00 0.43 H new ATOM 0 HD12 LEU A 28 -2.636 -5.469 8.498 1.00 0.43 H new ATOM 0 HD13 LEU A 28 -2.919 -5.053 10.205 1.00 0.43 H new ATOM 0 HD21 LEU A 28 -5.312 -6.905 10.653 1.00 0.67 H new ATOM 0 HD22 LEU A 28 -5.210 -5.205 11.169 1.00 0.67 H new ATOM 0 HD23 LEU A 28 -6.571 -5.748 10.160 1.00 0.67 H new ATOM 455 N PHE A 29 -3.900 -5.778 6.062 1.00 0.20 N ATOM 456 CA PHE A 29 -4.157 -6.816 5.059 1.00 0.19 C ATOM 457 C PHE A 29 -4.421 -8.169 5.719 1.00 0.19 C ATOM 458 O PHE A 29 -3.796 -8.500 6.726 1.00 0.23 O ATOM 459 CB PHE A 29 -2.925 -6.962 4.163 1.00 0.23 C ATOM 460 CG PHE A 29 -2.760 -5.746 3.286 1.00 0.22 C ATOM 461 CD1 PHE A 29 -2.466 -4.501 3.853 1.00 0.34 C ATOM 462 CD2 PHE A 29 -2.881 -5.871 1.898 1.00 0.25 C ATOM 463 CE1 PHE A 29 -2.293 -3.382 3.033 1.00 0.38 C ATOM 464 CE2 PHE A 29 -2.709 -4.754 1.078 1.00 0.25 C ATOM 465 CZ PHE A 29 -2.415 -3.508 1.646 1.00 0.27 C ATOM 0 H PHE A 29 -3.017 -5.887 6.561 1.00 0.20 H new ATOM 0 HA PHE A 29 -5.034 -6.520 4.483 1.00 0.19 H new ATOM 0 HB2 PHE A 29 -2.035 -7.097 4.778 1.00 0.23 H new ATOM 0 HB3 PHE A 29 -3.023 -7.853 3.543 1.00 0.23 H new ATOM 0 HD1 PHE A 29 -2.373 -4.404 4.925 1.00 0.34 H new ATOM 0 HD2 PHE A 29 -3.108 -6.832 1.460 1.00 0.25 H new ATOM 0 HE1 PHE A 29 -2.065 -2.421 3.471 1.00 0.38 H new ATOM 0 HE2 PHE A 29 -2.803 -4.851 0.006 1.00 0.25 H new ATOM 0 HZ PHE A 29 -2.282 -2.644 1.012 1.00 0.27 H new ATOM 475 N GLY A 30 -5.317 -8.970 5.132 1.00 0.19 N ATOM 476 CA GLY A 30 -5.588 -10.291 5.681 1.00 0.23 C ATOM 477 C GLY A 30 -7.051 -10.704 5.555 1.00 0.26 C ATOM 478 O GLY A 30 -7.922 -9.896 5.230 1.00 0.34 O ATOM 0 H GLY A 30 -5.852 -8.730 4.298 1.00 0.19 H new ATOM 0 HA2 GLY A 30 -4.964 -11.025 5.170 1.00 0.23 H new ATOM 0 HA3 GLY A 30 -5.302 -10.306 6.733 1.00 0.23 H new ATOM 482 N ARG A 31 -7.293 -11.984 5.830 1.00 0.33 N ATOM 483 CA ARG A 31 -8.631 -12.565 5.765 1.00 0.43 C ATOM 484 C ARG A 31 -9.560 -11.938 6.798 1.00 0.40 C ATOM 485 O ARG A 31 -10.733 -11.686 6.520 1.00 0.50 O ATOM 486 CB ARG A 31 -8.528 -14.065 6.038 1.00 0.61 C ATOM 487 CG ARG A 31 -7.870 -14.763 4.846 1.00 0.95 C ATOM 488 CD ARG A 31 -7.546 -16.211 5.222 1.00 0.98 C ATOM 489 NE ARG A 31 -8.751 -16.925 5.623 1.00 1.83 N ATOM 490 CZ ARG A 31 -8.675 -18.140 6.161 1.00 2.35 C ATOM 491 NH1 ARG A 31 -7.512 -18.712 6.314 1.00 2.56 N ATOM 492 NH2 ARG A 31 -9.760 -18.760 6.532 1.00 3.04 N ATOM 0 H ARG A 31 -6.567 -12.647 6.104 1.00 0.33 H new ATOM 0 HA ARG A 31 -9.043 -12.375 4.774 1.00 0.43 H new ATOM 0 HB2 ARG A 31 -7.945 -14.241 6.942 1.00 0.61 H new ATOM 0 HB3 ARG A 31 -9.520 -14.481 6.213 1.00 0.61 H new ATOM 0 HG2 ARG A 31 -8.536 -14.740 3.983 1.00 0.95 H new ATOM 0 HG3 ARG A 31 -6.959 -14.237 4.560 1.00 0.95 H new ATOM 0 HD2 ARG A 31 -7.084 -16.717 4.374 1.00 0.98 H new ATOM 0 HD3 ARG A 31 -6.821 -16.226 6.036 1.00 0.98 H new ATOM 0 HE ARG A 31 -9.663 -16.489 5.490 1.00 1.83 H new ATOM 0 HH11 ARG A 31 -6.663 -18.228 6.021 1.00 2.56 H new ATOM 0 HH12 ARG A 31 -7.452 -19.643 6.726 1.00 2.56 H new ATOM 0 HH21 ARG A 31 -10.669 -18.314 6.410 1.00 3.04 H new ATOM 0 HH22 ARG A 31 -9.700 -19.691 6.944 1.00 3.04 H new ATOM 506 N GLY A 32 -9.034 -11.703 7.993 1.00 0.38 N ATOM 507 CA GLY A 32 -9.834 -11.127 9.061 1.00 0.47 C ATOM 508 C GLY A 32 -10.601 -9.905 8.574 1.00 0.39 C ATOM 509 O GLY A 32 -10.069 -9.079 7.831 1.00 0.33 O ATOM 0 H GLY A 32 -8.065 -11.901 8.244 1.00 0.38 H new ATOM 0 HA2 GLY A 32 -10.534 -11.873 9.438 1.00 0.47 H new ATOM 0 HA3 GLY A 32 -9.188 -10.847 9.893 1.00 0.47 H new ATOM 513 N ILE A 33 -11.852 -9.792 9.007 1.00 0.45 N ATOM 514 CA ILE A 33 -12.686 -8.662 8.621 1.00 0.46 C ATOM 515 C ILE A 33 -12.102 -7.375 9.188 1.00 0.46 C ATOM 516 O ILE A 33 -12.299 -6.290 8.641 1.00 0.48 O ATOM 517 CB ILE A 33 -14.111 -8.863 9.139 1.00 0.60 C ATOM 518 CG1 ILE A 33 -15.008 -7.740 8.612 1.00 0.71 C ATOM 519 CG2 ILE A 33 -14.113 -8.848 10.669 1.00 0.69 C ATOM 520 CD1 ILE A 33 -16.475 -8.094 8.868 1.00 1.23 C ATOM 0 H ILE A 33 -12.308 -10.466 9.622 1.00 0.45 H new ATOM 0 HA ILE A 33 -12.713 -8.593 7.534 1.00 0.46 H new ATOM 0 HB ILE A 33 -14.489 -9.824 8.791 1.00 0.60 H new ATOM 0 HG12 ILE A 33 -14.759 -6.800 9.104 1.00 0.71 H new ATOM 0 HG13 ILE A 33 -14.839 -7.596 7.545 1.00 0.71 H new ATOM 0 HG21 ILE A 33 -15.130 -8.992 11.033 1.00 0.69 H new ATOM 0 HG22 ILE A 33 -13.478 -9.651 11.042 1.00 0.69 H new ATOM 0 HG23 ILE A 33 -13.732 -7.890 11.024 1.00 0.69 H new ATOM 0 HD11 ILE A 33 -17.113 -7.294 8.493 1.00 1.23 H new ATOM 0 HD12 ILE A 33 -16.720 -9.024 8.355 1.00 1.23 H new ATOM 0 HD13 ILE A 33 -16.638 -8.216 9.939 1.00 1.23 H new ATOM 532 N GLU A 34 -11.375 -7.514 10.288 1.00 0.53 N ATOM 533 CA GLU A 34 -10.747 -6.372 10.937 1.00 0.61 C ATOM 534 C GLU A 34 -9.734 -5.714 10.003 1.00 0.50 C ATOM 535 O GLU A 34 -9.316 -4.579 10.231 1.00 0.57 O ATOM 536 CB GLU A 34 -10.062 -6.831 12.233 1.00 0.77 C ATOM 537 CG GLU A 34 -8.537 -6.806 12.074 1.00 1.00 C ATOM 538 CD GLU A 34 -7.881 -7.405 13.313 1.00 1.14 C ATOM 539 OE1 GLU A 34 -7.937 -8.614 13.463 1.00 1.68 O ATOM 540 OE2 GLU A 34 -7.327 -6.647 14.092 1.00 1.61 O ATOM 0 H GLU A 34 -11.206 -8.407 10.750 1.00 0.53 H new ATOM 0 HA GLU A 34 -11.513 -5.635 11.178 1.00 0.61 H new ATOM 0 HB2 GLU A 34 -10.358 -6.182 13.057 1.00 0.77 H new ATOM 0 HB3 GLU A 34 -10.390 -7.839 12.487 1.00 0.77 H new ATOM 0 HG2 GLU A 34 -8.245 -7.369 11.188 1.00 1.00 H new ATOM 0 HG3 GLU A 34 -8.194 -5.782 11.928 1.00 1.00 H new ATOM 547 N CYS A 35 -9.334 -6.432 8.955 1.00 0.38 N ATOM 548 CA CYS A 35 -8.365 -5.901 8.010 1.00 0.32 C ATOM 549 C CYS A 35 -9.030 -4.930 7.043 1.00 0.30 C ATOM 550 O CYS A 35 -10.060 -5.241 6.446 1.00 0.32 O ATOM 551 CB CYS A 35 -7.724 -7.048 7.224 1.00 0.31 C ATOM 552 SG CYS A 35 -7.229 -8.361 8.366 1.00 0.42 S ATOM 0 H CYS A 35 -9.665 -7.374 8.744 1.00 0.38 H new ATOM 0 HA CYS A 35 -7.597 -5.366 8.569 1.00 0.32 H new ATOM 0 HB2 CYS A 35 -8.429 -7.437 6.489 1.00 0.31 H new ATOM 0 HB3 CYS A 35 -6.857 -6.685 6.673 1.00 0.31 H new ATOM 0 HG CYS A 35 -6.036 -8.777 8.059 1.00 0.42 H new ATOM 558 N ASP A 36 -8.427 -3.756 6.881 1.00 0.30 N ATOM 559 CA ASP A 36 -8.966 -2.757 5.967 1.00 0.33 C ATOM 560 C ASP A 36 -8.947 -3.314 4.558 1.00 0.29 C ATOM 561 O ASP A 36 -9.853 -3.071 3.761 1.00 0.33 O ATOM 562 CB ASP A 36 -8.136 -1.475 6.021 1.00 0.38 C ATOM 563 CG ASP A 36 -8.420 -0.725 7.318 1.00 0.64 C ATOM 564 OD1 ASP A 36 -9.030 -1.311 8.198 1.00 1.40 O ATOM 565 OD2 ASP A 36 -8.021 0.423 7.414 1.00 1.26 O ATOM 0 H ASP A 36 -7.574 -3.476 7.365 1.00 0.30 H new ATOM 0 HA ASP A 36 -9.988 -2.520 6.262 1.00 0.33 H new ATOM 0 HB2 ASP A 36 -7.075 -1.716 5.955 1.00 0.38 H new ATOM 0 HB3 ASP A 36 -8.373 -0.842 5.166 1.00 0.38 H new ATOM 570 N ILE A 37 -7.903 -4.076 4.268 1.00 0.25 N ATOM 571 CA ILE A 37 -7.758 -4.689 2.961 1.00 0.26 C ATOM 572 C ILE A 37 -8.048 -6.182 3.077 1.00 0.23 C ATOM 573 O ILE A 37 -7.142 -7.001 3.230 1.00 0.26 O ATOM 574 CB ILE A 37 -6.338 -4.440 2.441 1.00 0.29 C ATOM 575 CG1 ILE A 37 -5.954 -2.980 2.703 1.00 0.35 C ATOM 576 CG2 ILE A 37 -6.267 -4.712 0.940 1.00 0.34 C ATOM 577 CD1 ILE A 37 -6.513 -2.086 1.590 1.00 0.48 C ATOM 0 H ILE A 37 -7.146 -4.283 4.920 1.00 0.25 H new ATOM 0 HA ILE A 37 -8.464 -4.252 2.254 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.650 -5.109 2.958 1.00 0.29 H new ATOM 0 HG12 ILE A 37 -6.344 -2.660 3.669 1.00 0.35 H new ATOM 0 HG13 ILE A 37 -4.869 -2.883 2.749 1.00 0.35 H new ATOM 0 HG21 ILE A 37 -5.252 -4.531 0.585 1.00 0.34 H new ATOM 0 HG22 ILE A 37 -6.540 -5.749 0.745 1.00 0.34 H new ATOM 0 HG23 ILE A 37 -6.958 -4.050 0.417 1.00 0.34 H new ATOM 0 HD11 ILE A 37 -6.236 -1.049 1.782 1.00 0.48 H new ATOM 0 HD12 ILE A 37 -6.101 -2.399 0.631 1.00 0.48 H new ATOM 0 HD13 ILE A 37 -7.599 -2.173 1.565 1.00 0.48 H new ATOM 589 N ARG A 38 -9.335 -6.510 3.028 1.00 0.23 N ATOM 590 CA ARG A 38 -9.793 -7.888 3.154 1.00 0.22 C ATOM 591 C ARG A 38 -9.343 -8.735 1.968 1.00 0.24 C ATOM 592 O ARG A 38 -9.533 -8.354 0.813 1.00 0.31 O ATOM 593 CB ARG A 38 -11.320 -7.884 3.235 1.00 0.28 C ATOM 594 CG ARG A 38 -11.835 -9.244 3.706 1.00 0.98 C ATOM 595 CD ARG A 38 -13.359 -9.174 3.827 1.00 1.01 C ATOM 596 NE ARG A 38 -13.897 -10.455 4.265 1.00 1.73 N ATOM 597 CZ ARG A 38 -15.207 -10.679 4.265 1.00 2.02 C ATOM 598 NH1 ARG A 38 -16.030 -9.734 3.896 1.00 2.40 N ATOM 599 NH2 ARG A 38 -15.674 -11.837 4.641 1.00 2.20 N ATOM 0 H ARG A 38 -10.086 -5.832 2.900 1.00 0.23 H new ATOM 0 HA ARG A 38 -9.361 -8.324 4.055 1.00 0.22 H new ATOM 0 HB2 ARG A 38 -11.652 -7.105 3.922 1.00 0.28 H new ATOM 0 HB3 ARG A 38 -11.741 -7.648 2.258 1.00 0.28 H new ATOM 0 HG2 ARG A 38 -11.547 -10.023 3.000 1.00 0.98 H new ATOM 0 HG3 ARG A 38 -11.391 -9.505 4.667 1.00 0.98 H new ATOM 0 HD2 ARG A 38 -13.638 -8.395 4.536 1.00 1.01 H new ATOM 0 HD3 ARG A 38 -13.794 -8.900 2.866 1.00 1.01 H new ATOM 0 HE ARG A 38 -13.260 -11.189 4.575 1.00 1.73 H new ATOM 0 HH11 ARG A 38 -15.667 -8.825 3.608 1.00 2.40 H new ATOM 0 HH12 ARG A 38 -17.036 -9.905 3.896 1.00 2.40 H new ATOM 0 HH21 ARG A 38 -15.033 -12.574 4.936 1.00 2.20 H new ATOM 0 HH22 ARG A 38 -16.680 -12.006 4.640 1.00 2.20 H new ATOM 613 N ILE A 39 -8.751 -9.888 2.267 1.00 0.23 N ATOM 614 CA ILE A 39 -8.281 -10.793 1.227 1.00 0.27 C ATOM 615 C ILE A 39 -8.879 -12.186 1.419 1.00 0.31 C ATOM 616 O ILE A 39 -8.784 -12.759 2.504 1.00 0.32 O ATOM 617 CB ILE A 39 -6.756 -10.882 1.260 1.00 0.27 C ATOM 618 CG1 ILE A 39 -6.163 -9.509 0.934 1.00 0.30 C ATOM 619 CG2 ILE A 39 -6.284 -11.904 0.225 1.00 0.36 C ATOM 620 CD1 ILE A 39 -4.655 -9.524 1.191 1.00 0.34 C ATOM 0 H ILE A 39 -8.586 -10.216 3.219 1.00 0.23 H new ATOM 0 HA ILE A 39 -8.600 -10.402 0.261 1.00 0.27 H new ATOM 0 HB ILE A 39 -6.427 -11.194 2.251 1.00 0.27 H new ATOM 0 HG12 ILE A 39 -6.362 -9.254 -0.107 1.00 0.30 H new ATOM 0 HG13 ILE A 39 -6.638 -8.742 1.546 1.00 0.30 H new ATOM 0 HG21 ILE A 39 -5.196 -11.969 0.247 1.00 0.36 H new ATOM 0 HG22 ILE A 39 -6.710 -12.880 0.457 1.00 0.36 H new ATOM 0 HG23 ILE A 39 -6.609 -11.593 -0.768 1.00 0.36 H new ATOM 0 HD11 ILE A 39 -4.236 -8.545 0.958 1.00 0.34 H new ATOM 0 HD12 ILE A 39 -4.467 -9.759 2.239 1.00 0.34 H new ATOM 0 HD13 ILE A 39 -4.186 -10.279 0.560 1.00 0.34 H new ATOM 632 N GLN A 40 -9.494 -12.734 0.372 1.00 0.38 N ATOM 633 CA GLN A 40 -10.092 -14.063 0.479 1.00 0.43 C ATOM 634 C GLN A 40 -9.151 -15.131 -0.070 1.00 0.42 C ATOM 635 O GLN A 40 -9.304 -15.592 -1.201 1.00 0.48 O ATOM 636 CB GLN A 40 -11.412 -14.110 -0.292 1.00 0.54 C ATOM 637 CG GLN A 40 -12.453 -13.242 0.415 1.00 1.31 C ATOM 638 CD GLN A 40 -13.751 -13.232 -0.384 1.00 1.79 C ATOM 639 OE1 GLN A 40 -13.852 -13.904 -1.409 1.00 1.98 O ATOM 640 NE2 GLN A 40 -14.756 -12.510 0.030 1.00 2.71 N ATOM 0 H GLN A 40 -9.590 -12.290 -0.541 1.00 0.38 H new ATOM 0 HA GLN A 40 -10.276 -14.264 1.534 1.00 0.43 H new ATOM 0 HB2 GLN A 40 -11.261 -13.756 -1.312 1.00 0.54 H new ATOM 0 HB3 GLN A 40 -11.768 -15.138 -0.361 1.00 0.54 H new ATOM 0 HG2 GLN A 40 -12.637 -13.625 1.419 1.00 1.31 H new ATOM 0 HG3 GLN A 40 -12.076 -12.225 0.526 1.00 1.31 H new ATOM 0 HE21 GLN A 40 -14.668 -11.954 0.881 1.00 2.71 H new ATOM 0 HE22 GLN A 40 -15.629 -12.502 -0.497 1.00 2.71 H new ATOM 649 N LEU A 41 -8.193 -15.534 0.755 1.00 0.36 N ATOM 650 CA LEU A 41 -7.238 -16.568 0.373 1.00 0.36 C ATOM 651 C LEU A 41 -6.668 -17.231 1.632 1.00 0.34 C ATOM 652 O LEU A 41 -6.005 -16.570 2.431 1.00 0.34 O ATOM 653 CB LEU A 41 -6.106 -15.957 -0.461 1.00 0.35 C ATOM 654 CG LEU A 41 -6.232 -16.395 -1.931 1.00 0.53 C ATOM 655 CD1 LEU A 41 -5.943 -15.211 -2.855 1.00 1.36 C ATOM 656 CD2 LEU A 41 -5.225 -17.512 -2.218 1.00 1.20 C ATOM 0 H LEU A 41 -8.056 -15.160 1.694 1.00 0.36 H new ATOM 0 HA LEU A 41 -7.746 -17.321 -0.229 1.00 0.36 H new ATOM 0 HB2 LEU A 41 -6.141 -14.870 -0.394 1.00 0.35 H new ATOM 0 HB3 LEU A 41 -5.141 -16.270 -0.062 1.00 0.35 H new ATOM 0 HG LEU A 41 -7.245 -16.754 -2.110 1.00 0.53 H new ATOM 0 HD11 LEU A 41 -6.034 -15.529 -3.894 1.00 1.36 H new ATOM 0 HD12 LEU A 41 -6.657 -14.412 -2.656 1.00 1.36 H new ATOM 0 HD13 LEU A 41 -4.932 -14.847 -2.675 1.00 1.36 H new ATOM 0 HD21 LEU A 41 -5.313 -17.823 -3.259 1.00 1.20 H new ATOM 0 HD22 LEU A 41 -4.215 -17.147 -2.033 1.00 1.20 H new ATOM 0 HD23 LEU A 41 -5.429 -18.362 -1.567 1.00 1.20 H new ATOM 668 N PRO A 42 -6.910 -18.505 1.835 1.00 0.38 N ATOM 669 CA PRO A 42 -6.408 -19.239 3.041 1.00 0.40 C ATOM 670 C PRO A 42 -4.908 -19.051 3.281 1.00 0.36 C ATOM 671 O PRO A 42 -4.463 -18.978 4.427 1.00 0.43 O ATOM 672 CB PRO A 42 -6.714 -20.702 2.720 1.00 0.46 C ATOM 673 CG PRO A 42 -7.874 -20.658 1.788 1.00 0.72 C ATOM 674 CD PRO A 42 -7.696 -19.392 0.955 1.00 0.48 C ATOM 0 HA PRO A 42 -6.881 -18.873 3.953 1.00 0.40 H new ATOM 0 HB2 PRO A 42 -5.856 -21.193 2.260 1.00 0.46 H new ATOM 0 HB3 PRO A 42 -6.955 -21.262 3.623 1.00 0.46 H new ATOM 0 HG2 PRO A 42 -7.898 -21.543 1.152 1.00 0.72 H new ATOM 0 HG3 PRO A 42 -8.815 -20.635 2.337 1.00 0.72 H new ATOM 0 HD2 PRO A 42 -7.172 -19.597 0.021 1.00 0.48 H new ATOM 0 HD3 PRO A 42 -8.656 -18.947 0.691 1.00 0.48 H new ATOM 682 N VAL A 43 -4.134 -18.990 2.206 1.00 0.31 N ATOM 683 CA VAL A 43 -2.687 -18.827 2.333 1.00 0.31 C ATOM 684 C VAL A 43 -2.326 -17.493 3.001 1.00 0.27 C ATOM 685 O VAL A 43 -1.406 -17.433 3.816 1.00 0.36 O ATOM 686 CB VAL A 43 -2.031 -18.918 0.950 1.00 0.33 C ATOM 687 CG1 VAL A 43 -2.252 -20.314 0.361 1.00 0.40 C ATOM 688 CG2 VAL A 43 -2.659 -17.881 0.021 1.00 0.33 C ATOM 0 H VAL A 43 -4.475 -19.050 1.247 1.00 0.31 H new ATOM 0 HA VAL A 43 -2.312 -19.629 2.969 1.00 0.31 H new ATOM 0 HB VAL A 43 -0.962 -18.729 1.049 1.00 0.33 H new ATOM 0 HG11 VAL A 43 -1.784 -20.373 -0.622 1.00 0.40 H new ATOM 0 HG12 VAL A 43 -1.809 -21.061 1.019 1.00 0.40 H new ATOM 0 HG13 VAL A 43 -3.321 -20.503 0.265 1.00 0.40 H new ATOM 0 HG21 VAL A 43 -2.194 -17.944 -0.963 1.00 0.33 H new ATOM 0 HG22 VAL A 43 -3.728 -18.074 -0.070 1.00 0.33 H new ATOM 0 HG23 VAL A 43 -2.504 -16.883 0.432 1.00 0.33 H new ATOM 698 N VAL A 44 -3.052 -16.428 2.658 1.00 0.29 N ATOM 699 CA VAL A 44 -2.788 -15.108 3.242 1.00 0.26 C ATOM 700 C VAL A 44 -3.161 -15.104 4.729 1.00 0.29 C ATOM 701 O VAL A 44 -4.153 -15.712 5.128 1.00 0.43 O ATOM 702 CB VAL A 44 -3.590 -14.037 2.494 1.00 0.25 C ATOM 703 CG1 VAL A 44 -3.281 -12.661 3.078 1.00 0.33 C ATOM 704 CG2 VAL A 44 -3.202 -14.046 1.014 1.00 0.28 C ATOM 0 H VAL A 44 -3.820 -16.450 1.987 1.00 0.29 H new ATOM 0 HA VAL A 44 -1.725 -14.885 3.148 1.00 0.26 H new ATOM 0 HB VAL A 44 -4.654 -14.251 2.599 1.00 0.25 H new ATOM 0 HG11 VAL A 44 -3.853 -11.902 2.544 1.00 0.33 H new ATOM 0 HG12 VAL A 44 -3.553 -12.644 4.133 1.00 0.33 H new ATOM 0 HG13 VAL A 44 -2.216 -12.453 2.974 1.00 0.33 H new ATOM 0 HG21 VAL A 44 -3.773 -13.284 0.484 1.00 0.28 H new ATOM 0 HG22 VAL A 44 -2.137 -13.835 0.916 1.00 0.28 H new ATOM 0 HG23 VAL A 44 -3.419 -15.025 0.587 1.00 0.28 H new ATOM 714 N SER A 45 -2.347 -14.433 5.546 1.00 0.24 N ATOM 715 CA SER A 45 -2.588 -14.380 6.997 1.00 0.29 C ATOM 716 C SER A 45 -3.617 -13.310 7.376 1.00 0.30 C ATOM 717 O SER A 45 -3.919 -12.416 6.588 1.00 0.34 O ATOM 718 CB SER A 45 -1.276 -14.093 7.727 1.00 0.30 C ATOM 719 OG SER A 45 -0.523 -15.293 7.834 1.00 1.22 O ATOM 0 H SER A 45 -1.521 -13.921 5.235 1.00 0.24 H new ATOM 0 HA SER A 45 -2.988 -15.349 7.295 1.00 0.29 H new ATOM 0 HB2 SER A 45 -0.704 -13.339 7.187 1.00 0.30 H new ATOM 0 HB3 SER A 45 -1.480 -13.689 8.719 1.00 0.30 H new ATOM 0 HG SER A 45 0.319 -15.110 8.300 1.00 1.22 H new ATOM 725 N LYS A 46 -4.141 -13.411 8.604 1.00 0.38 N ATOM 726 CA LYS A 46 -5.128 -12.447 9.101 1.00 0.43 C ATOM 727 C LYS A 46 -4.510 -11.055 9.164 1.00 0.35 C ATOM 728 O LYS A 46 -5.138 -10.059 8.809 1.00 0.42 O ATOM 729 CB LYS A 46 -5.599 -12.846 10.502 1.00 0.55 C ATOM 730 CG LYS A 46 -6.417 -14.137 10.434 1.00 0.97 C ATOM 731 CD LYS A 46 -6.891 -14.507 11.842 1.00 1.07 C ATOM 732 CE LYS A 46 -7.716 -15.794 11.785 1.00 1.74 C ATOM 733 NZ LYS A 46 -8.183 -16.140 13.158 1.00 2.09 N ATOM 0 H LYS A 46 -3.899 -14.147 9.268 1.00 0.38 H new ATOM 0 HA LYS A 46 -5.979 -12.442 8.420 1.00 0.43 H new ATOM 0 HB2 LYS A 46 -4.739 -12.985 11.157 1.00 0.55 H new ATOM 0 HB3 LYS A 46 -6.202 -12.047 10.933 1.00 0.55 H new ATOM 0 HG2 LYS A 46 -7.273 -14.005 9.772 1.00 0.97 H new ATOM 0 HG3 LYS A 46 -5.813 -14.943 10.017 1.00 0.97 H new ATOM 0 HD2 LYS A 46 -6.034 -14.642 12.501 1.00 1.07 H new ATOM 0 HD3 LYS A 46 -7.490 -13.698 12.259 1.00 1.07 H new ATOM 0 HE2 LYS A 46 -8.570 -15.663 11.120 1.00 1.74 H new ATOM 0 HE3 LYS A 46 -7.116 -16.607 11.377 1.00 1.74 H new ATOM 0 HZ1 LYS A 46 -8.744 -17.015 13.124 1.00 2.09 H new ATOM 0 HZ2 LYS A 46 -7.361 -16.281 13.779 1.00 2.09 H new ATOM 0 HZ3 LYS A 46 -8.770 -15.366 13.530 1.00 2.09 H new ATOM 747 N GLN A 47 -3.261 -11.005 9.608 1.00 0.30 N ATOM 748 CA GLN A 47 -2.529 -9.750 9.697 1.00 0.33 C ATOM 749 C GLN A 47 -1.245 -9.903 8.897 1.00 0.27 C ATOM 750 O GLN A 47 -0.140 -9.761 9.418 1.00 0.35 O ATOM 751 CB GLN A 47 -2.214 -9.416 11.157 1.00 0.43 C ATOM 752 CG GLN A 47 -3.522 -9.165 11.908 1.00 0.57 C ATOM 753 CD GLN A 47 -3.240 -8.833 13.369 1.00 0.84 C ATOM 754 OE1 GLN A 47 -2.161 -9.132 13.879 1.00 1.55 O ATOM 755 NE2 GLN A 47 -4.158 -8.233 14.077 1.00 1.27 N ATOM 0 H GLN A 47 -2.733 -11.823 9.913 1.00 0.30 H new ATOM 0 HA GLN A 47 -3.129 -8.934 9.295 1.00 0.33 H new ATOM 0 HB2 GLN A 47 -1.666 -10.237 11.620 1.00 0.43 H new ATOM 0 HB3 GLN A 47 -1.575 -8.535 11.211 1.00 0.43 H new ATOM 0 HG2 GLN A 47 -4.066 -8.344 11.440 1.00 0.57 H new ATOM 0 HG3 GLN A 47 -4.160 -10.047 11.845 1.00 0.57 H new ATOM 0 HE21 GLN A 47 -5.051 -7.987 13.650 1.00 1.27 H new ATOM 0 HE22 GLN A 47 -3.982 -8.010 15.057 1.00 1.27 H new ATOM 764 N HIS A 48 -1.423 -10.249 7.629 1.00 0.21 N ATOM 765 CA HIS A 48 -0.311 -10.494 6.720 1.00 0.18 C ATOM 766 C HIS A 48 0.577 -9.269 6.552 1.00 0.21 C ATOM 767 O HIS A 48 1.797 -9.356 6.689 1.00 0.27 O ATOM 768 CB HIS A 48 -0.882 -10.871 5.360 1.00 0.19 C ATOM 769 CG HIS A 48 0.170 -11.539 4.526 1.00 0.20 C ATOM 770 ND1 HIS A 48 0.360 -12.908 4.548 1.00 0.24 N ATOM 771 CD2 HIS A 48 1.080 -11.048 3.625 1.00 0.21 C ATOM 772 CE1 HIS A 48 1.342 -13.193 3.678 1.00 0.26 C ATOM 773 NE2 HIS A 48 1.816 -12.101 3.088 1.00 0.24 N ATOM 0 H HIS A 48 -2.342 -10.368 7.202 1.00 0.21 H new ATOM 0 HA HIS A 48 0.301 -11.293 7.139 1.00 0.18 H new ATOM 0 HB2 HIS A 48 -1.734 -11.539 5.487 1.00 0.19 H new ATOM 0 HB3 HIS A 48 -1.249 -9.980 4.851 1.00 0.19 H new ATOM 0 HD2 HIS A 48 1.206 -10.006 3.371 1.00 0.21 H new ATOM 0 HE1 HIS A 48 1.704 -14.191 3.481 1.00 0.26 H new ATOM 0 HE2 HIS A 48 2.559 -12.046 2.392 1.00 0.24 H new ATOM 782 N CYS A 49 -0.032 -8.135 6.241 1.00 0.20 N ATOM 783 CA CYS A 49 0.731 -6.917 6.044 1.00 0.24 C ATOM 784 C CYS A 49 -0.084 -5.700 6.433 1.00 0.16 C ATOM 785 O CYS A 49 -1.309 -5.762 6.525 1.00 0.19 O ATOM 786 CB CYS A 49 1.157 -6.804 4.583 1.00 0.34 C ATOM 787 SG CYS A 49 0.406 -5.329 3.850 1.00 1.20 S ATOM 0 H CYS A 49 -1.040 -8.035 6.121 1.00 0.20 H new ATOM 0 HA CYS A 49 1.615 -6.959 6.680 1.00 0.24 H new ATOM 0 HB2 CYS A 49 2.243 -6.746 4.513 1.00 0.34 H new ATOM 0 HB3 CYS A 49 0.850 -7.694 4.033 1.00 0.34 H new ATOM 0 HG CYS A 49 -0.885 -5.380 3.997 1.00 1.20 H new ATOM 793 N LYS A 50 0.604 -4.598 6.684 1.00 0.17 N ATOM 794 CA LYS A 50 -0.078 -3.381 7.089 1.00 0.25 C ATOM 795 C LYS A 50 0.576 -2.139 6.506 1.00 0.24 C ATOM 796 O LYS A 50 1.788 -1.957 6.604 1.00 0.25 O ATOM 797 CB LYS A 50 -0.076 -3.302 8.619 1.00 0.42 C ATOM 798 CG LYS A 50 -0.325 -1.870 9.093 1.00 0.49 C ATOM 799 CD LYS A 50 -0.418 -1.847 10.620 1.00 0.35 C ATOM 800 CE LYS A 50 -0.674 -0.415 11.091 1.00 0.90 C ATOM 801 NZ LYS A 50 -0.803 -0.398 12.576 1.00 1.39 N ATOM 0 H LYS A 50 1.619 -4.521 6.616 1.00 0.17 H new ATOM 0 HA LYS A 50 -1.099 -3.416 6.708 1.00 0.25 H new ATOM 0 HB2 LYS A 50 -0.845 -3.961 9.022 1.00 0.42 H new ATOM 0 HB3 LYS A 50 0.881 -3.655 9.004 1.00 0.42 H new ATOM 0 HG2 LYS A 50 0.482 -1.219 8.757 1.00 0.49 H new ATOM 0 HG3 LYS A 50 -1.247 -1.486 8.656 1.00 0.49 H new ATOM 0 HD2 LYS A 50 -1.222 -2.502 10.956 1.00 0.35 H new ATOM 0 HD3 LYS A 50 0.506 -2.226 11.057 1.00 0.35 H new ATOM 0 HE2 LYS A 50 0.144 0.234 10.779 1.00 0.90 H new ATOM 0 HE3 LYS A 50 -1.583 -0.026 10.631 1.00 0.90 H new ATOM 0 HZ1 LYS A 50 -0.977 0.575 12.898 1.00 1.39 H new ATOM 0 HZ2 LYS A 50 -1.597 -1.005 12.862 1.00 1.39 H new ATOM 0 HZ3 LYS A 50 0.076 -0.753 13.005 1.00 1.39 H new ATOM 815 N ILE A 51 -0.245 -1.266 5.932 1.00 0.24 N ATOM 816 CA ILE A 51 0.261 -0.021 5.378 1.00 0.23 C ATOM 817 C ILE A 51 -0.112 1.135 6.295 1.00 0.23 C ATOM 818 O ILE A 51 -1.287 1.472 6.436 1.00 0.26 O ATOM 819 CB ILE A 51 -0.309 0.224 3.981 1.00 0.27 C ATOM 820 CG1 ILE A 51 0.267 -0.811 3.012 1.00 0.33 C ATOM 821 CG2 ILE A 51 0.069 1.630 3.514 1.00 0.32 C ATOM 822 CD1 ILE A 51 -0.473 -0.737 1.677 1.00 0.87 C ATOM 0 H ILE A 51 -1.252 -1.397 5.840 1.00 0.24 H new ATOM 0 HA ILE A 51 1.346 -0.092 5.300 1.00 0.23 H new ATOM 0 HB ILE A 51 -1.395 0.134 4.008 1.00 0.27 H new ATOM 0 HG12 ILE A 51 1.331 -0.628 2.860 1.00 0.33 H new ATOM 0 HG13 ILE A 51 0.173 -1.811 3.435 1.00 0.33 H new ATOM 0 HG21 ILE A 51 -0.338 1.804 2.518 1.00 0.32 H new ATOM 0 HG22 ILE A 51 -0.340 2.366 4.207 1.00 0.32 H new ATOM 0 HG23 ILE A 51 1.155 1.724 3.484 1.00 0.32 H new ATOM 0 HD11 ILE A 51 -0.059 -1.476 0.990 1.00 0.87 H new ATOM 0 HD12 ILE A 51 -1.532 -0.942 1.836 1.00 0.87 H new ATOM 0 HD13 ILE A 51 -0.356 0.260 1.251 1.00 0.87 H new ATOM 834 N GLU A 52 0.894 1.742 6.915 1.00 0.23 N ATOM 835 CA GLU A 52 0.649 2.860 7.812 1.00 0.25 C ATOM 836 C GLU A 52 0.817 4.167 7.055 1.00 0.27 C ATOM 837 O GLU A 52 1.906 4.490 6.579 1.00 0.37 O ATOM 838 CB GLU A 52 1.612 2.806 9.000 1.00 0.27 C ATOM 839 CG GLU A 52 1.286 3.937 9.978 1.00 0.95 C ATOM 840 CD GLU A 52 2.205 3.854 11.191 1.00 0.93 C ATOM 841 OE1 GLU A 52 2.835 2.823 11.362 1.00 1.47 O ATOM 842 OE2 GLU A 52 2.267 4.820 11.931 1.00 1.37 O ATOM 0 H GLU A 52 1.875 1.481 6.814 1.00 0.23 H new ATOM 0 HA GLU A 52 -0.371 2.797 8.192 1.00 0.25 H new ATOM 0 HB2 GLU A 52 1.531 1.842 9.503 1.00 0.27 H new ATOM 0 HB3 GLU A 52 2.641 2.898 8.652 1.00 0.27 H new ATOM 0 HG2 GLU A 52 1.406 4.902 9.485 1.00 0.95 H new ATOM 0 HG3 GLU A 52 0.245 3.868 10.294 1.00 0.95 H new ATOM 849 N ILE A 53 -0.277 4.898 6.928 1.00 0.34 N ATOM 850 CA ILE A 53 -0.270 6.154 6.206 1.00 0.39 C ATOM 851 C ILE A 53 0.313 7.285 7.048 1.00 0.46 C ATOM 852 O ILE A 53 -0.048 7.470 8.210 1.00 0.57 O ATOM 853 CB ILE A 53 -1.702 6.470 5.763 1.00 0.53 C ATOM 854 CG1 ILE A 53 -1.743 6.617 4.243 1.00 1.34 C ATOM 855 CG2 ILE A 53 -2.207 7.758 6.419 1.00 1.12 C ATOM 856 CD1 ILE A 53 -1.657 5.233 3.593 1.00 1.25 C ATOM 0 H ILE A 53 -1.184 4.640 7.318 1.00 0.34 H new ATOM 0 HA ILE A 53 0.372 6.061 5.330 1.00 0.39 H new ATOM 0 HB ILE A 53 -2.350 5.650 6.074 1.00 0.53 H new ATOM 0 HG12 ILE A 53 -2.663 7.116 3.940 1.00 1.34 H new ATOM 0 HG13 ILE A 53 -0.916 7.241 3.905 1.00 1.34 H new ATOM 0 HG21 ILE A 53 -3.226 7.960 6.088 1.00 1.12 H new ATOM 0 HG22 ILE A 53 -2.194 7.644 7.503 1.00 1.12 H new ATOM 0 HG23 ILE A 53 -1.562 8.589 6.134 1.00 1.12 H new ATOM 0 HD11 ILE A 53 -1.686 5.338 2.508 1.00 1.25 H new ATOM 0 HD12 ILE A 53 -0.724 4.751 3.886 1.00 1.25 H new ATOM 0 HD13 ILE A 53 -2.499 4.624 3.921 1.00 1.25 H new ATOM 868 N HIS A 54 1.218 8.044 6.435 1.00 0.50 N ATOM 869 CA HIS A 54 1.852 9.169 7.107 1.00 0.64 C ATOM 870 C HIS A 54 1.442 10.476 6.446 1.00 0.69 C ATOM 871 O HIS A 54 0.761 10.481 5.422 1.00 0.71 O ATOM 872 CB HIS A 54 3.376 9.038 7.071 1.00 0.77 C ATOM 873 CG HIS A 54 3.842 8.237 8.253 1.00 0.76 C ATOM 874 ND1 HIS A 54 4.271 8.840 9.425 1.00 1.43 N ATOM 875 CD2 HIS A 54 3.957 6.885 8.462 1.00 0.91 C ATOM 876 CE1 HIS A 54 4.621 7.861 10.280 1.00 1.96 C ATOM 877 NE2 HIS A 54 4.451 6.649 9.743 1.00 1.69 N ATOM 0 H HIS A 54 1.527 7.898 5.474 1.00 0.50 H new ATOM 0 HA HIS A 54 1.523 9.168 8.146 1.00 0.64 H new ATOM 0 HB2 HIS A 54 3.687 8.554 6.145 1.00 0.77 H new ATOM 0 HB3 HIS A 54 3.836 10.026 7.084 1.00 0.77 H new ATOM 0 HD2 HIS A 54 3.703 6.121 7.743 1.00 0.91 H new ATOM 0 HE1 HIS A 54 4.994 8.034 11.279 1.00 1.96 H new ATOM 0 HE2 HIS A 54 4.642 5.746 10.177 1.00 1.69 H new ATOM 886 N GLU A 55 1.859 11.577 7.052 1.00 0.85 N ATOM 887 CA GLU A 55 1.529 12.900 6.541 1.00 0.94 C ATOM 888 C GLU A 55 1.555 12.924 5.012 1.00 0.80 C ATOM 889 O GLU A 55 0.683 13.524 4.387 1.00 0.90 O ATOM 890 CB GLU A 55 2.542 13.909 7.080 1.00 1.21 C ATOM 891 CG GLU A 55 2.488 13.926 8.610 1.00 1.54 C ATOM 892 CD GLU A 55 1.140 14.452 9.088 1.00 1.73 C ATOM 893 OE1 GLU A 55 0.471 15.099 8.304 1.00 2.29 O ATOM 894 OE2 GLU A 55 0.795 14.192 10.229 1.00 2.14 O ATOM 0 H GLU A 55 2.427 11.581 7.899 1.00 0.85 H new ATOM 0 HA GLU A 55 0.522 13.158 6.870 1.00 0.94 H new ATOM 0 HB2 GLU A 55 3.545 13.646 6.745 1.00 1.21 H new ATOM 0 HB3 GLU A 55 2.325 14.902 6.688 1.00 1.21 H new ATOM 0 HG2 GLU A 55 2.651 12.920 8.997 1.00 1.54 H new ATOM 0 HG3 GLU A 55 3.290 14.552 9.002 1.00 1.54 H new ATOM 901 N GLN A 56 2.559 12.282 4.413 1.00 0.78 N ATOM 902 CA GLN A 56 2.670 12.262 2.953 1.00 0.91 C ATOM 903 C GLN A 56 3.252 10.944 2.444 1.00 0.68 C ATOM 904 O GLN A 56 3.660 10.858 1.286 1.00 0.72 O ATOM 905 CB GLN A 56 3.569 13.411 2.479 1.00 1.33 C ATOM 906 CG GLN A 56 2.874 14.750 2.729 1.00 1.89 C ATOM 907 CD GLN A 56 3.789 15.894 2.303 1.00 1.92 C ATOM 908 OE1 GLN A 56 5.011 15.759 2.349 1.00 1.90 O ATOM 909 NE2 GLN A 56 3.265 17.020 1.896 1.00 2.62 N ATOM 0 H GLN A 56 3.296 11.777 4.906 1.00 0.78 H new ATOM 0 HA GLN A 56 1.663 12.375 2.552 1.00 0.91 H new ATOM 0 HB2 GLN A 56 4.522 13.381 3.008 1.00 1.33 H new ATOM 0 HB3 GLN A 56 3.790 13.298 1.418 1.00 1.33 H new ATOM 0 HG2 GLN A 56 1.938 14.794 2.172 1.00 1.89 H new ATOM 0 HG3 GLN A 56 2.622 14.848 3.785 1.00 1.89 H new ATOM 0 HE21 GLN A 56 2.251 17.127 1.860 1.00 2.62 H new ATOM 0 HE22 GLN A 56 3.870 17.792 1.615 1.00 2.62 H new ATOM 918 N GLU A 57 3.320 9.926 3.300 1.00 0.57 N ATOM 919 CA GLU A 57 3.898 8.650 2.873 1.00 0.46 C ATOM 920 C GLU A 57 3.146 7.442 3.429 1.00 0.38 C ATOM 921 O GLU A 57 2.584 7.487 4.523 1.00 0.44 O ATOM 922 CB GLU A 57 5.362 8.569 3.335 1.00 0.66 C ATOM 923 CG GLU A 57 6.209 9.596 2.574 1.00 1.27 C ATOM 924 CD GLU A 57 6.255 9.239 1.093 1.00 1.72 C ATOM 925 OE1 GLU A 57 6.009 8.087 0.771 1.00 2.33 O ATOM 926 OE2 GLU A 57 6.523 10.126 0.298 1.00 2.23 O ATOM 0 H GLU A 57 2.993 9.954 4.266 1.00 0.57 H new ATOM 0 HA GLU A 57 3.824 8.618 1.786 1.00 0.46 H new ATOM 0 HB2 GLU A 57 5.425 8.756 4.407 1.00 0.66 H new ATOM 0 HB3 GLU A 57 5.751 7.565 3.163 1.00 0.66 H new ATOM 0 HG2 GLU A 57 5.789 10.593 2.703 1.00 1.27 H new ATOM 0 HG3 GLU A 57 7.219 9.620 2.982 1.00 1.27 H new ATOM 933 N ALA A 58 3.189 6.345 2.673 1.00 0.36 N ATOM 934 CA ALA A 58 2.563 5.098 3.095 1.00 0.31 C ATOM 935 C ALA A 58 3.667 4.132 3.507 1.00 0.27 C ATOM 936 O ALA A 58 4.640 3.951 2.777 1.00 0.30 O ATOM 937 CB ALA A 58 1.738 4.496 1.958 1.00 0.35 C ATOM 0 H ALA A 58 3.652 6.297 1.765 1.00 0.36 H new ATOM 0 HA ALA A 58 1.890 5.287 3.931 1.00 0.31 H new ATOM 0 HB1 ALA A 58 1.279 3.566 2.294 1.00 0.35 H new ATOM 0 HB2 ALA A 58 0.959 5.199 1.662 1.00 0.35 H new ATOM 0 HB3 ALA A 58 2.386 4.293 1.106 1.00 0.35 H new ATOM 943 N ILE A 59 3.547 3.556 4.695 1.00 0.22 N ATOM 944 CA ILE A 59 4.588 2.664 5.196 1.00 0.20 C ATOM 945 C ILE A 59 4.064 1.249 5.428 1.00 0.20 C ATOM 946 O ILE A 59 3.079 1.052 6.136 1.00 0.22 O ATOM 947 CB ILE A 59 5.116 3.250 6.501 1.00 0.24 C ATOM 948 CG1 ILE A 59 5.543 4.706 6.253 1.00 0.47 C ATOM 949 CG2 ILE A 59 6.305 2.432 7.003 1.00 0.34 C ATOM 950 CD1 ILE A 59 6.675 4.769 5.226 1.00 0.66 C ATOM 0 H ILE A 59 2.753 3.686 5.323 1.00 0.22 H new ATOM 0 HA ILE A 59 5.382 2.587 4.453 1.00 0.20 H new ATOM 0 HB ILE A 59 4.334 3.220 7.260 1.00 0.24 H new ATOM 0 HG12 ILE A 59 4.690 5.285 5.898 1.00 0.47 H new ATOM 0 HG13 ILE A 59 5.869 5.159 7.189 1.00 0.47 H new ATOM 0 HG21 ILE A 59 6.673 2.860 7.935 1.00 0.34 H new ATOM 0 HG22 ILE A 59 5.991 1.402 7.175 1.00 0.34 H new ATOM 0 HG23 ILE A 59 7.099 2.449 6.257 1.00 0.34 H new ATOM 0 HD11 ILE A 59 6.963 5.808 5.065 1.00 0.66 H new ATOM 0 HD12 ILE A 59 7.533 4.208 5.596 1.00 0.66 H new ATOM 0 HD13 ILE A 59 6.337 4.336 4.285 1.00 0.66 H new ATOM 962 N LEU A 60 4.742 0.269 4.829 1.00 0.22 N ATOM 963 CA LEU A 60 4.348 -1.134 4.971 1.00 0.23 C ATOM 964 C LEU A 60 4.812 -1.696 6.310 1.00 0.20 C ATOM 965 O LEU A 60 5.880 -1.339 6.807 1.00 0.22 O ATOM 966 CB LEU A 60 4.951 -1.974 3.849 1.00 0.26 C ATOM 967 CG LEU A 60 4.270 -3.346 3.826 1.00 0.32 C ATOM 968 CD1 LEU A 60 3.075 -3.307 2.877 1.00 0.85 C ATOM 969 CD2 LEU A 60 5.264 -4.403 3.350 1.00 0.86 C ATOM 0 H LEU A 60 5.563 0.419 4.243 1.00 0.22 H new ATOM 0 HA LEU A 60 3.260 -1.178 4.919 1.00 0.23 H new ATOM 0 HB2 LEU A 60 4.817 -1.472 2.891 1.00 0.26 H new ATOM 0 HB3 LEU A 60 6.024 -2.090 4.001 1.00 0.26 H new ATOM 0 HG LEU A 60 3.928 -3.596 4.830 1.00 0.32 H new ATOM 0 HD11 LEU A 60 2.591 -4.284 2.861 1.00 0.85 H new ATOM 0 HD12 LEU A 60 2.364 -2.555 3.218 1.00 0.85 H new ATOM 0 HD13 LEU A 60 3.416 -3.055 1.873 1.00 0.85 H new ATOM 0 HD21 LEU A 60 4.778 -5.379 3.334 1.00 0.86 H new ATOM 0 HD22 LEU A 60 5.608 -4.153 2.347 1.00 0.86 H new ATOM 0 HD23 LEU A 60 6.116 -4.433 4.029 1.00 0.86 H new ATOM 981 N HIS A 61 4.009 -2.594 6.875 1.00 0.23 N ATOM 982 CA HIS A 61 4.340 -3.223 8.143 1.00 0.22 C ATOM 983 C HIS A 61 4.012 -4.714 8.076 1.00 0.20 C ATOM 984 O HIS A 61 2.982 -5.165 8.572 1.00 0.23 O ATOM 985 CB HIS A 61 3.554 -2.545 9.269 1.00 0.30 C ATOM 986 CG HIS A 61 4.311 -1.337 9.750 1.00 0.24 C ATOM 987 ND1 HIS A 61 5.334 -1.425 10.683 1.00 0.40 N ATOM 988 CD2 HIS A 61 4.205 -0.005 9.436 1.00 0.27 C ATOM 989 CE1 HIS A 61 5.798 -0.180 10.896 1.00 0.44 C ATOM 990 NE2 HIS A 61 5.144 0.724 10.161 1.00 0.37 N ATOM 0 H HIS A 61 3.124 -2.900 6.471 1.00 0.23 H new ATOM 0 HA HIS A 61 5.405 -3.111 8.345 1.00 0.22 H new ATOM 0 HB2 HIS A 61 2.567 -2.251 8.912 1.00 0.30 H new ATOM 0 HB3 HIS A 61 3.401 -3.243 10.092 1.00 0.30 H new ATOM 0 HD2 HIS A 61 3.500 0.414 8.733 1.00 0.27 H new ATOM 0 HE1 HIS A 61 6.601 0.059 11.578 1.00 0.44 H new ATOM 0 HE2 HIS A 61 5.299 1.732 10.136 1.00 0.37 H new ATOM 999 N ASN A 62 4.906 -5.460 7.433 1.00 0.18 N ATOM 1000 CA ASN A 62 4.739 -6.902 7.257 1.00 0.18 C ATOM 1001 C ASN A 62 4.932 -7.668 8.562 1.00 0.20 C ATOM 1002 O ASN A 62 5.892 -7.441 9.296 1.00 0.26 O ATOM 1003 CB ASN A 62 5.742 -7.418 6.226 1.00 0.22 C ATOM 1004 CG ASN A 62 5.629 -8.933 6.116 1.00 0.53 C ATOM 1005 OD1 ASN A 62 4.800 -9.456 5.256 1.00 1.15 O flip ATOM 1006 ND2 ASN A 62 6.311 -9.663 6.836 1.00 0.38 N flip ATOM 0 H ASN A 62 5.761 -5.087 7.021 1.00 0.18 H new ATOM 0 HA ASN A 62 3.718 -7.069 6.914 1.00 0.18 H new ATOM 0 HB2 ASN A 62 5.551 -6.958 5.256 1.00 0.22 H new ATOM 0 HB3 ASN A 62 6.755 -7.139 6.518 1.00 0.22 H new ATOM 0 HD21 ASN A 62 6.959 -9.254 7.509 1.00 0.38 H new ATOM 0 HD22 ASN A 62 6.227 -10.677 6.760 1.00 0.38 H new ATOM 1013 N PHE A 63 4.008 -8.586 8.829 1.00 0.19 N ATOM 1014 CA PHE A 63 4.073 -9.405 10.038 1.00 0.23 C ATOM 1015 C PHE A 63 4.435 -10.850 9.694 1.00 0.23 C ATOM 1016 O PHE A 63 5.026 -11.562 10.507 1.00 0.31 O ATOM 1017 CB PHE A 63 2.715 -9.415 10.735 1.00 0.27 C ATOM 1018 CG PHE A 63 2.161 -8.017 10.816 1.00 0.26 C ATOM 1019 CD1 PHE A 63 1.457 -7.485 9.730 1.00 0.31 C ATOM 1020 CD2 PHE A 63 2.338 -7.258 11.979 1.00 0.34 C ATOM 1021 CE1 PHE A 63 0.931 -6.196 9.806 1.00 0.37 C ATOM 1022 CE2 PHE A 63 1.808 -5.965 12.055 1.00 0.39 C ATOM 1023 CZ PHE A 63 1.102 -5.435 10.969 1.00 0.38 C ATOM 0 H PHE A 63 3.208 -8.782 8.228 1.00 0.19 H new ATOM 0 HA PHE A 63 4.835 -8.977 10.689 1.00 0.23 H new ATOM 0 HB2 PHE A 63 2.023 -10.057 10.190 1.00 0.27 H new ATOM 0 HB3 PHE A 63 2.815 -9.833 11.737 1.00 0.27 H new ATOM 0 HD1 PHE A 63 1.321 -8.072 8.834 1.00 0.31 H new ATOM 0 HD2 PHE A 63 2.883 -7.670 12.816 1.00 0.34 H new ATOM 0 HE1 PHE A 63 0.391 -5.784 8.967 1.00 0.37 H new ATOM 0 HE2 PHE A 63 1.944 -5.377 12.951 1.00 0.39 H new ATOM 0 HZ PHE A 63 0.689 -4.439 11.028 1.00 0.38 H new ATOM 1033 N SER A 64 4.045 -11.285 8.497 1.00 0.21 N ATOM 1034 CA SER A 64 4.299 -12.658 8.065 1.00 0.22 C ATOM 1035 C SER A 64 5.792 -12.939 7.923 1.00 0.24 C ATOM 1036 O SER A 64 6.541 -12.122 7.386 1.00 0.34 O ATOM 1037 CB SER A 64 3.601 -12.914 6.730 1.00 0.25 C ATOM 1038 OG SER A 64 3.701 -14.294 6.408 1.00 1.37 O ATOM 0 H SER A 64 3.554 -10.710 7.812 1.00 0.21 H new ATOM 0 HA SER A 64 3.903 -13.327 8.829 1.00 0.22 H new ATOM 0 HB2 SER A 64 2.554 -12.617 6.791 1.00 0.25 H new ATOM 0 HB3 SER A 64 4.058 -12.311 5.945 1.00 0.25 H new ATOM 0 HG SER A 64 3.522 -14.421 5.453 1.00 1.37 H new ATOM 1044 N SER A 65 6.213 -14.106 8.406 1.00 0.25 N ATOM 1045 CA SER A 65 7.616 -14.501 8.327 1.00 0.28 C ATOM 1046 C SER A 65 7.830 -15.542 7.228 1.00 0.29 C ATOM 1047 O SER A 65 8.662 -15.357 6.341 1.00 0.32 O ATOM 1048 CB SER A 65 8.073 -15.075 9.668 1.00 0.33 C ATOM 1049 OG SER A 65 7.240 -16.172 10.019 1.00 1.40 O ATOM 0 H SER A 65 5.605 -14.791 8.854 1.00 0.25 H new ATOM 0 HA SER A 65 8.205 -13.615 8.087 1.00 0.28 H new ATOM 0 HB2 SER A 65 9.112 -15.399 9.603 1.00 0.33 H new ATOM 0 HB3 SER A 65 8.027 -14.307 10.440 1.00 0.33 H new ATOM 0 HG SER A 65 7.532 -16.543 10.878 1.00 1.40 H new ATOM 1055 N THR A 66 7.076 -16.639 7.294 1.00 0.30 N ATOM 1056 CA THR A 66 7.199 -17.702 6.299 1.00 0.33 C ATOM 1057 C THR A 66 6.836 -17.182 4.914 1.00 0.32 C ATOM 1058 O THR A 66 7.558 -17.412 3.944 1.00 0.41 O ATOM 1059 CB THR A 66 6.280 -18.871 6.664 1.00 0.35 C ATOM 1060 OG1 THR A 66 5.148 -18.379 7.368 1.00 1.07 O ATOM 1061 CG2 THR A 66 7.037 -19.871 7.537 1.00 1.24 C ATOM 0 H THR A 66 6.380 -16.814 8.019 1.00 0.30 H new ATOM 0 HA THR A 66 8.234 -18.044 6.288 1.00 0.33 H new ATOM 0 HB THR A 66 5.951 -19.372 5.753 1.00 0.35 H new ATOM 0 HG1 THR A 66 4.445 -18.139 6.729 1.00 1.07 H new ATOM 0 HG21 THR A 66 6.379 -20.701 7.794 1.00 1.24 H new ATOM 0 HG22 THR A 66 7.901 -20.249 6.991 1.00 1.24 H new ATOM 0 HG23 THR A 66 7.372 -19.377 8.449 1.00 1.24 H new ATOM 1069 N ASN A 67 5.720 -16.468 4.835 1.00 0.26 N ATOM 1070 CA ASN A 67 5.270 -15.901 3.571 1.00 0.28 C ATOM 1071 C ASN A 67 5.229 -14.380 3.685 1.00 0.23 C ATOM 1072 O ASN A 67 4.172 -13.793 3.921 1.00 0.23 O ATOM 1073 CB ASN A 67 3.878 -16.430 3.214 1.00 0.35 C ATOM 1074 CG ASN A 67 3.329 -17.288 4.350 1.00 0.50 C ATOM 1075 OD1 ASN A 67 4.035 -18.146 4.879 1.00 1.16 O ATOM 1076 ND2 ASN A 67 2.101 -17.108 4.755 1.00 0.58 N ATOM 0 H ASN A 67 5.112 -16.268 5.629 1.00 0.26 H new ATOM 0 HA ASN A 67 5.966 -16.192 2.784 1.00 0.28 H new ATOM 0 HB2 ASN A 67 3.203 -15.596 3.021 1.00 0.35 H new ATOM 0 HB3 ASN A 67 3.929 -17.018 2.297 1.00 0.35 H new ATOM 0 HD21 ASN A 67 1.725 -17.679 5.512 1.00 0.58 H new ATOM 0 HD22 ASN A 67 1.518 -16.396 4.315 1.00 0.58 H new ATOM 1083 N PRO A 68 6.356 -13.734 3.549 1.00 0.23 N ATOM 1084 CA PRO A 68 6.447 -12.251 3.665 1.00 0.22 C ATOM 1085 C PRO A 68 5.866 -11.527 2.462 1.00 0.20 C ATOM 1086 O PRO A 68 5.917 -12.022 1.337 1.00 0.23 O ATOM 1087 CB PRO A 68 7.949 -12.001 3.773 1.00 0.29 C ATOM 1088 CG PRO A 68 8.562 -13.111 2.992 1.00 0.31 C ATOM 1089 CD PRO A 68 7.676 -14.331 3.254 1.00 0.28 C ATOM 0 HA PRO A 68 5.874 -11.875 4.512 1.00 0.22 H new ATOM 0 HB2 PRO A 68 8.221 -11.028 3.363 1.00 0.29 H new ATOM 0 HB3 PRO A 68 8.281 -12.014 4.811 1.00 0.29 H new ATOM 0 HG2 PRO A 68 8.596 -12.871 1.929 1.00 0.31 H new ATOM 0 HG3 PRO A 68 9.588 -13.295 3.310 1.00 0.31 H new ATOM 0 HD2 PRO A 68 7.634 -14.992 2.388 1.00 0.28 H new ATOM 0 HD3 PRO A 68 8.045 -14.925 4.090 1.00 0.28 H new ATOM 1097 N THR A 69 5.346 -10.333 2.706 1.00 0.20 N ATOM 1098 CA THR A 69 4.796 -9.526 1.636 1.00 0.19 C ATOM 1099 C THR A 69 5.938 -9.134 0.704 1.00 0.18 C ATOM 1100 O THR A 69 7.106 -9.260 1.070 1.00 0.25 O ATOM 1101 CB THR A 69 4.110 -8.294 2.227 1.00 0.22 C ATOM 1102 OG1 THR A 69 3.071 -8.712 3.100 1.00 0.29 O ATOM 1103 CG2 THR A 69 3.521 -7.429 1.111 1.00 0.27 C ATOM 0 H THR A 69 5.295 -9.907 3.631 1.00 0.20 H new ATOM 0 HA THR A 69 4.048 -10.082 1.071 1.00 0.19 H new ATOM 0 HB THR A 69 4.844 -7.706 2.778 1.00 0.22 H new ATOM 0 HG1 THR A 69 3.459 -9.024 3.944 1.00 0.29 H new ATOM 0 HG21 THR A 69 3.036 -6.555 1.546 1.00 0.27 H new ATOM 0 HG22 THR A 69 4.318 -7.106 0.442 1.00 0.27 H new ATOM 0 HG23 THR A 69 2.789 -8.009 0.549 1.00 0.27 H new ATOM 1111 N GLN A 70 5.613 -8.705 -0.506 1.00 0.17 N ATOM 1112 CA GLN A 70 6.652 -8.357 -1.471 1.00 0.19 C ATOM 1113 C GLN A 70 6.416 -6.992 -2.101 1.00 0.21 C ATOM 1114 O GLN A 70 5.276 -6.581 -2.320 1.00 0.27 O ATOM 1115 CB GLN A 70 6.685 -9.410 -2.579 1.00 0.24 C ATOM 1116 CG GLN A 70 7.130 -10.756 -2.011 1.00 0.25 C ATOM 1117 CD GLN A 70 7.016 -11.829 -3.086 1.00 0.31 C ATOM 1118 OE1 GLN A 70 6.092 -11.797 -3.901 1.00 0.81 O ATOM 1119 NE2 GLN A 70 7.905 -12.780 -3.141 1.00 0.67 N ATOM 0 H GLN A 70 4.657 -8.590 -0.842 1.00 0.17 H new ATOM 0 HA GLN A 70 7.600 -8.323 -0.935 1.00 0.19 H new ATOM 0 HB2 GLN A 70 5.697 -9.506 -3.030 1.00 0.24 H new ATOM 0 HB3 GLN A 70 7.367 -9.096 -3.369 1.00 0.24 H new ATOM 0 HG2 GLN A 70 8.159 -10.690 -1.657 1.00 0.25 H new ATOM 0 HG3 GLN A 70 6.514 -11.021 -1.152 1.00 0.25 H new ATOM 0 HE21 GLN A 70 8.669 -12.804 -2.465 1.00 0.67 H new ATOM 0 HE22 GLN A 70 7.837 -13.500 -3.860 1.00 0.67 H new ATOM 1128 N VAL A 71 7.512 -6.308 -2.414 1.00 0.21 N ATOM 1129 CA VAL A 71 7.434 -4.994 -3.052 1.00 0.26 C ATOM 1130 C VAL A 71 8.315 -4.952 -4.293 1.00 0.31 C ATOM 1131 O VAL A 71 9.482 -5.342 -4.253 1.00 0.34 O ATOM 1132 CB VAL A 71 7.861 -3.895 -2.075 1.00 0.31 C ATOM 1133 CG1 VAL A 71 8.089 -2.571 -2.819 1.00 0.91 C ATOM 1134 CG2 VAL A 71 6.755 -3.687 -1.042 1.00 0.85 C ATOM 0 H VAL A 71 8.461 -6.638 -2.238 1.00 0.21 H new ATOM 0 HA VAL A 71 6.399 -4.820 -3.346 1.00 0.26 H new ATOM 0 HB VAL A 71 8.789 -4.200 -1.590 1.00 0.31 H new ATOM 0 HG11 VAL A 71 8.392 -1.802 -2.108 1.00 0.91 H new ATOM 0 HG12 VAL A 71 8.872 -2.703 -3.566 1.00 0.91 H new ATOM 0 HG13 VAL A 71 7.165 -2.267 -3.311 1.00 0.91 H new ATOM 0 HG21 VAL A 71 7.052 -2.906 -0.343 1.00 0.85 H new ATOM 0 HG22 VAL A 71 5.836 -3.391 -1.548 1.00 0.85 H new ATOM 0 HG23 VAL A 71 6.586 -4.616 -0.497 1.00 0.85 H new ATOM 1144 N ASN A 72 7.753 -4.464 -5.390 1.00 0.36 N ATOM 1145 CA ASN A 72 8.496 -4.359 -6.637 1.00 0.44 C ATOM 1146 C ASN A 72 9.252 -5.650 -6.924 1.00 0.44 C ATOM 1147 O ASN A 72 10.303 -5.637 -7.566 1.00 0.50 O ATOM 1148 CB ASN A 72 9.478 -3.189 -6.557 1.00 0.50 C ATOM 1149 CG ASN A 72 8.714 -1.869 -6.601 1.00 0.59 C ATOM 1150 OD1 ASN A 72 7.904 -1.651 -7.502 1.00 1.18 O ATOM 1151 ND2 ASN A 72 8.919 -0.972 -5.672 1.00 0.77 N ATOM 0 H ASN A 72 6.789 -4.136 -5.442 1.00 0.36 H new ATOM 0 HA ASN A 72 7.789 -4.185 -7.448 1.00 0.44 H new ATOM 0 HB2 ASN A 72 10.060 -3.253 -5.637 1.00 0.50 H new ATOM 0 HB3 ASN A 72 10.185 -3.238 -7.385 1.00 0.50 H new ATOM 0 HD21 ASN A 72 8.407 -0.090 -5.693 1.00 0.77 H new ATOM 0 HD22 ASN A 72 9.591 -1.154 -4.926 1.00 0.77 H new ATOM 1158 N GLY A 73 8.707 -6.766 -6.456 1.00 0.41 N ATOM 1159 CA GLY A 73 9.336 -8.064 -6.679 1.00 0.43 C ATOM 1160 C GLY A 73 10.487 -8.300 -5.708 1.00 0.43 C ATOM 1161 O GLY A 73 11.356 -9.138 -5.956 1.00 0.62 O ATOM 0 H GLY A 73 7.838 -6.800 -5.924 1.00 0.41 H new ATOM 0 HA2 GLY A 73 8.594 -8.854 -6.564 1.00 0.43 H new ATOM 0 HA3 GLY A 73 9.705 -8.120 -7.703 1.00 0.43 H new ATOM 1165 N SER A 74 10.488 -7.565 -4.603 1.00 0.36 N ATOM 1166 CA SER A 74 11.536 -7.710 -3.598 1.00 0.37 C ATOM 1167 C SER A 74 10.933 -8.164 -2.275 1.00 0.35 C ATOM 1168 O SER A 74 9.948 -7.596 -1.807 1.00 0.58 O ATOM 1169 CB SER A 74 12.265 -6.381 -3.406 1.00 0.42 C ATOM 1170 OG SER A 74 13.162 -6.490 -2.307 1.00 1.36 O ATOM 0 H SER A 74 9.780 -6.866 -4.380 1.00 0.36 H new ATOM 0 HA SER A 74 12.249 -8.461 -3.940 1.00 0.37 H new ATOM 0 HB2 SER A 74 12.812 -6.119 -4.312 1.00 0.42 H new ATOM 0 HB3 SER A 74 11.546 -5.582 -3.225 1.00 0.42 H new ATOM 0 HG SER A 74 13.632 -5.639 -2.183 1.00 1.36 H new ATOM 1176 N VAL A 75 11.523 -9.196 -1.680 1.00 0.35 N ATOM 1177 CA VAL A 75 11.016 -9.716 -0.414 1.00 0.33 C ATOM 1178 C VAL A 75 11.196 -8.696 0.697 1.00 0.31 C ATOM 1179 O VAL A 75 12.172 -7.944 0.727 1.00 0.37 O ATOM 1180 CB VAL A 75 11.715 -11.022 -0.039 1.00 0.41 C ATOM 1181 CG1 VAL A 75 11.121 -11.575 1.259 1.00 0.79 C ATOM 1182 CG2 VAL A 75 11.520 -12.049 -1.156 1.00 0.52 C ATOM 0 H VAL A 75 12.341 -9.683 -2.047 1.00 0.35 H new ATOM 0 HA VAL A 75 9.952 -9.916 -0.540 1.00 0.33 H new ATOM 0 HB VAL A 75 12.778 -10.828 0.101 1.00 0.41 H new ATOM 0 HG11 VAL A 75 11.623 -12.506 1.521 1.00 0.79 H new ATOM 0 HG12 VAL A 75 11.260 -10.850 2.061 1.00 0.79 H new ATOM 0 HG13 VAL A 75 10.056 -11.764 1.121 1.00 0.79 H new ATOM 0 HG21 VAL A 75 12.019 -12.979 -0.886 1.00 0.52 H new ATOM 0 HG22 VAL A 75 10.455 -12.236 -1.296 1.00 0.52 H new ATOM 0 HG23 VAL A 75 11.946 -11.664 -2.083 1.00 0.52 H new ATOM 1192 N ILE A 76 10.223 -8.669 1.589 1.00 0.28 N ATOM 1193 CA ILE A 76 10.227 -7.730 2.697 1.00 0.28 C ATOM 1194 C ILE A 76 10.528 -8.434 4.024 1.00 0.34 C ATOM 1195 O ILE A 76 9.705 -9.188 4.538 1.00 0.52 O ATOM 1196 CB ILE A 76 8.845 -7.092 2.749 1.00 0.32 C ATOM 1197 CG1 ILE A 76 8.577 -6.383 1.420 1.00 0.45 C ATOM 1198 CG2 ILE A 76 8.774 -6.078 3.884 1.00 0.33 C ATOM 1199 CD1 ILE A 76 7.090 -6.069 1.303 1.00 0.91 C ATOM 0 H ILE A 76 9.415 -9.291 1.568 1.00 0.28 H new ATOM 0 HA ILE A 76 11.005 -6.981 2.547 1.00 0.28 H new ATOM 0 HB ILE A 76 8.097 -7.866 2.921 1.00 0.32 H new ATOM 0 HG12 ILE A 76 9.159 -5.464 1.362 1.00 0.45 H new ATOM 0 HG13 ILE A 76 8.893 -7.013 0.589 1.00 0.45 H new ATOM 0 HG21 ILE A 76 7.781 -5.630 3.910 1.00 0.33 H new ATOM 0 HG22 ILE A 76 8.971 -6.579 4.832 1.00 0.33 H new ATOM 0 HG23 ILE A 76 9.520 -5.299 3.723 1.00 0.33 H new ATOM 0 HD11 ILE A 76 6.898 -5.564 0.356 1.00 0.91 H new ATOM 0 HD12 ILE A 76 6.518 -6.996 1.342 1.00 0.91 H new ATOM 0 HD13 ILE A 76 6.789 -5.422 2.127 1.00 0.91 H new ATOM 1211 N ASP A 77 11.706 -8.173 4.579 1.00 0.38 N ATOM 1212 CA ASP A 77 12.098 -8.774 5.849 1.00 0.50 C ATOM 1213 C ASP A 77 11.392 -8.082 7.014 1.00 0.46 C ATOM 1214 O ASP A 77 10.917 -8.732 7.944 1.00 0.68 O ATOM 1215 CB ASP A 77 13.610 -8.649 6.031 1.00 0.65 C ATOM 1216 CG ASP A 77 14.061 -9.426 7.264 1.00 1.16 C ATOM 1217 OD1 ASP A 77 13.475 -10.458 7.538 1.00 1.90 O ATOM 1218 OD2 ASP A 77 14.984 -8.969 7.920 1.00 1.73 O ATOM 0 H ASP A 77 12.404 -7.551 4.171 1.00 0.38 H new ATOM 0 HA ASP A 77 11.811 -9.825 5.837 1.00 0.50 H new ATOM 0 HB2 ASP A 77 14.122 -9.028 5.147 1.00 0.65 H new ATOM 0 HB3 ASP A 77 13.885 -7.599 6.133 1.00 0.65 H new ATOM 1223 N GLU A 78 11.345 -6.752 6.951 1.00 0.37 N ATOM 1224 CA GLU A 78 10.717 -5.949 7.995 1.00 0.31 C ATOM 1225 C GLU A 78 9.995 -4.762 7.360 1.00 0.27 C ATOM 1226 O GLU A 78 10.075 -4.562 6.148 1.00 0.28 O ATOM 1227 CB GLU A 78 11.771 -5.445 8.987 1.00 0.33 C ATOM 1228 CG GLU A 78 13.114 -6.110 8.698 1.00 1.06 C ATOM 1229 CD GLU A 78 14.163 -5.607 9.683 1.00 1.25 C ATOM 1230 OE1 GLU A 78 14.137 -6.042 10.822 1.00 1.83 O ATOM 1231 OE2 GLU A 78 14.978 -4.791 9.283 1.00 1.64 O ATOM 0 H GLU A 78 11.737 -6.207 6.183 1.00 0.37 H new ATOM 0 HA GLU A 78 9.999 -6.567 8.534 1.00 0.31 H new ATOM 0 HB2 GLU A 78 11.867 -4.362 8.910 1.00 0.33 H new ATOM 0 HB3 GLU A 78 11.458 -5.666 10.007 1.00 0.33 H new ATOM 0 HG2 GLU A 78 13.018 -7.193 8.777 1.00 1.06 H new ATOM 0 HG3 GLU A 78 13.426 -5.891 7.677 1.00 1.06 H new ATOM 1238 N PRO A 79 9.292 -3.979 8.135 1.00 0.26 N ATOM 1239 CA PRO A 79 8.547 -2.799 7.598 1.00 0.24 C ATOM 1240 C PRO A 79 9.461 -1.911 6.760 1.00 0.24 C ATOM 1241 O PRO A 79 10.616 -1.683 7.119 1.00 0.26 O ATOM 1242 CB PRO A 79 8.078 -2.070 8.860 1.00 0.26 C ATOM 1243 CG PRO A 79 8.010 -3.124 9.912 1.00 0.29 C ATOM 1244 CD PRO A 79 9.124 -4.118 9.591 1.00 0.29 C ATOM 0 HA PRO A 79 7.725 -3.079 6.939 1.00 0.24 H new ATOM 0 HB2 PRO A 79 8.773 -1.278 9.139 1.00 0.26 H new ATOM 0 HB3 PRO A 79 7.106 -1.602 8.707 1.00 0.26 H new ATOM 0 HG2 PRO A 79 8.146 -2.693 10.904 1.00 0.29 H new ATOM 0 HG3 PRO A 79 7.037 -3.615 9.909 1.00 0.29 H new ATOM 0 HD2 PRO A 79 10.043 -3.879 10.127 1.00 0.29 H new ATOM 0 HD3 PRO A 79 8.848 -5.135 9.869 1.00 0.29 H new ATOM 1252 N VAL A 80 8.946 -1.435 5.626 1.00 0.23 N ATOM 1253 CA VAL A 80 9.747 -0.599 4.731 1.00 0.25 C ATOM 1254 C VAL A 80 8.976 0.624 4.245 1.00 0.24 C ATOM 1255 O VAL A 80 7.748 0.676 4.317 1.00 0.22 O ATOM 1256 CB VAL A 80 10.195 -1.416 3.516 1.00 0.28 C ATOM 1257 CG1 VAL A 80 11.205 -2.482 3.947 1.00 0.34 C ATOM 1258 CG2 VAL A 80 8.979 -2.098 2.883 1.00 0.31 C ATOM 0 H VAL A 80 7.993 -1.610 5.308 1.00 0.23 H new ATOM 0 HA VAL A 80 10.611 -0.255 5.300 1.00 0.25 H new ATOM 0 HB VAL A 80 10.663 -0.750 2.791 1.00 0.28 H new ATOM 0 HG11 VAL A 80 11.519 -3.059 3.077 1.00 0.34 H new ATOM 0 HG12 VAL A 80 12.074 -2.000 4.395 1.00 0.34 H new ATOM 0 HG13 VAL A 80 10.743 -3.147 4.676 1.00 0.34 H new ATOM 0 HG21 VAL A 80 9.297 -2.680 2.018 1.00 0.31 H new ATOM 0 HG22 VAL A 80 8.512 -2.759 3.613 1.00 0.31 H new ATOM 0 HG23 VAL A 80 8.261 -1.341 2.567 1.00 0.31 H new ATOM 1268 N ARG A 81 9.719 1.600 3.734 1.00 0.27 N ATOM 1269 CA ARG A 81 9.130 2.826 3.212 1.00 0.27 C ATOM 1270 C ARG A 81 8.700 2.632 1.762 1.00 0.24 C ATOM 1271 O ARG A 81 9.369 1.938 0.996 1.00 0.28 O ATOM 1272 CB ARG A 81 10.140 3.966 3.328 1.00 0.33 C ATOM 1273 CG ARG A 81 9.566 5.247 2.728 1.00 0.35 C ATOM 1274 CD ARG A 81 10.470 6.420 3.099 1.00 0.47 C ATOM 1275 NE ARG A 81 10.712 7.276 1.944 1.00 1.36 N ATOM 1276 CZ ARG A 81 11.126 8.529 2.098 1.00 1.79 C ATOM 1277 NH1 ARG A 81 11.247 9.032 3.295 1.00 2.49 N ATOM 1278 NH2 ARG A 81 11.401 9.262 1.054 1.00 1.98 N ATOM 0 H ARG A 81 10.736 1.564 3.671 1.00 0.27 H new ATOM 0 HA ARG A 81 8.245 3.077 3.796 1.00 0.27 H new ATOM 0 HB2 ARG A 81 10.395 4.130 4.375 1.00 0.33 H new ATOM 0 HB3 ARG A 81 11.063 3.697 2.813 1.00 0.33 H new ATOM 0 HG2 ARG A 81 9.494 5.156 1.644 1.00 0.35 H new ATOM 0 HG3 ARG A 81 8.556 5.418 3.101 1.00 0.35 H new ATOM 0 HD2 ARG A 81 10.009 7.001 3.897 1.00 0.47 H new ATOM 0 HD3 ARG A 81 11.418 6.046 3.484 1.00 0.47 H new ATOM 0 HE ARG A 81 10.561 6.908 1.005 1.00 1.36 H new ATOM 0 HH11 ARG A 81 11.024 8.464 4.112 1.00 2.49 H new ATOM 0 HH12 ARG A 81 11.565 9.994 3.414 1.00 2.49 H new ATOM 0 HH21 ARG A 81 11.298 8.873 0.117 1.00 1.98 H new ATOM 0 HH22 ARG A 81 11.719 10.224 1.175 1.00 1.98 H new ATOM 1292 N LEU A 82 7.562 3.219 1.405 1.00 0.30 N ATOM 1293 CA LEU A 82 7.030 3.069 0.056 1.00 0.36 C ATOM 1294 C LEU A 82 7.057 4.375 -0.728 1.00 0.35 C ATOM 1295 O LEU A 82 6.869 5.458 -0.175 1.00 0.43 O ATOM 1296 CB LEU A 82 5.579 2.595 0.132 1.00 0.52 C ATOM 1297 CG LEU A 82 5.498 1.269 0.896 1.00 0.64 C ATOM 1298 CD1 LEU A 82 4.097 1.091 1.493 1.00 1.09 C ATOM 1299 CD2 LEU A 82 5.772 0.120 -0.074 1.00 1.08 C ATOM 0 H LEU A 82 6.995 3.798 2.025 1.00 0.30 H new ATOM 0 HA LEU A 82 7.662 2.344 -0.457 1.00 0.36 H new ATOM 0 HB2 LEU A 82 4.968 3.348 0.629 1.00 0.52 H new ATOM 0 HB3 LEU A 82 5.176 2.470 -0.873 1.00 0.52 H new ATOM 0 HG LEU A 82 6.234 1.272 1.700 1.00 0.64 H new ATOM 0 HD11 LEU A 82 4.049 0.146 2.034 1.00 1.09 H new ATOM 0 HD12 LEU A 82 3.886 1.912 2.178 1.00 1.09 H new ATOM 0 HD13 LEU A 82 3.358 1.088 0.692 1.00 1.09 H new ATOM 0 HD21 LEU A 82 5.717 -0.828 0.460 1.00 1.08 H new ATOM 0 HD22 LEU A 82 5.028 0.131 -0.871 1.00 1.08 H new ATOM 0 HD23 LEU A 82 6.767 0.236 -0.504 1.00 1.08 H new ATOM 1311 N LYS A 83 7.240 4.240 -2.036 1.00 0.38 N ATOM 1312 CA LYS A 83 7.235 5.383 -2.942 1.00 0.40 C ATOM 1313 C LYS A 83 5.950 5.358 -3.755 1.00 0.36 C ATOM 1314 O LYS A 83 5.316 4.311 -3.887 1.00 0.40 O ATOM 1315 CB LYS A 83 8.426 5.344 -3.904 1.00 0.47 C ATOM 1316 CG LYS A 83 9.731 5.611 -3.156 1.00 1.24 C ATOM 1317 CD LYS A 83 10.880 5.632 -4.171 1.00 1.36 C ATOM 1318 CE LYS A 83 12.197 5.949 -3.464 1.00 2.48 C ATOM 1319 NZ LYS A 83 13.294 6.001 -4.474 1.00 2.78 N ATOM 0 H LYS A 83 7.395 3.343 -2.496 1.00 0.38 H new ATOM 0 HA LYS A 83 7.305 6.293 -2.345 1.00 0.40 H new ATOM 0 HB2 LYS A 83 8.474 4.371 -4.393 1.00 0.47 H new ATOM 0 HB3 LYS A 83 8.291 6.089 -4.688 1.00 0.47 H new ATOM 0 HG2 LYS A 83 9.676 6.562 -2.627 1.00 1.24 H new ATOM 0 HG3 LYS A 83 9.902 4.839 -2.406 1.00 1.24 H new ATOM 0 HD2 LYS A 83 10.950 4.667 -4.673 1.00 1.36 H new ATOM 0 HD3 LYS A 83 10.682 6.378 -4.941 1.00 1.36 H new ATOM 0 HE2 LYS A 83 12.123 6.902 -2.940 1.00 2.48 H new ATOM 0 HE3 LYS A 83 12.413 5.189 -2.713 1.00 2.48 H new ATOM 0 HZ1 LYS A 83 14.194 6.217 -3.999 1.00 2.78 H new ATOM 0 HZ2 LYS A 83 13.368 5.081 -4.954 1.00 2.78 H new ATOM 0 HZ3 LYS A 83 13.086 6.741 -5.174 1.00 2.78 H new ATOM 1333 N HIS A 84 5.563 6.501 -4.303 1.00 0.36 N ATOM 1334 CA HIS A 84 4.347 6.560 -5.097 1.00 0.35 C ATOM 1335 C HIS A 84 4.489 5.703 -6.350 1.00 0.33 C ATOM 1336 O HIS A 84 5.471 5.813 -7.084 1.00 0.37 O ATOM 1337 CB HIS A 84 4.048 8.005 -5.495 1.00 0.43 C ATOM 1338 CG HIS A 84 2.991 8.009 -6.560 1.00 0.41 C ATOM 1339 ND1 HIS A 84 1.763 7.394 -6.384 1.00 0.58 N ATOM 1340 CD2 HIS A 84 2.970 8.532 -7.827 1.00 0.66 C ATOM 1341 CE1 HIS A 84 1.060 7.559 -7.518 1.00 0.56 C ATOM 1342 NE2 HIS A 84 1.749 8.248 -8.432 1.00 0.65 N ATOM 0 H HIS A 84 6.064 7.385 -4.214 1.00 0.36 H new ATOM 0 HA HIS A 84 3.523 6.175 -4.496 1.00 0.35 H new ATOM 0 HB2 HIS A 84 3.711 8.572 -4.628 1.00 0.43 H new ATOM 0 HB3 HIS A 84 4.953 8.490 -5.861 1.00 0.43 H new ATOM 0 HD2 HIS A 84 3.779 9.081 -8.286 1.00 0.66 H new ATOM 0 HE1 HIS A 84 0.060 7.181 -7.671 1.00 0.56 H new ATOM 0 HE2 HIS A 84 1.446 8.509 -9.370 1.00 0.65 H new ATOM 1351 N GLY A 85 3.497 4.849 -6.588 1.00 0.34 N ATOM 1352 CA GLY A 85 3.517 3.974 -7.755 1.00 0.39 C ATOM 1353 C GLY A 85 4.111 2.607 -7.417 1.00 0.34 C ATOM 1354 O GLY A 85 4.207 1.735 -8.280 1.00 0.38 O ATOM 0 H GLY A 85 2.675 4.745 -5.993 1.00 0.34 H new ATOM 0 HA2 GLY A 85 2.503 3.848 -8.135 1.00 0.39 H new ATOM 0 HA3 GLY A 85 4.100 4.439 -8.550 1.00 0.39 H new ATOM 1358 N ASP A 86 4.502 2.424 -6.159 1.00 0.30 N ATOM 1359 CA ASP A 86 5.078 1.153 -5.728 1.00 0.27 C ATOM 1360 C ASP A 86 4.027 0.050 -5.760 1.00 0.25 C ATOM 1361 O ASP A 86 2.844 0.300 -5.522 1.00 0.36 O ATOM 1362 CB ASP A 86 5.648 1.274 -4.313 1.00 0.30 C ATOM 1363 CG ASP A 86 6.997 1.985 -4.349 1.00 1.04 C ATOM 1364 OD1 ASP A 86 7.485 2.237 -5.438 1.00 1.63 O ATOM 1365 OD2 ASP A 86 7.520 2.271 -3.287 1.00 1.85 O ATOM 0 H ASP A 86 4.432 3.131 -5.427 1.00 0.30 H new ATOM 0 HA ASP A 86 5.883 0.898 -6.417 1.00 0.27 H new ATOM 0 HB2 ASP A 86 4.954 1.826 -3.679 1.00 0.30 H new ATOM 0 HB3 ASP A 86 5.762 0.283 -3.873 1.00 0.30 H new ATOM 1370 N VAL A 87 4.464 -1.166 -6.063 1.00 0.22 N ATOM 1371 CA VAL A 87 3.550 -2.301 -6.131 1.00 0.23 C ATOM 1372 C VAL A 87 3.828 -3.286 -5.000 1.00 0.21 C ATOM 1373 O VAL A 87 4.968 -3.692 -4.782 1.00 0.22 O ATOM 1374 CB VAL A 87 3.716 -3.017 -7.473 1.00 0.29 C ATOM 1375 CG1 VAL A 87 2.982 -4.357 -7.431 1.00 1.13 C ATOM 1376 CG2 VAL A 87 3.133 -2.150 -8.591 1.00 1.22 C ATOM 0 H VAL A 87 5.438 -1.392 -6.264 1.00 0.22 H new ATOM 0 HA VAL A 87 2.531 -1.928 -6.032 1.00 0.23 H new ATOM 0 HB VAL A 87 4.775 -3.189 -7.663 1.00 0.29 H new ATOM 0 HG11 VAL A 87 3.100 -4.867 -8.387 1.00 1.13 H new ATOM 0 HG12 VAL A 87 3.399 -4.975 -6.636 1.00 1.13 H new ATOM 0 HG13 VAL A 87 1.923 -4.186 -7.240 1.00 1.13 H new ATOM 0 HG21 VAL A 87 3.252 -2.661 -9.547 1.00 1.22 H new ATOM 0 HG22 VAL A 87 2.074 -1.976 -8.402 1.00 1.22 H new ATOM 0 HG23 VAL A 87 3.658 -1.195 -8.622 1.00 1.22 H new ATOM 1386 N ILE A 88 2.771 -3.668 -4.289 1.00 0.23 N ATOM 1387 CA ILE A 88 2.899 -4.613 -3.184 1.00 0.24 C ATOM 1388 C ILE A 88 2.287 -5.945 -3.590 1.00 0.23 C ATOM 1389 O ILE A 88 1.180 -5.989 -4.125 1.00 0.25 O ATOM 1390 CB ILE A 88 2.167 -4.097 -1.953 1.00 0.29 C ATOM 1391 CG1 ILE A 88 2.698 -2.715 -1.571 1.00 0.39 C ATOM 1392 CG2 ILE A 88 2.388 -5.061 -0.786 1.00 0.32 C ATOM 1393 CD1 ILE A 88 1.778 -2.093 -0.519 1.00 0.56 C ATOM 0 H ILE A 88 1.820 -3.339 -4.457 1.00 0.23 H new ATOM 0 HA ILE A 88 3.957 -4.734 -2.949 1.00 0.24 H new ATOM 0 HB ILE A 88 1.103 -4.026 -2.176 1.00 0.29 H new ATOM 0 HG12 ILE A 88 3.712 -2.798 -1.181 1.00 0.39 H new ATOM 0 HG13 ILE A 88 2.747 -2.075 -2.452 1.00 0.39 H new ATOM 0 HG21 ILE A 88 1.864 -4.692 0.095 1.00 0.32 H new ATOM 0 HG22 ILE A 88 2.004 -6.046 -1.050 1.00 0.32 H new ATOM 0 HG23 ILE A 88 3.454 -5.133 -0.571 1.00 0.32 H new ATOM 0 HD11 ILE A 88 2.154 -1.107 -0.244 1.00 0.56 H new ATOM 0 HD12 ILE A 88 0.772 -1.997 -0.927 1.00 0.56 H new ATOM 0 HD13 ILE A 88 1.752 -2.731 0.365 1.00 0.56 H new ATOM 1405 N THR A 89 3.011 -7.022 -3.343 1.00 0.22 N ATOM 1406 CA THR A 89 2.521 -8.348 -3.703 1.00 0.24 C ATOM 1407 C THR A 89 2.611 -9.312 -2.526 1.00 0.23 C ATOM 1408 O THR A 89 3.655 -9.438 -1.885 1.00 0.24 O ATOM 1409 CB THR A 89 3.316 -8.899 -4.894 1.00 0.27 C ATOM 1410 OG1 THR A 89 3.248 -7.975 -5.971 1.00 0.32 O ATOM 1411 CG2 THR A 89 2.720 -10.237 -5.339 1.00 0.40 C ATOM 0 H THR A 89 3.930 -7.010 -2.900 1.00 0.22 H new ATOM 0 HA THR A 89 1.472 -8.253 -3.982 1.00 0.24 H new ATOM 0 HB THR A 89 4.355 -9.046 -4.598 1.00 0.27 H new ATOM 0 HG1 THR A 89 3.756 -8.323 -6.733 1.00 0.32 H new ATOM 0 HG21 THR A 89 3.288 -10.625 -6.185 1.00 0.40 H new ATOM 0 HG22 THR A 89 2.766 -10.948 -4.514 1.00 0.40 H new ATOM 0 HG23 THR A 89 1.681 -10.092 -5.635 1.00 0.40 H new ATOM 1419 N ILE A 90 1.506 -10.003 -2.263 1.00 0.25 N ATOM 1420 CA ILE A 90 1.458 -10.977 -1.181 1.00 0.24 C ATOM 1421 C ILE A 90 1.689 -12.372 -1.778 1.00 0.26 C ATOM 1422 O ILE A 90 2.455 -12.506 -2.731 1.00 0.33 O ATOM 1423 CB ILE A 90 0.110 -10.856 -0.433 1.00 0.23 C ATOM 1424 CG1 ILE A 90 0.017 -9.458 0.184 1.00 0.48 C ATOM 1425 CG2 ILE A 90 0.026 -11.862 0.711 1.00 0.26 C ATOM 1426 CD1 ILE A 90 -1.413 -9.180 0.649 1.00 0.83 C ATOM 0 H ILE A 90 0.634 -9.906 -2.784 1.00 0.25 H new ATOM 0 HA ILE A 90 2.240 -10.793 -0.445 1.00 0.24 H new ATOM 0 HB ILE A 90 -0.694 -11.043 -1.145 1.00 0.23 H new ATOM 0 HG12 ILE A 90 0.703 -9.378 1.027 1.00 0.48 H new ATOM 0 HG13 ILE A 90 0.322 -8.709 -0.547 1.00 0.48 H new ATOM 0 HG21 ILE A 90 -0.932 -11.755 1.220 1.00 0.26 H new ATOM 0 HG22 ILE A 90 0.115 -12.873 0.314 1.00 0.26 H new ATOM 0 HG23 ILE A 90 0.835 -11.678 1.418 1.00 0.26 H new ATOM 0 HD11 ILE A 90 -1.466 -8.183 1.086 1.00 0.83 H new ATOM 0 HD12 ILE A 90 -2.091 -9.240 -0.203 1.00 0.83 H new ATOM 0 HD13 ILE A 90 -1.703 -9.919 1.396 1.00 0.83 H new ATOM 1438 N ILE A 91 1.071 -13.408 -1.229 1.00 0.25 N ATOM 1439 CA ILE A 91 1.288 -14.752 -1.749 1.00 0.31 C ATOM 1440 C ILE A 91 0.771 -14.915 -3.178 1.00 0.34 C ATOM 1441 O ILE A 91 1.453 -15.507 -4.013 1.00 0.42 O ATOM 1442 CB ILE A 91 0.641 -15.781 -0.823 1.00 0.34 C ATOM 1443 CG1 ILE A 91 1.424 -15.800 0.496 1.00 0.41 C ATOM 1444 CG2 ILE A 91 0.687 -17.164 -1.478 1.00 0.40 C ATOM 1445 CD1 ILE A 91 0.692 -16.648 1.537 1.00 0.57 C ATOM 0 H ILE A 91 0.428 -13.348 -0.440 1.00 0.25 H new ATOM 0 HA ILE A 91 2.364 -14.920 -1.782 1.00 0.31 H new ATOM 0 HB ILE A 91 -0.400 -15.519 -0.635 1.00 0.34 H new ATOM 0 HG12 ILE A 91 2.423 -16.202 0.328 1.00 0.41 H new ATOM 0 HG13 ILE A 91 1.548 -14.783 0.868 1.00 0.41 H new ATOM 0 HG21 ILE A 91 0.225 -17.896 -0.815 1.00 0.40 H new ATOM 0 HG22 ILE A 91 0.145 -17.137 -2.423 1.00 0.40 H new ATOM 0 HG23 ILE A 91 1.724 -17.445 -1.662 1.00 0.40 H new ATOM 0 HD11 ILE A 91 1.260 -16.652 2.467 1.00 0.57 H new ATOM 0 HD12 ILE A 91 -0.298 -16.228 1.718 1.00 0.57 H new ATOM 0 HD13 ILE A 91 0.591 -17.669 1.169 1.00 0.57 H new ATOM 1457 N ASP A 92 -0.426 -14.405 -3.466 1.00 0.32 N ATOM 1458 CA ASP A 92 -0.978 -14.541 -4.815 1.00 0.41 C ATOM 1459 C ASP A 92 -1.751 -13.301 -5.265 1.00 0.38 C ATOM 1460 O ASP A 92 -2.421 -13.338 -6.298 1.00 0.46 O ATOM 1461 CB ASP A 92 -1.903 -15.758 -4.878 1.00 0.50 C ATOM 1462 CG ASP A 92 -1.086 -17.043 -4.986 1.00 1.11 C ATOM 1463 OD1 ASP A 92 0.119 -16.948 -5.151 1.00 1.94 O ATOM 1464 OD2 ASP A 92 -1.680 -18.105 -4.908 1.00 1.63 O ATOM 0 H ASP A 92 -1.020 -13.906 -2.803 1.00 0.32 H new ATOM 0 HA ASP A 92 -0.132 -14.666 -5.491 1.00 0.41 H new ATOM 0 HB2 ASP A 92 -2.530 -15.792 -3.987 1.00 0.50 H new ATOM 0 HB3 ASP A 92 -2.571 -15.671 -5.735 1.00 0.50 H new ATOM 1469 N ARG A 93 -1.662 -12.208 -4.513 1.00 0.34 N ATOM 1470 CA ARG A 93 -2.374 -10.990 -4.898 1.00 0.34 C ATOM 1471 C ARG A 93 -1.437 -9.794 -4.898 1.00 0.32 C ATOM 1472 O ARG A 93 -0.388 -9.813 -4.257 1.00 0.36 O ATOM 1473 CB ARG A 93 -3.552 -10.724 -3.963 1.00 0.41 C ATOM 1474 CG ARG A 93 -4.534 -11.889 -4.054 1.00 0.96 C ATOM 1475 CD ARG A 93 -5.810 -11.549 -3.290 1.00 1.03 C ATOM 1476 NE ARG A 93 -6.761 -10.874 -4.168 1.00 1.29 N ATOM 1477 CZ ARG A 93 -8.074 -10.968 -3.965 1.00 1.52 C ATOM 1478 NH1 ARG A 93 -8.530 -11.685 -2.976 1.00 1.83 N ATOM 1479 NH2 ARG A 93 -8.905 -10.349 -4.759 1.00 1.93 N ATOM 0 H ARG A 93 -1.118 -12.138 -3.653 1.00 0.34 H new ATOM 0 HA ARG A 93 -2.757 -11.138 -5.908 1.00 0.34 H new ATOM 0 HB2 ARG A 93 -3.200 -10.608 -2.938 1.00 0.41 H new ATOM 0 HB3 ARG A 93 -4.047 -9.792 -4.237 1.00 0.41 H new ATOM 0 HG2 ARG A 93 -4.769 -12.098 -5.098 1.00 0.96 H new ATOM 0 HG3 ARG A 93 -4.082 -12.791 -3.642 1.00 0.96 H new ATOM 0 HD2 ARG A 93 -6.256 -12.460 -2.890 1.00 1.03 H new ATOM 0 HD3 ARG A 93 -5.573 -10.910 -2.439 1.00 1.03 H new ATOM 0 HE ARG A 93 -6.414 -10.320 -4.951 1.00 1.29 H new ATOM 0 HH11 ARG A 93 -7.881 -12.173 -2.359 1.00 1.83 H new ATOM 0 HH12 ARG A 93 -9.535 -11.758 -2.820 1.00 1.83 H new ATOM 0 HH21 ARG A 93 -8.549 -9.792 -5.536 1.00 1.93 H new ATOM 0 HH22 ARG A 93 -9.910 -10.422 -4.602 1.00 1.93 H new ATOM 1493 N SER A 94 -1.821 -8.759 -5.637 1.00 0.37 N ATOM 1494 CA SER A 94 -1.000 -7.561 -5.726 1.00 0.39 C ATOM 1495 C SER A 94 -1.811 -6.306 -5.438 1.00 0.31 C ATOM 1496 O SER A 94 -2.987 -6.210 -5.793 1.00 0.36 O ATOM 1497 CB SER A 94 -0.383 -7.457 -7.121 1.00 0.46 C ATOM 1498 OG SER A 94 0.497 -8.555 -7.328 1.00 1.31 O ATOM 0 H SER A 94 -2.686 -8.726 -6.177 1.00 0.37 H new ATOM 0 HA SER A 94 -0.214 -7.640 -4.975 1.00 0.39 H new ATOM 0 HB2 SER A 94 -1.167 -7.456 -7.879 1.00 0.46 H new ATOM 0 HB3 SER A 94 0.159 -6.517 -7.222 1.00 0.46 H new ATOM 0 HG SER A 94 1.354 -8.375 -6.888 1.00 1.31 H new ATOM 1504 N PHE A 95 -1.159 -5.342 -4.801 1.00 0.28 N ATOM 1505 CA PHE A 95 -1.795 -4.077 -4.467 1.00 0.26 C ATOM 1506 C PHE A 95 -0.926 -2.923 -4.936 1.00 0.27 C ATOM 1507 O PHE A 95 0.301 -3.022 -4.943 1.00 0.32 O ATOM 1508 CB PHE A 95 -2.011 -3.976 -2.958 1.00 0.33 C ATOM 1509 CG PHE A 95 -3.107 -4.924 -2.537 1.00 0.29 C ATOM 1510 CD1 PHE A 95 -2.839 -6.291 -2.413 1.00 0.32 C ATOM 1511 CD2 PHE A 95 -4.385 -4.430 -2.254 1.00 0.32 C ATOM 1512 CE1 PHE A 95 -3.853 -7.168 -2.005 1.00 0.35 C ATOM 1513 CE2 PHE A 95 -5.399 -5.305 -1.848 1.00 0.32 C ATOM 1514 CZ PHE A 95 -5.133 -6.674 -1.723 1.00 0.32 C ATOM 0 H PHE A 95 -0.186 -5.414 -4.505 1.00 0.28 H new ATOM 0 HA PHE A 95 -2.762 -4.028 -4.968 1.00 0.26 H new ATOM 0 HB2 PHE A 95 -1.087 -4.216 -2.432 1.00 0.33 H new ATOM 0 HB3 PHE A 95 -2.276 -2.954 -2.686 1.00 0.33 H new ATOM 0 HD1 PHE A 95 -1.852 -6.670 -2.631 1.00 0.32 H new ATOM 0 HD2 PHE A 95 -4.589 -3.374 -2.349 1.00 0.32 H new ATOM 0 HE1 PHE A 95 -3.648 -8.224 -1.908 1.00 0.35 H new ATOM 0 HE2 PHE A 95 -6.386 -4.924 -1.631 1.00 0.32 H new ATOM 0 HZ PHE A 95 -5.915 -7.349 -1.409 1.00 0.32 H new ATOM 1524 N ARG A 96 -1.565 -1.834 -5.334 1.00 0.29 N ATOM 1525 CA ARG A 96 -0.834 -0.672 -5.810 1.00 0.33 C ATOM 1526 C ARG A 96 -1.068 0.506 -4.874 1.00 0.29 C ATOM 1527 O ARG A 96 -2.198 0.758 -4.464 1.00 0.36 O ATOM 1528 CB ARG A 96 -1.326 -0.308 -7.208 1.00 0.45 C ATOM 1529 CG ARG A 96 -1.165 -1.517 -8.130 1.00 0.64 C ATOM 1530 CD ARG A 96 -1.734 -1.187 -9.508 1.00 0.57 C ATOM 1531 NE ARG A 96 -0.816 -0.309 -10.226 1.00 0.96 N ATOM 1532 CZ ARG A 96 -1.127 0.197 -11.416 1.00 1.43 C ATOM 1533 NH1 ARG A 96 -2.301 -0.027 -11.938 1.00 1.94 N ATOM 1534 NH2 ARG A 96 -0.257 0.931 -12.057 1.00 2.09 N ATOM 0 H ARG A 96 -2.580 -1.731 -5.337 1.00 0.29 H new ATOM 0 HA ARG A 96 0.231 -0.903 -5.839 1.00 0.33 H new ATOM 0 HB2 ARG A 96 -2.371 -0.002 -7.170 1.00 0.45 H new ATOM 0 HB3 ARG A 96 -0.760 0.538 -7.597 1.00 0.45 H new ATOM 0 HG2 ARG A 96 -0.112 -1.785 -8.215 1.00 0.64 H new ATOM 0 HG3 ARG A 96 -1.681 -2.380 -7.709 1.00 0.64 H new ATOM 0 HD2 ARG A 96 -1.892 -2.104 -10.075 1.00 0.57 H new ATOM 0 HD3 ARG A 96 -2.706 -0.705 -9.404 1.00 0.57 H new ATOM 0 HE ARG A 96 0.084 -0.078 -9.806 1.00 0.96 H new ATOM 0 HH11 ARG A 96 -2.984 -0.592 -11.433 1.00 1.94 H new ATOM 0 HH12 ARG A 96 -2.536 0.363 -12.851 1.00 1.94 H new ATOM 0 HH21 ARG A 96 0.658 1.115 -11.645 1.00 2.09 H new ATOM 0 HH22 ARG A 96 -0.492 1.321 -12.970 1.00 2.09 H new ATOM 1548 N TYR A 97 -0.006 1.230 -4.549 1.00 0.27 N ATOM 1549 CA TYR A 97 -0.126 2.385 -3.667 1.00 0.27 C ATOM 1550 C TYR A 97 0.106 3.659 -4.465 1.00 0.27 C ATOM 1551 O TYR A 97 1.233 3.961 -4.860 1.00 0.28 O ATOM 1552 CB TYR A 97 0.885 2.254 -2.518 1.00 0.32 C ATOM 1553 CG TYR A 97 1.229 3.609 -1.937 1.00 0.31 C ATOM 1554 CD1 TYR A 97 0.246 4.595 -1.792 1.00 0.35 C ATOM 1555 CD2 TYR A 97 2.545 3.872 -1.540 1.00 0.34 C ATOM 1556 CE1 TYR A 97 0.584 5.843 -1.249 1.00 0.41 C ATOM 1557 CE2 TYR A 97 2.883 5.113 -1.001 1.00 0.37 C ATOM 1558 CZ TYR A 97 1.903 6.102 -0.855 1.00 0.39 C ATOM 1559 OH TYR A 97 2.235 7.329 -0.319 1.00 0.48 O ATOM 0 H TYR A 97 0.941 1.042 -4.879 1.00 0.27 H new ATOM 0 HA TYR A 97 -1.128 2.430 -3.239 1.00 0.27 H new ATOM 0 HB2 TYR A 97 0.472 1.615 -1.738 1.00 0.32 H new ATOM 0 HB3 TYR A 97 1.792 1.770 -2.881 1.00 0.32 H new ATOM 0 HD1 TYR A 97 -0.770 4.395 -2.098 1.00 0.35 H new ATOM 0 HD2 TYR A 97 3.302 3.110 -1.652 1.00 0.34 H new ATOM 0 HE1 TYR A 97 -0.173 6.605 -1.135 1.00 0.41 H new ATOM 0 HE2 TYR A 97 3.900 5.311 -0.696 1.00 0.37 H new ATOM 0 HH TYR A 97 3.190 7.342 -0.098 1.00 0.48 H new ATOM 1569 N GLU A 98 -0.979 4.391 -4.723 1.00 0.33 N ATOM 1570 CA GLU A 98 -0.882 5.620 -5.507 1.00 0.38 C ATOM 1571 C GLU A 98 -1.286 6.852 -4.711 1.00 0.37 C ATOM 1572 O GLU A 98 -2.400 6.940 -4.192 1.00 0.43 O ATOM 1573 CB GLU A 98 -1.757 5.513 -6.758 1.00 0.53 C ATOM 1574 CG GLU A 98 -1.087 4.577 -7.767 1.00 1.21 C ATOM 1575 CD GLU A 98 -1.985 4.387 -8.983 1.00 1.42 C ATOM 1576 OE1 GLU A 98 -3.053 4.976 -9.004 1.00 1.78 O ATOM 1577 OE2 GLU A 98 -1.593 3.656 -9.878 1.00 1.91 O ATOM 0 H GLU A 98 -1.920 4.158 -4.406 1.00 0.33 H new ATOM 0 HA GLU A 98 0.165 5.737 -5.788 1.00 0.38 H new ATOM 0 HB2 GLU A 98 -2.744 5.134 -6.494 1.00 0.53 H new ATOM 0 HB3 GLU A 98 -1.902 6.499 -7.200 1.00 0.53 H new ATOM 0 HG2 GLU A 98 -0.127 4.990 -8.076 1.00 1.21 H new ATOM 0 HG3 GLU A 98 -0.884 3.613 -7.301 1.00 1.21 H new ATOM 1584 N ASN A 99 -0.370 7.813 -4.648 1.00 0.41 N ATOM 1585 CA ASN A 99 -0.620 9.064 -3.950 1.00 0.53 C ATOM 1586 C ASN A 99 -0.733 10.199 -4.964 1.00 0.66 C ATOM 1587 O ASN A 99 0.274 10.676 -5.485 1.00 0.89 O ATOM 1588 CB ASN A 99 0.525 9.355 -2.975 1.00 0.64 C ATOM 1589 CG ASN A 99 0.235 10.626 -2.185 1.00 1.02 C ATOM 1590 OD1 ASN A 99 -0.667 11.386 -2.537 1.00 1.59 O ATOM 1591 ND2 ASN A 99 0.952 10.905 -1.133 1.00 1.28 N ATOM 0 H ASN A 99 0.554 7.747 -5.074 1.00 0.41 H new ATOM 0 HA ASN A 99 -1.552 8.983 -3.390 1.00 0.53 H new ATOM 0 HB2 ASN A 99 0.653 8.515 -2.292 1.00 0.64 H new ATOM 0 HB3 ASN A 99 1.460 9.465 -3.524 1.00 0.64 H new ATOM 0 HD21 ASN A 99 0.766 11.754 -0.600 1.00 1.28 H new ATOM 0 HD22 ASN A 99 1.699 10.274 -0.843 1.00 1.28 H new ATOM 1598 N GLU A 100 -1.958 10.620 -5.253 1.00 0.76 N ATOM 1599 CA GLU A 100 -2.172 11.692 -6.221 1.00 0.93 C ATOM 1600 C GLU A 100 -2.009 13.061 -5.572 1.00 0.95 C ATOM 1601 O GLU A 100 -2.325 13.248 -4.397 1.00 1.18 O ATOM 1602 CB GLU A 100 -3.568 11.581 -6.836 1.00 1.28 C ATOM 1603 CG GLU A 100 -3.444 11.240 -8.323 1.00 1.93 C ATOM 1604 CD GLU A 100 -4.826 11.184 -8.964 1.00 2.13 C ATOM 1605 OE1 GLU A 100 -5.573 12.134 -8.799 1.00 2.43 O ATOM 1606 OE2 GLU A 100 -5.118 10.188 -9.607 1.00 2.71 O ATOM 0 H GLU A 100 -2.810 10.242 -4.838 1.00 0.76 H new ATOM 0 HA GLU A 100 -1.421 11.588 -7.004 1.00 0.93 H new ATOM 0 HB2 GLU A 100 -4.143 10.811 -6.322 1.00 1.28 H new ATOM 0 HB3 GLU A 100 -4.108 12.519 -6.711 1.00 1.28 H new ATOM 0 HG2 GLU A 100 -2.831 11.988 -8.826 1.00 1.93 H new ATOM 0 HG3 GLU A 100 -2.939 10.281 -8.444 1.00 1.93 H new TER 1613 GLU A 100