USER MOD reduce.3.24.130724 H: found=0, std=0, add=1514, rem=0, adj=77 USER MOD reduce.3.24.130724 removed 1502 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: B 80 CYS SG : rot 49:sc= 0.777 USER MOD Set 1.2: B 84 ASN :FLIP amide:sc= -0.142 F(o=-0.33,f=0.63) USER MOD Set 2.1: B 58 SER OG : rot -63:sc= 0.949 USER MOD Set 2.2: B 61 LYS NZ :NH3+ 141:sc= 1.1 (180deg=0) USER MOD Set 3.1: B 32 LYS NZ :NH3+ -141:sc= 1.62 (180deg=1.1) USER MOD Set 3.2: B 63 SER OG : rot 63:sc= 1.6 USER MOD Set 4.1: B 25 SER OG : rot -174:sc= 1.5 USER MOD Set 4.2: B 28 THR OG1 : rot 166:sc= 2.18 USER MOD Set 5.1: B 18 LYS NZ :NH3+ -118:sc= -0.543 (180deg=-2.11!) USER MOD Set 5.2: B 19 TYR OH : rot -130:sc= 0 USER MOD Set 6.1: B 15 THR OG1 : rot -85:sc= 1.22 USER MOD Set 6.2: B 72 TYR OH : rot 168:sc= 0.884 USER MOD Set 7.1: B 1 MET N :NH3+ -155:sc= 0.758 (180deg=-0.386!) USER MOD Set 7.2: B 10 THR OG1 : rot 72:sc= 1.25 USER MOD Set 8.1: A 73 SER OG : rot 161:sc= 0.774 USER MOD Set 8.2: A 77 THR OG1 : rot 69:sc= 1.35 USER MOD Set 8.3: B 73 SER OG : rot 148:sc= 0.278 USER MOD Set 8.4: B 77 THR OG1 : rot 87:sc= 1.93 USER MOD Set 9.1: A 62 ASN : amide:sc= 0.744 K(o=1.4,f=0) USER MOD Set 9.2: A 65 GLN : amide:sc= 0.67 K(o=1.4,f=-0.72) USER MOD Set10.1: A 47 MET CE :methyl -115:sc= -1.48 (180deg=-4.15!) USER MOD Set10.2: A 83 TYR OH : rot -148:sc= -0.0347 USER MOD Set11.1: A 15 THR OG1 : rot -86:sc= 1.13 USER MOD Set11.2: A 72 TYR OH : rot 171:sc= 0.106 USER MOD Set12.1: A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set12.2: B 12 MET CE :methyl 151:sc= 0 (180deg=-0.927) USER MOD Set13.1: A 7 LYS NZ :NH3+ 150:sc= 1.57 (180deg=1.15) USER MOD Set13.2: A 10 THR OG1 : rot -51:sc= 1.08 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0.749 (180deg=0.749) USER MOD Single : A 3 THR OG1 : rot 138:sc= 1.25 USER MOD Single : A 11 THR OG1 : rot 86:sc= 1.25 USER MOD Single : A 14 THR OG1 : rot 87:sc= 1.27 USER MOD Single : A 17 HIS : no HE2:sc= 0.662 K(o=0.66,f=-2.4!) USER MOD Single : A 18 LYS NZ :NH3+ -154:sc= 0.999 (180deg=-0.415!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -129:sc= 1.15 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 165:sc= 1.55 (180deg=1.46) USER MOD Single : A 28 THR OG1 : rot 164:sc= 0.723 USER MOD Single : A 30 SER OG : rot 180:sc= -0.143 USER MOD Single : A 32 LYS NZ :NH3+ -156:sc= 1.24 (180deg=1.06) USER MOD Single : A 35 LYS NZ :NH3+ -138:sc= 0.661 (180deg=-0.0116!) USER MOD Single : A 39 LYS NZ :NH3+ 163:sc= 1.3 (180deg=0.0971) USER MOD Single : A 40 LYS NZ :NH3+ -155:sc= 1.27 (180deg=1.15) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -146:sc= 1.03 (180deg=0.0383!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0184 USER MOD Single : A 51 SER OG : rot -23:sc= 1.26 USER MOD Single : A 56 MET CE :methyl -166:sc= -0.792 (180deg=-1.37) USER MOD Single : A 57 LYS NZ :NH3+ -139:sc= 1.23 (180deg=1.17) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0485 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -43:sc= -0.759 USER MOD Single : A 70 LYS NZ :NH3+ 154:sc= 0.197 (180deg=-0.853) USER MOD Single : A 78 MET CE :methyl 169:sc=-0.000628 (180deg=-0.482) USER MOD Single : A 80 CYS SG : rot -28:sc= 0.133 USER MOD Single : A 81 MET CE :methyl 160:sc= -0.179 (180deg=-0.668) USER MOD Single : A 84 ASN : amide:sc= 0.859 K(o=0.86,f=-0.71) USER MOD Single : A 91 ASN : amide:sc= -0.263 X(o=-0.26,f=0) USER MOD Single : A 92 LYS NZ :NH3+ -150:sc= 1.25 (180deg=-0.0924!) USER MOD Single : B 1 MET CE :methyl 152:sc=-0.00625 (180deg=-0.795) USER MOD Single : B 3 THR OG1 : rot 119:sc= 1.25 USER MOD Single : B 7 LYS NZ :NH3+ -144:sc= 1.99 (180deg=1.44) USER MOD Single : B 11 THR OG1 : rot 78:sc= 1.18 USER MOD Single : B 14 THR OG1 : rot 78:sc= 0.249 USER MOD Single : B 17 HIS : no HE2:sc= 0.355 K(o=0.35,f=-2!) USER MOD Single : B 20 SER OG : rot -83:sc= 0.509 USER MOD Single : B 26 LYS NZ :NH3+ -155:sc= 0.619 (180deg=-0.656!) USER MOD Single : B 30 SER OG : rot -83:sc= 1.26 USER MOD Single : B 35 LYS NZ :NH3+ -154:sc= 0.784 (180deg=0.571) USER MOD Single : B 39 LYS NZ :NH3+ 178:sc= 2.46 (180deg=2.44) USER MOD Single : B 40 LYS NZ :NH3+ -115:sc= 0.0361 (180deg=-1.79!) USER MOD Single : B 43 CYS SG : rot 180:sc= 0 USER MOD Single : B 47 MET CE :methyl -132:sc= -0.0383 (180deg=-1.17) USER MOD Single : B 48 LYS NZ :NH3+ 168:sc= 0.325 (180deg=0.144) USER MOD Single : B 50 SER OG : rot 180:sc= 0 USER MOD Single : B 51 SER OG : rot -38:sc= 1.03 USER MOD Single : B 56 MET CE :methyl -134:sc= -0.688 (180deg=-5.21!) USER MOD Single : B 57 LYS NZ :NH3+ 162:sc= 1.16 (180deg=0.739) USER MOD Single : B 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 65 GLN : amide:sc=-0.00412 X(o=-0.0041,f=0) USER MOD Single : B 70 LYS NZ :NH3+ -140:sc= 1.17 (180deg=0.594) USER MOD Single : B 78 MET CE :methyl 159:sc= -0.128 (180deg=-0.669) USER MOD Single : B 81 MET CE :methyl 144:sc= 0 (180deg=-0.263) USER MOD Single : B 83 TYR OH : rot 180:sc= 0 USER MOD Single : B 91 ASN : amide:sc= 0.336 K(o=0.34,f=-0.38) USER MOD Single : B 92 LYS NZ :NH3+ 176:sc= 1.18 (180deg=1.04) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.265 3.630 24.080 1.00 5.97 N ATOM 2 CA MET A 1 8.229 2.455 23.179 1.00 4.78 C ATOM 3 C MET A 1 9.557 2.462 22.438 1.00 2.81 C ATOM 4 O MET A 1 10.572 2.534 23.118 1.00 3.48 O ATOM 5 CB MET A 1 6.985 2.466 22.260 1.00 5.90 C ATOM 6 CG MET A 1 5.673 2.515 23.055 1.00 7.75 C ATOM 7 SD MET A 1 5.618 1.351 24.445 1.00 9.08 S ATOM 8 CE MET A 1 3.825 1.204 24.676 1.00 11.01 C ATOM 0 H1 MET A 1 7.377 3.681 24.619 1.00 5.97 H new ATOM 0 H2 MET A 1 9.065 3.538 24.738 1.00 5.97 H new ATOM 0 H3 MET A 1 8.378 4.497 23.516 1.00 5.97 H new ATOM 0 HA MET A 1 8.121 1.520 23.729 1.00 4.78 H new ATOM 0 HB2 MET A 1 7.036 3.327 21.594 1.00 5.90 H new ATOM 0 HB3 MET A 1 6.993 1.576 21.631 1.00 5.90 H new ATOM 0 HG2 MET A 1 5.526 3.526 23.434 1.00 7.75 H new ATOM 0 HG3 MET A 1 4.843 2.303 22.382 1.00 7.75 H new ATOM 0 HE1 MET A 1 3.619 0.519 25.499 1.00 11.01 H new ATOM 0 HE2 MET A 1 3.406 2.184 24.906 1.00 11.01 H new ATOM 0 HE3 MET A 1 3.371 0.820 23.763 1.00 11.01 H new ATOM 17 N GLU A 2 9.571 2.582 21.110 1.00 1.90 N ATOM 18 CA GLU A 2 10.326 3.684 20.499 1.00 2.01 C ATOM 19 C GLU A 2 9.435 4.948 20.691 1.00 1.62 C ATOM 20 O GLU A 2 8.899 5.133 21.797 1.00 1.95 O ATOM 21 CB GLU A 2 10.699 3.261 19.057 1.00 3.81 C ATOM 22 CG GLU A 2 11.968 3.905 18.461 1.00 5.32 C ATOM 23 CD GLU A 2 11.733 5.269 17.823 1.00 6.17 C ATOM 24 OE1 GLU A 2 10.619 5.475 17.305 1.00 6.66 O ATOM 25 OE2 GLU A 2 12.621 6.138 17.909 1.00 6.94 O ATOM 0 H GLU A 2 9.092 1.961 20.458 1.00 1.90 H new ATOM 0 HA GLU A 2 11.290 3.926 20.946 1.00 2.01 H new ATOM 0 HB2 GLU A 2 10.825 2.178 19.040 1.00 3.81 H new ATOM 0 HB3 GLU A 2 9.858 3.494 18.404 1.00 3.81 H new ATOM 0 HG2 GLU A 2 12.714 4.008 19.249 1.00 5.32 H new ATOM 0 HG3 GLU A 2 12.386 3.233 17.712 1.00 5.32 H new ATOM 32 N THR A 3 9.160 5.753 19.660 1.00 1.27 N ATOM 33 CA THR A 3 8.138 6.818 19.670 1.00 0.99 C ATOM 34 C THR A 3 6.834 6.288 19.017 1.00 1.00 C ATOM 35 O THR A 3 6.708 5.058 18.903 1.00 1.22 O ATOM 36 CB THR A 3 8.725 8.050 18.970 1.00 0.98 C ATOM 37 OG1 THR A 3 8.693 7.764 17.601 1.00 1.16 O ATOM 38 CG2 THR A 3 10.140 8.431 19.405 1.00 1.31 C ATOM 0 H THR A 3 9.652 5.684 18.769 1.00 1.27 H new ATOM 0 HA THR A 3 7.869 7.116 20.683 1.00 0.99 H new ATOM 0 HB THR A 3 8.128 8.920 19.243 1.00 0.98 H new ATOM 0 HG1 THR A 3 8.400 8.558 17.108 1.00 1.16 H new ATOM 0 HG21 THR A 3 10.465 9.313 18.853 1.00 1.31 H new ATOM 0 HG22 THR A 3 10.146 8.648 20.473 1.00 1.31 H new ATOM 0 HG23 THR A 3 10.819 7.604 19.199 1.00 1.31 H new ATOM 46 N PRO A 4 5.836 7.115 18.611 1.00 1.01 N ATOM 47 CA PRO A 4 4.657 6.610 17.913 1.00 1.14 C ATOM 48 C PRO A 4 4.886 6.464 16.401 1.00 1.09 C ATOM 49 O PRO A 4 4.275 5.582 15.805 1.00 1.10 O ATOM 50 CB PRO A 4 3.543 7.611 18.222 1.00 1.29 C ATOM 51 CG PRO A 4 4.282 8.941 18.321 1.00 1.20 C ATOM 52 CD PRO A 4 5.671 8.554 18.833 1.00 1.10 C ATOM 0 HA PRO A 4 4.404 5.605 18.251 1.00 1.14 H new ATOM 0 HB2 PRO A 4 2.788 7.628 17.436 1.00 1.29 H new ATOM 0 HB3 PRO A 4 3.029 7.366 19.152 1.00 1.29 H new ATOM 0 HG2 PRO A 4 4.338 9.440 17.353 1.00 1.20 H new ATOM 0 HG3 PRO A 4 3.781 9.626 19.005 1.00 1.20 H new ATOM 0 HD2 PRO A 4 6.444 9.114 18.307 1.00 1.10 H new ATOM 0 HD3 PRO A 4 5.770 8.793 19.892 1.00 1.10 H new ATOM 60 N LEU A 5 5.738 7.289 15.766 1.00 1.07 N ATOM 61 CA LEU A 5 5.923 7.289 14.310 1.00 1.00 C ATOM 62 C LEU A 5 6.556 5.993 13.781 1.00 0.89 C ATOM 63 O LEU A 5 6.067 5.453 12.789 1.00 0.86 O ATOM 64 CB LEU A 5 6.709 8.551 13.907 1.00 1.15 C ATOM 65 CG LEU A 5 6.942 8.717 12.389 1.00 1.33 C ATOM 66 CD1 LEU A 5 5.639 8.665 11.572 1.00 1.50 C ATOM 67 CD2 LEU A 5 7.646 10.061 12.148 1.00 2.28 C ATOM 0 H LEU A 5 6.317 7.974 16.252 1.00 1.07 H new ATOM 0 HA LEU A 5 4.943 7.319 13.835 1.00 1.00 H new ATOM 0 HB2 LEU A 5 6.175 9.427 14.275 1.00 1.15 H new ATOM 0 HB3 LEU A 5 7.677 8.534 14.408 1.00 1.15 H new ATOM 0 HG LEU A 5 7.556 7.882 12.053 1.00 1.33 H new ATOM 0 HD11 LEU A 5 5.868 8.787 10.513 1.00 1.50 H new ATOM 0 HD12 LEU A 5 5.150 7.704 11.729 1.00 1.50 H new ATOM 0 HD13 LEU A 5 4.975 9.467 11.895 1.00 1.50 H new ATOM 0 HD21 LEU A 5 7.819 10.195 11.080 1.00 2.28 H new ATOM 0 HD22 LEU A 5 7.019 10.872 12.519 1.00 2.28 H new ATOM 0 HD23 LEU A 5 8.601 10.071 12.674 1.00 2.28 H new ATOM 79 N GLU A 6 7.547 5.428 14.476 1.00 1.00 N ATOM 80 CA GLU A 6 8.046 4.060 14.233 1.00 1.08 C ATOM 81 C GLU A 6 6.892 3.046 14.238 1.00 1.01 C ATOM 82 O GLU A 6 6.862 2.150 13.406 1.00 1.09 O ATOM 83 CB GLU A 6 9.120 3.752 15.293 1.00 1.30 C ATOM 84 CG GLU A 6 9.719 2.351 15.548 1.00 1.72 C ATOM 85 CD GLU A 6 9.413 1.206 14.581 1.00 3.04 C ATOM 86 OE1 GLU A 6 9.704 1.301 13.374 1.00 4.19 O ATOM 87 OE2 GLU A 6 8.893 0.182 15.088 1.00 3.85 O ATOM 0 H GLU A 6 8.035 5.908 15.233 1.00 1.00 H new ATOM 0 HA GLU A 6 8.499 3.983 13.244 1.00 1.08 H new ATOM 0 HB2 GLU A 6 9.963 4.405 15.067 1.00 1.30 H new ATOM 0 HB3 GLU A 6 8.707 4.082 16.246 1.00 1.30 H new ATOM 0 HG2 GLU A 6 10.803 2.463 15.587 1.00 1.72 H new ATOM 0 HG3 GLU A 6 9.395 2.035 16.540 1.00 1.72 H new ATOM 94 N LYS A 7 5.855 3.206 15.066 1.00 0.95 N ATOM 95 CA LYS A 7 4.757 2.226 15.074 1.00 0.99 C ATOM 96 C LYS A 7 3.933 2.219 13.767 1.00 0.89 C ATOM 97 O LYS A 7 3.285 1.214 13.444 1.00 0.95 O ATOM 98 CB LYS A 7 3.933 2.315 16.365 1.00 1.17 C ATOM 99 CG LYS A 7 4.734 2.410 17.689 1.00 1.64 C ATOM 100 CD LYS A 7 6.085 1.665 17.808 1.00 2.67 C ATOM 101 CE LYS A 7 6.004 0.162 17.511 1.00 3.60 C ATOM 102 NZ LYS A 7 7.342 -0.416 17.212 1.00 4.76 N ATOM 0 H LYS A 7 5.750 3.980 15.722 1.00 0.95 H new ATOM 0 HA LYS A 7 5.205 1.232 15.088 1.00 0.99 H new ATOM 0 HB2 LYS A 7 3.283 3.187 16.296 1.00 1.17 H new ATOM 0 HB3 LYS A 7 3.287 1.439 16.419 1.00 1.17 H new ATOM 0 HG2 LYS A 7 4.923 3.466 17.883 1.00 1.64 H new ATOM 0 HG3 LYS A 7 4.089 2.049 18.490 1.00 1.64 H new ATOM 0 HD2 LYS A 7 6.800 2.121 17.123 1.00 2.67 H new ATOM 0 HD3 LYS A 7 6.476 1.804 18.816 1.00 2.67 H new ATOM 0 HE2 LYS A 7 5.568 -0.354 18.366 1.00 3.60 H new ATOM 0 HE3 LYS A 7 5.338 -0.006 16.664 1.00 3.60 H new ATOM 0 HZ1 LYS A 7 7.364 -1.412 17.510 1.00 4.76 H new ATOM 0 HZ2 LYS A 7 7.526 -0.356 16.190 1.00 4.76 H new ATOM 0 HZ3 LYS A 7 8.073 0.115 17.727 1.00 4.76 H new ATOM 116 N ALA A 8 4.044 3.270 12.949 1.00 0.87 N ATOM 117 CA ALA A 8 3.617 3.251 11.552 1.00 0.89 C ATOM 118 C ALA A 8 4.509 2.356 10.673 1.00 0.79 C ATOM 119 O ALA A 8 3.983 1.540 9.916 1.00 0.77 O ATOM 120 CB ALA A 8 3.594 4.680 11.012 1.00 1.12 C ATOM 0 H ALA A 8 4.437 4.164 13.243 1.00 0.87 H new ATOM 0 HA ALA A 8 2.616 2.822 11.515 1.00 0.89 H new ATOM 0 HB1 ALA A 8 3.276 4.670 9.970 1.00 1.12 H new ATOM 0 HB2 ALA A 8 2.897 5.279 11.598 1.00 1.12 H new ATOM 0 HB3 ALA A 8 4.592 5.112 11.082 1.00 1.12 H new ATOM 126 N LEU A 9 5.838 2.472 10.790 1.00 0.82 N ATOM 127 CA LEU A 9 6.795 1.642 10.052 1.00 0.83 C ATOM 128 C LEU A 9 6.697 0.171 10.485 1.00 0.77 C ATOM 129 O LEU A 9 6.678 -0.685 9.597 1.00 0.78 O ATOM 130 CB LEU A 9 8.231 2.190 10.203 1.00 0.97 C ATOM 131 CG LEU A 9 8.591 3.462 9.400 1.00 0.91 C ATOM 132 CD1 LEU A 9 8.366 3.271 7.890 1.00 0.87 C ATOM 133 CD2 LEU A 9 7.858 4.718 9.891 1.00 1.08 C ATOM 0 H LEU A 9 6.282 3.152 11.407 1.00 0.82 H new ATOM 0 HA LEU A 9 6.539 1.686 8.993 1.00 0.83 H new ATOM 0 HB2 LEU A 9 8.404 2.397 11.259 1.00 0.97 H new ATOM 0 HB3 LEU A 9 8.926 1.401 9.915 1.00 0.97 H new ATOM 0 HG LEU A 9 9.655 3.621 9.577 1.00 0.91 H new ATOM 0 HD11 LEU A 9 8.631 4.188 7.364 1.00 0.87 H new ATOM 0 HD12 LEU A 9 8.990 2.453 7.530 1.00 0.87 H new ATOM 0 HD13 LEU A 9 7.318 3.037 7.705 1.00 0.87 H new ATOM 0 HD21 LEU A 9 8.156 5.574 9.285 1.00 1.08 H new ATOM 0 HD22 LEU A 9 6.782 4.569 9.804 1.00 1.08 H new ATOM 0 HD23 LEU A 9 8.115 4.905 10.934 1.00 1.08 H new ATOM 145 N THR A 10 6.519 -0.126 11.785 1.00 0.77 N ATOM 146 CA THR A 10 6.224 -1.489 12.268 1.00 0.83 C ATOM 147 C THR A 10 5.003 -2.065 11.583 1.00 0.79 C ATOM 148 O THR A 10 5.085 -3.164 11.045 1.00 0.86 O ATOM 149 CB THR A 10 5.936 -1.606 13.765 1.00 1.05 C ATOM 150 OG1 THR A 10 6.502 -0.585 14.516 1.00 1.26 O ATOM 151 CG2 THR A 10 6.419 -2.958 14.272 1.00 1.24 C ATOM 0 H THR A 10 6.575 0.569 12.529 1.00 0.77 H new ATOM 0 HA THR A 10 7.143 -2.028 12.038 1.00 0.83 H new ATOM 0 HB THR A 10 4.857 -1.516 13.889 1.00 1.05 H new ATOM 0 HG1 THR A 10 7.451 -0.499 14.288 1.00 1.26 H new ATOM 0 HG21 THR A 10 6.214 -3.041 15.339 1.00 1.24 H new ATOM 0 HG22 THR A 10 5.898 -3.754 13.739 1.00 1.24 H new ATOM 0 HG23 THR A 10 7.492 -3.049 14.101 1.00 1.24 H new ATOM 159 N THR A 11 3.885 -1.330 11.596 1.00 0.70 N ATOM 160 CA THR A 11 2.627 -1.752 10.964 1.00 0.70 C ATOM 161 C THR A 11 2.888 -2.100 9.504 1.00 0.65 C ATOM 162 O THR A 11 2.465 -3.162 9.041 1.00 0.67 O ATOM 163 CB THR A 11 1.568 -0.654 11.106 1.00 0.79 C ATOM 164 OG1 THR A 11 1.306 -0.436 12.472 1.00 0.94 O ATOM 165 CG2 THR A 11 0.241 -1.025 10.442 1.00 1.07 C ATOM 0 H THR A 11 3.826 -0.418 12.049 1.00 0.70 H new ATOM 0 HA THR A 11 2.242 -2.641 11.463 1.00 0.70 H new ATOM 0 HB THR A 11 1.968 0.234 10.617 1.00 0.79 H new ATOM 0 HG1 THR A 11 1.949 0.211 12.829 1.00 0.94 H new ATOM 0 HG21 THR A 11 -0.472 -0.211 10.574 1.00 1.07 H new ATOM 0 HG22 THR A 11 0.402 -1.197 9.378 1.00 1.07 H new ATOM 0 HG23 THR A 11 -0.154 -1.931 10.901 1.00 1.07 H new ATOM 173 N MET A 12 3.656 -1.254 8.813 1.00 0.63 N ATOM 174 CA MET A 12 4.032 -1.408 7.418 1.00 0.62 C ATOM 175 C MET A 12 4.881 -2.666 7.183 1.00 0.62 C ATOM 176 O MET A 12 4.521 -3.468 6.329 1.00 0.60 O ATOM 177 CB MET A 12 4.764 -0.116 7.027 1.00 0.65 C ATOM 178 CG MET A 12 4.488 0.304 5.596 1.00 1.90 C ATOM 179 SD MET A 12 2.842 1.012 5.340 1.00 2.37 S ATOM 180 CE MET A 12 3.235 2.763 5.574 1.00 0.81 C ATOM 0 H MET A 12 4.045 -0.410 9.234 1.00 0.63 H new ATOM 0 HA MET A 12 3.154 -1.554 6.789 1.00 0.62 H new ATOM 0 HB2 MET A 12 4.462 0.686 7.701 1.00 0.65 H new ATOM 0 HB3 MET A 12 5.837 -0.257 7.159 1.00 0.65 H new ATOM 0 HG2 MET A 12 5.238 1.034 5.292 1.00 1.90 H new ATOM 0 HG3 MET A 12 4.605 -0.562 4.945 1.00 1.90 H new ATOM 0 HE1 MET A 12 2.330 3.358 5.452 1.00 0.81 H new ATOM 0 HE2 MET A 12 3.637 2.915 6.576 1.00 0.81 H new ATOM 0 HE3 MET A 12 3.975 3.072 4.836 1.00 0.81 H new ATOM 190 N VAL A 13 5.953 -2.890 7.954 1.00 0.69 N ATOM 191 CA VAL A 13 6.779 -4.109 7.800 1.00 0.80 C ATOM 192 C VAL A 13 6.053 -5.387 8.262 1.00 0.80 C ATOM 193 O VAL A 13 6.331 -6.459 7.734 1.00 0.85 O ATOM 194 CB VAL A 13 8.182 -4.033 8.456 1.00 0.94 C ATOM 195 CG1 VAL A 13 9.044 -2.933 7.816 1.00 1.06 C ATOM 196 CG2 VAL A 13 8.154 -3.840 9.979 1.00 0.91 C ATOM 0 H VAL A 13 6.272 -2.254 8.685 1.00 0.69 H new ATOM 0 HA VAL A 13 6.941 -4.165 6.724 1.00 0.80 H new ATOM 0 HB VAL A 13 8.628 -5.009 8.268 1.00 0.94 H new ATOM 0 HG11 VAL A 13 10.020 -2.908 8.300 1.00 1.06 H new ATOM 0 HG12 VAL A 13 9.171 -3.142 6.754 1.00 1.06 H new ATOM 0 HG13 VAL A 13 8.553 -1.968 7.940 1.00 1.06 H new ATOM 0 HG21 VAL A 13 9.175 -3.797 10.359 1.00 0.91 H new ATOM 0 HG22 VAL A 13 7.638 -2.910 10.218 1.00 0.91 H new ATOM 0 HG23 VAL A 13 7.629 -4.676 10.442 1.00 0.91 H new ATOM 206 N THR A 14 5.106 -5.293 9.209 1.00 0.82 N ATOM 207 CA THR A 14 4.346 -6.446 9.728 1.00 0.86 C ATOM 208 C THR A 14 3.366 -6.950 8.676 1.00 0.87 C ATOM 209 O THR A 14 3.358 -8.141 8.378 1.00 0.99 O ATOM 210 CB THR A 14 3.618 -6.097 11.033 1.00 0.88 C ATOM 211 OG1 THR A 14 4.545 -5.604 11.964 1.00 0.94 O ATOM 212 CG2 THR A 14 2.958 -7.314 11.680 1.00 1.22 C ATOM 0 H THR A 14 4.843 -4.407 9.641 1.00 0.82 H new ATOM 0 HA THR A 14 5.054 -7.243 9.954 1.00 0.86 H new ATOM 0 HB THR A 14 2.853 -5.365 10.776 1.00 0.88 H new ATOM 0 HG1 THR A 14 4.656 -4.639 11.836 1.00 0.94 H new ATOM 0 HG21 THR A 14 2.457 -7.011 12.600 1.00 1.22 H new ATOM 0 HG22 THR A 14 2.227 -7.740 10.993 1.00 1.22 H new ATOM 0 HG23 THR A 14 3.718 -8.061 11.910 1.00 1.22 H new ATOM 220 N THR A 15 2.593 -6.034 8.077 1.00 0.76 N ATOM 221 CA THR A 15 1.692 -6.316 6.947 1.00 0.74 C ATOM 222 C THR A 15 2.444 -6.686 5.686 1.00 0.68 C ATOM 223 O THR A 15 1.990 -7.572 4.976 1.00 0.85 O ATOM 224 CB THR A 15 0.769 -5.139 6.645 1.00 0.74 C ATOM 225 OG1 THR A 15 1.495 -3.928 6.648 1.00 1.25 O ATOM 226 CG2 THR A 15 -0.358 -5.085 7.665 1.00 0.86 C ATOM 0 H THR A 15 2.575 -5.057 8.369 1.00 0.76 H new ATOM 0 HA THR A 15 1.093 -7.171 7.260 1.00 0.74 H new ATOM 0 HB THR A 15 0.338 -5.278 5.653 1.00 0.74 H new ATOM 0 HG1 THR A 15 1.542 -3.577 7.562 1.00 1.25 H new ATOM 0 HG21 THR A 15 -1.011 -4.242 7.441 1.00 0.86 H new ATOM 0 HG22 THR A 15 -0.932 -6.010 7.622 1.00 0.86 H new ATOM 0 HG23 THR A 15 0.061 -4.964 8.664 1.00 0.86 H new ATOM 234 N PHE A 16 3.605 -6.077 5.430 1.00 0.56 N ATOM 235 CA PHE A 16 4.475 -6.498 4.336 1.00 0.54 C ATOM 236 C PHE A 16 4.900 -7.960 4.534 1.00 0.69 C ATOM 237 O PHE A 16 4.713 -8.760 3.624 1.00 0.77 O ATOM 238 CB PHE A 16 5.676 -5.546 4.235 1.00 0.69 C ATOM 239 CG PHE A 16 6.638 -5.723 3.071 1.00 0.78 C ATOM 240 CD1 PHE A 16 6.211 -6.210 1.819 1.00 1.73 C ATOM 241 CD2 PHE A 16 7.982 -5.335 3.239 1.00 2.14 C ATOM 242 CE1 PHE A 16 7.124 -6.290 0.754 1.00 1.71 C ATOM 243 CE2 PHE A 16 8.883 -5.395 2.162 1.00 2.21 C ATOM 244 CZ PHE A 16 8.444 -5.852 0.908 1.00 0.92 C ATOM 0 H PHE A 16 3.962 -5.288 5.969 1.00 0.56 H new ATOM 0 HA PHE A 16 3.936 -6.447 3.390 1.00 0.54 H new ATOM 0 HB2 PHE A 16 5.291 -4.527 4.196 1.00 0.69 H new ATOM 0 HB3 PHE A 16 6.250 -5.635 5.157 1.00 0.69 H new ATOM 0 HD1 PHE A 16 5.186 -6.520 1.679 1.00 1.73 H new ATOM 0 HD2 PHE A 16 8.323 -4.989 4.204 1.00 2.14 H new ATOM 0 HE1 PHE A 16 6.803 -6.694 -0.195 1.00 1.71 H new ATOM 0 HE2 PHE A 16 9.910 -5.091 2.298 1.00 2.21 H new ATOM 0 HZ PHE A 16 9.122 -5.865 0.067 1.00 0.92 H new ATOM 254 N HIS A 17 5.371 -8.354 5.725 1.00 0.87 N ATOM 255 CA HIS A 17 5.814 -9.726 6.005 1.00 1.09 C ATOM 256 C HIS A 17 4.707 -10.804 5.893 1.00 1.16 C ATOM 257 O HIS A 17 4.987 -11.996 5.746 1.00 1.37 O ATOM 258 CB HIS A 17 6.583 -9.771 7.339 1.00 1.20 C ATOM 259 CG HIS A 17 7.594 -10.896 7.433 1.00 1.41 C ATOM 260 ND1 HIS A 17 7.396 -12.211 7.090 1.00 2.46 N ATOM 261 CD2 HIS A 17 8.897 -10.793 7.849 1.00 1.49 C ATOM 262 CE1 HIS A 17 8.538 -12.884 7.306 1.00 2.55 C ATOM 263 NE2 HIS A 17 9.488 -12.059 7.768 1.00 1.84 N ATOM 0 H HIS A 17 5.456 -7.727 6.525 1.00 0.87 H new ATOM 0 HA HIS A 17 6.500 -10.004 5.205 1.00 1.09 H new ATOM 0 HB2 HIS A 17 7.098 -8.821 7.481 1.00 1.20 H new ATOM 0 HB3 HIS A 17 5.868 -9.871 8.155 1.00 1.20 H new ATOM 0 HD1 HIS A 17 6.528 -12.609 6.732 1.00 2.46 H new ATOM 0 HD2 HIS A 17 9.384 -9.889 8.182 1.00 1.49 H new ATOM 0 HE1 HIS A 17 8.672 -13.941 7.132 1.00 2.55 H new ATOM 272 N LYS A 18 3.430 -10.410 5.870 1.00 1.15 N ATOM 273 CA LYS A 18 2.300 -11.294 5.544 1.00 1.34 C ATOM 274 C LYS A 18 2.312 -11.775 4.065 1.00 1.18 C ATOM 275 O LYS A 18 1.531 -12.650 3.685 1.00 1.56 O ATOM 276 CB LYS A 18 1.023 -10.532 5.947 1.00 1.47 C ATOM 277 CG LYS A 18 -0.237 -11.389 6.139 1.00 2.20 C ATOM 278 CD LYS A 18 -1.413 -10.475 6.511 1.00 2.52 C ATOM 279 CE LYS A 18 -2.652 -11.267 6.940 1.00 2.95 C ATOM 280 NZ LYS A 18 -3.761 -10.343 7.258 1.00 3.78 N ATOM 0 H LYS A 18 3.145 -9.453 6.080 1.00 1.15 H new ATOM 0 HA LYS A 18 2.363 -12.229 6.100 1.00 1.34 H new ATOM 0 HB2 LYS A 18 1.220 -9.997 6.876 1.00 1.47 H new ATOM 0 HB3 LYS A 18 0.815 -9.781 5.185 1.00 1.47 H new ATOM 0 HG2 LYS A 18 -0.462 -11.938 5.224 1.00 2.20 H new ATOM 0 HG3 LYS A 18 -0.073 -12.129 6.922 1.00 2.20 H new ATOM 0 HD2 LYS A 18 -1.111 -9.810 7.320 1.00 2.52 H new ATOM 0 HD3 LYS A 18 -1.665 -9.845 5.658 1.00 2.52 H new ATOM 0 HE2 LYS A 18 -2.952 -11.947 6.143 1.00 2.95 H new ATOM 0 HE3 LYS A 18 -2.418 -11.880 7.811 1.00 2.95 H new ATOM 0 HZ1 LYS A 18 -4.407 -10.796 7.935 1.00 3.78 H new ATOM 0 HZ2 LYS A 18 -3.378 -9.471 7.676 1.00 3.78 H new ATOM 0 HZ3 LYS A 18 -4.280 -10.110 6.387 1.00 3.78 H new ATOM 294 N TYR A 19 3.203 -11.224 3.230 1.00 0.76 N ATOM 295 CA TYR A 19 3.304 -11.466 1.788 1.00 0.72 C ATOM 296 C TYR A 19 4.772 -11.545 1.320 1.00 0.70 C ATOM 297 O TYR A 19 5.120 -12.406 0.518 1.00 1.17 O ATOM 298 CB TYR A 19 2.525 -10.355 1.062 1.00 0.70 C ATOM 299 CG TYR A 19 1.042 -10.288 1.407 1.00 0.77 C ATOM 300 CD1 TYR A 19 0.609 -9.508 2.497 1.00 1.56 C ATOM 301 CD2 TYR A 19 0.091 -11.010 0.656 1.00 2.36 C ATOM 302 CE1 TYR A 19 -0.754 -9.468 2.846 1.00 1.57 C ATOM 303 CE2 TYR A 19 -1.276 -10.957 0.985 1.00 2.46 C ATOM 304 CZ TYR A 19 -1.699 -10.196 2.097 1.00 1.01 C ATOM 305 OH TYR A 19 -3.014 -10.122 2.432 1.00 1.18 O ATOM 0 H TYR A 19 3.907 -10.565 3.560 1.00 0.76 H new ATOM 0 HA TYR A 19 2.868 -12.435 1.546 1.00 0.72 H new ATOM 0 HB2 TYR A 19 2.983 -9.395 1.299 1.00 0.70 H new ATOM 0 HB3 TYR A 19 2.628 -10.501 -0.013 1.00 0.70 H new ATOM 0 HD1 TYR A 19 1.327 -8.938 3.068 1.00 1.56 H new ATOM 0 HD2 TYR A 19 0.416 -11.610 -0.181 1.00 2.36 H new ATOM 0 HE1 TYR A 19 -1.076 -8.877 3.691 1.00 1.57 H new ATOM 0 HE2 TYR A 19 -1.998 -11.496 0.390 1.00 2.46 H new ATOM 0 HH TYR A 19 -3.539 -10.679 1.820 1.00 1.18 H new ATOM 315 N SER A 20 5.654 -10.706 1.860 1.00 0.70 N ATOM 316 CA SER A 20 7.107 -10.848 1.752 1.00 0.73 C ATOM 317 C SER A 20 7.645 -11.721 2.898 1.00 1.20 C ATOM 318 O SER A 20 7.823 -11.244 4.019 1.00 3.26 O ATOM 319 CB SER A 20 7.756 -9.454 1.776 1.00 0.90 C ATOM 320 OG SER A 20 7.631 -8.807 3.031 1.00 1.66 O ATOM 0 H SER A 20 5.372 -9.887 2.399 1.00 0.70 H new ATOM 0 HA SER A 20 7.356 -11.339 0.811 1.00 0.73 H new ATOM 0 HB2 SER A 20 8.813 -9.547 1.525 1.00 0.90 H new ATOM 0 HB3 SER A 20 7.299 -8.833 1.006 1.00 0.90 H new ATOM 0 HG SER A 20 7.265 -7.907 2.900 1.00 1.66 H new ATOM 326 N GLY A 21 7.945 -12.995 2.657 1.00 1.18 N ATOM 327 CA GLY A 21 8.631 -13.849 3.640 1.00 1.20 C ATOM 328 C GLY A 21 7.775 -14.936 4.276 1.00 1.19 C ATOM 329 O GLY A 21 8.171 -15.461 5.309 1.00 1.80 O ATOM 0 H GLY A 21 7.723 -13.468 1.781 1.00 1.18 H new ATOM 0 HA2 GLY A 21 9.484 -14.321 3.152 1.00 1.20 H new ATOM 0 HA3 GLY A 21 9.028 -13.214 4.432 1.00 1.20 H new ATOM 332 N ARG A 22 6.641 -15.302 3.663 1.00 1.35 N ATOM 333 CA ARG A 22 5.926 -16.541 3.983 1.00 2.06 C ATOM 334 C ARG A 22 6.746 -17.731 3.448 1.00 2.56 C ATOM 335 O ARG A 22 7.483 -18.363 4.194 1.00 3.37 O ATOM 336 CB ARG A 22 4.526 -16.552 3.354 1.00 2.19 C ATOM 337 CG ARG A 22 3.481 -15.528 3.816 1.00 2.81 C ATOM 338 CD ARG A 22 2.111 -15.903 3.213 1.00 3.12 C ATOM 339 NE ARG A 22 2.197 -16.194 1.771 1.00 2.24 N ATOM 340 CZ ARG A 22 1.968 -15.376 0.757 1.00 2.36 C ATOM 341 NH1 ARG A 22 1.309 -14.243 0.863 1.00 3.51 N ATOM 342 NH2 ARG A 22 2.440 -15.670 -0.425 1.00 3.02 N ATOM 0 H ARG A 22 6.195 -14.747 2.932 1.00 1.35 H new ATOM 0 HA ARG A 22 5.807 -16.614 5.064 1.00 2.06 H new ATOM 0 HB2 ARG A 22 4.651 -16.429 2.278 1.00 2.19 H new ATOM 0 HB3 ARG A 22 4.104 -17.544 3.514 1.00 2.19 H new ATOM 0 HG2 ARG A 22 3.422 -15.514 4.904 1.00 2.81 H new ATOM 0 HG3 ARG A 22 3.770 -14.526 3.500 1.00 2.81 H new ATOM 0 HD2 ARG A 22 1.713 -16.774 3.734 1.00 3.12 H new ATOM 0 HD3 ARG A 22 1.409 -15.085 3.375 1.00 3.12 H new ATOM 0 HE ARG A 22 2.467 -17.146 1.524 1.00 2.24 H new ATOM 0 HH11 ARG A 22 0.940 -13.950 1.768 1.00 3.51 H new ATOM 0 HH12 ARG A 22 1.167 -13.657 0.040 1.00 3.51 H new ATOM 0 HH21 ARG A 22 2.980 -16.525 -0.560 1.00 3.02 H new ATOM 0 HH22 ARG A 22 2.268 -15.045 -1.213 1.00 3.02 H new ATOM 356 N GLU A 23 6.647 -17.989 2.140 1.00 2.82 N ATOM 357 CA GLU A 23 7.370 -19.052 1.446 1.00 3.55 C ATOM 358 C GLU A 23 8.804 -18.632 1.077 1.00 3.40 C ATOM 359 O GLU A 23 9.692 -19.473 0.966 1.00 3.91 O ATOM 360 CB GLU A 23 6.614 -19.467 0.169 1.00 4.11 C ATOM 361 CG GLU A 23 5.137 -19.882 0.361 1.00 4.77 C ATOM 362 CD GLU A 23 4.194 -18.708 0.640 1.00 5.47 C ATOM 363 OE1 GLU A 23 4.454 -17.590 0.144 1.00 5.36 O ATOM 364 OE2 GLU A 23 3.246 -18.854 1.436 1.00 6.79 O ATOM 0 H GLU A 23 6.044 -17.447 1.520 1.00 2.82 H new ATOM 0 HA GLU A 23 7.432 -19.897 2.132 1.00 3.55 H new ATOM 0 HB2 GLU A 23 6.649 -18.637 -0.536 1.00 4.11 H new ATOM 0 HB3 GLU A 23 7.148 -20.299 -0.291 1.00 4.11 H new ATOM 0 HG2 GLU A 23 4.797 -20.404 -0.534 1.00 4.77 H new ATOM 0 HG3 GLU A 23 5.073 -20.591 1.187 1.00 4.77 H new ATOM 371 N GLY A 24 9.039 -17.324 0.895 1.00 3.34 N ATOM 372 CA GLY A 24 10.351 -16.732 0.629 1.00 3.30 C ATOM 373 C GLY A 24 10.339 -15.200 0.594 1.00 3.03 C ATOM 374 O GLY A 24 9.271 -14.597 0.618 1.00 4.46 O ATOM 0 H GLY A 24 8.293 -16.629 0.931 1.00 3.34 H new ATOM 0 HA2 GLY A 24 11.052 -17.064 1.395 1.00 3.30 H new ATOM 0 HA3 GLY A 24 10.722 -17.106 -0.325 1.00 3.30 H new ATOM 377 N SER A 25 11.534 -14.599 0.552 1.00 2.03 N ATOM 378 CA SER A 25 11.787 -13.164 0.287 1.00 1.71 C ATOM 379 C SER A 25 11.204 -12.203 1.347 1.00 1.52 C ATOM 380 O SER A 25 10.142 -11.628 1.133 1.00 1.75 O ATOM 381 CB SER A 25 11.272 -12.758 -1.106 1.00 2.48 C ATOM 382 OG SER A 25 12.012 -13.386 -2.140 1.00 3.48 O ATOM 0 H SER A 25 12.397 -15.119 0.709 1.00 2.03 H new ATOM 0 HA SER A 25 12.871 -13.062 0.336 1.00 1.71 H new ATOM 0 HB2 SER A 25 10.219 -13.025 -1.197 1.00 2.48 H new ATOM 0 HB3 SER A 25 11.337 -11.676 -1.217 1.00 2.48 H new ATOM 0 HG SER A 25 11.658 -13.108 -3.011 1.00 3.48 H new ATOM 388 N LYS A 26 11.879 -11.935 2.478 1.00 1.42 N ATOM 389 CA LYS A 26 11.253 -11.184 3.588 1.00 1.31 C ATOM 390 C LYS A 26 11.286 -9.647 3.428 1.00 1.17 C ATOM 391 O LYS A 26 11.216 -8.893 4.393 1.00 1.25 O ATOM 392 CB LYS A 26 11.720 -11.739 4.943 1.00 1.59 C ATOM 393 CG LYS A 26 13.236 -11.787 5.183 1.00 1.36 C ATOM 394 CD LYS A 26 13.476 -12.244 6.633 1.00 1.77 C ATOM 395 CE LYS A 26 14.916 -12.037 7.113 1.00 2.29 C ATOM 396 NZ LYS A 26 15.912 -12.865 6.410 1.00 2.88 N ATOM 0 H LYS A 26 12.843 -12.220 2.650 1.00 1.42 H new ATOM 0 HA LYS A 26 10.179 -11.364 3.548 1.00 1.31 H new ATOM 0 HB2 LYS A 26 11.270 -11.136 5.731 1.00 1.59 H new ATOM 0 HB3 LYS A 26 11.326 -12.750 5.051 1.00 1.59 H new ATOM 0 HG2 LYS A 26 13.711 -12.475 4.483 1.00 1.36 H new ATOM 0 HG3 LYS A 26 13.679 -10.806 5.015 1.00 1.36 H new ATOM 0 HD2 LYS A 26 12.801 -11.699 7.293 1.00 1.77 H new ATOM 0 HD3 LYS A 26 13.222 -13.301 6.718 1.00 1.77 H new ATOM 0 HE2 LYS A 26 15.181 -10.987 6.990 1.00 2.29 H new ATOM 0 HE3 LYS A 26 14.966 -12.255 8.180 1.00 2.29 H new ATOM 0 HZ1 LYS A 26 16.866 -12.497 6.600 1.00 2.88 H new ATOM 0 HZ2 LYS A 26 15.846 -13.847 6.746 1.00 2.88 H new ATOM 0 HZ3 LYS A 26 15.728 -12.836 5.387 1.00 2.88 H new ATOM 410 N LEU A 27 11.405 -9.194 2.170 1.00 1.40 N ATOM 411 CA LEU A 27 11.634 -7.800 1.766 1.00 1.31 C ATOM 412 C LEU A 27 11.264 -7.470 0.303 1.00 1.09 C ATOM 413 O LEU A 27 11.539 -6.350 -0.141 1.00 1.18 O ATOM 414 CB LEU A 27 13.094 -7.409 2.077 1.00 1.58 C ATOM 415 CG LEU A 27 14.135 -8.268 1.322 1.00 2.75 C ATOM 416 CD1 LEU A 27 15.283 -7.387 0.816 1.00 3.10 C ATOM 417 CD2 LEU A 27 14.669 -9.394 2.221 1.00 3.89 C ATOM 0 H LEU A 27 11.341 -9.822 1.369 1.00 1.40 H new ATOM 0 HA LEU A 27 10.944 -7.196 2.356 1.00 1.31 H new ATOM 0 HB2 LEU A 27 13.244 -6.360 1.820 1.00 1.58 H new ATOM 0 HB3 LEU A 27 13.266 -7.502 3.149 1.00 1.58 H new ATOM 0 HG LEU A 27 13.646 -8.727 0.463 1.00 2.75 H new ATOM 0 HD11 LEU A 27 16.009 -8.004 0.286 1.00 3.10 H new ATOM 0 HD12 LEU A 27 14.889 -6.629 0.139 1.00 3.10 H new ATOM 0 HD13 LEU A 27 15.769 -6.901 1.662 1.00 3.10 H new ATOM 0 HD21 LEU A 27 15.400 -9.985 1.669 1.00 3.89 H new ATOM 0 HD22 LEU A 27 15.143 -8.962 3.102 1.00 3.89 H new ATOM 0 HD23 LEU A 27 13.843 -10.035 2.531 1.00 3.89 H new ATOM 429 N THR A 28 10.634 -8.397 -0.432 1.00 1.11 N ATOM 430 CA THR A 28 10.043 -8.170 -1.760 1.00 0.98 C ATOM 431 C THR A 28 8.731 -8.934 -1.879 1.00 0.97 C ATOM 432 O THR A 28 8.436 -9.806 -1.064 1.00 1.16 O ATOM 433 CB THR A 28 10.974 -8.583 -2.909 1.00 1.15 C ATOM 434 OG1 THR A 28 11.306 -9.940 -2.777 1.00 1.45 O ATOM 435 CG2 THR A 28 12.264 -7.767 -2.977 1.00 1.31 C ATOM 0 H THR A 28 10.517 -9.357 -0.109 1.00 1.11 H new ATOM 0 HA THR A 28 9.873 -7.097 -1.848 1.00 0.98 H new ATOM 0 HB THR A 28 10.425 -8.393 -3.832 1.00 1.15 H new ATOM 0 HG1 THR A 28 11.670 -10.272 -3.624 1.00 1.45 H new ATOM 0 HG21 THR A 28 12.871 -8.115 -3.813 1.00 1.31 H new ATOM 0 HG22 THR A 28 12.021 -6.714 -3.119 1.00 1.31 H new ATOM 0 HG23 THR A 28 12.821 -7.889 -2.048 1.00 1.31 H new ATOM 443 N LEU A 29 7.955 -8.624 -2.914 1.00 0.86 N ATOM 444 CA LEU A 29 6.736 -9.333 -3.324 1.00 0.92 C ATOM 445 C LEU A 29 6.441 -9.069 -4.809 1.00 0.83 C ATOM 446 O LEU A 29 7.141 -8.287 -5.441 1.00 0.78 O ATOM 447 CB LEU A 29 5.561 -9.050 -2.350 1.00 0.97 C ATOM 448 CG LEU A 29 4.690 -7.785 -2.561 1.00 0.98 C ATOM 449 CD1 LEU A 29 3.557 -7.811 -1.525 1.00 1.12 C ATOM 450 CD2 LEU A 29 5.400 -6.430 -2.436 1.00 1.03 C ATOM 0 H LEU A 29 8.166 -7.833 -3.523 1.00 0.86 H new ATOM 0 HA LEU A 29 6.889 -10.409 -3.247 1.00 0.92 H new ATOM 0 HB2 LEU A 29 4.897 -9.914 -2.378 1.00 0.97 H new ATOM 0 HB3 LEU A 29 5.975 -8.999 -1.343 1.00 0.97 H new ATOM 0 HG LEU A 29 4.357 -7.843 -3.597 1.00 0.98 H new ATOM 0 HD11 LEU A 29 2.928 -6.930 -1.652 1.00 1.12 H new ATOM 0 HD12 LEU A 29 2.956 -8.709 -1.666 1.00 1.12 H new ATOM 0 HD13 LEU A 29 3.982 -7.812 -0.521 1.00 1.12 H new ATOM 0 HD21 LEU A 29 4.683 -5.627 -2.605 1.00 1.03 H new ATOM 0 HD22 LEU A 29 5.825 -6.333 -1.437 1.00 1.03 H new ATOM 0 HD23 LEU A 29 6.197 -6.367 -3.177 1.00 1.03 H new ATOM 462 N SER A 30 5.448 -9.723 -5.406 1.00 1.00 N ATOM 463 CA SER A 30 5.064 -9.458 -6.801 1.00 0.96 C ATOM 464 C SER A 30 4.004 -8.346 -6.912 1.00 0.96 C ATOM 465 O SER A 30 3.269 -8.042 -5.965 1.00 0.98 O ATOM 466 CB SER A 30 4.583 -10.750 -7.461 1.00 1.07 C ATOM 467 OG SER A 30 3.388 -11.218 -6.860 1.00 1.62 O ATOM 0 H SER A 30 4.890 -10.444 -4.949 1.00 1.00 H new ATOM 0 HA SER A 30 5.946 -9.097 -7.330 1.00 0.96 H new ATOM 0 HB2 SER A 30 4.415 -10.578 -8.524 1.00 1.07 H new ATOM 0 HB3 SER A 30 5.357 -11.513 -7.380 1.00 1.07 H new ATOM 0 HG SER A 30 3.101 -12.044 -7.302 1.00 1.62 H new ATOM 473 N ARG A 31 3.871 -7.735 -8.097 1.00 1.00 N ATOM 474 CA ARG A 31 2.869 -6.683 -8.336 1.00 1.02 C ATOM 475 C ARG A 31 1.429 -7.185 -8.149 1.00 1.04 C ATOM 476 O ARG A 31 0.599 -6.467 -7.588 1.00 1.01 O ATOM 477 CB ARG A 31 3.012 -6.056 -9.727 1.00 1.18 C ATOM 478 CG ARG A 31 4.452 -5.857 -10.226 1.00 1.27 C ATOM 479 CD ARG A 31 4.555 -4.639 -11.151 1.00 1.82 C ATOM 480 NE ARG A 31 4.400 -3.363 -10.421 1.00 1.89 N ATOM 481 CZ ARG A 31 5.336 -2.527 -9.981 1.00 2.10 C ATOM 482 NH1 ARG A 31 6.620 -2.635 -10.250 1.00 2.48 N ATOM 483 NH2 ARG A 31 4.990 -1.521 -9.209 1.00 2.85 N ATOM 0 H ARG A 31 4.447 -7.952 -8.910 1.00 1.00 H new ATOM 0 HA ARG A 31 3.066 -5.920 -7.583 1.00 1.02 H new ATOM 0 HB2 ARG A 31 2.483 -6.684 -10.444 1.00 1.18 H new ATOM 0 HB3 ARG A 31 2.512 -5.087 -9.721 1.00 1.18 H new ATOM 0 HG2 ARG A 31 5.120 -5.728 -9.375 1.00 1.27 H new ATOM 0 HG3 ARG A 31 4.782 -6.750 -10.758 1.00 1.27 H new ATOM 0 HD2 ARG A 31 5.521 -4.650 -11.656 1.00 1.82 H new ATOM 0 HD3 ARG A 31 3.790 -4.708 -11.924 1.00 1.82 H new ATOM 0 HE ARG A 31 3.438 -3.084 -10.227 1.00 1.89 H new ATOM 0 HH11 ARG A 31 6.956 -3.401 -10.834 1.00 2.48 H new ATOM 0 HH12 ARG A 31 7.279 -1.953 -9.875 1.00 2.48 H new ATOM 0 HH21 ARG A 31 4.012 -1.388 -8.953 1.00 2.85 H new ATOM 0 HH22 ARG A 31 5.700 -0.874 -8.866 1.00 2.85 H new ATOM 497 N LYS A 32 1.132 -8.429 -8.547 1.00 1.12 N ATOM 498 CA LYS A 32 -0.134 -9.106 -8.214 1.00 1.11 C ATOM 499 C LYS A 32 -0.368 -9.182 -6.693 1.00 1.03 C ATOM 500 O LYS A 32 -1.492 -8.919 -6.251 1.00 1.06 O ATOM 501 CB LYS A 32 -0.136 -10.533 -8.801 1.00 1.15 C ATOM 502 CG LYS A 32 -0.183 -10.620 -10.334 1.00 1.96 C ATOM 503 CD LYS A 32 -1.583 -10.525 -10.970 1.00 2.82 C ATOM 504 CE LYS A 32 -1.393 -10.695 -12.484 1.00 3.93 C ATOM 505 NZ LYS A 32 -2.636 -10.779 -13.272 1.00 5.16 N ATOM 0 H LYS A 32 1.763 -8.998 -9.111 1.00 1.12 H new ATOM 0 HA LYS A 32 -0.941 -8.517 -8.650 1.00 1.11 H new ATOM 0 HB2 LYS A 32 0.758 -11.051 -8.453 1.00 1.15 H new ATOM 0 HB3 LYS A 32 -0.994 -11.071 -8.398 1.00 1.15 H new ATOM 0 HG2 LYS A 32 0.436 -9.821 -10.743 1.00 1.96 H new ATOM 0 HG3 LYS A 32 0.270 -11.563 -10.639 1.00 1.96 H new ATOM 0 HD2 LYS A 32 -2.241 -11.298 -10.574 1.00 2.82 H new ATOM 0 HD3 LYS A 32 -2.046 -9.565 -10.744 1.00 2.82 H new ATOM 0 HE2 LYS A 32 -0.803 -9.857 -12.855 1.00 3.93 H new ATOM 0 HE3 LYS A 32 -0.809 -11.598 -12.661 1.00 3.93 H new ATOM 0 HZ1 LYS A 32 -2.449 -11.281 -14.164 1.00 5.16 H new ATOM 0 HZ2 LYS A 32 -3.357 -11.296 -12.729 1.00 5.16 H new ATOM 0 HZ3 LYS A 32 -2.981 -9.820 -13.480 1.00 5.16 H new ATOM 519 N GLU A 33 0.676 -9.508 -5.921 1.00 1.00 N ATOM 520 CA GLU A 33 0.632 -9.713 -4.468 1.00 0.93 C ATOM 521 C GLU A 33 0.442 -8.387 -3.708 1.00 0.87 C ATOM 522 O GLU A 33 -0.477 -8.289 -2.900 1.00 0.93 O ATOM 523 CB GLU A 33 1.919 -10.440 -4.028 1.00 1.04 C ATOM 524 CG GLU A 33 1.867 -11.071 -2.633 1.00 1.27 C ATOM 525 CD GLU A 33 1.239 -12.468 -2.626 1.00 1.55 C ATOM 526 OE1 GLU A 33 0.369 -12.711 -3.487 1.00 2.31 O ATOM 527 OE2 GLU A 33 1.611 -13.269 -1.733 1.00 2.37 O ATOM 0 H GLU A 33 1.611 -9.641 -6.306 1.00 1.00 H new ATOM 0 HA GLU A 33 -0.232 -10.330 -4.222 1.00 0.93 H new ATOM 0 HB2 GLU A 33 2.142 -11.221 -4.755 1.00 1.04 H new ATOM 0 HB3 GLU A 33 2.746 -9.731 -4.058 1.00 1.04 H new ATOM 0 HG2 GLU A 33 2.878 -11.132 -2.231 1.00 1.27 H new ATOM 0 HG3 GLU A 33 1.299 -10.421 -1.968 1.00 1.27 H new ATOM 534 N LEU A 34 1.209 -7.329 -4.028 1.00 0.80 N ATOM 535 CA LEU A 34 1.025 -5.962 -3.496 1.00 0.78 C ATOM 536 C LEU A 34 -0.433 -5.522 -3.568 1.00 0.71 C ATOM 537 O LEU A 34 -1.018 -5.052 -2.590 1.00 0.64 O ATOM 538 CB LEU A 34 1.916 -5.001 -4.314 1.00 0.92 C ATOM 539 CG LEU A 34 1.581 -3.493 -4.220 1.00 1.28 C ATOM 540 CD1 LEU A 34 1.766 -2.972 -2.795 1.00 1.56 C ATOM 541 CD2 LEU A 34 2.441 -2.648 -5.171 1.00 1.46 C ATOM 0 H LEU A 34 1.992 -7.400 -4.678 1.00 0.80 H new ATOM 0 HA LEU A 34 1.311 -5.946 -2.444 1.00 0.78 H new ATOM 0 HB2 LEU A 34 2.949 -5.141 -3.995 1.00 0.92 H new ATOM 0 HB3 LEU A 34 1.863 -5.297 -5.362 1.00 0.92 H new ATOM 0 HG LEU A 34 0.536 -3.396 -4.514 1.00 1.28 H new ATOM 0 HD11 LEU A 34 1.523 -1.910 -2.761 1.00 1.56 H new ATOM 0 HD12 LEU A 34 1.106 -3.517 -2.120 1.00 1.56 H new ATOM 0 HD13 LEU A 34 2.801 -3.117 -2.486 1.00 1.56 H new ATOM 0 HD21 LEU A 34 2.170 -1.597 -5.070 1.00 1.46 H new ATOM 0 HD22 LEU A 34 3.494 -2.777 -4.921 1.00 1.46 H new ATOM 0 HD23 LEU A 34 2.270 -2.969 -6.198 1.00 1.46 H new ATOM 553 N LYS A 35 -1.023 -5.697 -4.752 1.00 0.80 N ATOM 554 CA LYS A 35 -2.410 -5.346 -5.018 1.00 0.85 C ATOM 555 C LYS A 35 -3.370 -6.064 -4.047 1.00 0.82 C ATOM 556 O LYS A 35 -4.367 -5.478 -3.629 1.00 0.90 O ATOM 557 CB LYS A 35 -2.617 -5.675 -6.511 1.00 0.94 C ATOM 558 CG LYS A 35 -3.930 -5.208 -7.137 1.00 1.60 C ATOM 559 CD LYS A 35 -5.166 -6.078 -6.852 1.00 1.92 C ATOM 560 CE LYS A 35 -5.135 -7.440 -7.540 1.00 2.11 C ATOM 561 NZ LYS A 35 -4.429 -8.504 -6.774 1.00 3.22 N ATOM 0 H LYS A 35 -0.541 -6.092 -5.560 1.00 0.80 H new ATOM 0 HA LYS A 35 -2.635 -4.294 -4.840 1.00 0.85 H new ATOM 0 HB2 LYS A 35 -1.795 -5.234 -7.075 1.00 0.94 H new ATOM 0 HB3 LYS A 35 -2.545 -6.756 -6.635 1.00 0.94 H new ATOM 0 HG2 LYS A 35 -4.135 -4.196 -6.787 1.00 1.60 H new ATOM 0 HG3 LYS A 35 -3.793 -5.150 -8.217 1.00 1.60 H new ATOM 0 HD2 LYS A 35 -5.253 -6.227 -5.776 1.00 1.92 H new ATOM 0 HD3 LYS A 35 -6.058 -5.540 -7.172 1.00 1.92 H new ATOM 0 HE2 LYS A 35 -6.160 -7.763 -7.725 1.00 2.11 H new ATOM 0 HE3 LYS A 35 -4.655 -7.331 -8.512 1.00 2.11 H new ATOM 0 HZ1 LYS A 35 -3.842 -9.067 -7.422 1.00 3.22 H new ATOM 0 HZ2 LYS A 35 -3.823 -8.067 -6.050 1.00 3.22 H new ATOM 0 HZ3 LYS A 35 -5.127 -9.122 -6.314 1.00 3.22 H new ATOM 575 N GLU A 36 -3.057 -7.312 -3.684 1.00 0.77 N ATOM 576 CA GLU A 36 -3.872 -8.193 -2.855 1.00 0.78 C ATOM 577 C GLU A 36 -3.697 -7.945 -1.351 1.00 0.66 C ATOM 578 O GLU A 36 -4.679 -7.944 -0.614 1.00 0.76 O ATOM 579 CB GLU A 36 -3.517 -9.643 -3.224 1.00 0.98 C ATOM 580 CG GLU A 36 -4.677 -10.599 -2.933 1.00 1.33 C ATOM 581 CD GLU A 36 -5.944 -10.251 -3.729 1.00 1.96 C ATOM 582 OE1 GLU A 36 -5.839 -9.558 -4.767 1.00 3.07 O ATOM 583 OE2 GLU A 36 -7.045 -10.640 -3.282 1.00 2.26 O ATOM 0 H GLU A 36 -2.185 -7.753 -3.977 1.00 0.77 H new ATOM 0 HA GLU A 36 -4.923 -7.987 -3.055 1.00 0.78 H new ATOM 0 HB2 GLU A 36 -3.257 -9.697 -4.281 1.00 0.98 H new ATOM 0 HB3 GLU A 36 -2.637 -9.957 -2.663 1.00 0.98 H new ATOM 0 HG2 GLU A 36 -4.371 -11.618 -3.171 1.00 1.33 H new ATOM 0 HG3 GLU A 36 -4.904 -10.575 -1.867 1.00 1.33 H new ATOM 590 N LEU A 37 -2.471 -7.642 -0.919 1.00 0.63 N ATOM 591 CA LEU A 37 -2.136 -7.091 0.396 1.00 0.64 C ATOM 592 C LEU A 37 -3.017 -5.873 0.695 1.00 0.65 C ATOM 593 O LEU A 37 -3.757 -5.861 1.680 1.00 0.71 O ATOM 594 CB LEU A 37 -0.612 -6.813 0.374 1.00 0.71 C ATOM 595 CG LEU A 37 -0.011 -5.780 1.346 1.00 0.81 C ATOM 596 CD1 LEU A 37 -0.360 -5.994 2.819 1.00 0.99 C ATOM 597 CD2 LEU A 37 1.518 -5.811 1.177 1.00 1.44 C ATOM 0 H LEU A 37 -1.647 -7.780 -1.503 1.00 0.63 H new ATOM 0 HA LEU A 37 -2.342 -7.776 1.218 1.00 0.64 H new ATOM 0 HB2 LEU A 37 -0.105 -7.761 0.552 1.00 0.71 H new ATOM 0 HB3 LEU A 37 -0.353 -6.498 -0.637 1.00 0.71 H new ATOM 0 HG LEU A 37 -0.447 -4.815 1.087 1.00 0.81 H new ATOM 0 HD11 LEU A 37 0.110 -5.216 3.421 1.00 0.99 H new ATOM 0 HD12 LEU A 37 -1.441 -5.948 2.947 1.00 0.99 H new ATOM 0 HD13 LEU A 37 0.002 -6.970 3.141 1.00 0.99 H new ATOM 0 HD21 LEU A 37 1.974 -5.088 1.854 1.00 1.44 H new ATOM 0 HD22 LEU A 37 1.889 -6.809 1.409 1.00 1.44 H new ATOM 0 HD23 LEU A 37 1.776 -5.557 0.149 1.00 1.44 H new ATOM 609 N ILE A 38 -3.025 -4.885 -0.200 1.00 0.63 N ATOM 610 CA ILE A 38 -3.863 -3.690 -0.025 1.00 0.70 C ATOM 611 C ILE A 38 -5.361 -4.038 -0.030 1.00 0.77 C ATOM 612 O ILE A 38 -6.110 -3.506 0.781 1.00 1.05 O ATOM 613 CB ILE A 38 -3.450 -2.618 -1.060 1.00 0.71 C ATOM 614 CG1 ILE A 38 -1.981 -2.204 -0.777 1.00 0.80 C ATOM 615 CG2 ILE A 38 -4.389 -1.396 -1.016 1.00 0.84 C ATOM 616 CD1 ILE A 38 -1.407 -1.190 -1.766 1.00 1.04 C ATOM 0 H ILE A 38 -2.464 -4.885 -1.052 1.00 0.63 H new ATOM 0 HA ILE A 38 -3.692 -3.259 0.961 1.00 0.70 H new ATOM 0 HB ILE A 38 -3.530 -3.035 -2.064 1.00 0.71 H new ATOM 0 HG12 ILE A 38 -1.922 -1.786 0.228 1.00 0.80 H new ATOM 0 HG13 ILE A 38 -1.356 -3.097 -0.788 1.00 0.80 H new ATOM 0 HG21 ILE A 38 -4.068 -0.664 -1.757 1.00 0.84 H new ATOM 0 HG22 ILE A 38 -5.408 -1.712 -1.237 1.00 0.84 H new ATOM 0 HG23 ILE A 38 -4.355 -0.947 -0.023 1.00 0.84 H new ATOM 0 HD11 ILE A 38 -0.378 -0.958 -1.493 1.00 1.04 H new ATOM 0 HD12 ILE A 38 -1.430 -1.610 -2.772 1.00 1.04 H new ATOM 0 HD13 ILE A 38 -2.004 -0.278 -1.740 1.00 1.04 H new ATOM 628 N LYS A 39 -5.808 -4.982 -0.862 1.00 0.77 N ATOM 629 CA LYS A 39 -7.205 -5.429 -0.937 1.00 0.92 C ATOM 630 C LYS A 39 -7.689 -6.275 0.259 1.00 0.92 C ATOM 631 O LYS A 39 -8.878 -6.593 0.322 1.00 1.15 O ATOM 632 CB LYS A 39 -7.382 -6.192 -2.263 1.00 1.04 C ATOM 633 CG LYS A 39 -7.748 -5.289 -3.451 1.00 1.47 C ATOM 634 CD LYS A 39 -9.231 -4.904 -3.422 1.00 1.99 C ATOM 635 CE LYS A 39 -9.587 -4.059 -4.649 1.00 2.87 C ATOM 636 NZ LYS A 39 -11.042 -3.804 -4.718 1.00 3.54 N ATOM 0 H LYS A 39 -5.197 -5.469 -1.518 1.00 0.77 H new ATOM 0 HA LYS A 39 -7.834 -4.540 -0.895 1.00 0.92 H new ATOM 0 HB2 LYS A 39 -6.458 -6.723 -2.493 1.00 1.04 H new ATOM 0 HB3 LYS A 39 -8.160 -6.945 -2.137 1.00 1.04 H new ATOM 0 HG2 LYS A 39 -7.136 -4.388 -3.427 1.00 1.47 H new ATOM 0 HG3 LYS A 39 -7.522 -5.804 -4.385 1.00 1.47 H new ATOM 0 HD2 LYS A 39 -9.846 -5.803 -3.401 1.00 1.99 H new ATOM 0 HD3 LYS A 39 -9.451 -4.346 -2.512 1.00 1.99 H new ATOM 0 HE2 LYS A 39 -9.050 -3.111 -4.609 1.00 2.87 H new ATOM 0 HE3 LYS A 39 -9.262 -4.572 -5.554 1.00 2.87 H new ATOM 0 HZ1 LYS A 39 -11.225 -3.013 -5.368 1.00 3.54 H new ATOM 0 HZ2 LYS A 39 -11.528 -4.656 -5.064 1.00 3.54 H new ATOM 0 HZ3 LYS A 39 -11.398 -3.563 -3.771 1.00 3.54 H new ATOM 650 N LYS A 40 -6.803 -6.704 1.164 1.00 0.82 N ATOM 651 CA LYS A 40 -7.133 -7.393 2.416 1.00 0.98 C ATOM 652 C LYS A 40 -6.922 -6.523 3.666 1.00 1.08 C ATOM 653 O LYS A 40 -7.772 -6.535 4.557 1.00 1.32 O ATOM 654 CB LYS A 40 -6.266 -8.663 2.494 1.00 1.03 C ATOM 655 CG LYS A 40 -6.937 -9.906 1.922 1.00 1.47 C ATOM 656 CD LYS A 40 -7.420 -9.791 0.475 1.00 1.63 C ATOM 657 CE LYS A 40 -7.986 -11.149 0.079 1.00 1.97 C ATOM 658 NZ LYS A 40 -8.683 -11.082 -1.223 1.00 2.71 N ATOM 0 H LYS A 40 -5.799 -6.576 1.040 1.00 0.82 H new ATOM 0 HA LYS A 40 -8.196 -7.635 2.404 1.00 0.98 H new ATOM 0 HB2 LYS A 40 -5.333 -8.487 1.959 1.00 1.03 H new ATOM 0 HB3 LYS A 40 -6.006 -8.850 3.536 1.00 1.03 H new ATOM 0 HG2 LYS A 40 -6.236 -10.738 1.987 1.00 1.47 H new ATOM 0 HG3 LYS A 40 -7.790 -10.159 2.552 1.00 1.47 H new ATOM 0 HD2 LYS A 40 -8.181 -9.016 0.384 1.00 1.63 H new ATOM 0 HD3 LYS A 40 -6.598 -9.510 -0.184 1.00 1.63 H new ATOM 0 HE2 LYS A 40 -7.179 -11.880 0.025 1.00 1.97 H new ATOM 0 HE3 LYS A 40 -8.678 -11.495 0.847 1.00 1.97 H new ATOM 0 HZ1 LYS A 40 -9.392 -11.841 -1.277 1.00 2.71 H new ATOM 0 HZ2 LYS A 40 -9.155 -10.160 -1.317 1.00 2.71 H new ATOM 0 HZ3 LYS A 40 -7.993 -11.198 -1.992 1.00 2.71 H new ATOM 672 N GLU A 41 -5.789 -5.817 3.753 1.00 1.00 N ATOM 673 CA GLU A 41 -5.389 -5.119 4.978 1.00 1.07 C ATOM 674 C GLU A 41 -5.948 -3.679 5.056 1.00 1.15 C ATOM 675 O GLU A 41 -5.952 -3.079 6.135 1.00 1.45 O ATOM 676 CB GLU A 41 -3.861 -5.160 5.139 1.00 1.23 C ATOM 677 CG GLU A 41 -3.208 -6.546 4.982 1.00 1.75 C ATOM 678 CD GLU A 41 -3.700 -7.586 5.977 1.00 3.15 C ATOM 679 OE1 GLU A 41 -3.083 -7.730 7.058 1.00 3.81 O ATOM 680 OE2 GLU A 41 -4.620 -8.370 5.649 1.00 4.44 O ATOM 0 H GLU A 41 -5.129 -5.714 2.982 1.00 1.00 H new ATOM 0 HA GLU A 41 -5.834 -5.649 5.820 1.00 1.07 H new ATOM 0 HB2 GLU A 41 -3.419 -4.486 4.406 1.00 1.23 H new ATOM 0 HB3 GLU A 41 -3.608 -4.769 6.125 1.00 1.23 H new ATOM 0 HG2 GLU A 41 -3.394 -6.910 3.972 1.00 1.75 H new ATOM 0 HG3 GLU A 41 -2.128 -6.440 5.089 1.00 1.75 H new ATOM 687 N LEU A 42 -6.472 -3.135 3.947 1.00 1.10 N ATOM 688 CA LEU A 42 -7.504 -2.105 3.927 1.00 1.14 C ATOM 689 C LEU A 42 -8.873 -2.735 3.624 1.00 1.23 C ATOM 690 O LEU A 42 -8.962 -3.847 3.104 1.00 1.70 O ATOM 691 CB LEU A 42 -7.142 -1.056 2.860 1.00 1.47 C ATOM 692 CG LEU A 42 -6.601 0.276 3.393 1.00 1.30 C ATOM 693 CD1 LEU A 42 -7.685 1.052 4.153 1.00 2.59 C ATOM 694 CD2 LEU A 42 -5.335 0.113 4.247 1.00 2.22 C ATOM 0 H LEU A 42 -6.174 -3.414 3.012 1.00 1.10 H new ATOM 0 HA LEU A 42 -7.562 -1.621 4.902 1.00 1.14 H new ATOM 0 HB2 LEU A 42 -6.398 -1.487 2.191 1.00 1.47 H new ATOM 0 HB3 LEU A 42 -8.030 -0.853 2.261 1.00 1.47 H new ATOM 0 HG LEU A 42 -6.309 0.859 2.519 1.00 1.30 H new ATOM 0 HD11 LEU A 42 -7.271 1.992 4.519 1.00 2.59 H new ATOM 0 HD12 LEU A 42 -8.520 1.259 3.484 1.00 2.59 H new ATOM 0 HD13 LEU A 42 -8.035 0.457 4.997 1.00 2.59 H new ATOM 0 HD21 LEU A 42 -5.002 1.091 4.594 1.00 2.22 H new ATOM 0 HD22 LEU A 42 -5.555 -0.521 5.106 1.00 2.22 H new ATOM 0 HD23 LEU A 42 -4.549 -0.347 3.648 1.00 2.22 H new ATOM 706 N CYS A 43 -9.935 -1.974 3.898 1.00 1.38 N ATOM 707 CA CYS A 43 -11.326 -2.315 3.582 1.00 1.62 C ATOM 708 C CYS A 43 -11.936 -1.246 2.665 1.00 1.88 C ATOM 709 O CYS A 43 -12.024 -1.476 1.467 1.00 2.80 O ATOM 710 CB CYS A 43 -12.104 -2.557 4.884 1.00 2.14 C ATOM 711 SG CYS A 43 -13.798 -3.077 4.500 1.00 2.91 S ATOM 0 H CYS A 43 -9.848 -1.070 4.363 1.00 1.38 H new ATOM 0 HA CYS A 43 -11.380 -3.247 3.019 1.00 1.62 H new ATOM 0 HB2 CYS A 43 -11.605 -3.322 5.480 1.00 2.14 H new ATOM 0 HB3 CYS A 43 -12.120 -1.647 5.483 1.00 2.14 H new ATOM 0 HG CYS A 43 -14.450 -3.282 5.606 1.00 2.91 H new ATOM 717 N LEU A 44 -12.231 -0.031 3.156 1.00 2.50 N ATOM 718 CA LEU A 44 -12.729 1.086 2.329 1.00 2.89 C ATOM 719 C LEU A 44 -11.738 1.658 1.288 1.00 3.30 C ATOM 720 O LEU A 44 -11.995 2.708 0.699 1.00 4.16 O ATOM 721 CB LEU A 44 -13.291 2.179 3.264 1.00 4.63 C ATOM 722 CG LEU A 44 -12.322 2.836 4.275 1.00 4.75 C ATOM 723 CD1 LEU A 44 -11.054 3.493 3.705 1.00 4.57 C ATOM 724 CD2 LEU A 44 -13.086 3.836 5.153 1.00 6.15 C ATOM 0 H LEU A 44 -12.131 0.207 4.143 1.00 2.50 H new ATOM 0 HA LEU A 44 -13.516 0.674 1.697 1.00 2.89 H new ATOM 0 HB2 LEU A 44 -13.710 2.969 2.641 1.00 4.63 H new ATOM 0 HB3 LEU A 44 -14.117 1.745 3.827 1.00 4.63 H new ATOM 0 HG LEU A 44 -11.938 1.997 4.855 1.00 4.75 H new ATOM 0 HD11 LEU A 44 -10.465 3.914 4.520 1.00 4.57 H new ATOM 0 HD12 LEU A 44 -10.462 2.745 3.178 1.00 4.57 H new ATOM 0 HD13 LEU A 44 -11.335 4.287 3.013 1.00 4.57 H new ATOM 0 HD21 LEU A 44 -12.399 4.296 5.863 1.00 6.15 H new ATOM 0 HD22 LEU A 44 -13.528 4.609 4.524 1.00 6.15 H new ATOM 0 HD23 LEU A 44 -13.874 3.315 5.696 1.00 6.15 H new ATOM 736 N GLY A 45 -10.588 1.014 1.084 1.00 3.97 N ATOM 737 CA GLY A 45 -9.344 1.562 0.513 1.00 6.02 C ATOM 738 C GLY A 45 -9.331 1.825 -0.997 1.00 6.25 C ATOM 739 O GLY A 45 -8.277 1.680 -1.612 1.00 7.58 O ATOM 0 H GLY A 45 -10.488 0.029 1.328 1.00 3.97 H new ATOM 0 HA2 GLY A 45 -9.121 2.499 1.023 1.00 6.02 H new ATOM 0 HA3 GLY A 45 -8.532 0.873 0.744 1.00 6.02 H new ATOM 742 N GLU A 46 -10.465 2.218 -1.579 1.00 5.46 N ATOM 743 CA GLU A 46 -10.638 2.438 -3.020 1.00 6.36 C ATOM 744 C GLU A 46 -11.801 3.381 -3.394 1.00 5.50 C ATOM 745 O GLU A 46 -12.163 3.458 -4.562 1.00 6.43 O ATOM 746 CB GLU A 46 -10.784 1.069 -3.708 1.00 7.25 C ATOM 747 CG GLU A 46 -12.103 0.350 -3.377 1.00 6.43 C ATOM 748 CD GLU A 46 -12.048 -1.081 -3.889 1.00 6.80 C ATOM 749 OE1 GLU A 46 -11.821 -1.307 -5.098 1.00 8.04 O ATOM 750 OE2 GLU A 46 -12.132 -2.016 -3.064 1.00 6.31 O ATOM 0 H GLU A 46 -11.316 2.398 -1.046 1.00 5.46 H new ATOM 0 HA GLU A 46 -9.749 2.959 -3.376 1.00 6.36 H new ATOM 0 HB2 GLU A 46 -10.715 1.205 -4.787 1.00 7.25 H new ATOM 0 HB3 GLU A 46 -9.949 0.433 -3.413 1.00 7.25 H new ATOM 0 HG2 GLU A 46 -12.271 0.355 -2.300 1.00 6.43 H new ATOM 0 HG3 GLU A 46 -12.941 0.878 -3.833 1.00 6.43 H new ATOM 757 N MET A 47 -12.420 4.099 -2.443 1.00 4.03 N ATOM 758 CA MET A 47 -13.734 4.767 -2.621 1.00 3.23 C ATOM 759 C MET A 47 -13.848 5.912 -3.656 1.00 3.02 C ATOM 760 O MET A 47 -14.921 6.495 -3.808 1.00 3.19 O ATOM 761 CB MET A 47 -14.236 5.246 -1.255 1.00 3.05 C ATOM 762 CG MET A 47 -13.426 6.422 -0.699 1.00 4.10 C ATOM 763 SD MET A 47 -13.915 6.989 0.952 1.00 3.79 S ATOM 764 CE MET A 47 -13.443 5.553 1.949 1.00 2.84 C ATOM 0 H MET A 47 -12.022 4.238 -1.514 1.00 4.03 H new ATOM 0 HA MET A 47 -14.358 3.990 -3.063 1.00 3.23 H new ATOM 0 HB2 MET A 47 -15.282 5.541 -1.341 1.00 3.05 H new ATOM 0 HB3 MET A 47 -14.196 4.417 -0.548 1.00 3.05 H new ATOM 0 HG2 MET A 47 -12.375 6.136 -0.670 1.00 4.10 H new ATOM 0 HG3 MET A 47 -13.510 7.259 -1.392 1.00 4.10 H new ATOM 0 HE1 MET A 47 -14.336 5.101 2.382 1.00 2.84 H new ATOM 0 HE2 MET A 47 -12.936 4.823 1.318 1.00 2.84 H new ATOM 0 HE3 MET A 47 -12.773 5.869 2.748 1.00 2.84 H new ATOM 774 N LYS A 48 -12.759 6.294 -4.316 1.00 3.26 N ATOM 775 CA LYS A 48 -12.708 7.391 -5.291 1.00 3.33 C ATOM 776 C LYS A 48 -12.919 6.932 -6.745 1.00 3.78 C ATOM 777 O LYS A 48 -12.332 5.955 -7.194 1.00 4.25 O ATOM 778 CB LYS A 48 -11.357 8.114 -5.161 1.00 3.76 C ATOM 779 CG LYS A 48 -11.224 8.977 -3.899 1.00 3.76 C ATOM 780 CD LYS A 48 -12.084 10.255 -3.862 1.00 4.85 C ATOM 781 CE LYS A 48 -11.550 11.350 -4.792 1.00 6.26 C ATOM 782 NZ LYS A 48 -10.569 12.244 -4.121 1.00 6.96 N ATOM 0 H LYS A 48 -11.856 5.837 -4.187 1.00 3.26 H new ATOM 0 HA LYS A 48 -13.535 8.064 -5.062 1.00 3.33 H new ATOM 0 HB2 LYS A 48 -10.559 7.372 -5.166 1.00 3.76 H new ATOM 0 HB3 LYS A 48 -11.210 8.746 -6.037 1.00 3.76 H new ATOM 0 HG2 LYS A 48 -11.481 8.364 -3.035 1.00 3.76 H new ATOM 0 HG3 LYS A 48 -10.178 9.263 -3.787 1.00 3.76 H new ATOM 0 HD2 LYS A 48 -13.107 10.009 -4.146 1.00 4.85 H new ATOM 0 HD3 LYS A 48 -12.120 10.636 -2.841 1.00 4.85 H new ATOM 0 HE2 LYS A 48 -11.079 10.887 -5.659 1.00 6.26 H new ATOM 0 HE3 LYS A 48 -12.384 11.946 -5.162 1.00 6.26 H new ATOM 0 HZ1 LYS A 48 -10.665 13.209 -4.496 1.00 6.96 H new ATOM 0 HZ2 LYS A 48 -10.750 12.251 -3.097 1.00 6.96 H new ATOM 0 HZ3 LYS A 48 -9.605 11.898 -4.300 1.00 6.96 H new ATOM 796 N GLU A 49 -13.681 7.710 -7.513 1.00 4.10 N ATOM 797 CA GLU A 49 -13.765 7.565 -8.969 1.00 4.67 C ATOM 798 C GLU A 49 -12.423 7.937 -9.622 1.00 4.53 C ATOM 799 O GLU A 49 -11.898 9.022 -9.385 1.00 5.76 O ATOM 800 CB GLU A 49 -14.884 8.460 -9.521 1.00 5.58 C ATOM 801 CG GLU A 49 -16.274 8.041 -9.028 1.00 5.51 C ATOM 802 CD GLU A 49 -17.306 9.082 -9.444 1.00 6.69 C ATOM 803 OE1 GLU A 49 -17.331 10.134 -8.773 1.00 7.46 O ATOM 804 OE2 GLU A 49 -18.017 8.824 -10.439 1.00 7.36 O ATOM 0 H GLU A 49 -14.261 8.463 -7.142 1.00 4.10 H new ATOM 0 HA GLU A 49 -13.991 6.525 -9.205 1.00 4.67 H new ATOM 0 HB2 GLU A 49 -14.695 9.493 -9.228 1.00 5.58 H new ATOM 0 HB3 GLU A 49 -14.865 8.429 -10.610 1.00 5.58 H new ATOM 0 HG2 GLU A 49 -16.538 7.068 -9.442 1.00 5.51 H new ATOM 0 HG3 GLU A 49 -16.268 7.935 -7.943 1.00 5.51 H new ATOM 811 N SER A 50 -11.889 7.065 -10.480 1.00 3.56 N ATOM 812 CA SER A 50 -10.661 7.236 -11.271 1.00 3.53 C ATOM 813 C SER A 50 -9.365 7.046 -10.456 1.00 2.74 C ATOM 814 O SER A 50 -9.328 7.230 -9.243 1.00 2.87 O ATOM 815 CB SER A 50 -10.595 8.592 -11.984 1.00 4.29 C ATOM 816 OG SER A 50 -11.850 9.097 -12.389 1.00 4.79 O ATOM 0 H SER A 50 -12.329 6.161 -10.654 1.00 3.56 H new ATOM 0 HA SER A 50 -10.720 6.440 -12.013 1.00 3.53 H new ATOM 0 HB2 SER A 50 -10.122 9.316 -11.320 1.00 4.29 H new ATOM 0 HB3 SER A 50 -9.954 8.498 -12.861 1.00 4.29 H new ATOM 0 HG SER A 50 -11.727 9.962 -12.833 1.00 4.79 H new ATOM 822 N SER A 51 -8.264 6.685 -11.122 1.00 2.87 N ATOM 823 CA SER A 51 -6.911 6.473 -10.554 1.00 2.56 C ATOM 824 C SER A 51 -6.796 5.238 -9.645 1.00 1.97 C ATOM 825 O SER A 51 -5.819 4.513 -9.778 1.00 2.13 O ATOM 826 CB SER A 51 -6.324 7.744 -9.898 1.00 3.12 C ATOM 827 OG SER A 51 -6.949 8.139 -8.689 1.00 3.02 O ATOM 0 H SER A 51 -8.284 6.521 -12.129 1.00 2.87 H new ATOM 0 HA SER A 51 -6.285 6.252 -11.418 1.00 2.56 H new ATOM 0 HB2 SER A 51 -5.264 7.578 -9.704 1.00 3.12 H new ATOM 0 HB3 SER A 51 -6.392 8.566 -10.610 1.00 3.12 H new ATOM 0 HG SER A 51 -7.860 7.778 -8.658 1.00 3.02 H new ATOM 833 N ILE A 52 -7.802 4.907 -8.822 1.00 1.78 N ATOM 834 CA ILE A 52 -7.851 3.624 -8.094 1.00 1.64 C ATOM 835 C ILE A 52 -7.839 2.440 -9.062 1.00 1.53 C ATOM 836 O ILE A 52 -7.186 1.436 -8.795 1.00 1.54 O ATOM 837 CB ILE A 52 -9.034 3.565 -7.086 1.00 2.24 C ATOM 838 CG1 ILE A 52 -10.445 3.378 -7.695 1.00 3.29 C ATOM 839 CG2 ILE A 52 -9.039 4.836 -6.213 1.00 2.37 C ATOM 840 CD1 ILE A 52 -10.877 1.924 -7.948 1.00 3.66 C ATOM 0 H ILE A 52 -8.601 5.515 -8.641 1.00 1.78 H new ATOM 0 HA ILE A 52 -6.945 3.552 -7.492 1.00 1.64 H new ATOM 0 HB ILE A 52 -8.846 2.661 -6.507 1.00 2.24 H new ATOM 0 HG12 ILE A 52 -11.172 3.843 -7.029 1.00 3.29 H new ATOM 0 HG13 ILE A 52 -10.487 3.919 -8.640 1.00 3.29 H new ATOM 0 HG21 ILE A 52 -9.869 4.790 -5.508 1.00 2.37 H new ATOM 0 HG22 ILE A 52 -8.100 4.904 -5.663 1.00 2.37 H new ATOM 0 HG23 ILE A 52 -9.151 5.714 -6.849 1.00 2.37 H new ATOM 0 HD11 ILE A 52 -11.880 1.911 -8.375 1.00 3.66 H new ATOM 0 HD12 ILE A 52 -10.181 1.453 -8.642 1.00 3.66 H new ATOM 0 HD13 ILE A 52 -10.877 1.375 -7.006 1.00 3.66 H new ATOM 852 N ASP A 53 -8.514 2.599 -10.205 1.00 1.69 N ATOM 853 CA ASP A 53 -8.615 1.604 -11.275 1.00 1.83 C ATOM 854 C ASP A 53 -7.361 1.577 -12.161 1.00 1.55 C ATOM 855 O ASP A 53 -6.970 0.516 -12.644 1.00 1.64 O ATOM 856 CB ASP A 53 -9.870 1.907 -12.108 1.00 2.42 C ATOM 857 CG ASP A 53 -10.212 0.785 -13.100 1.00 3.29 C ATOM 858 OD1 ASP A 53 -10.195 -0.395 -12.671 1.00 3.20 O ATOM 859 OD2 ASP A 53 -10.540 1.131 -14.259 1.00 4.56 O ATOM 0 H ASP A 53 -9.024 3.457 -10.417 1.00 1.69 H new ATOM 0 HA ASP A 53 -8.694 0.614 -10.827 1.00 1.83 H new ATOM 0 HB2 ASP A 53 -10.716 2.064 -11.438 1.00 2.42 H new ATOM 0 HB3 ASP A 53 -9.721 2.837 -12.656 1.00 2.42 H new ATOM 864 N ASP A 54 -6.669 2.717 -12.303 1.00 1.38 N ATOM 865 CA ASP A 54 -5.339 2.729 -12.918 1.00 1.31 C ATOM 866 C ASP A 54 -4.377 1.917 -12.057 1.00 0.99 C ATOM 867 O ASP A 54 -3.693 1.061 -12.587 1.00 1.06 O ATOM 868 CB ASP A 54 -4.791 4.149 -13.121 1.00 1.73 C ATOM 869 CG ASP A 54 -3.395 4.106 -13.770 1.00 2.16 C ATOM 870 OD1 ASP A 54 -2.408 3.855 -13.036 1.00 3.29 O ATOM 871 OD2 ASP A 54 -3.325 4.301 -15.002 1.00 2.45 O ATOM 0 H ASP A 54 -7.006 3.632 -12.003 1.00 1.38 H new ATOM 0 HA ASP A 54 -5.432 2.283 -13.908 1.00 1.31 H new ATOM 0 HB2 ASP A 54 -5.473 4.721 -13.751 1.00 1.73 H new ATOM 0 HB3 ASP A 54 -4.736 4.664 -12.162 1.00 1.73 H new ATOM 876 N LEU A 55 -4.335 2.156 -10.745 1.00 0.94 N ATOM 877 CA LEU A 55 -3.368 1.559 -9.820 1.00 1.01 C ATOM 878 C LEU A 55 -3.678 0.085 -9.530 1.00 1.16 C ATOM 879 O LEU A 55 -2.765 -0.731 -9.397 1.00 1.46 O ATOM 880 CB LEU A 55 -3.302 2.444 -8.562 1.00 0.91 C ATOM 881 CG LEU A 55 -2.819 3.871 -8.872 1.00 1.12 C ATOM 882 CD1 LEU A 55 -3.024 4.775 -7.650 1.00 1.21 C ATOM 883 CD2 LEU A 55 -1.343 3.903 -9.302 1.00 1.57 C ATOM 0 H LEU A 55 -4.990 2.787 -10.283 1.00 0.94 H new ATOM 0 HA LEU A 55 -2.377 1.533 -10.274 1.00 1.01 H new ATOM 0 HB2 LEU A 55 -4.289 2.490 -8.101 1.00 0.91 H new ATOM 0 HB3 LEU A 55 -2.631 1.987 -7.834 1.00 0.91 H new ATOM 0 HG LEU A 55 -3.414 4.240 -9.707 1.00 1.12 H new ATOM 0 HD11 LEU A 55 -2.679 5.783 -7.881 1.00 1.21 H new ATOM 0 HD12 LEU A 55 -4.083 4.804 -7.393 1.00 1.21 H new ATOM 0 HD13 LEU A 55 -2.456 4.381 -6.807 1.00 1.21 H new ATOM 0 HD21 LEU A 55 -1.047 4.931 -9.510 1.00 1.57 H new ATOM 0 HD22 LEU A 55 -0.722 3.502 -8.501 1.00 1.57 H new ATOM 0 HD23 LEU A 55 -1.212 3.299 -10.200 1.00 1.57 H new ATOM 895 N MET A 56 -4.956 -0.280 -9.529 1.00 1.23 N ATOM 896 CA MET A 56 -5.379 -1.686 -9.650 1.00 1.57 C ATOM 897 C MET A 56 -4.795 -2.318 -10.924 1.00 1.36 C ATOM 898 O MET A 56 -4.127 -3.357 -10.861 1.00 1.47 O ATOM 899 CB MET A 56 -6.914 -1.781 -9.663 1.00 1.93 C ATOM 900 CG MET A 56 -7.554 -1.671 -8.275 1.00 2.19 C ATOM 901 SD MET A 56 -7.608 -3.218 -7.333 1.00 2.90 S ATOM 902 CE MET A 56 -6.330 -2.873 -6.111 1.00 1.93 C ATOM 0 H MET A 56 -5.729 0.380 -9.445 1.00 1.23 H new ATOM 0 HA MET A 56 -5.001 -2.236 -8.788 1.00 1.57 H new ATOM 0 HB2 MET A 56 -7.312 -0.991 -10.300 1.00 1.93 H new ATOM 0 HB3 MET A 56 -7.206 -2.730 -10.113 1.00 1.93 H new ATOM 0 HG2 MET A 56 -7.004 -0.929 -7.696 1.00 2.19 H new ATOM 0 HG3 MET A 56 -8.571 -1.297 -8.389 1.00 2.19 H new ATOM 0 HE1 MET A 56 -6.051 -3.797 -5.605 1.00 1.93 H new ATOM 0 HE2 MET A 56 -5.455 -2.453 -6.608 1.00 1.93 H new ATOM 0 HE3 MET A 56 -6.709 -2.159 -5.380 1.00 1.93 H new ATOM 912 N LYS A 57 -5.023 -1.700 -12.086 1.00 1.21 N ATOM 913 CA LYS A 57 -4.703 -2.312 -13.376 1.00 1.30 C ATOM 914 C LYS A 57 -3.221 -2.235 -13.771 1.00 1.35 C ATOM 915 O LYS A 57 -2.703 -3.099 -14.474 1.00 1.52 O ATOM 916 CB LYS A 57 -5.613 -1.679 -14.451 1.00 1.43 C ATOM 917 CG LYS A 57 -5.569 -2.380 -15.821 1.00 1.92 C ATOM 918 CD LYS A 57 -5.770 -3.888 -15.644 1.00 2.84 C ATOM 919 CE LYS A 57 -5.939 -4.643 -16.962 1.00 4.09 C ATOM 920 NZ LYS A 57 -6.181 -6.080 -16.689 1.00 5.42 N ATOM 0 H LYS A 57 -5.432 -0.768 -12.158 1.00 1.21 H new ATOM 0 HA LYS A 57 -4.894 -3.382 -13.289 1.00 1.30 H new ATOM 0 HB2 LYS A 57 -6.641 -1.684 -14.088 1.00 1.43 H new ATOM 0 HB3 LYS A 57 -5.327 -0.635 -14.582 1.00 1.43 H new ATOM 0 HG2 LYS A 57 -6.345 -1.975 -16.471 1.00 1.92 H new ATOM 0 HG3 LYS A 57 -4.613 -2.187 -16.307 1.00 1.92 H new ATOM 0 HD2 LYS A 57 -4.915 -4.299 -15.107 1.00 2.84 H new ATOM 0 HD3 LYS A 57 -6.649 -4.058 -15.022 1.00 2.84 H new ATOM 0 HE2 LYS A 57 -6.772 -4.225 -17.527 1.00 4.09 H new ATOM 0 HE3 LYS A 57 -5.046 -4.525 -17.576 1.00 4.09 H new ATOM 0 HZ1 LYS A 57 -5.648 -6.657 -17.370 1.00 5.42 H new ATOM 0 HZ2 LYS A 57 -5.869 -6.307 -15.723 1.00 5.42 H new ATOM 0 HZ3 LYS A 57 -7.196 -6.285 -16.782 1.00 5.42 H new ATOM 934 N SER A 58 -2.513 -1.214 -13.333 1.00 1.31 N ATOM 935 CA SER A 58 -1.123 -0.924 -13.694 1.00 1.46 C ATOM 936 C SER A 58 -0.114 -1.843 -13.000 1.00 1.45 C ATOM 937 O SER A 58 0.897 -2.190 -13.616 1.00 1.72 O ATOM 938 CB SER A 58 -0.786 0.568 -13.517 1.00 1.54 C ATOM 939 OG SER A 58 -0.850 1.012 -12.178 1.00 2.23 O ATOM 0 H SER A 58 -2.900 -0.527 -12.686 1.00 1.31 H new ATOM 0 HA SER A 58 -1.031 -1.147 -14.757 1.00 1.46 H new ATOM 0 HB2 SER A 58 0.216 0.753 -13.904 1.00 1.54 H new ATOM 0 HB3 SER A 58 -1.474 1.160 -14.120 1.00 1.54 H new ATOM 0 HG SER A 58 -0.624 1.965 -12.138 1.00 2.23 H new ATOM 945 N LEU A 59 -0.427 -2.340 -11.796 1.00 1.24 N ATOM 946 CA LEU A 59 0.276 -3.474 -11.187 1.00 1.27 C ATOM 947 C LEU A 59 0.027 -4.781 -11.949 1.00 1.32 C ATOM 948 O LEU A 59 0.966 -5.529 -12.228 1.00 1.41 O ATOM 949 CB LEU A 59 -0.186 -3.620 -9.725 1.00 1.23 C ATOM 950 CG LEU A 59 0.157 -2.440 -8.800 1.00 1.22 C ATOM 951 CD1 LEU A 59 -0.317 -2.789 -7.384 1.00 1.26 C ATOM 952 CD2 LEU A 59 1.653 -2.099 -8.798 1.00 1.37 C ATOM 0 H LEU A 59 -1.178 -1.965 -11.216 1.00 1.24 H new ATOM 0 HA LEU A 59 1.347 -3.276 -11.229 1.00 1.27 H new ATOM 0 HB2 LEU A 59 -1.267 -3.763 -9.717 1.00 1.23 H new ATOM 0 HB3 LEU A 59 0.259 -4.525 -9.311 1.00 1.23 H new ATOM 0 HG LEU A 59 -0.353 -1.551 -9.172 1.00 1.22 H new ATOM 0 HD11 LEU A 59 -0.084 -1.965 -6.709 1.00 1.26 H new ATOM 0 HD12 LEU A 59 -1.394 -2.958 -7.392 1.00 1.26 H new ATOM 0 HD13 LEU A 59 0.189 -3.692 -7.043 1.00 1.26 H new ATOM 0 HD21 LEU A 59 1.834 -1.259 -8.127 1.00 1.37 H new ATOM 0 HD22 LEU A 59 2.223 -2.964 -8.458 1.00 1.37 H new ATOM 0 HD23 LEU A 59 1.967 -1.832 -9.807 1.00 1.37 H new ATOM 964 N ASP A 60 -1.231 -5.024 -12.314 1.00 1.34 N ATOM 965 CA ASP A 60 -1.709 -6.211 -13.033 1.00 1.45 C ATOM 966 C ASP A 60 -1.081 -6.375 -14.439 1.00 1.52 C ATOM 967 O ASP A 60 -1.031 -7.491 -14.948 1.00 1.72 O ATOM 968 CB ASP A 60 -3.248 -6.119 -13.037 1.00 1.54 C ATOM 969 CG ASP A 60 -3.985 -7.313 -13.639 1.00 2.19 C ATOM 970 OD1 ASP A 60 -3.892 -8.408 -13.040 1.00 2.58 O ATOM 971 OD2 ASP A 60 -4.702 -7.117 -14.650 1.00 3.40 O ATOM 0 H ASP A 60 -1.984 -4.368 -12.108 1.00 1.34 H new ATOM 0 HA ASP A 60 -1.389 -7.123 -12.530 1.00 1.45 H new ATOM 0 HB2 ASP A 60 -3.588 -5.987 -12.010 1.00 1.54 H new ATOM 0 HB3 ASP A 60 -3.538 -5.223 -13.586 1.00 1.54 H new ATOM 976 N LYS A 61 -0.529 -5.306 -15.035 1.00 1.52 N ATOM 977 CA LYS A 61 0.257 -5.356 -16.284 1.00 1.69 C ATOM 978 C LYS A 61 1.591 -6.119 -16.182 1.00 1.58 C ATOM 979 O LYS A 61 1.926 -6.897 -17.072 1.00 1.99 O ATOM 980 CB LYS A 61 0.590 -3.946 -16.757 1.00 1.88 C ATOM 981 CG LYS A 61 -0.623 -3.119 -17.211 1.00 2.46 C ATOM 982 CD LYS A 61 -0.191 -1.859 -17.975 1.00 2.01 C ATOM 983 CE LYS A 61 1.042 -1.251 -17.298 1.00 2.74 C ATOM 984 NZ LYS A 61 1.471 0.029 -17.915 1.00 3.74 N ATOM 0 H LYS A 61 -0.617 -4.363 -14.657 1.00 1.52 H new ATOM 0 HA LYS A 61 -0.384 -5.894 -16.982 1.00 1.69 H new ATOM 0 HB2 LYS A 61 1.093 -3.415 -15.948 1.00 1.88 H new ATOM 0 HB3 LYS A 61 1.298 -4.012 -17.583 1.00 1.88 H new ATOM 0 HG2 LYS A 61 -1.264 -3.730 -17.847 1.00 2.46 H new ATOM 0 HG3 LYS A 61 -1.216 -2.834 -16.342 1.00 2.46 H new ATOM 0 HD2 LYS A 61 0.036 -2.109 -19.012 1.00 2.01 H new ATOM 0 HD3 LYS A 61 -1.005 -1.134 -17.992 1.00 2.01 H new ATOM 0 HE2 LYS A 61 0.825 -1.085 -16.243 1.00 2.74 H new ATOM 0 HE3 LYS A 61 1.865 -1.965 -17.346 1.00 2.74 H new ATOM 0 HZ1 LYS A 61 2.308 0.392 -17.416 1.00 3.74 H new ATOM 0 HZ2 LYS A 61 1.707 -0.130 -18.915 1.00 3.74 H new ATOM 0 HZ3 LYS A 61 0.699 0.723 -17.847 1.00 3.74 H new ATOM 998 N ASN A 62 2.393 -5.784 -15.166 1.00 1.24 N ATOM 999 CA ASN A 62 3.815 -6.165 -15.049 1.00 1.35 C ATOM 1000 C ASN A 62 4.040 -7.277 -14.015 1.00 1.38 C ATOM 1001 O ASN A 62 4.963 -8.078 -14.116 1.00 2.18 O ATOM 1002 CB ASN A 62 4.616 -4.908 -14.677 1.00 1.72 C ATOM 1003 CG ASN A 62 5.065 -4.176 -15.927 1.00 1.89 C ATOM 1004 OD1 ASN A 62 4.322 -3.394 -16.512 1.00 2.45 O ATOM 1005 ND2 ASN A 62 6.284 -4.434 -16.356 1.00 2.42 N ATOM 0 H ASN A 62 2.067 -5.225 -14.378 1.00 1.24 H new ATOM 0 HA ASN A 62 4.152 -6.567 -16.005 1.00 1.35 H new ATOM 0 HB2 ASN A 62 4.004 -4.248 -14.062 1.00 1.72 H new ATOM 0 HB3 ASN A 62 5.484 -5.186 -14.080 1.00 1.72 H new ATOM 0 HD21 ASN A 62 6.635 -3.978 -17.198 1.00 2.42 H new ATOM 0 HD22 ASN A 62 6.876 -5.090 -15.846 1.00 2.42 H new ATOM 1012 N SER A 63 3.143 -7.335 -13.037 1.00 1.12 N ATOM 1013 CA SER A 63 2.561 -8.570 -12.513 1.00 1.17 C ATOM 1014 C SER A 63 3.450 -9.350 -11.550 1.00 1.04 C ATOM 1015 O SER A 63 3.202 -9.357 -10.345 1.00 1.24 O ATOM 1016 CB SER A 63 2.115 -9.466 -13.674 1.00 1.78 C ATOM 1017 OG SER A 63 1.305 -10.523 -13.213 1.00 2.27 O ATOM 0 H SER A 63 2.789 -6.500 -12.571 1.00 1.12 H new ATOM 0 HA SER A 63 1.706 -8.258 -11.913 1.00 1.17 H new ATOM 0 HB2 SER A 63 1.565 -8.873 -14.405 1.00 1.78 H new ATOM 0 HB3 SER A 63 2.990 -9.869 -14.184 1.00 1.78 H new ATOM 0 HG SER A 63 1.691 -10.897 -12.394 1.00 2.27 H new ATOM 1023 N ASP A 64 4.469 -10.014 -12.081 1.00 1.00 N ATOM 1024 CA ASP A 64 5.145 -11.153 -11.448 1.00 1.15 C ATOM 1025 C ASP A 64 6.642 -10.865 -11.310 1.00 1.07 C ATOM 1026 O ASP A 64 7.402 -11.642 -10.739 1.00 1.63 O ATOM 1027 CB ASP A 64 4.880 -12.428 -12.269 1.00 1.58 C ATOM 1028 CG ASP A 64 3.388 -12.742 -12.461 1.00 2.31 C ATOM 1029 OD1 ASP A 64 2.555 -12.275 -11.647 1.00 3.11 O ATOM 1030 OD2 ASP A 64 3.049 -13.363 -13.488 1.00 3.08 O ATOM 0 H ASP A 64 4.864 -9.773 -12.990 1.00 1.00 H new ATOM 0 HA ASP A 64 4.749 -11.309 -10.445 1.00 1.15 H new ATOM 0 HB2 ASP A 64 5.349 -12.323 -13.247 1.00 1.58 H new ATOM 0 HB3 ASP A 64 5.359 -13.273 -11.775 1.00 1.58 H new ATOM 1035 N GLN A 65 7.046 -9.694 -11.806 1.00 1.06 N ATOM 1036 CA GLN A 65 8.267 -9.027 -11.411 1.00 1.01 C ATOM 1037 C GLN A 65 8.195 -8.666 -9.927 1.00 0.89 C ATOM 1038 O GLN A 65 7.115 -8.348 -9.410 1.00 0.87 O ATOM 1039 CB GLN A 65 8.393 -7.740 -12.231 1.00 1.14 C ATOM 1040 CG GLN A 65 8.728 -7.989 -13.717 1.00 1.92 C ATOM 1041 CD GLN A 65 8.880 -6.696 -14.526 1.00 2.22 C ATOM 1042 OE1 GLN A 65 8.041 -5.803 -14.494 1.00 2.38 O ATOM 1043 NE2 GLN A 65 9.944 -6.521 -15.286 1.00 3.18 N ATOM 0 H GLN A 65 6.515 -9.180 -12.509 1.00 1.06 H new ATOM 0 HA GLN A 65 9.124 -9.679 -11.582 1.00 1.01 H new ATOM 0 HB2 GLN A 65 7.458 -7.184 -12.166 1.00 1.14 H new ATOM 0 HB3 GLN A 65 9.169 -7.113 -11.792 1.00 1.14 H new ATOM 0 HG2 GLN A 65 9.653 -8.562 -13.783 1.00 1.92 H new ATOM 0 HG3 GLN A 65 7.942 -8.599 -14.163 1.00 1.92 H new ATOM 0 HE21 GLN A 65 10.661 -7.245 -15.335 1.00 3.18 H new ATOM 0 HE22 GLN A 65 10.050 -5.662 -15.825 1.00 3.18 H new ATOM 1052 N GLU A 66 9.350 -8.669 -9.258 1.00 0.90 N ATOM 1053 CA GLU A 66 9.391 -8.267 -7.865 1.00 0.86 C ATOM 1054 C GLU A 66 9.426 -6.743 -7.697 1.00 0.87 C ATOM 1055 O GLU A 66 9.898 -5.984 -8.544 1.00 0.96 O ATOM 1056 CB GLU A 66 10.533 -8.953 -7.095 1.00 0.96 C ATOM 1057 CG GLU A 66 10.317 -10.466 -6.940 1.00 1.14 C ATOM 1058 CD GLU A 66 11.532 -11.125 -6.294 1.00 1.55 C ATOM 1059 OE1 GLU A 66 11.581 -11.164 -5.041 1.00 2.40 O ATOM 1060 OE2 GLU A 66 12.420 -11.547 -7.065 1.00 2.31 O ATOM 0 H GLU A 66 10.249 -8.941 -9.655 1.00 0.90 H new ATOM 0 HA GLU A 66 8.457 -8.610 -7.421 1.00 0.86 H new ATOM 0 HB2 GLU A 66 11.474 -8.776 -7.615 1.00 0.96 H new ATOM 0 HB3 GLU A 66 10.624 -8.500 -6.108 1.00 0.96 H new ATOM 0 HG2 GLU A 66 9.432 -10.651 -6.332 1.00 1.14 H new ATOM 0 HG3 GLU A 66 10.132 -10.913 -7.917 1.00 1.14 H new ATOM 1067 N ILE A 67 8.910 -6.323 -6.549 1.00 0.83 N ATOM 1068 CA ILE A 67 8.910 -4.969 -5.991 1.00 0.83 C ATOM 1069 C ILE A 67 9.374 -5.015 -4.539 1.00 0.83 C ATOM 1070 O ILE A 67 9.072 -5.969 -3.824 1.00 0.88 O ATOM 1071 CB ILE A 67 7.497 -4.343 -6.008 1.00 0.88 C ATOM 1072 CG1 ILE A 67 6.368 -5.381 -5.872 1.00 1.41 C ATOM 1073 CG2 ILE A 67 7.269 -3.505 -7.258 1.00 1.77 C ATOM 1074 CD1 ILE A 67 4.974 -4.780 -5.790 1.00 1.60 C ATOM 0 H ILE A 67 8.437 -6.978 -5.926 1.00 0.83 H new ATOM 0 HA ILE A 67 9.579 -4.366 -6.605 1.00 0.83 H new ATOM 0 HB ILE A 67 7.459 -3.699 -5.129 1.00 0.88 H new ATOM 0 HG12 ILE A 67 6.409 -6.059 -6.724 1.00 1.41 H new ATOM 0 HG13 ILE A 67 6.546 -5.980 -4.979 1.00 1.41 H new ATOM 0 HG21 ILE A 67 6.265 -3.082 -7.234 1.00 1.77 H new ATOM 0 HG22 ILE A 67 8.002 -2.699 -7.294 1.00 1.77 H new ATOM 0 HG23 ILE A 67 7.377 -4.134 -8.142 1.00 1.77 H new ATOM 0 HD11 ILE A 67 4.238 -5.579 -5.696 1.00 1.60 H new ATOM 0 HD12 ILE A 67 4.911 -4.124 -4.922 1.00 1.60 H new ATOM 0 HD13 ILE A 67 4.772 -4.205 -6.694 1.00 1.60 H new ATOM 1086 N ASP A 68 10.039 -3.954 -4.081 1.00 0.87 N ATOM 1087 CA ASP A 68 10.430 -3.768 -2.681 1.00 0.97 C ATOM 1088 C ASP A 68 9.492 -2.822 -1.899 1.00 0.88 C ATOM 1089 O ASP A 68 8.572 -2.196 -2.442 1.00 1.07 O ATOM 1090 CB ASP A 68 11.892 -3.283 -2.638 1.00 1.24 C ATOM 1091 CG ASP A 68 12.040 -1.815 -3.037 1.00 1.20 C ATOM 1092 OD1 ASP A 68 12.012 -1.495 -4.248 1.00 2.36 O ATOM 1093 OD2 ASP A 68 12.184 -0.958 -2.136 1.00 1.79 O ATOM 0 H ASP A 68 10.327 -3.184 -4.684 1.00 0.87 H new ATOM 0 HA ASP A 68 10.340 -4.729 -2.175 1.00 0.97 H new ATOM 0 HB2 ASP A 68 12.287 -3.423 -1.632 1.00 1.24 H new ATOM 0 HB3 ASP A 68 12.494 -3.899 -3.306 1.00 1.24 H new ATOM 1098 N PHE A 69 9.798 -2.670 -0.605 1.00 0.80 N ATOM 1099 CA PHE A 69 9.077 -1.870 0.390 1.00 0.79 C ATOM 1100 C PHE A 69 8.758 -0.423 -0.053 1.00 0.78 C ATOM 1101 O PHE A 69 7.762 0.157 0.369 1.00 0.84 O ATOM 1102 CB PHE A 69 9.968 -1.882 1.649 1.00 0.88 C ATOM 1103 CG PHE A 69 9.343 -1.411 2.951 1.00 0.96 C ATOM 1104 CD1 PHE A 69 8.106 -1.929 3.382 1.00 2.33 C ATOM 1105 CD2 PHE A 69 10.043 -0.513 3.781 1.00 1.97 C ATOM 1106 CE1 PHE A 69 7.557 -1.525 4.609 1.00 2.90 C ATOM 1107 CE2 PHE A 69 9.489 -0.103 5.002 1.00 2.63 C ATOM 1108 CZ PHE A 69 8.245 -0.605 5.418 1.00 2.63 C ATOM 0 H PHE A 69 10.610 -3.134 -0.199 1.00 0.80 H new ATOM 0 HA PHE A 69 8.093 -2.306 0.560 1.00 0.79 H new ATOM 0 HB2 PHE A 69 10.328 -2.900 1.797 1.00 0.88 H new ATOM 0 HB3 PHE A 69 10.841 -1.260 1.450 1.00 0.88 H new ATOM 0 HD1 PHE A 69 7.577 -2.641 2.765 1.00 2.33 H new ATOM 0 HD2 PHE A 69 11.009 -0.139 3.476 1.00 1.97 H new ATOM 0 HE1 PHE A 69 6.605 -1.921 4.931 1.00 2.90 H new ATOM 0 HE2 PHE A 69 10.021 0.601 5.625 1.00 2.63 H new ATOM 0 HZ PHE A 69 7.818 -0.285 6.357 1.00 2.63 H new ATOM 1118 N LYS A 70 9.579 0.149 -0.943 1.00 0.79 N ATOM 1119 CA LYS A 70 9.434 1.482 -1.544 1.00 0.84 C ATOM 1120 C LYS A 70 8.150 1.615 -2.360 1.00 0.83 C ATOM 1121 O LYS A 70 7.369 2.543 -2.154 1.00 0.81 O ATOM 1122 CB LYS A 70 10.647 1.619 -2.472 1.00 1.09 C ATOM 1123 CG LYS A 70 10.762 2.910 -3.291 1.00 1.75 C ATOM 1124 CD LYS A 70 11.659 2.703 -4.524 1.00 2.49 C ATOM 1125 CE LYS A 70 13.120 2.317 -4.228 1.00 2.96 C ATOM 1126 NZ LYS A 70 13.303 0.885 -3.871 1.00 3.65 N ATOM 0 H LYS A 70 10.411 -0.334 -1.283 1.00 0.79 H new ATOM 0 HA LYS A 70 9.382 2.252 -0.774 1.00 0.84 H new ATOM 0 HB2 LYS A 70 11.548 1.522 -1.866 1.00 1.09 H new ATOM 0 HB3 LYS A 70 10.638 0.779 -3.166 1.00 1.09 H new ATOM 0 HG2 LYS A 70 9.771 3.233 -3.608 1.00 1.75 H new ATOM 0 HG3 LYS A 70 11.172 3.705 -2.668 1.00 1.75 H new ATOM 0 HD2 LYS A 70 11.216 1.926 -5.147 1.00 2.49 H new ATOM 0 HD3 LYS A 70 11.657 3.622 -5.111 1.00 2.49 H new ATOM 0 HE2 LYS A 70 13.730 2.544 -5.102 1.00 2.96 H new ATOM 0 HE3 LYS A 70 13.491 2.936 -3.411 1.00 2.96 H new ATOM 0 HZ1 LYS A 70 14.271 0.588 -4.111 1.00 3.65 H new ATOM 0 HZ2 LYS A 70 13.145 0.759 -2.851 1.00 3.65 H new ATOM 0 HZ3 LYS A 70 12.622 0.305 -4.401 1.00 3.65 H new ATOM 1140 N GLU A 71 7.970 0.676 -3.287 1.00 0.88 N ATOM 1141 CA GLU A 71 6.864 0.661 -4.234 1.00 0.81 C ATOM 1142 C GLU A 71 5.557 0.519 -3.455 1.00 0.72 C ATOM 1143 O GLU A 71 4.584 1.224 -3.692 1.00 0.70 O ATOM 1144 CB GLU A 71 7.059 -0.507 -5.208 1.00 0.91 C ATOM 1145 CG GLU A 71 8.271 -0.285 -6.128 1.00 1.04 C ATOM 1146 CD GLU A 71 7.848 0.332 -7.460 1.00 1.42 C ATOM 1147 OE1 GLU A 71 7.305 -0.416 -8.305 1.00 2.33 O ATOM 1148 OE2 GLU A 71 8.053 1.553 -7.600 1.00 2.50 O ATOM 0 H GLU A 71 8.606 -0.113 -3.401 1.00 0.88 H new ATOM 0 HA GLU A 71 6.830 1.586 -4.809 1.00 0.81 H new ATOM 0 HB2 GLU A 71 7.194 -1.431 -4.646 1.00 0.91 H new ATOM 0 HB3 GLU A 71 6.161 -0.630 -5.813 1.00 0.91 H new ATOM 0 HG2 GLU A 71 8.991 0.368 -5.634 1.00 1.04 H new ATOM 0 HG3 GLU A 71 8.773 -1.235 -6.308 1.00 1.04 H new ATOM 1155 N TYR A 72 5.593 -0.326 -2.426 1.00 0.74 N ATOM 1156 CA TYR A 72 4.484 -0.517 -1.495 1.00 0.68 C ATOM 1157 C TYR A 72 4.147 0.763 -0.702 1.00 0.65 C ATOM 1158 O TYR A 72 2.984 1.175 -0.664 1.00 0.61 O ATOM 1159 CB TYR A 72 4.854 -1.713 -0.609 1.00 0.75 C ATOM 1160 CG TYR A 72 3.967 -1.961 0.604 1.00 0.80 C ATOM 1161 CD1 TYR A 72 2.570 -2.065 0.466 1.00 2.33 C ATOM 1162 CD2 TYR A 72 4.545 -2.125 1.878 1.00 1.88 C ATOM 1163 CE1 TYR A 72 1.767 -2.417 1.567 1.00 2.43 C ATOM 1164 CE2 TYR A 72 3.747 -2.459 2.989 1.00 1.89 C ATOM 1165 CZ TYR A 72 2.356 -2.627 2.832 1.00 1.04 C ATOM 1166 OH TYR A 72 1.583 -3.024 3.874 1.00 1.24 O ATOM 0 H TYR A 72 6.405 -0.905 -2.213 1.00 0.74 H new ATOM 0 HA TYR A 72 3.560 -0.730 -2.032 1.00 0.68 H new ATOM 0 HB2 TYR A 72 4.845 -2.611 -1.227 1.00 0.75 H new ATOM 0 HB3 TYR A 72 5.878 -1.576 -0.261 1.00 0.75 H new ATOM 0 HD1 TYR A 72 2.111 -1.873 -0.492 1.00 2.33 H new ATOM 0 HD2 TYR A 72 5.610 -1.993 2.004 1.00 1.88 H new ATOM 0 HE1 TYR A 72 0.700 -2.526 1.444 1.00 2.43 H new ATOM 0 HE2 TYR A 72 4.200 -2.586 3.961 1.00 1.89 H new ATOM 0 HH TYR A 72 2.155 -3.260 4.634 1.00 1.24 H new ATOM 1176 N SER A 73 5.142 1.434 -0.111 1.00 0.71 N ATOM 1177 CA SER A 73 4.930 2.671 0.650 1.00 0.71 C ATOM 1178 C SER A 73 4.447 3.844 -0.214 1.00 0.70 C ATOM 1179 O SER A 73 3.529 4.548 0.214 1.00 0.68 O ATOM 1180 CB SER A 73 6.181 3.049 1.439 1.00 0.76 C ATOM 1181 OG SER A 73 7.154 3.675 0.638 1.00 1.20 O ATOM 0 H SER A 73 6.117 1.135 -0.147 1.00 0.71 H new ATOM 0 HA SER A 73 4.123 2.461 1.352 1.00 0.71 H new ATOM 0 HB2 SER A 73 5.904 3.715 2.256 1.00 0.76 H new ATOM 0 HB3 SER A 73 6.607 2.153 1.889 1.00 0.76 H new ATOM 0 HG SER A 73 7.785 4.161 1.209 1.00 1.20 H new ATOM 1187 N VAL A 74 4.995 4.040 -1.419 1.00 0.70 N ATOM 1188 CA VAL A 74 4.539 5.101 -2.330 1.00 0.69 C ATOM 1189 C VAL A 74 3.169 4.802 -2.932 1.00 0.65 C ATOM 1190 O VAL A 74 2.390 5.735 -3.074 1.00 0.65 O ATOM 1191 CB VAL A 74 5.524 5.468 -3.459 1.00 0.74 C ATOM 1192 CG1 VAL A 74 6.863 5.935 -2.873 1.00 0.84 C ATOM 1193 CG2 VAL A 74 5.728 4.385 -4.528 1.00 0.76 C ATOM 0 H VAL A 74 5.759 3.475 -1.789 1.00 0.70 H new ATOM 0 HA VAL A 74 4.474 5.973 -1.679 1.00 0.69 H new ATOM 0 HB VAL A 74 5.052 6.290 -3.996 1.00 0.74 H new ATOM 0 HG11 VAL A 74 7.546 6.190 -3.684 1.00 0.84 H new ATOM 0 HG12 VAL A 74 6.700 6.812 -2.247 1.00 0.84 H new ATOM 0 HG13 VAL A 74 7.296 5.135 -2.272 1.00 0.84 H new ATOM 0 HG21 VAL A 74 6.437 4.741 -5.275 1.00 0.76 H new ATOM 0 HG22 VAL A 74 6.117 3.481 -4.060 1.00 0.76 H new ATOM 0 HG23 VAL A 74 4.775 4.164 -5.009 1.00 0.76 H new ATOM 1203 N PHE A 75 2.821 3.541 -3.222 1.00 0.66 N ATOM 1204 CA PHE A 75 1.488 3.179 -3.712 1.00 0.63 C ATOM 1205 C PHE A 75 0.424 3.425 -2.637 1.00 0.61 C ATOM 1206 O PHE A 75 -0.615 4.020 -2.923 1.00 0.62 O ATOM 1207 CB PHE A 75 1.511 1.711 -4.162 1.00 0.64 C ATOM 1208 CG PHE A 75 0.262 1.235 -4.878 1.00 0.57 C ATOM 1209 CD1 PHE A 75 -0.935 0.992 -4.178 1.00 1.67 C ATOM 1210 CD2 PHE A 75 0.306 1.014 -6.265 1.00 1.95 C ATOM 1211 CE1 PHE A 75 -2.056 0.468 -4.840 1.00 1.73 C ATOM 1212 CE2 PHE A 75 -0.815 0.501 -6.929 1.00 1.88 C ATOM 1213 CZ PHE A 75 -1.987 0.193 -6.214 1.00 0.56 C ATOM 0 H PHE A 75 3.454 2.747 -3.123 1.00 0.66 H new ATOM 0 HA PHE A 75 1.224 3.807 -4.563 1.00 0.63 H new ATOM 0 HB2 PHE A 75 2.367 1.563 -4.821 1.00 0.64 H new ATOM 0 HB3 PHE A 75 1.670 1.082 -3.286 1.00 0.64 H new ATOM 0 HD1 PHE A 75 -0.991 1.211 -3.122 1.00 1.67 H new ATOM 0 HD2 PHE A 75 1.205 1.240 -6.819 1.00 1.95 H new ATOM 0 HE1 PHE A 75 -2.968 0.277 -4.294 1.00 1.73 H new ATOM 0 HE2 PHE A 75 -0.780 0.341 -7.996 1.00 1.88 H new ATOM 0 HZ PHE A 75 -2.830 -0.253 -6.721 1.00 0.56 H new ATOM 1223 N LEU A 76 0.689 3.033 -1.384 1.00 0.59 N ATOM 1224 CA LEU A 76 -0.179 3.349 -0.241 1.00 0.59 C ATOM 1225 C LEU A 76 -0.314 4.861 -0.033 1.00 0.60 C ATOM 1226 O LEU A 76 -1.431 5.370 0.081 1.00 0.68 O ATOM 1227 CB LEU A 76 0.391 2.708 1.036 1.00 0.58 C ATOM 1228 CG LEU A 76 0.067 1.218 1.230 1.00 0.63 C ATOM 1229 CD1 LEU A 76 0.863 0.722 2.441 1.00 0.96 C ATOM 1230 CD2 LEU A 76 -1.437 0.990 1.467 1.00 0.74 C ATOM 0 H LEU A 76 1.513 2.487 -1.133 1.00 0.59 H new ATOM 0 HA LEU A 76 -1.169 2.946 -0.454 1.00 0.59 H new ATOM 0 HB2 LEU A 76 1.474 2.828 1.030 1.00 0.58 H new ATOM 0 HB3 LEU A 76 0.014 3.259 1.898 1.00 0.58 H new ATOM 0 HG LEU A 76 0.339 0.670 0.328 1.00 0.63 H new ATOM 0 HD11 LEU A 76 0.654 -0.335 2.605 1.00 0.96 H new ATOM 0 HD12 LEU A 76 1.929 0.857 2.256 1.00 0.96 H new ATOM 0 HD13 LEU A 76 0.573 1.291 3.325 1.00 0.96 H new ATOM 0 HD21 LEU A 76 -1.627 -0.075 1.600 1.00 0.74 H new ATOM 0 HD22 LEU A 76 -1.750 1.529 2.361 1.00 0.74 H new ATOM 0 HD23 LEU A 76 -2.000 1.355 0.608 1.00 0.74 H new ATOM 1242 N THR A 77 0.817 5.575 -0.018 1.00 0.59 N ATOM 1243 CA THR A 77 0.866 7.036 0.118 1.00 0.63 C ATOM 1244 C THR A 77 0.091 7.712 -1.004 1.00 0.64 C ATOM 1245 O THR A 77 -0.655 8.647 -0.748 1.00 0.71 O ATOM 1246 CB THR A 77 2.322 7.497 0.148 1.00 0.71 C ATOM 1247 OG1 THR A 77 2.909 6.939 1.299 1.00 0.74 O ATOM 1248 CG2 THR A 77 2.453 9.018 0.233 1.00 0.83 C ATOM 0 H THR A 77 1.739 5.147 -0.101 1.00 0.59 H new ATOM 0 HA THR A 77 0.391 7.324 1.056 1.00 0.63 H new ATOM 0 HB THR A 77 2.808 7.177 -0.774 1.00 0.71 H new ATOM 0 HG1 THR A 77 2.993 5.969 1.186 1.00 0.74 H new ATOM 0 HG21 THR A 77 3.508 9.292 0.251 1.00 0.83 H new ATOM 0 HG22 THR A 77 1.975 9.473 -0.634 1.00 0.83 H new ATOM 0 HG23 THR A 77 1.970 9.375 1.143 1.00 0.83 H new ATOM 1256 N MET A 78 0.215 7.207 -2.231 1.00 0.65 N ATOM 1257 CA MET A 78 -0.461 7.712 -3.425 1.00 0.67 C ATOM 1258 C MET A 78 -1.982 7.595 -3.307 1.00 0.61 C ATOM 1259 O MET A 78 -2.669 8.591 -3.507 1.00 0.72 O ATOM 1260 CB MET A 78 0.100 6.988 -4.655 1.00 0.70 C ATOM 1261 CG MET A 78 -0.533 7.464 -5.961 1.00 1.06 C ATOM 1262 SD MET A 78 0.391 7.070 -7.468 1.00 1.33 S ATOM 1263 CE MET A 78 0.981 5.393 -7.114 1.00 1.27 C ATOM 0 H MET A 78 0.812 6.404 -2.428 1.00 0.65 H new ATOM 0 HA MET A 78 -0.263 8.778 -3.534 1.00 0.67 H new ATOM 0 HB2 MET A 78 1.178 7.142 -4.702 1.00 0.70 H new ATOM 0 HB3 MET A 78 -0.064 5.916 -4.546 1.00 0.70 H new ATOM 0 HG2 MET A 78 -1.528 7.027 -6.042 1.00 1.06 H new ATOM 0 HG3 MET A 78 -0.663 8.545 -5.908 1.00 1.06 H new ATOM 0 HE1 MET A 78 1.394 4.953 -8.022 1.00 1.27 H new ATOM 0 HE2 MET A 78 1.754 5.434 -6.347 1.00 1.27 H new ATOM 0 HE3 MET A 78 0.150 4.782 -6.760 1.00 1.27 H new ATOM 1273 N LEU A 79 -2.526 6.435 -2.920 1.00 0.61 N ATOM 1274 CA LEU A 79 -3.969 6.331 -2.670 1.00 0.73 C ATOM 1275 C LEU A 79 -4.404 7.245 -1.511 1.00 0.78 C ATOM 1276 O LEU A 79 -5.446 7.889 -1.593 1.00 0.92 O ATOM 1277 CB LEU A 79 -4.379 4.866 -2.419 1.00 0.94 C ATOM 1278 CG LEU A 79 -5.619 4.408 -3.215 1.00 1.41 C ATOM 1279 CD1 LEU A 79 -6.778 5.402 -3.183 1.00 1.92 C ATOM 1280 CD2 LEU A 79 -5.254 4.072 -4.667 1.00 2.75 C ATOM 0 H LEU A 79 -2.002 5.572 -2.775 1.00 0.61 H new ATOM 0 HA LEU A 79 -4.490 6.673 -3.564 1.00 0.73 H new ATOM 0 HB2 LEU A 79 -3.540 4.218 -2.672 1.00 0.94 H new ATOM 0 HB3 LEU A 79 -4.575 4.733 -1.355 1.00 0.94 H new ATOM 0 HG LEU A 79 -5.968 3.508 -2.709 1.00 1.41 H new ATOM 0 HD11 LEU A 79 -7.611 5.008 -3.765 1.00 1.92 H new ATOM 0 HD12 LEU A 79 -7.096 5.557 -2.152 1.00 1.92 H new ATOM 0 HD13 LEU A 79 -6.455 6.352 -3.609 1.00 1.92 H new ATOM 0 HD21 LEU A 79 -6.148 3.753 -5.202 1.00 2.75 H new ATOM 0 HD22 LEU A 79 -4.837 4.955 -5.151 1.00 2.75 H new ATOM 0 HD23 LEU A 79 -4.517 3.269 -4.680 1.00 2.75 H new ATOM 1292 N CYS A 80 -3.585 7.345 -0.461 1.00 0.76 N ATOM 1293 CA CYS A 80 -3.855 8.184 0.707 1.00 0.87 C ATOM 1294 C CYS A 80 -3.827 9.699 0.408 1.00 1.12 C ATOM 1295 O CYS A 80 -4.470 10.448 1.137 1.00 1.62 O ATOM 1296 CB CYS A 80 -2.856 7.783 1.804 1.00 0.93 C ATOM 1297 SG CYS A 80 -3.371 8.532 3.371 1.00 1.15 S ATOM 0 H CYS A 80 -2.703 6.837 -0.398 1.00 0.76 H new ATOM 0 HA CYS A 80 -4.878 8.008 1.041 1.00 0.87 H new ATOM 0 HB2 CYS A 80 -2.817 6.698 1.900 1.00 0.93 H new ATOM 0 HB3 CYS A 80 -1.852 8.116 1.539 1.00 0.93 H new ATOM 0 HG CYS A 80 -4.032 9.626 3.133 1.00 1.15 H new ATOM 1303 N MET A 81 -3.084 10.162 -0.600 1.00 1.01 N ATOM 1304 CA MET A 81 -3.142 11.554 -1.084 1.00 1.17 C ATOM 1305 C MET A 81 -4.169 11.761 -2.202 1.00 1.31 C ATOM 1306 O MET A 81 -4.700 12.860 -2.332 1.00 1.44 O ATOM 1307 CB MET A 81 -1.736 12.076 -1.425 1.00 1.29 C ATOM 1308 CG MET A 81 -1.046 11.464 -2.647 1.00 2.14 C ATOM 1309 SD MET A 81 -1.664 11.915 -4.292 1.00 3.41 S ATOM 1310 CE MET A 81 -1.464 13.713 -4.208 1.00 3.79 C ATOM 0 H MET A 81 -2.419 9.582 -1.111 1.00 1.01 H new ATOM 0 HA MET A 81 -3.514 12.170 -0.266 1.00 1.17 H new ATOM 0 HB2 MET A 81 -1.802 13.153 -1.577 1.00 1.29 H new ATOM 0 HB3 MET A 81 -1.095 11.915 -0.558 1.00 1.29 H new ATOM 0 HG2 MET A 81 0.010 11.731 -2.603 1.00 2.14 H new ATOM 0 HG3 MET A 81 -1.104 10.379 -2.555 1.00 2.14 H new ATOM 0 HE1 MET A 81 -1.451 14.125 -5.217 1.00 3.79 H new ATOM 0 HE2 MET A 81 -2.295 14.146 -3.650 1.00 3.79 H new ATOM 0 HE3 MET A 81 -0.526 13.952 -3.706 1.00 3.79 H new ATOM 1320 N ALA A 82 -4.527 10.703 -2.946 1.00 1.41 N ATOM 1321 CA ALA A 82 -5.668 10.717 -3.867 1.00 1.51 C ATOM 1322 C ALA A 82 -7.009 10.947 -3.143 1.00 1.56 C ATOM 1323 O ALA A 82 -7.948 11.446 -3.764 1.00 1.99 O ATOM 1324 CB ALA A 82 -5.665 9.426 -4.691 1.00 1.50 C ATOM 0 H ALA A 82 -4.030 9.812 -2.924 1.00 1.41 H new ATOM 0 HA ALA A 82 -5.559 11.566 -4.542 1.00 1.51 H new ATOM 0 HB1 ALA A 82 -6.511 9.431 -5.378 1.00 1.50 H new ATOM 0 HB2 ALA A 82 -4.737 9.359 -5.259 1.00 1.50 H new ATOM 0 HB3 ALA A 82 -5.744 8.568 -4.023 1.00 1.50 H new ATOM 1330 N TYR A 83 -7.097 10.662 -1.833 1.00 1.36 N ATOM 1331 CA TYR A 83 -8.142 11.178 -0.933 1.00 1.63 C ATOM 1332 C TYR A 83 -7.799 11.143 0.568 1.00 1.75 C ATOM 1333 O TYR A 83 -7.384 10.108 1.083 1.00 3.26 O ATOM 1334 CB TYR A 83 -9.464 10.437 -1.153 1.00 1.76 C ATOM 1335 CG TYR A 83 -9.513 8.963 -0.776 1.00 1.57 C ATOM 1336 CD1 TYR A 83 -9.084 7.955 -1.666 1.00 2.40 C ATOM 1337 CD2 TYR A 83 -10.101 8.589 0.451 1.00 2.35 C ATOM 1338 CE1 TYR A 83 -9.365 6.612 -1.390 1.00 2.92 C ATOM 1339 CE2 TYR A 83 -10.266 7.234 0.783 1.00 2.83 C ATOM 1340 CZ TYR A 83 -9.916 6.239 -0.154 1.00 2.76 C ATOM 1341 OH TYR A 83 -10.150 4.929 0.103 1.00 3.71 O ATOM 0 H TYR A 83 -6.429 10.053 -1.360 1.00 1.36 H new ATOM 0 HA TYR A 83 -8.227 12.231 -1.203 1.00 1.63 H new ATOM 0 HB2 TYR A 83 -10.238 10.955 -0.587 1.00 1.76 H new ATOM 0 HB3 TYR A 83 -9.727 10.524 -2.207 1.00 1.76 H new ATOM 0 HD1 TYR A 83 -8.539 8.220 -2.560 1.00 2.40 H new ATOM 0 HD2 TYR A 83 -10.427 9.352 1.142 1.00 2.35 H new ATOM 0 HE1 TYR A 83 -9.156 5.857 -2.134 1.00 2.92 H new ATOM 0 HE2 TYR A 83 -10.658 6.956 1.750 1.00 2.83 H new ATOM 0 HH TYR A 83 -10.937 4.844 0.681 1.00 3.71 H new ATOM 1351 N ASN A 84 -8.113 12.235 1.279 1.00 1.16 N ATOM 1352 CA ASN A 84 -8.039 12.367 2.745 1.00 1.37 C ATOM 1353 C ASN A 84 -8.701 13.654 3.281 1.00 1.81 C ATOM 1354 O ASN A 84 -8.120 14.429 4.039 1.00 2.29 O ATOM 1355 CB ASN A 84 -6.615 12.134 3.275 1.00 1.56 C ATOM 1356 CG ASN A 84 -5.552 13.078 2.716 1.00 2.26 C ATOM 1357 OD1 ASN A 84 -5.810 14.096 2.093 1.00 3.62 O ATOM 1358 ND2 ASN A 84 -4.302 12.751 2.954 1.00 2.54 N ATOM 0 H ASN A 84 -8.441 13.090 0.830 1.00 1.16 H new ATOM 0 HA ASN A 84 -8.647 11.561 3.156 1.00 1.37 H new ATOM 0 HB2 ASN A 84 -6.628 12.229 4.361 1.00 1.56 H new ATOM 0 HB3 ASN A 84 -6.323 11.109 3.048 1.00 1.56 H new ATOM 0 HD21 ASN A 84 -3.546 13.348 2.618 1.00 2.54 H new ATOM 0 HD22 ASN A 84 -4.088 11.900 3.475 1.00 2.54 H new ATOM 1365 N ASP A 85 -9.969 13.836 2.905 1.00 2.01 N ATOM 1366 CA ASP A 85 -10.773 15.050 3.121 1.00 2.28 C ATOM 1367 C ASP A 85 -10.945 15.480 4.589 1.00 2.45 C ATOM 1368 O ASP A 85 -11.247 16.639 4.873 1.00 2.61 O ATOM 1369 CB ASP A 85 -12.145 14.818 2.482 1.00 2.98 C ATOM 1370 CG ASP A 85 -12.928 16.105 2.187 1.00 3.77 C ATOM 1371 OD1 ASP A 85 -12.317 17.043 1.624 1.00 4.13 O ATOM 1372 OD2 ASP A 85 -14.162 16.096 2.398 1.00 5.13 O ATOM 0 H ASP A 85 -10.492 13.108 2.418 1.00 2.01 H new ATOM 0 HA ASP A 85 -10.227 15.874 2.661 1.00 2.28 H new ATOM 0 HB2 ASP A 85 -12.011 14.266 1.552 1.00 2.98 H new ATOM 0 HB3 ASP A 85 -12.740 14.188 3.144 1.00 2.98 H new ATOM 1377 N PHE A 86 -10.674 14.565 5.525 1.00 2.66 N ATOM 1378 CA PHE A 86 -10.605 14.795 6.974 1.00 3.08 C ATOM 1379 C PHE A 86 -9.604 15.896 7.384 1.00 2.85 C ATOM 1380 O PHE A 86 -9.565 16.272 8.554 1.00 3.37 O ATOM 1381 CB PHE A 86 -10.210 13.473 7.651 1.00 3.45 C ATOM 1382 CG PHE A 86 -11.066 12.275 7.282 1.00 3.73 C ATOM 1383 CD1 PHE A 86 -12.354 12.129 7.833 1.00 4.18 C ATOM 1384 CD2 PHE A 86 -10.578 11.307 6.379 1.00 4.36 C ATOM 1385 CE1 PHE A 86 -13.145 11.017 7.492 1.00 4.80 C ATOM 1386 CE2 PHE A 86 -11.374 10.197 6.037 1.00 5.18 C ATOM 1387 CZ PHE A 86 -12.653 10.051 6.597 1.00 5.23 C ATOM 0 H PHE A 86 -10.487 13.592 5.281 1.00 2.66 H new ATOM 0 HA PHE A 86 -11.587 15.142 7.295 1.00 3.08 H new ATOM 0 HB2 PHE A 86 -9.173 13.250 7.398 1.00 3.45 H new ATOM 0 HB3 PHE A 86 -10.252 13.610 8.732 1.00 3.45 H new ATOM 0 HD1 PHE A 86 -12.735 12.872 8.518 1.00 4.18 H new ATOM 0 HD2 PHE A 86 -9.593 11.417 5.950 1.00 4.36 H new ATOM 0 HE1 PHE A 86 -14.131 10.905 7.918 1.00 4.80 H new ATOM 0 HE2 PHE A 86 -11.001 9.458 5.344 1.00 5.18 H new ATOM 0 HZ PHE A 86 -13.260 9.195 6.340 1.00 5.23 H new ATOM 1397 N PHE A 87 -8.782 16.387 6.449 1.00 2.29 N ATOM 1398 CA PHE A 87 -7.800 17.449 6.662 1.00 2.32 C ATOM 1399 C PHE A 87 -8.053 18.667 5.760 1.00 2.17 C ATOM 1400 O PHE A 87 -7.208 19.553 5.685 1.00 2.35 O ATOM 1401 CB PHE A 87 -6.389 16.865 6.450 1.00 2.31 C ATOM 1402 CG PHE A 87 -6.160 15.534 7.144 1.00 2.69 C ATOM 1403 CD1 PHE A 87 -6.398 15.409 8.527 1.00 3.73 C ATOM 1404 CD2 PHE A 87 -5.786 14.405 6.396 1.00 2.78 C ATOM 1405 CE1 PHE A 87 -6.290 14.156 9.150 1.00 4.31 C ATOM 1406 CE2 PHE A 87 -5.676 13.151 7.018 1.00 3.38 C ATOM 1407 CZ PHE A 87 -5.937 13.023 8.395 1.00 3.95 C ATOM 0 H PHE A 87 -8.785 16.041 5.489 1.00 2.29 H new ATOM 0 HA PHE A 87 -7.893 17.816 7.684 1.00 2.32 H new ATOM 0 HB2 PHE A 87 -6.216 16.740 5.381 1.00 2.31 H new ATOM 0 HB3 PHE A 87 -5.652 17.583 6.811 1.00 2.31 H new ATOM 0 HD1 PHE A 87 -6.664 16.279 9.109 1.00 3.73 H new ATOM 0 HD2 PHE A 87 -5.583 14.502 5.340 1.00 2.78 H new ATOM 0 HE1 PHE A 87 -6.478 14.062 10.209 1.00 4.31 H new ATOM 0 HE2 PHE A 87 -5.391 12.285 6.440 1.00 3.38 H new ATOM 0 HZ PHE A 87 -5.866 12.056 8.871 1.00 3.95 H new ATOM 1417 N LEU A 88 -9.176 18.724 5.040 1.00 2.09 N ATOM 1418 CA LEU A 88 -9.563 19.817 4.151 1.00 2.16 C ATOM 1419 C LEU A 88 -10.828 20.490 4.723 1.00 2.83 C ATOM 1420 O LEU A 88 -10.925 20.633 5.942 1.00 3.29 O ATOM 1421 CB LEU A 88 -9.712 19.228 2.729 1.00 1.89 C ATOM 1422 CG LEU A 88 -8.419 18.789 2.008 1.00 2.05 C ATOM 1423 CD1 LEU A 88 -7.531 19.992 1.651 1.00 2.31 C ATOM 1424 CD2 LEU A 88 -7.558 17.733 2.714 1.00 3.06 C ATOM 0 H LEU A 88 -9.869 17.976 5.063 1.00 2.09 H new ATOM 0 HA LEU A 88 -8.818 20.610 4.083 1.00 2.16 H new ATOM 0 HB2 LEU A 88 -10.375 18.365 2.789 1.00 1.89 H new ATOM 0 HB3 LEU A 88 -10.211 19.971 2.106 1.00 1.89 H new ATOM 0 HG LEU A 88 -8.807 18.301 1.114 1.00 2.05 H new ATOM 0 HD11 LEU A 88 -6.631 19.642 1.145 1.00 2.31 H new ATOM 0 HD12 LEU A 88 -8.079 20.666 0.992 1.00 2.31 H new ATOM 0 HD13 LEU A 88 -7.253 20.522 2.562 1.00 2.31 H new ATOM 0 HD21 LEU A 88 -6.681 17.512 2.105 1.00 3.06 H new ATOM 0 HD22 LEU A 88 -7.240 18.113 3.685 1.00 3.06 H new ATOM 0 HD23 LEU A 88 -8.141 16.823 2.854 1.00 3.06 H new ATOM 1436 N GLU A 89 -11.748 20.917 3.859 1.00 3.25 N ATOM 1437 CA GLU A 89 -13.056 21.503 4.166 1.00 4.09 C ATOM 1438 C GLU A 89 -14.066 21.130 3.061 1.00 4.35 C ATOM 1439 O GLU A 89 -15.237 20.898 3.355 1.00 5.30 O ATOM 1440 CB GLU A 89 -12.981 23.044 4.247 1.00 4.58 C ATOM 1441 CG GLU A 89 -12.484 23.645 5.576 1.00 5.06 C ATOM 1442 CD GLU A 89 -10.965 23.690 5.763 1.00 4.90 C ATOM 1443 OE1 GLU A 89 -10.198 23.467 4.799 1.00 4.70 O ATOM 1444 OE2 GLU A 89 -10.507 23.913 6.910 1.00 5.66 O ATOM 0 H GLU A 89 -11.589 20.859 2.853 1.00 3.25 H new ATOM 0 HA GLU A 89 -13.373 21.109 5.132 1.00 4.09 H new ATOM 0 HB2 GLU A 89 -12.326 23.395 3.449 1.00 4.58 H new ATOM 0 HB3 GLU A 89 -13.974 23.444 4.043 1.00 4.58 H new ATOM 0 HG2 GLU A 89 -12.871 24.660 5.661 1.00 5.06 H new ATOM 0 HG3 GLU A 89 -12.915 23.070 6.396 1.00 5.06 H new ATOM 1451 N ASP A 90 -13.630 21.090 1.794 1.00 3.83 N ATOM 1452 CA ASP A 90 -14.520 21.001 0.630 1.00 4.40 C ATOM 1453 C ASP A 90 -13.984 20.147 -0.535 1.00 4.79 C ATOM 1454 O ASP A 90 -14.550 20.196 -1.627 1.00 5.36 O ATOM 1455 CB ASP A 90 -14.805 22.433 0.139 1.00 4.55 C ATOM 1456 CG ASP A 90 -13.639 23.033 -0.661 1.00 4.47 C ATOM 1457 OD1 ASP A 90 -12.471 22.790 -0.264 1.00 4.85 O ATOM 1458 OD2 ASP A 90 -13.926 23.708 -1.675 1.00 4.98 O ATOM 0 H ASP A 90 -12.641 21.119 1.547 1.00 3.83 H new ATOM 0 HA ASP A 90 -15.423 20.489 0.961 1.00 4.40 H new ATOM 0 HB2 ASP A 90 -15.701 22.427 -0.482 1.00 4.55 H new ATOM 0 HB3 ASP A 90 -15.017 23.071 0.997 1.00 4.55 H new ATOM 1463 N ASN A 91 -12.930 19.350 -0.349 1.00 5.35 N ATOM 1464 CA ASN A 91 -12.241 18.675 -1.457 1.00 6.09 C ATOM 1465 C ASN A 91 -12.935 17.351 -1.859 1.00 7.75 C ATOM 1466 O ASN A 91 -13.641 17.315 -2.872 1.00 8.71 O ATOM 1467 CB ASN A 91 -10.760 18.461 -1.098 1.00 6.82 C ATOM 1468 CG ASN A 91 -9.872 19.709 -1.151 1.00 6.84 C ATOM 1469 OD1 ASN A 91 -8.698 19.606 -1.484 1.00 7.79 O ATOM 1470 ND2 ASN A 91 -10.335 20.895 -0.809 1.00 6.62 N ATOM 0 H ASN A 91 -12.530 19.153 0.568 1.00 5.35 H new ATOM 0 HA ASN A 91 -12.295 19.320 -2.334 1.00 6.09 H new ATOM 0 HB2 ASN A 91 -10.706 18.043 -0.093 1.00 6.82 H new ATOM 0 HB3 ASN A 91 -10.346 17.715 -1.776 1.00 6.82 H new ATOM 0 HD21 ASN A 91 -9.718 21.707 -0.825 1.00 6.62 H new ATOM 0 HD22 ASN A 91 -11.310 21.000 -0.529 1.00 6.62 H new ATOM 1477 N LYS A 92 -12.759 16.297 -1.047 1.00 8.46 N ATOM 1478 CA LYS A 92 -13.120 14.866 -1.226 1.00 10.45 C ATOM 1479 C LYS A 92 -12.170 14.127 -2.170 1.00 10.83 C ATOM 1480 O LYS A 92 -11.139 13.602 -1.695 1.00 11.18 O ATOM 1481 CB LYS A 92 -14.601 14.614 -1.584 1.00 11.83 C ATOM 1482 CG LYS A 92 -15.613 14.950 -0.470 1.00 12.44 C ATOM 1483 CD LYS A 92 -15.919 16.441 -0.267 1.00 11.59 C ATOM 1484 CE LYS A 92 -16.544 17.046 -1.531 1.00 11.70 C ATOM 1485 NZ LYS A 92 -16.654 18.515 -1.426 1.00 10.72 N ATOM 1486 OXT LYS A 92 -12.492 13.989 -3.369 1.00 11.25 O ATOM 0 H LYS A 92 -12.309 16.434 -0.142 1.00 8.46 H new ATOM 0 HA LYS A 92 -12.990 14.435 -0.233 1.00 10.45 H new ATOM 0 HB2 LYS A 92 -14.849 15.202 -2.468 1.00 11.83 H new ATOM 0 HB3 LYS A 92 -14.719 13.565 -1.855 1.00 11.83 H new ATOM 0 HG2 LYS A 92 -16.548 14.434 -0.688 1.00 12.44 H new ATOM 0 HG3 LYS A 92 -15.237 14.545 0.470 1.00 12.44 H new ATOM 0 HD2 LYS A 92 -16.599 16.566 0.576 1.00 11.59 H new ATOM 0 HD3 LYS A 92 -15.002 16.975 -0.018 1.00 11.59 H new ATOM 0 HE2 LYS A 92 -15.938 16.786 -2.399 1.00 11.70 H new ATOM 0 HE3 LYS A 92 -17.533 16.616 -1.692 1.00 11.70 H new ATOM 0 HZ1 LYS A 92 -17.472 18.842 -1.978 1.00 10.72 H new ATOM 0 HZ2 LYS A 92 -16.779 18.783 -0.429 1.00 10.72 H new ATOM 0 HZ3 LYS A 92 -15.788 18.955 -1.797 1.00 10.72 H new TER 1500 LYS A 92 ATOM 1501 N MET B 1 -7.910 5.535 11.181 1.00 6.91 N ATOM 1502 CA MET B 1 -9.342 5.167 11.187 1.00 5.60 C ATOM 1503 C MET B 1 -9.504 3.679 11.508 1.00 4.19 C ATOM 1504 O MET B 1 -9.435 3.315 12.677 1.00 4.59 O ATOM 1505 CB MET B 1 -10.068 5.568 9.881 1.00 5.68 C ATOM 1506 CG MET B 1 -11.588 5.585 10.084 1.00 6.07 C ATOM 1507 SD MET B 1 -12.508 6.007 8.582 1.00 6.86 S ATOM 1508 CE MET B 1 -13.816 4.747 8.597 1.00 7.14 C ATOM 0 H1 MET B 1 -7.811 6.550 11.386 1.00 6.91 H new ATOM 0 H2 MET B 1 -7.407 4.985 11.906 1.00 6.91 H new ATOM 0 H3 MET B 1 -7.503 5.330 10.246 1.00 6.91 H new ATOM 0 HA MET B 1 -9.828 5.740 11.976 1.00 5.60 H new ATOM 0 HB2 MET B 1 -9.729 6.553 9.559 1.00 5.68 H new ATOM 0 HB3 MET B 1 -9.811 4.867 9.087 1.00 5.68 H new ATOM 0 HG2 MET B 1 -11.911 4.605 10.436 1.00 6.07 H new ATOM 0 HG3 MET B 1 -11.835 6.303 10.866 1.00 6.07 H new ATOM 0 HE1 MET B 1 -14.699 5.133 8.087 1.00 7.14 H new ATOM 0 HE2 MET B 1 -13.464 3.851 8.086 1.00 7.14 H new ATOM 0 HE3 MET B 1 -14.071 4.500 9.627 1.00 7.14 H new ATOM 1517 N GLU B 2 -9.732 2.840 10.496 1.00 3.16 N ATOM 1518 CA GLU B 2 -10.519 1.618 10.531 1.00 2.24 C ATOM 1519 C GLU B 2 -9.680 0.347 10.741 1.00 1.98 C ATOM 1520 O GLU B 2 -9.620 -0.178 11.855 1.00 2.61 O ATOM 1521 CB GLU B 2 -11.303 1.629 9.210 1.00 3.25 C ATOM 1522 CG GLU B 2 -12.354 0.538 9.046 1.00 3.51 C ATOM 1523 CD GLU B 2 -12.922 0.669 7.636 1.00 4.92 C ATOM 1524 OE1 GLU B 2 -12.184 0.292 6.703 1.00 5.94 O ATOM 1525 OE2 GLU B 2 -14.026 1.226 7.497 1.00 5.65 O ATOM 0 H GLU B 2 -9.342 3.013 9.569 1.00 3.16 H new ATOM 0 HA GLU B 2 -11.185 1.594 11.394 1.00 2.24 H new ATOM 0 HB2 GLU B 2 -11.795 2.597 9.111 1.00 3.25 H new ATOM 0 HB3 GLU B 2 -10.592 1.547 8.388 1.00 3.25 H new ATOM 0 HG2 GLU B 2 -11.912 -0.447 9.193 1.00 3.51 H new ATOM 0 HG3 GLU B 2 -13.143 0.648 9.790 1.00 3.51 H new ATOM 1532 N THR B 3 -9.016 -0.126 9.682 1.00 1.39 N ATOM 1533 CA THR B 3 -8.354 -1.446 9.568 1.00 1.23 C ATOM 1534 C THR B 3 -6.958 -1.447 10.232 1.00 1.00 C ATOM 1535 O THR B 3 -6.657 -0.462 10.899 1.00 1.09 O ATOM 1536 CB THR B 3 -8.315 -1.872 8.091 1.00 1.29 C ATOM 1537 OG1 THR B 3 -7.275 -1.191 7.439 1.00 1.25 O ATOM 1538 CG2 THR B 3 -9.619 -1.628 7.344 1.00 1.83 C ATOM 0 H THR B 3 -8.916 0.426 8.830 1.00 1.39 H new ATOM 0 HA THR B 3 -8.936 -2.187 10.116 1.00 1.23 H new ATOM 0 HB THR B 3 -8.150 -2.949 8.085 1.00 1.29 H new ATOM 0 HG1 THR B 3 -6.627 -1.839 7.091 1.00 1.25 H new ATOM 0 HG21 THR B 3 -9.512 -1.954 6.309 1.00 1.83 H new ATOM 0 HG22 THR B 3 -10.422 -2.190 7.821 1.00 1.83 H new ATOM 0 HG23 THR B 3 -9.858 -0.565 7.367 1.00 1.83 H new ATOM 1546 N PRO B 4 -6.078 -2.473 10.117 1.00 1.05 N ATOM 1547 CA PRO B 4 -4.750 -2.403 10.725 1.00 1.05 C ATOM 1548 C PRO B 4 -3.719 -1.693 9.836 1.00 0.97 C ATOM 1549 O PRO B 4 -2.967 -0.882 10.368 1.00 1.02 O ATOM 1550 CB PRO B 4 -4.361 -3.856 11.016 1.00 1.33 C ATOM 1551 CG PRO B 4 -5.056 -4.640 9.908 1.00 1.43 C ATOM 1552 CD PRO B 4 -6.311 -3.821 9.603 1.00 1.32 C ATOM 0 HA PRO B 4 -4.769 -1.801 11.633 1.00 1.05 H new ATOM 0 HB2 PRO B 4 -3.280 -3.995 10.989 1.00 1.33 H new ATOM 0 HB3 PRO B 4 -4.698 -4.172 12.003 1.00 1.33 H new ATOM 0 HG2 PRO B 4 -4.419 -4.737 9.028 1.00 1.43 H new ATOM 0 HG3 PRO B 4 -5.308 -5.650 10.232 1.00 1.43 H new ATOM 0 HD2 PRO B 4 -6.504 -3.797 8.531 1.00 1.32 H new ATOM 0 HD3 PRO B 4 -7.187 -4.267 10.074 1.00 1.32 H new ATOM 1560 N LEU B 5 -3.666 -1.919 8.513 1.00 0.94 N ATOM 1561 CA LEU B 5 -2.658 -1.257 7.661 1.00 0.90 C ATOM 1562 C LEU B 5 -2.838 0.261 7.645 1.00 0.75 C ATOM 1563 O LEU B 5 -1.876 1.008 7.813 1.00 0.88 O ATOM 1564 CB LEU B 5 -2.699 -1.869 6.250 1.00 1.03 C ATOM 1565 CG LEU B 5 -1.766 -1.226 5.203 1.00 1.18 C ATOM 1566 CD1 LEU B 5 -0.320 -1.093 5.699 1.00 1.39 C ATOM 1567 CD2 LEU B 5 -1.796 -2.096 3.935 1.00 1.95 C ATOM 0 H LEU B 5 -4.298 -2.545 8.014 1.00 0.94 H new ATOM 0 HA LEU B 5 -1.668 -1.433 8.081 1.00 0.90 H new ATOM 0 HB2 LEU B 5 -2.449 -2.927 6.328 1.00 1.03 H new ATOM 0 HB3 LEU B 5 -3.723 -1.809 5.880 1.00 1.03 H new ATOM 0 HG LEU B 5 -2.125 -0.216 5.003 1.00 1.18 H new ATOM 0 HD11 LEU B 5 0.291 -0.634 4.921 1.00 1.39 H new ATOM 0 HD12 LEU B 5 -0.298 -0.469 6.593 1.00 1.39 H new ATOM 0 HD13 LEU B 5 0.076 -2.081 5.936 1.00 1.39 H new ATOM 0 HD21 LEU B 5 -1.143 -1.660 3.179 1.00 1.95 H new ATOM 0 HD22 LEU B 5 -1.452 -3.102 4.176 1.00 1.95 H new ATOM 0 HD23 LEU B 5 -2.815 -2.143 3.550 1.00 1.95 H new ATOM 1579 N GLU B 6 -4.083 0.724 7.539 1.00 0.74 N ATOM 1580 CA GLU B 6 -4.423 2.144 7.590 1.00 0.89 C ATOM 1581 C GLU B 6 -3.967 2.848 8.887 1.00 0.88 C ATOM 1582 O GLU B 6 -3.851 4.070 8.902 1.00 0.86 O ATOM 1583 CB GLU B 6 -5.929 2.288 7.363 1.00 1.10 C ATOM 1584 CG GLU B 6 -6.753 1.868 8.573 1.00 1.64 C ATOM 1585 CD GLU B 6 -6.973 3.029 9.522 1.00 2.54 C ATOM 1586 OE1 GLU B 6 -7.575 4.012 9.054 1.00 2.83 O ATOM 1587 OE2 GLU B 6 -6.689 2.960 10.738 1.00 3.85 O ATOM 0 H GLU B 6 -4.892 0.116 7.414 1.00 0.74 H new ATOM 0 HA GLU B 6 -3.873 2.653 6.799 1.00 0.89 H new ATOM 0 HB2 GLU B 6 -6.157 3.325 7.117 1.00 1.10 H new ATOM 0 HB3 GLU B 6 -6.221 1.685 6.503 1.00 1.10 H new ATOM 0 HG2 GLU B 6 -7.716 1.479 8.242 1.00 1.64 H new ATOM 0 HG3 GLU B 6 -6.245 1.058 9.098 1.00 1.64 H new ATOM 1594 N LYS B 7 -3.692 2.108 9.972 1.00 0.94 N ATOM 1595 CA LYS B 7 -3.079 2.668 11.185 1.00 1.07 C ATOM 1596 C LYS B 7 -1.710 3.296 10.898 1.00 1.09 C ATOM 1597 O LYS B 7 -1.395 4.339 11.480 1.00 1.22 O ATOM 1598 CB LYS B 7 -2.930 1.610 12.300 1.00 1.41 C ATOM 1599 CG LYS B 7 -4.229 0.940 12.710 1.00 1.55 C ATOM 1600 CD LYS B 7 -5.106 1.915 13.492 1.00 1.96 C ATOM 1601 CE LYS B 7 -6.366 1.180 13.920 1.00 2.84 C ATOM 1602 NZ LYS B 7 -7.410 1.256 12.875 1.00 3.59 N ATOM 0 H LYS B 7 -3.888 1.109 10.033 1.00 0.94 H new ATOM 0 HA LYS B 7 -3.759 3.447 11.530 1.00 1.07 H new ATOM 0 HB2 LYS B 7 -2.231 0.844 11.965 1.00 1.41 H new ATOM 0 HB3 LYS B 7 -2.488 2.084 13.176 1.00 1.41 H new ATOM 0 HG2 LYS B 7 -4.761 0.592 11.825 1.00 1.55 H new ATOM 0 HG3 LYS B 7 -4.016 0.062 13.320 1.00 1.55 H new ATOM 0 HD2 LYS B 7 -4.571 2.293 14.364 1.00 1.96 H new ATOM 0 HD3 LYS B 7 -5.360 2.777 12.875 1.00 1.96 H new ATOM 0 HE2 LYS B 7 -6.129 0.136 14.126 1.00 2.84 H new ATOM 0 HE3 LYS B 7 -6.744 1.610 14.847 1.00 2.84 H new ATOM 0 HZ1 LYS B 7 -8.345 1.332 13.324 1.00 3.59 H new ATOM 0 HZ2 LYS B 7 -7.244 2.091 12.278 1.00 3.59 H new ATOM 0 HZ3 LYS B 7 -7.376 0.399 12.287 1.00 3.59 H new ATOM 1616 N ALA B 8 -0.928 2.715 9.978 1.00 1.06 N ATOM 1617 CA ALA B 8 0.342 3.284 9.520 1.00 1.09 C ATOM 1618 C ALA B 8 0.120 4.664 8.892 1.00 0.90 C ATOM 1619 O ALA B 8 0.672 5.654 9.368 1.00 0.86 O ATOM 1620 CB ALA B 8 1.022 2.316 8.537 1.00 1.24 C ATOM 0 H ALA B 8 -1.163 1.830 9.529 1.00 1.06 H new ATOM 0 HA ALA B 8 1.004 3.420 10.375 1.00 1.09 H new ATOM 0 HB1 ALA B 8 1.966 2.744 8.199 1.00 1.24 H new ATOM 0 HB2 ALA B 8 1.212 1.365 9.035 1.00 1.24 H new ATOM 0 HB3 ALA B 8 0.371 2.152 7.679 1.00 1.24 H new ATOM 1626 N LEU B 9 -0.766 4.732 7.891 1.00 0.81 N ATOM 1627 CA LEU B 9 -1.157 5.964 7.210 1.00 0.71 C ATOM 1628 C LEU B 9 -1.741 6.971 8.208 1.00 0.65 C ATOM 1629 O LEU B 9 -1.283 8.108 8.227 1.00 0.64 O ATOM 1630 CB LEU B 9 -2.143 5.663 6.056 1.00 0.66 C ATOM 1631 CG LEU B 9 -1.568 4.977 4.793 1.00 0.59 C ATOM 1632 CD1 LEU B 9 -0.447 5.803 4.140 1.00 0.75 C ATOM 1633 CD2 LEU B 9 -1.082 3.543 5.048 1.00 0.61 C ATOM 0 H LEU B 9 -1.241 3.907 7.525 1.00 0.81 H new ATOM 0 HA LEU B 9 -0.268 6.416 6.770 1.00 0.71 H new ATOM 0 HB2 LEU B 9 -2.940 5.032 6.449 1.00 0.66 H new ATOM 0 HB3 LEU B 9 -2.602 6.603 5.750 1.00 0.66 H new ATOM 0 HG LEU B 9 -2.407 4.919 4.099 1.00 0.59 H new ATOM 0 HD11 LEU B 9 -0.076 5.280 3.258 1.00 0.75 H new ATOM 0 HD12 LEU B 9 -0.837 6.778 3.847 1.00 0.75 H new ATOM 0 HD13 LEU B 9 0.368 5.937 4.852 1.00 0.75 H new ATOM 0 HD21 LEU B 9 -0.691 3.121 4.122 1.00 0.61 H new ATOM 0 HD22 LEU B 9 -0.295 3.554 5.802 1.00 0.61 H new ATOM 0 HD23 LEU B 9 -1.914 2.934 5.401 1.00 0.61 H new ATOM 1645 N THR B 10 -2.668 6.559 9.086 1.00 0.69 N ATOM 1646 CA THR B 10 -3.261 7.401 10.143 1.00 0.70 C ATOM 1647 C THR B 10 -2.166 8.067 10.968 1.00 0.74 C ATOM 1648 O THR B 10 -2.150 9.290 11.071 1.00 0.78 O ATOM 1649 CB THR B 10 -4.179 6.585 11.061 1.00 0.91 C ATOM 1650 OG1 THR B 10 -5.191 5.953 10.313 1.00 1.12 O ATOM 1651 CG2 THR B 10 -4.880 7.473 12.090 1.00 1.24 C ATOM 0 H THR B 10 -3.037 5.608 9.083 1.00 0.69 H new ATOM 0 HA THR B 10 -3.862 8.168 9.655 1.00 0.70 H new ATOM 0 HB THR B 10 -3.544 5.855 11.563 1.00 0.91 H new ATOM 0 HG1 THR B 10 -4.804 5.215 9.797 1.00 1.12 H new ATOM 0 HG21 THR B 10 -5.522 6.860 12.723 1.00 1.24 H new ATOM 0 HG22 THR B 10 -4.134 7.974 12.707 1.00 1.24 H new ATOM 0 HG23 THR B 10 -5.485 8.219 11.575 1.00 1.24 H new ATOM 1659 N THR B 11 -1.215 7.283 11.489 1.00 0.76 N ATOM 1660 CA THR B 11 -0.099 7.781 12.304 1.00 0.78 C ATOM 1661 C THR B 11 0.732 8.768 11.504 1.00 0.75 C ATOM 1662 O THR B 11 1.001 9.865 11.990 1.00 0.77 O ATOM 1663 CB THR B 11 0.772 6.622 12.789 1.00 0.87 C ATOM 1664 OG1 THR B 11 -0.025 5.687 13.472 1.00 0.97 O ATOM 1665 CG2 THR B 11 1.873 7.085 13.744 1.00 0.93 C ATOM 0 H THR B 11 -1.198 6.272 11.355 1.00 0.76 H new ATOM 0 HA THR B 11 -0.507 8.291 13.177 1.00 0.78 H new ATOM 0 HB THR B 11 1.236 6.182 11.906 1.00 0.87 H new ATOM 0 HG1 THR B 11 -0.522 5.146 12.824 1.00 0.97 H new ATOM 0 HG21 THR B 11 2.465 6.226 14.061 1.00 0.93 H new ATOM 0 HG22 THR B 11 2.518 7.802 13.236 1.00 0.93 H new ATOM 0 HG23 THR B 11 1.423 7.557 14.617 1.00 0.93 H new ATOM 1673 N MET B 12 1.101 8.402 10.271 1.00 0.76 N ATOM 1674 CA MET B 12 1.878 9.252 9.366 1.00 0.76 C ATOM 1675 C MET B 12 1.164 10.573 9.054 1.00 0.77 C ATOM 1676 O MET B 12 1.817 11.613 9.100 1.00 0.88 O ATOM 1677 CB MET B 12 2.199 8.484 8.075 1.00 0.77 C ATOM 1678 CG MET B 12 3.235 7.376 8.304 1.00 0.87 C ATOM 1679 SD MET B 12 3.285 6.148 6.969 1.00 1.02 S ATOM 1680 CE MET B 12 5.055 5.774 6.941 1.00 0.99 C ATOM 0 H MET B 12 0.864 7.495 9.870 1.00 0.76 H new ATOM 0 HA MET B 12 2.809 9.511 9.870 1.00 0.76 H new ATOM 0 HB2 MET B 12 1.283 8.047 7.677 1.00 0.77 H new ATOM 0 HB3 MET B 12 2.573 9.179 7.324 1.00 0.77 H new ATOM 0 HG2 MET B 12 4.221 7.828 8.409 1.00 0.87 H new ATOM 0 HG3 MET B 12 3.014 6.871 9.244 1.00 0.87 H new ATOM 0 HE1 MET B 12 5.205 4.750 6.598 1.00 0.99 H new ATOM 0 HE2 MET B 12 5.561 6.461 6.264 1.00 0.99 H new ATOM 0 HE3 MET B 12 5.466 5.885 7.944 1.00 0.99 H new ATOM 1690 N VAL B 13 -0.143 10.568 8.763 1.00 0.71 N ATOM 1691 CA VAL B 13 -0.885 11.800 8.422 1.00 0.75 C ATOM 1692 C VAL B 13 -1.114 12.696 9.644 1.00 0.76 C ATOM 1693 O VAL B 13 -0.991 13.915 9.516 1.00 0.85 O ATOM 1694 CB VAL B 13 -2.211 11.572 7.648 1.00 0.78 C ATOM 1695 CG1 VAL B 13 -1.948 10.925 6.278 1.00 0.83 C ATOM 1696 CG2 VAL B 13 -3.288 10.795 8.411 1.00 0.76 C ATOM 0 H VAL B 13 -0.715 9.724 8.756 1.00 0.71 H new ATOM 0 HA VAL B 13 -0.226 12.320 7.727 1.00 0.75 H new ATOM 0 HB VAL B 13 -2.623 12.572 7.512 1.00 0.78 H new ATOM 0 HG11 VAL B 13 -2.894 10.777 5.758 1.00 0.83 H new ATOM 0 HG12 VAL B 13 -1.306 11.577 5.685 1.00 0.83 H new ATOM 0 HG13 VAL B 13 -1.457 9.962 6.419 1.00 0.83 H new ATOM 0 HG21 VAL B 13 -4.173 10.690 7.784 1.00 0.76 H new ATOM 0 HG22 VAL B 13 -2.908 9.807 8.672 1.00 0.76 H new ATOM 0 HG23 VAL B 13 -3.550 11.335 9.321 1.00 0.76 H new ATOM 1706 N THR B 14 -1.370 12.134 10.838 1.00 0.70 N ATOM 1707 CA THR B 14 -1.499 12.921 12.079 1.00 0.77 C ATOM 1708 C THR B 14 -0.178 13.594 12.448 1.00 0.82 C ATOM 1709 O THR B 14 -0.196 14.782 12.771 1.00 1.02 O ATOM 1710 CB THR B 14 -2.011 12.054 13.234 1.00 0.77 C ATOM 1711 OG1 THR B 14 -3.255 11.512 12.873 1.00 0.93 O ATOM 1712 CG2 THR B 14 -2.238 12.848 14.521 1.00 1.11 C ATOM 0 H THR B 14 -1.493 11.130 10.971 1.00 0.70 H new ATOM 0 HA THR B 14 -2.234 13.705 11.896 1.00 0.77 H new ATOM 0 HB THR B 14 -1.251 11.295 13.418 1.00 0.77 H new ATOM 0 HG1 THR B 14 -3.118 10.753 12.268 1.00 0.93 H new ATOM 0 HG21 THR B 14 -2.600 12.179 15.302 1.00 1.11 H new ATOM 0 HG22 THR B 14 -1.299 13.302 14.839 1.00 1.11 H new ATOM 0 HG23 THR B 14 -2.976 13.629 14.341 1.00 1.11 H new ATOM 1720 N THR B 15 0.955 12.887 12.338 1.00 0.74 N ATOM 1721 CA THR B 15 2.293 13.464 12.564 1.00 0.81 C ATOM 1722 C THR B 15 2.649 14.492 11.489 1.00 0.83 C ATOM 1723 O THR B 15 3.096 15.582 11.819 1.00 1.02 O ATOM 1724 CB THR B 15 3.372 12.379 12.736 1.00 0.83 C ATOM 1725 OG1 THR B 15 3.240 11.349 11.783 1.00 1.64 O ATOM 1726 CG2 THR B 15 3.288 11.721 14.111 1.00 1.00 C ATOM 0 H THR B 15 0.973 11.898 12.090 1.00 0.74 H new ATOM 0 HA THR B 15 2.260 14.003 13.511 1.00 0.81 H new ATOM 0 HB THR B 15 4.325 12.892 12.609 1.00 0.83 H new ATOM 0 HG1 THR B 15 2.588 10.690 12.102 1.00 1.64 H new ATOM 0 HG21 THR B 15 4.064 10.960 14.198 1.00 1.00 H new ATOM 0 HG22 THR B 15 3.431 12.475 14.885 1.00 1.00 H new ATOM 0 HG23 THR B 15 2.309 11.257 14.233 1.00 1.00 H new ATOM 1734 N PHE B 16 2.363 14.227 10.215 1.00 0.69 N ATOM 1735 CA PHE B 16 2.582 15.177 9.110 1.00 0.70 C ATOM 1736 C PHE B 16 1.746 16.465 9.249 1.00 0.70 C ATOM 1737 O PHE B 16 2.242 17.563 8.983 1.00 0.84 O ATOM 1738 CB PHE B 16 2.292 14.405 7.819 1.00 0.68 C ATOM 1739 CG PHE B 16 2.573 15.076 6.492 1.00 0.77 C ATOM 1740 CD1 PHE B 16 3.895 15.279 6.042 1.00 2.13 C ATOM 1741 CD2 PHE B 16 1.502 15.361 5.632 1.00 2.10 C ATOM 1742 CE1 PHE B 16 4.132 15.804 4.757 1.00 2.18 C ATOM 1743 CE2 PHE B 16 1.742 15.887 4.353 1.00 2.18 C ATOM 1744 CZ PHE B 16 3.055 16.155 3.924 1.00 1.06 C ATOM 0 H PHE B 16 1.968 13.337 9.911 1.00 0.69 H new ATOM 0 HA PHE B 16 3.609 15.542 9.113 1.00 0.70 H new ATOM 0 HB2 PHE B 16 2.868 13.480 7.850 1.00 0.68 H new ATOM 0 HB3 PHE B 16 1.239 14.125 7.831 1.00 0.68 H new ATOM 0 HD1 PHE B 16 4.727 15.031 6.685 1.00 2.13 H new ATOM 0 HD2 PHE B 16 0.488 15.175 5.955 1.00 2.10 H new ATOM 0 HE1 PHE B 16 5.146 15.938 4.410 1.00 2.18 H new ATOM 0 HE2 PHE B 16 0.912 16.088 3.692 1.00 2.18 H new ATOM 0 HZ PHE B 16 3.233 16.624 2.968 1.00 1.06 H new ATOM 1754 N HIS B 17 0.499 16.362 9.729 1.00 0.63 N ATOM 1755 CA HIS B 17 -0.362 17.513 10.030 1.00 0.64 C ATOM 1756 C HIS B 17 0.205 18.411 11.160 1.00 0.77 C ATOM 1757 O HIS B 17 -0.031 19.624 11.180 1.00 0.92 O ATOM 1758 CB HIS B 17 -1.779 17.011 10.341 1.00 0.69 C ATOM 1759 CG HIS B 17 -2.841 18.077 10.227 1.00 1.01 C ATOM 1760 ND1 HIS B 17 -2.798 19.344 10.766 1.00 2.17 N ATOM 1761 CD2 HIS B 17 -4.020 17.979 9.535 1.00 1.35 C ATOM 1762 CE1 HIS B 17 -3.931 19.981 10.419 1.00 2.32 C ATOM 1763 NE2 HIS B 17 -4.707 19.188 9.666 1.00 1.73 N ATOM 0 H HIS B 17 0.054 15.464 9.922 1.00 0.63 H new ATOM 0 HA HIS B 17 -0.397 18.157 9.151 1.00 0.64 H new ATOM 0 HB2 HIS B 17 -2.023 16.194 9.661 1.00 0.69 H new ATOM 0 HB3 HIS B 17 -1.796 16.601 11.351 1.00 0.69 H new ATOM 0 HD1 HIS B 17 -2.041 19.731 11.329 1.00 2.17 H new ATOM 0 HD2 HIS B 17 -4.360 17.115 8.983 1.00 1.35 H new ATOM 0 HE1 HIS B 17 -4.181 20.991 10.707 1.00 2.32 H new ATOM 1772 N LYS B 18 0.970 17.850 12.101 1.00 0.83 N ATOM 1773 CA LYS B 18 1.475 18.562 13.286 1.00 0.88 C ATOM 1774 C LYS B 18 2.513 19.661 12.971 1.00 0.89 C ATOM 1775 O LYS B 18 2.735 20.529 13.815 1.00 1.06 O ATOM 1776 CB LYS B 18 1.964 17.489 14.276 1.00 0.94 C ATOM 1777 CG LYS B 18 2.508 18.006 15.613 1.00 1.64 C ATOM 1778 CD LYS B 18 2.521 16.854 16.631 1.00 2.22 C ATOM 1779 CE LYS B 18 3.477 17.093 17.805 1.00 3.36 C ATOM 1780 NZ LYS B 18 4.867 16.766 17.417 1.00 4.32 N ATOM 0 H LYS B 18 1.262 16.873 12.063 1.00 0.83 H new ATOM 0 HA LYS B 18 0.673 19.144 13.740 1.00 0.88 H new ATOM 0 HB2 LYS B 18 1.137 16.809 14.481 1.00 0.94 H new ATOM 0 HB3 LYS B 18 2.745 16.904 13.790 1.00 0.94 H new ATOM 0 HG2 LYS B 18 3.515 18.402 15.481 1.00 1.64 H new ATOM 0 HG3 LYS B 18 1.889 18.825 15.980 1.00 1.64 H new ATOM 0 HD2 LYS B 18 1.512 16.708 17.017 1.00 2.22 H new ATOM 0 HD3 LYS B 18 2.804 15.932 16.123 1.00 2.22 H new ATOM 0 HE2 LYS B 18 3.418 18.134 18.124 1.00 3.36 H new ATOM 0 HE3 LYS B 18 3.177 16.481 18.656 1.00 3.36 H new ATOM 0 HZ1 LYS B 18 5.219 15.988 18.010 1.00 4.32 H new ATOM 0 HZ2 LYS B 18 4.890 16.478 16.418 1.00 4.32 H new ATOM 0 HZ3 LYS B 18 5.470 17.603 17.550 1.00 4.32 H new ATOM 1794 N TYR B 19 3.115 19.655 11.777 1.00 0.79 N ATOM 1795 CA TYR B 19 4.164 20.602 11.339 1.00 0.86 C ATOM 1796 C TYR B 19 3.736 21.438 10.114 1.00 1.01 C ATOM 1797 O TYR B 19 3.882 22.657 10.110 1.00 1.56 O ATOM 1798 CB TYR B 19 5.431 19.782 11.054 1.00 0.86 C ATOM 1799 CG TYR B 19 5.996 19.108 12.290 1.00 0.84 C ATOM 1800 CD1 TYR B 19 5.473 17.871 12.711 1.00 1.62 C ATOM 1801 CD2 TYR B 19 7.009 19.724 13.047 1.00 2.16 C ATOM 1802 CE1 TYR B 19 5.928 17.266 13.893 1.00 1.65 C ATOM 1803 CE2 TYR B 19 7.468 19.131 14.235 1.00 2.18 C ATOM 1804 CZ TYR B 19 6.910 17.911 14.673 1.00 0.91 C ATOM 1805 OH TYR B 19 7.302 17.378 15.854 1.00 1.01 O ATOM 0 H TYR B 19 2.882 18.969 11.059 1.00 0.79 H new ATOM 0 HA TYR B 19 4.350 21.332 12.127 1.00 0.86 H new ATOM 0 HB2 TYR B 19 5.204 19.023 10.305 1.00 0.86 H new ATOM 0 HB3 TYR B 19 6.190 20.436 10.625 1.00 0.86 H new ATOM 0 HD1 TYR B 19 4.714 17.382 12.118 1.00 1.62 H new ATOM 0 HD2 TYR B 19 7.436 20.658 12.713 1.00 2.16 H new ATOM 0 HE1 TYR B 19 5.528 16.312 14.203 1.00 1.65 H new ATOM 0 HE2 TYR B 19 8.246 19.608 14.812 1.00 2.18 H new ATOM 0 HH TYR B 19 7.271 18.067 16.550 1.00 1.01 H new ATOM 1815 N SER B 20 3.071 20.828 9.129 1.00 0.99 N ATOM 1816 CA SER B 20 2.341 21.568 8.072 1.00 0.97 C ATOM 1817 C SER B 20 1.353 22.591 8.655 1.00 1.26 C ATOM 1818 O SER B 20 1.373 23.777 8.298 1.00 1.83 O ATOM 1819 CB SER B 20 1.578 20.577 7.176 1.00 0.86 C ATOM 1820 OG SER B 20 0.858 19.611 7.916 1.00 1.40 O ATOM 0 H SER B 20 3.018 19.814 9.033 1.00 0.99 H new ATOM 0 HA SER B 20 3.081 22.115 7.488 1.00 0.97 H new ATOM 0 HB2 SER B 20 0.887 21.129 6.538 1.00 0.86 H new ATOM 0 HB3 SER B 20 2.284 20.071 6.518 1.00 0.86 H new ATOM 0 HG SER B 20 1.460 18.884 8.178 1.00 1.40 H new ATOM 1826 N GLY B 21 0.572 22.153 9.653 1.00 1.21 N ATOM 1827 CA GLY B 21 -0.420 22.962 10.355 1.00 1.55 C ATOM 1828 C GLY B 21 0.172 24.063 11.238 1.00 1.87 C ATOM 1829 O GLY B 21 -0.606 24.835 11.791 1.00 2.11 O ATOM 0 H GLY B 21 0.619 21.195 10.000 1.00 1.21 H new ATOM 0 HA2 GLY B 21 -1.083 23.419 9.621 1.00 1.55 H new ATOM 0 HA3 GLY B 21 -1.033 22.307 10.974 1.00 1.55 H new ATOM 1832 N ARG B 22 1.507 24.164 11.365 1.00 2.15 N ATOM 1833 CA ARG B 22 2.176 25.318 11.987 1.00 2.51 C ATOM 1834 C ARG B 22 2.916 26.229 10.993 1.00 3.24 C ATOM 1835 O ARG B 22 3.574 27.177 11.415 1.00 4.21 O ATOM 1836 CB ARG B 22 2.890 24.915 13.290 1.00 2.74 C ATOM 1837 CG ARG B 22 4.271 24.274 13.170 1.00 2.86 C ATOM 1838 CD ARG B 22 5.400 25.307 13.144 1.00 2.69 C ATOM 1839 NE ARG B 22 6.220 25.166 11.947 1.00 2.89 N ATOM 1840 CZ ARG B 22 6.795 26.097 11.201 1.00 3.68 C ATOM 1841 NH1 ARG B 22 6.345 27.330 11.154 1.00 4.27 N ATOM 1842 NH2 ARG B 22 7.834 25.788 10.460 1.00 4.79 N ATOM 0 H ARG B 22 2.153 23.445 11.038 1.00 2.15 H new ATOM 0 HA ARG B 22 1.417 26.020 12.331 1.00 2.51 H new ATOM 0 HB2 ARG B 22 2.986 25.806 13.910 1.00 2.74 H new ATOM 0 HB3 ARG B 22 2.243 24.221 13.827 1.00 2.74 H new ATOM 0 HG2 ARG B 22 4.426 23.594 14.007 1.00 2.86 H new ATOM 0 HG3 ARG B 22 4.311 23.674 12.261 1.00 2.86 H new ATOM 0 HD2 ARG B 22 4.978 26.311 13.182 1.00 2.69 H new ATOM 0 HD3 ARG B 22 6.023 25.190 14.030 1.00 2.69 H new ATOM 0 HE ARG B 22 6.374 24.206 11.638 1.00 2.89 H new ATOM 0 HH11 ARG B 22 5.528 27.596 11.703 1.00 4.27 H new ATOM 0 HH12 ARG B 22 6.813 28.022 10.568 1.00 4.27 H new ATOM 0 HH21 ARG B 22 8.195 24.834 10.460 1.00 4.79 H new ATOM 0 HH22 ARG B 22 8.280 26.502 9.884 1.00 4.79 H new ATOM 1856 N GLU B 23 2.754 25.987 9.685 1.00 2.88 N ATOM 1857 CA GLU B 23 3.202 26.869 8.595 1.00 3.37 C ATOM 1858 C GLU B 23 2.038 27.559 7.874 1.00 3.05 C ATOM 1859 O GLU B 23 1.975 28.787 7.874 1.00 3.99 O ATOM 1860 CB GLU B 23 4.070 26.083 7.593 1.00 3.70 C ATOM 1861 CG GLU B 23 5.367 25.692 8.293 1.00 4.99 C ATOM 1862 CD GLU B 23 6.473 25.223 7.363 1.00 6.05 C ATOM 1863 OE1 GLU B 23 6.218 24.333 6.525 1.00 6.77 O ATOM 1864 OE2 GLU B 23 7.599 25.746 7.547 1.00 6.71 O ATOM 0 H GLU B 23 2.292 25.144 9.344 1.00 2.88 H new ATOM 0 HA GLU B 23 3.801 27.658 9.050 1.00 3.37 H new ATOM 0 HB2 GLU B 23 3.542 25.195 7.247 1.00 3.70 H new ATOM 0 HB3 GLU B 23 4.281 26.691 6.713 1.00 3.70 H new ATOM 0 HG2 GLU B 23 5.729 26.548 8.863 1.00 4.99 H new ATOM 0 HG3 GLU B 23 5.153 24.899 9.010 1.00 4.99 H new ATOM 1871 N GLY B 24 1.110 26.796 7.279 1.00 2.89 N ATOM 1872 CA GLY B 24 0.033 27.377 6.457 1.00 2.99 C ATOM 1873 C GLY B 24 -0.675 26.418 5.503 1.00 2.43 C ATOM 1874 O GLY B 24 -1.259 26.848 4.516 1.00 2.73 O ATOM 0 H GLY B 24 1.081 25.779 7.350 1.00 2.89 H new ATOM 0 HA2 GLY B 24 -0.712 27.810 7.124 1.00 2.99 H new ATOM 0 HA3 GLY B 24 0.451 28.196 5.872 1.00 2.99 H new ATOM 1877 N SER B 25 -0.637 25.117 5.779 1.00 2.45 N ATOM 1878 CA SER B 25 -1.185 24.048 4.941 1.00 2.11 C ATOM 1879 C SER B 25 -1.578 22.866 5.842 1.00 2.07 C ATOM 1880 O SER B 25 -1.149 22.802 6.989 1.00 2.97 O ATOM 1881 CB SER B 25 -0.126 23.661 3.897 1.00 2.42 C ATOM 1882 OG SER B 25 -0.467 22.522 3.117 1.00 2.91 O ATOM 0 H SER B 25 -0.204 24.761 6.631 1.00 2.45 H new ATOM 0 HA SER B 25 -2.081 24.371 4.410 1.00 2.11 H new ATOM 0 HB2 SER B 25 0.038 24.508 3.231 1.00 2.42 H new ATOM 0 HB3 SER B 25 0.818 23.469 4.407 1.00 2.42 H new ATOM 0 HG SER B 25 0.287 22.284 2.538 1.00 2.91 H new ATOM 1888 N LYS B 26 -2.422 21.936 5.381 1.00 1.43 N ATOM 1889 CA LYS B 26 -2.744 20.708 6.122 1.00 1.33 C ATOM 1890 C LYS B 26 -2.200 19.441 5.420 1.00 1.19 C ATOM 1891 O LYS B 26 -2.195 18.359 6.003 1.00 1.32 O ATOM 1892 CB LYS B 26 -4.270 20.690 6.338 1.00 1.28 C ATOM 1893 CG LYS B 26 -4.710 21.863 7.243 1.00 1.65 C ATOM 1894 CD LYS B 26 -6.215 21.892 7.538 1.00 1.93 C ATOM 1895 CE LYS B 26 -7.026 22.386 6.330 1.00 1.59 C ATOM 1896 NZ LYS B 26 -8.486 22.216 6.522 1.00 2.50 N ATOM 0 H LYS B 26 -2.902 22.012 4.484 1.00 1.43 H new ATOM 0 HA LYS B 26 -2.247 20.702 7.092 1.00 1.33 H new ATOM 0 HB2 LYS B 26 -4.779 20.756 5.376 1.00 1.28 H new ATOM 0 HB3 LYS B 26 -4.567 19.744 6.791 1.00 1.28 H new ATOM 0 HG2 LYS B 26 -4.166 21.805 8.186 1.00 1.65 H new ATOM 0 HG3 LYS B 26 -4.425 22.802 6.768 1.00 1.65 H new ATOM 0 HD2 LYS B 26 -6.550 20.893 7.816 1.00 1.93 H new ATOM 0 HD3 LYS B 26 -6.405 22.541 8.393 1.00 1.93 H new ATOM 0 HE2 LYS B 26 -6.806 23.439 6.154 1.00 1.59 H new ATOM 0 HE3 LYS B 26 -6.714 21.842 5.439 1.00 1.59 H new ATOM 0 HZ1 LYS B 26 -8.953 22.149 5.595 1.00 2.50 H new ATOM 0 HZ2 LYS B 26 -8.666 21.347 7.063 1.00 2.50 H new ATOM 0 HZ3 LYS B 26 -8.865 23.033 7.043 1.00 2.50 H new ATOM 1910 N LEU B 27 -1.716 19.593 4.173 1.00 1.11 N ATOM 1911 CA LEU B 27 -1.198 18.513 3.307 1.00 1.08 C ATOM 1912 C LEU B 27 0.244 18.734 2.796 1.00 0.92 C ATOM 1913 O LEU B 27 0.783 17.844 2.140 1.00 0.91 O ATOM 1914 CB LEU B 27 -2.092 18.342 2.067 1.00 1.36 C ATOM 1915 CG LEU B 27 -3.604 18.116 2.239 1.00 1.87 C ATOM 1916 CD1 LEU B 27 -4.106 17.547 0.903 1.00 2.08 C ATOM 1917 CD2 LEU B 27 -3.990 17.191 3.408 1.00 2.70 C ATOM 0 H LEU B 27 -1.673 20.507 3.722 1.00 1.11 H new ATOM 0 HA LEU B 27 -1.199 17.629 3.945 1.00 1.08 H new ATOM 0 HB2 LEU B 27 -1.964 19.231 1.449 1.00 1.36 H new ATOM 0 HB3 LEU B 27 -1.700 17.499 1.498 1.00 1.36 H new ATOM 0 HG LEU B 27 -4.072 19.067 2.495 1.00 1.87 H new ATOM 0 HD11 LEU B 27 -5.179 17.365 0.965 1.00 2.08 H new ATOM 0 HD12 LEU B 27 -3.904 18.261 0.105 1.00 2.08 H new ATOM 0 HD13 LEU B 27 -3.591 16.610 0.690 1.00 2.08 H new ATOM 0 HD21 LEU B 27 -5.075 17.091 3.450 1.00 2.70 H new ATOM 0 HD22 LEU B 27 -3.541 16.209 3.259 1.00 2.70 H new ATOM 0 HD23 LEU B 27 -3.628 17.617 4.344 1.00 2.70 H new ATOM 1929 N THR B 28 0.856 19.893 3.047 1.00 0.90 N ATOM 1930 CA THR B 28 2.224 20.234 2.620 1.00 0.78 C ATOM 1931 C THR B 28 2.956 21.057 3.673 1.00 0.75 C ATOM 1932 O THR B 28 2.328 21.621 4.567 1.00 0.89 O ATOM 1933 CB THR B 28 2.261 20.968 1.271 1.00 0.81 C ATOM 1934 OG1 THR B 28 1.596 22.210 1.377 1.00 0.87 O ATOM 1935 CG2 THR B 28 1.641 20.195 0.111 1.00 0.98 C ATOM 0 H THR B 28 0.405 20.645 3.568 1.00 0.90 H new ATOM 0 HA THR B 28 2.738 19.281 2.495 1.00 0.78 H new ATOM 0 HB THR B 28 3.320 21.092 1.044 1.00 0.81 H new ATOM 0 HG1 THR B 28 1.814 22.765 0.599 1.00 0.87 H new ATOM 0 HG21 THR B 28 1.711 20.788 -0.801 1.00 0.98 H new ATOM 0 HG22 THR B 28 2.175 19.255 -0.026 1.00 0.98 H new ATOM 0 HG23 THR B 28 0.593 19.989 0.330 1.00 0.98 H new ATOM 1943 N LEU B 29 4.287 21.114 3.573 1.00 0.68 N ATOM 1944 CA LEU B 29 5.200 21.770 4.525 1.00 0.66 C ATOM 1945 C LEU B 29 6.572 22.034 3.894 1.00 0.67 C ATOM 1946 O LEU B 29 6.943 21.382 2.920 1.00 0.70 O ATOM 1947 CB LEU B 29 5.285 20.964 5.846 1.00 0.66 C ATOM 1948 CG LEU B 29 6.122 19.666 5.871 1.00 0.69 C ATOM 1949 CD1 LEU B 29 5.855 18.921 7.191 1.00 0.89 C ATOM 1950 CD2 LEU B 29 5.811 18.687 4.738 1.00 0.80 C ATOM 0 H LEU B 29 4.784 20.686 2.792 1.00 0.68 H new ATOM 0 HA LEU B 29 4.793 22.749 4.779 1.00 0.66 H new ATOM 0 HB2 LEU B 29 5.682 21.628 6.613 1.00 0.66 H new ATOM 0 HB3 LEU B 29 4.268 20.707 6.142 1.00 0.66 H new ATOM 0 HG LEU B 29 7.158 19.986 5.758 1.00 0.69 H new ATOM 0 HD11 LEU B 29 6.443 18.003 7.216 1.00 0.89 H new ATOM 0 HD12 LEU B 29 6.138 19.556 8.031 1.00 0.89 H new ATOM 0 HD13 LEU B 29 4.795 18.676 7.262 1.00 0.89 H new ATOM 0 HD21 LEU B 29 6.445 17.805 4.835 1.00 0.80 H new ATOM 0 HD22 LEU B 29 4.764 18.389 4.792 1.00 0.80 H new ATOM 0 HD23 LEU B 29 6.002 19.168 3.779 1.00 0.80 H new ATOM 1962 N SER B 30 7.337 22.991 4.403 1.00 0.77 N ATOM 1963 CA SER B 30 8.647 23.306 3.838 1.00 0.87 C ATOM 1964 C SER B 30 9.718 22.253 4.189 1.00 0.79 C ATOM 1965 O SER B 30 9.608 21.524 5.181 1.00 0.77 O ATOM 1966 CB SER B 30 9.104 24.715 4.234 1.00 1.13 C ATOM 1967 OG SER B 30 10.083 25.121 3.294 1.00 3.20 O ATOM 0 H SER B 30 7.075 23.563 5.206 1.00 0.77 H new ATOM 0 HA SER B 30 8.528 23.280 2.755 1.00 0.87 H new ATOM 0 HB2 SER B 30 8.261 25.406 4.234 1.00 1.13 H new ATOM 0 HB3 SER B 30 9.517 24.716 5.243 1.00 1.13 H new ATOM 0 HG SER B 30 10.956 24.759 3.554 1.00 3.20 H new ATOM 1973 N ARG B 31 10.808 22.191 3.409 1.00 0.81 N ATOM 1974 CA ARG B 31 11.896 21.218 3.624 1.00 0.78 C ATOM 1975 C ARG B 31 12.450 21.231 5.055 1.00 0.71 C ATOM 1976 O ARG B 31 12.904 20.198 5.542 1.00 0.81 O ATOM 1977 CB ARG B 31 13.102 21.418 2.698 1.00 0.96 C ATOM 1978 CG ARG B 31 12.938 22.089 1.329 1.00 1.52 C ATOM 1979 CD ARG B 31 12.346 21.129 0.309 1.00 1.47 C ATOM 1980 NE ARG B 31 13.326 20.093 -0.091 1.00 1.77 N ATOM 1981 CZ ARG B 31 13.047 18.924 -0.659 1.00 2.03 C ATOM 1982 NH1 ARG B 31 11.837 18.597 -1.058 1.00 2.44 N ATOM 1983 NH2 ARG B 31 13.987 18.029 -0.841 1.00 2.67 N ATOM 0 H ARG B 31 10.962 22.811 2.614 1.00 0.81 H new ATOM 0 HA ARG B 31 11.408 20.268 3.406 1.00 0.78 H new ATOM 0 HB2 ARG B 31 13.839 21.998 3.253 1.00 0.96 H new ATOM 0 HB3 ARG B 31 13.538 20.434 2.522 1.00 0.96 H new ATOM 0 HG2 ARG B 31 12.294 22.963 1.425 1.00 1.52 H new ATOM 0 HG3 ARG B 31 13.907 22.444 0.978 1.00 1.52 H new ATOM 0 HD2 ARG B 31 11.460 20.652 0.728 1.00 1.47 H new ATOM 0 HD3 ARG B 31 12.022 21.685 -0.571 1.00 1.47 H new ATOM 0 HE ARG B 31 14.310 20.296 0.086 1.00 1.77 H new ATOM 0 HH11 ARG B 31 11.065 19.253 -0.936 1.00 2.44 H new ATOM 0 HH12 ARG B 31 11.670 17.688 -1.489 1.00 2.44 H new ATOM 0 HH21 ARG B 31 14.943 18.226 -0.546 1.00 2.67 H new ATOM 0 HH22 ARG B 31 13.762 17.135 -1.278 1.00 2.67 H new ATOM 1997 N LYS B 32 12.444 22.400 5.716 1.00 0.71 N ATOM 1998 CA LYS B 32 12.814 22.536 7.130 1.00 0.77 C ATOM 1999 C LYS B 32 11.945 21.640 8.031 1.00 0.86 C ATOM 2000 O LYS B 32 12.502 20.838 8.786 1.00 1.07 O ATOM 2001 CB LYS B 32 12.709 24.020 7.538 1.00 1.05 C ATOM 2002 CG LYS B 32 13.713 24.947 6.825 1.00 1.81 C ATOM 2003 CD LYS B 32 14.890 25.406 7.704 1.00 2.00 C ATOM 2004 CE LYS B 32 15.892 24.292 8.042 1.00 3.21 C ATOM 2005 NZ LYS B 32 16.784 23.976 6.897 1.00 4.49 N ATOM 0 H LYS B 32 12.180 23.283 5.279 1.00 0.71 H new ATOM 0 HA LYS B 32 13.843 22.202 7.262 1.00 0.77 H new ATOM 0 HB2 LYS B 32 11.698 24.371 7.331 1.00 1.05 H new ATOM 0 HB3 LYS B 32 12.860 24.100 8.615 1.00 1.05 H new ATOM 0 HG2 LYS B 32 14.108 24.430 5.951 1.00 1.81 H new ATOM 0 HG3 LYS B 32 13.182 25.827 6.462 1.00 1.81 H new ATOM 0 HD2 LYS B 32 15.418 26.212 7.194 1.00 2.00 H new ATOM 0 HD3 LYS B 32 14.496 25.820 8.632 1.00 2.00 H new ATOM 0 HE2 LYS B 32 16.495 24.595 8.898 1.00 3.21 H new ATOM 0 HE3 LYS B 32 15.349 23.394 8.337 1.00 3.21 H new ATOM 0 HZ1 LYS B 32 16.940 22.949 6.851 1.00 4.49 H new ATOM 0 HZ2 LYS B 32 16.342 24.299 6.013 1.00 4.49 H new ATOM 0 HZ3 LYS B 32 17.696 24.459 7.024 1.00 4.49 H new ATOM 2019 N GLU B 33 10.617 21.701 7.880 1.00 0.87 N ATOM 2020 CA GLU B 33 9.690 20.938 8.717 1.00 0.99 C ATOM 2021 C GLU B 33 9.811 19.429 8.538 1.00 0.98 C ATOM 2022 O GLU B 33 9.685 18.733 9.533 1.00 1.05 O ATOM 2023 CB GLU B 33 8.228 21.318 8.479 1.00 1.22 C ATOM 2024 CG GLU B 33 7.831 22.684 9.012 1.00 1.24 C ATOM 2025 CD GLU B 33 8.108 22.853 10.504 1.00 1.56 C ATOM 2026 OE1 GLU B 33 9.194 23.382 10.814 1.00 2.39 O ATOM 2027 OE2 GLU B 33 7.197 22.636 11.325 1.00 2.59 O ATOM 0 H GLU B 33 10.158 22.279 7.176 1.00 0.87 H new ATOM 0 HA GLU B 33 9.983 21.203 9.733 1.00 0.99 H new ATOM 0 HB2 GLU B 33 8.029 21.290 7.408 1.00 1.22 H new ATOM 0 HB3 GLU B 33 7.591 20.564 8.941 1.00 1.22 H new ATOM 0 HG2 GLU B 33 8.371 23.453 8.460 1.00 1.24 H new ATOM 0 HG3 GLU B 33 6.769 22.844 8.826 1.00 1.24 H new ATOM 2034 N LEU B 34 10.097 18.890 7.343 1.00 0.94 N ATOM 2035 CA LEU B 34 10.261 17.435 7.202 1.00 0.94 C ATOM 2036 C LEU B 34 11.413 16.910 8.076 1.00 0.84 C ATOM 2037 O LEU B 34 11.237 15.912 8.783 1.00 0.81 O ATOM 2038 CB LEU B 34 10.394 17.020 5.722 1.00 1.00 C ATOM 2039 CG LEU B 34 10.657 15.502 5.551 1.00 1.03 C ATOM 2040 CD1 LEU B 34 9.541 14.632 6.140 1.00 1.23 C ATOM 2041 CD2 LEU B 34 10.812 15.090 4.082 1.00 1.31 C ATOM 0 H LEU B 34 10.217 19.423 6.481 1.00 0.94 H new ATOM 0 HA LEU B 34 9.353 16.959 7.573 1.00 0.94 H new ATOM 0 HB2 LEU B 34 9.482 17.289 5.189 1.00 1.00 H new ATOM 0 HB3 LEU B 34 11.209 17.580 5.263 1.00 1.00 H new ATOM 0 HG LEU B 34 11.588 15.335 6.092 1.00 1.03 H new ATOM 0 HD11 LEU B 34 9.782 13.580 5.990 1.00 1.23 H new ATOM 0 HD12 LEU B 34 9.447 14.834 7.207 1.00 1.23 H new ATOM 0 HD13 LEU B 34 8.599 14.863 5.643 1.00 1.23 H new ATOM 0 HD21 LEU B 34 10.994 14.017 4.022 1.00 1.31 H new ATOM 0 HD22 LEU B 34 9.900 15.334 3.538 1.00 1.31 H new ATOM 0 HD23 LEU B 34 11.652 15.626 3.641 1.00 1.31 H new ATOM 2053 N LYS B 35 12.576 17.572 8.097 1.00 0.83 N ATOM 2054 CA LYS B 35 13.661 17.133 8.985 1.00 0.83 C ATOM 2055 C LYS B 35 13.335 17.360 10.477 1.00 0.75 C ATOM 2056 O LYS B 35 13.701 16.526 11.304 1.00 0.82 O ATOM 2057 CB LYS B 35 15.034 17.683 8.524 1.00 1.14 C ATOM 2058 CG LYS B 35 15.635 18.833 9.352 1.00 0.99 C ATOM 2059 CD LYS B 35 17.045 19.206 8.858 1.00 1.40 C ATOM 2060 CE LYS B 35 18.136 18.274 9.423 1.00 2.32 C ATOM 2061 NZ LYS B 35 19.371 18.287 8.598 1.00 3.36 N ATOM 0 H LYS B 35 12.788 18.391 7.527 1.00 0.83 H new ATOM 0 HA LYS B 35 13.747 16.050 8.898 1.00 0.83 H new ATOM 0 HB2 LYS B 35 15.747 16.858 8.521 1.00 1.14 H new ATOM 0 HB3 LYS B 35 14.935 18.022 7.493 1.00 1.14 H new ATOM 0 HG2 LYS B 35 14.984 19.705 9.291 1.00 0.99 H new ATOM 0 HG3 LYS B 35 15.681 18.542 10.401 1.00 0.99 H new ATOM 0 HD2 LYS B 35 17.067 19.167 7.769 1.00 1.40 H new ATOM 0 HD3 LYS B 35 17.266 20.234 9.144 1.00 1.40 H new ATOM 0 HE2 LYS B 35 18.379 18.578 10.441 1.00 2.32 H new ATOM 0 HE3 LYS B 35 17.749 17.257 9.478 1.00 2.32 H new ATOM 0 HZ1 LYS B 35 19.878 17.387 8.718 1.00 3.36 H new ATOM 0 HZ2 LYS B 35 19.118 18.411 7.597 1.00 3.36 H new ATOM 0 HZ3 LYS B 35 19.982 19.072 8.900 1.00 3.36 H new ATOM 2075 N GLU B 36 12.629 18.446 10.808 1.00 0.73 N ATOM 2076 CA GLU B 36 12.200 18.770 12.172 1.00 0.73 C ATOM 2077 C GLU B 36 11.184 17.735 12.688 1.00 0.63 C ATOM 2078 O GLU B 36 11.361 17.173 13.769 1.00 0.69 O ATOM 2079 CB GLU B 36 11.633 20.208 12.162 1.00 0.99 C ATOM 2080 CG GLU B 36 11.288 20.809 13.530 1.00 1.29 C ATOM 2081 CD GLU B 36 12.502 21.163 14.388 1.00 1.77 C ATOM 2082 OE1 GLU B 36 13.589 20.559 14.237 1.00 2.63 O ATOM 2083 OE2 GLU B 36 12.348 21.908 15.378 1.00 2.42 O ATOM 0 H GLU B 36 12.334 19.139 10.120 1.00 0.73 H new ATOM 0 HA GLU B 36 13.042 18.728 12.862 1.00 0.73 H new ATOM 0 HB2 GLU B 36 12.359 20.859 11.675 1.00 0.99 H new ATOM 0 HB3 GLU B 36 10.733 20.217 11.547 1.00 0.99 H new ATOM 0 HG2 GLU B 36 10.691 21.708 13.378 1.00 1.29 H new ATOM 0 HG3 GLU B 36 10.665 20.102 14.077 1.00 1.29 H new ATOM 2090 N LEU B 37 10.191 17.402 11.857 1.00 0.60 N ATOM 2091 CA LEU B 37 9.171 16.383 12.068 1.00 0.59 C ATOM 2092 C LEU B 37 9.818 15.065 12.464 1.00 0.56 C ATOM 2093 O LEU B 37 9.563 14.555 13.550 1.00 0.60 O ATOM 2094 CB LEU B 37 8.312 16.284 10.781 1.00 0.64 C ATOM 2095 CG LEU B 37 7.480 15.004 10.552 1.00 0.73 C ATOM 2096 CD1 LEU B 37 6.484 14.685 11.661 1.00 1.01 C ATOM 2097 CD2 LEU B 37 6.720 15.124 9.222 1.00 1.15 C ATOM 0 H LEU B 37 10.075 17.873 10.959 1.00 0.60 H new ATOM 0 HA LEU B 37 8.511 16.650 12.893 1.00 0.59 H new ATOM 0 HB2 LEU B 37 7.627 17.132 10.773 1.00 0.64 H new ATOM 0 HB3 LEU B 37 8.978 16.405 9.927 1.00 0.64 H new ATOM 0 HG LEU B 37 8.197 14.183 10.540 1.00 0.73 H new ATOM 0 HD11 LEU B 37 5.945 13.770 11.414 1.00 1.01 H new ATOM 0 HD12 LEU B 37 7.018 14.549 12.602 1.00 1.01 H new ATOM 0 HD13 LEU B 37 5.775 15.507 11.761 1.00 1.01 H new ATOM 0 HD21 LEU B 37 6.131 14.222 9.057 1.00 1.15 H new ATOM 0 HD22 LEU B 37 6.057 15.988 9.259 1.00 1.15 H new ATOM 0 HD23 LEU B 37 7.432 15.247 8.406 1.00 1.15 H new ATOM 2109 N ILE B 38 10.707 14.526 11.624 1.00 0.56 N ATOM 2110 CA ILE B 38 11.348 13.229 11.889 1.00 0.65 C ATOM 2111 C ILE B 38 12.204 13.257 13.166 1.00 0.71 C ATOM 2112 O ILE B 38 12.138 12.315 13.947 1.00 1.03 O ATOM 2113 CB ILE B 38 12.112 12.747 10.632 1.00 0.75 C ATOM 2114 CG1 ILE B 38 11.100 12.498 9.487 1.00 1.18 C ATOM 2115 CG2 ILE B 38 12.932 11.472 10.921 1.00 1.25 C ATOM 2116 CD1 ILE B 38 11.742 12.148 8.141 1.00 1.51 C ATOM 0 H ILE B 38 11.001 14.967 10.752 1.00 0.56 H new ATOM 0 HA ILE B 38 10.575 12.488 12.093 1.00 0.65 H new ATOM 0 HB ILE B 38 12.818 13.522 10.334 1.00 0.75 H new ATOM 0 HG12 ILE B 38 10.432 11.688 9.779 1.00 1.18 H new ATOM 0 HG13 ILE B 38 10.485 13.389 9.362 1.00 1.18 H new ATOM 0 HG21 ILE B 38 13.455 11.163 10.016 1.00 1.25 H new ATOM 0 HG22 ILE B 38 13.658 11.677 11.708 1.00 1.25 H new ATOM 0 HG23 ILE B 38 12.263 10.674 11.244 1.00 1.25 H new ATOM 0 HD11 ILE B 38 10.962 11.990 7.396 1.00 1.51 H new ATOM 0 HD12 ILE B 38 12.388 12.966 7.822 1.00 1.51 H new ATOM 0 HD13 ILE B 38 12.334 11.239 8.246 1.00 1.51 H new ATOM 2128 N LYS B 39 12.983 14.309 13.441 1.00 0.70 N ATOM 2129 CA LYS B 39 13.847 14.339 14.618 1.00 0.87 C ATOM 2130 C LYS B 39 13.200 14.851 15.916 1.00 1.04 C ATOM 2131 O LYS B 39 13.850 14.787 16.960 1.00 1.27 O ATOM 2132 CB LYS B 39 15.154 15.053 14.249 1.00 1.15 C ATOM 2133 CG LYS B 39 16.197 14.176 13.527 1.00 1.46 C ATOM 2134 CD LYS B 39 16.379 12.750 14.081 1.00 1.85 C ATOM 2135 CE LYS B 39 16.604 12.678 15.601 1.00 2.27 C ATOM 2136 NZ LYS B 39 16.257 11.336 16.124 1.00 3.36 N ATOM 0 H LYS B 39 13.030 15.148 12.863 1.00 0.70 H new ATOM 0 HA LYS B 39 14.060 13.305 14.887 1.00 0.87 H new ATOM 0 HB2 LYS B 39 14.917 15.906 13.613 1.00 1.15 H new ATOM 0 HB3 LYS B 39 15.603 15.449 15.160 1.00 1.15 H new ATOM 0 HG2 LYS B 39 15.917 14.103 12.476 1.00 1.46 H new ATOM 0 HG3 LYS B 39 17.160 14.685 13.565 1.00 1.46 H new ATOM 0 HD2 LYS B 39 15.497 12.161 13.829 1.00 1.85 H new ATOM 0 HD3 LYS B 39 17.227 12.285 13.579 1.00 1.85 H new ATOM 0 HE2 LYS B 39 17.646 12.904 15.830 1.00 2.27 H new ATOM 0 HE3 LYS B 39 15.997 13.435 16.099 1.00 2.27 H new ATOM 0 HZ1 LYS B 39 16.449 11.301 17.146 1.00 3.36 H new ATOM 0 HZ2 LYS B 39 15.248 11.148 15.955 1.00 3.36 H new ATOM 0 HZ3 LYS B 39 16.830 10.616 15.639 1.00 3.36 H new ATOM 2150 N LYS B 40 11.946 15.301 15.896 1.00 1.02 N ATOM 2151 CA LYS B 40 11.105 15.397 17.093 1.00 1.17 C ATOM 2152 C LYS B 40 10.277 14.118 17.309 1.00 1.24 C ATOM 2153 O LYS B 40 10.255 13.614 18.430 1.00 1.53 O ATOM 2154 CB LYS B 40 10.210 16.641 16.984 1.00 1.20 C ATOM 2155 CG LYS B 40 10.840 17.911 17.561 1.00 1.35 C ATOM 2156 CD LYS B 40 12.125 18.387 16.874 1.00 1.92 C ATOM 2157 CE LYS B 40 12.518 19.703 17.541 1.00 2.02 C ATOM 2158 NZ LYS B 40 13.765 20.275 16.984 1.00 2.73 N ATOM 0 H LYS B 40 11.480 15.612 15.044 1.00 1.02 H new ATOM 0 HA LYS B 40 11.746 15.499 17.969 1.00 1.17 H new ATOM 0 HB2 LYS B 40 9.968 16.812 15.935 1.00 1.20 H new ATOM 0 HB3 LYS B 40 9.270 16.447 17.500 1.00 1.20 H new ATOM 0 HG2 LYS B 40 10.105 18.714 17.512 1.00 1.35 H new ATOM 0 HG3 LYS B 40 11.056 17.741 18.616 1.00 1.35 H new ATOM 0 HD2 LYS B 40 12.918 17.647 16.981 1.00 1.92 H new ATOM 0 HD3 LYS B 40 11.963 18.528 15.805 1.00 1.92 H new ATOM 0 HE2 LYS B 40 11.708 20.422 17.422 1.00 2.02 H new ATOM 0 HE3 LYS B 40 12.644 19.540 18.611 1.00 2.02 H new ATOM 0 HZ1 LYS B 40 14.502 20.282 17.718 1.00 2.73 H new ATOM 0 HZ2 LYS B 40 14.083 19.698 16.180 1.00 2.73 H new ATOM 0 HZ3 LYS B 40 13.587 21.248 16.663 1.00 2.73 H new ATOM 2172 N GLU B 41 9.657 13.570 16.258 1.00 1.10 N ATOM 2173 CA GLU B 41 8.725 12.435 16.378 1.00 1.24 C ATOM 2174 C GLU B 41 9.390 11.047 16.310 1.00 1.08 C ATOM 2175 O GLU B 41 8.683 10.065 16.518 1.00 1.22 O ATOM 2176 CB GLU B 41 7.621 12.502 15.306 1.00 1.53 C ATOM 2177 CG GLU B 41 6.821 13.808 15.233 1.00 2.19 C ATOM 2178 CD GLU B 41 6.021 14.152 16.480 1.00 4.20 C ATOM 2179 OE1 GLU B 41 6.594 14.632 17.481 1.00 5.56 O ATOM 2180 OE2 GLU B 41 4.776 14.210 16.377 1.00 5.10 O ATOM 0 H GLU B 41 9.784 13.898 15.300 1.00 1.10 H new ATOM 0 HA GLU B 41 8.302 12.541 17.377 1.00 1.24 H new ATOM 0 HB2 GLU B 41 8.079 12.327 14.332 1.00 1.53 H new ATOM 0 HB3 GLU B 41 6.923 11.683 15.482 1.00 1.53 H new ATOM 0 HG2 GLU B 41 7.511 14.626 15.027 1.00 2.19 H new ATOM 0 HG3 GLU B 41 6.136 13.748 14.387 1.00 2.19 H new ATOM 2187 N LEU B 42 10.694 10.915 16.022 1.00 1.03 N ATOM 2188 CA LEU B 42 11.441 9.656 15.987 1.00 0.99 C ATOM 2189 C LEU B 42 12.743 9.803 16.798 1.00 1.03 C ATOM 2190 O LEU B 42 13.530 10.730 16.560 1.00 1.22 O ATOM 2191 CB LEU B 42 11.736 9.308 14.512 1.00 1.16 C ATOM 2192 CG LEU B 42 11.757 7.790 14.291 1.00 1.30 C ATOM 2193 CD1 LEU B 42 10.332 7.252 14.116 1.00 1.80 C ATOM 2194 CD2 LEU B 42 12.587 7.413 13.055 1.00 2.60 C ATOM 0 H LEU B 42 11.279 11.720 15.798 1.00 1.03 H new ATOM 0 HA LEU B 42 10.860 8.850 16.435 1.00 0.99 H new ATOM 0 HB2 LEU B 42 10.979 9.761 13.871 1.00 1.16 H new ATOM 0 HB3 LEU B 42 12.696 9.733 14.221 1.00 1.16 H new ATOM 0 HG LEU B 42 12.215 7.343 15.173 1.00 1.30 H new ATOM 0 HD11 LEU B 42 10.367 6.174 13.960 1.00 1.80 H new ATOM 0 HD12 LEU B 42 9.748 7.471 15.010 1.00 1.80 H new ATOM 0 HD13 LEU B 42 9.867 7.728 13.253 1.00 1.80 H new ATOM 0 HD21 LEU B 42 12.580 6.330 12.929 1.00 2.60 H new ATOM 0 HD22 LEU B 42 12.158 7.884 12.171 1.00 2.60 H new ATOM 0 HD23 LEU B 42 13.613 7.756 13.187 1.00 2.60 H new ATOM 2206 N CYS B 43 12.999 8.897 17.748 1.00 1.22 N ATOM 2207 CA CYS B 43 14.086 9.047 18.723 1.00 1.44 C ATOM 2208 C CYS B 43 15.455 8.861 18.082 1.00 1.64 C ATOM 2209 O CYS B 43 16.314 9.715 18.314 1.00 2.97 O ATOM 2210 CB CYS B 43 13.873 8.090 19.908 1.00 1.80 C ATOM 2211 SG CYS B 43 15.073 8.463 21.222 1.00 2.78 S ATOM 0 H CYS B 43 12.459 8.039 17.863 1.00 1.22 H new ATOM 0 HA CYS B 43 14.062 10.068 19.103 1.00 1.44 H new ATOM 0 HB2 CYS B 43 12.857 8.191 20.291 1.00 1.80 H new ATOM 0 HB3 CYS B 43 13.989 7.057 19.579 1.00 1.80 H new ATOM 0 HG CYS B 43 14.888 7.653 22.222 1.00 2.78 H new ATOM 2217 N LEU B 44 15.618 7.834 17.233 1.00 1.66 N ATOM 2218 CA LEU B 44 16.911 7.352 16.719 1.00 1.98 C ATOM 2219 C LEU B 44 17.961 8.453 16.493 1.00 2.39 C ATOM 2220 O LEU B 44 17.917 9.183 15.496 1.00 3.39 O ATOM 2221 CB LEU B 44 16.742 6.512 15.436 1.00 2.42 C ATOM 2222 CG LEU B 44 16.050 5.147 15.651 1.00 3.04 C ATOM 2223 CD1 LEU B 44 14.567 5.208 15.264 1.00 3.63 C ATOM 2224 CD2 LEU B 44 16.738 4.077 14.789 1.00 3.81 C ATOM 0 H LEU B 44 14.828 7.298 16.873 1.00 1.66 H new ATOM 0 HA LEU B 44 17.298 6.719 17.518 1.00 1.98 H new ATOM 0 HB2 LEU B 44 16.165 7.088 14.713 1.00 2.42 H new ATOM 0 HB3 LEU B 44 17.725 6.342 14.996 1.00 2.42 H new ATOM 0 HG LEU B 44 16.129 4.895 16.709 1.00 3.04 H new ATOM 0 HD11 LEU B 44 14.108 4.233 15.426 1.00 3.63 H new ATOM 0 HD12 LEU B 44 14.061 5.954 15.877 1.00 3.63 H new ATOM 0 HD13 LEU B 44 14.476 5.481 14.213 1.00 3.63 H new ATOM 0 HD21 LEU B 44 16.248 3.116 14.943 1.00 3.81 H new ATOM 0 HD22 LEU B 44 16.668 4.356 13.738 1.00 3.81 H new ATOM 0 HD23 LEU B 44 17.787 3.999 15.074 1.00 3.81 H new ATOM 2236 N GLY B 45 18.869 8.593 17.456 1.00 2.36 N ATOM 2237 CA GLY B 45 20.033 9.484 17.447 1.00 2.79 C ATOM 2238 C GLY B 45 21.304 8.823 17.988 1.00 2.46 C ATOM 2239 O GLY B 45 22.190 9.528 18.460 1.00 3.05 O ATOM 0 H GLY B 45 18.810 8.054 18.320 1.00 2.36 H new ATOM 0 HA2 GLY B 45 20.214 9.824 16.427 1.00 2.79 H new ATOM 0 HA3 GLY B 45 19.810 10.369 18.043 1.00 2.79 H new ATOM 2242 N GLU B 46 21.366 7.490 17.970 1.00 2.24 N ATOM 2243 CA GLU B 46 22.300 6.685 18.767 1.00 2.46 C ATOM 2244 C GLU B 46 22.732 5.365 18.097 1.00 2.65 C ATOM 2245 O GLU B 46 23.886 4.971 18.225 1.00 3.51 O ATOM 2246 CB GLU B 46 21.687 6.453 20.166 1.00 2.95 C ATOM 2247 CG GLU B 46 20.458 5.529 20.222 1.00 3.24 C ATOM 2248 CD GLU B 46 19.320 5.976 19.301 1.00 3.55 C ATOM 2249 OE1 GLU B 46 18.516 6.841 19.704 1.00 3.95 O ATOM 2250 OE2 GLU B 46 19.338 5.584 18.111 1.00 4.30 O ATOM 0 H GLU B 46 20.752 6.923 17.385 1.00 2.24 H new ATOM 0 HA GLU B 46 23.228 7.250 18.856 1.00 2.46 H new ATOM 0 HB2 GLU B 46 22.459 6.037 20.814 1.00 2.95 H new ATOM 0 HB3 GLU B 46 21.408 7.421 20.583 1.00 2.95 H new ATOM 0 HG2 GLU B 46 20.760 4.518 19.950 1.00 3.24 H new ATOM 0 HG3 GLU B 46 20.091 5.487 21.247 1.00 3.24 H new ATOM 2257 N MET B 47 21.844 4.679 17.361 1.00 2.37 N ATOM 2258 CA MET B 47 22.162 3.429 16.646 1.00 2.79 C ATOM 2259 C MET B 47 22.768 3.667 15.258 1.00 2.35 C ATOM 2260 O MET B 47 23.506 2.824 14.751 1.00 2.86 O ATOM 2261 CB MET B 47 20.914 2.544 16.555 1.00 3.52 C ATOM 2262 CG MET B 47 20.517 2.041 17.950 1.00 4.22 C ATOM 2263 SD MET B 47 19.094 0.931 17.985 1.00 4.77 S ATOM 2264 CE MET B 47 17.837 2.133 17.497 1.00 3.73 C ATOM 0 H MET B 47 20.876 4.977 17.243 1.00 2.37 H new ATOM 0 HA MET B 47 22.929 2.915 17.226 1.00 2.79 H new ATOM 0 HB2 MET B 47 20.091 3.108 16.116 1.00 3.52 H new ATOM 0 HB3 MET B 47 21.107 1.697 15.897 1.00 3.52 H new ATOM 0 HG2 MET B 47 21.371 1.526 18.391 1.00 4.22 H new ATOM 0 HG3 MET B 47 20.303 2.902 18.583 1.00 4.22 H new ATOM 0 HE1 MET B 47 16.984 2.061 18.171 1.00 3.73 H new ATOM 0 HE2 MET B 47 18.256 3.138 17.547 1.00 3.73 H new ATOM 0 HE3 MET B 47 17.512 1.926 16.477 1.00 3.73 H new ATOM 2274 N LYS B 48 22.473 4.808 14.622 1.00 1.94 N ATOM 2275 CA LYS B 48 22.988 5.203 13.318 1.00 1.92 C ATOM 2276 C LYS B 48 23.397 6.684 13.321 1.00 2.12 C ATOM 2277 O LYS B 48 22.736 7.512 13.950 1.00 2.74 O ATOM 2278 CB LYS B 48 21.887 4.976 12.272 1.00 2.14 C ATOM 2279 CG LYS B 48 21.396 3.525 12.132 1.00 2.33 C ATOM 2280 CD LYS B 48 22.370 2.497 11.523 1.00 3.28 C ATOM 2281 CE LYS B 48 22.505 2.637 9.995 1.00 4.68 C ATOM 2282 NZ LYS B 48 23.002 1.387 9.356 1.00 5.89 N ATOM 0 H LYS B 48 21.844 5.504 15.023 1.00 1.94 H new ATOM 0 HA LYS B 48 23.869 4.606 13.081 1.00 1.92 H new ATOM 0 HB2 LYS B 48 21.035 5.607 12.524 1.00 2.14 H new ATOM 0 HB3 LYS B 48 22.256 5.311 11.303 1.00 2.14 H new ATOM 0 HG2 LYS B 48 21.109 3.170 13.122 1.00 2.33 H new ATOM 0 HG3 LYS B 48 20.492 3.534 11.522 1.00 2.33 H new ATOM 0 HD2 LYS B 48 23.351 2.616 11.983 1.00 3.28 H new ATOM 0 HD3 LYS B 48 22.026 1.491 11.762 1.00 3.28 H new ATOM 0 HE2 LYS B 48 21.537 2.900 9.569 1.00 4.68 H new ATOM 0 HE3 LYS B 48 23.187 3.456 9.766 1.00 4.68 H new ATOM 0 HZ1 LYS B 48 22.886 1.454 8.325 1.00 5.89 H new ATOM 0 HZ2 LYS B 48 24.009 1.257 9.583 1.00 5.89 H new ATOM 0 HZ3 LYS B 48 22.459 0.575 9.713 1.00 5.89 H new ATOM 2296 N GLU B 49 24.425 7.017 12.546 1.00 2.22 N ATOM 2297 CA GLU B 49 24.864 8.382 12.245 1.00 2.48 C ATOM 2298 C GLU B 49 25.081 8.536 10.724 1.00 1.98 C ATOM 2299 O GLU B 49 24.734 7.617 9.980 1.00 2.29 O ATOM 2300 CB GLU B 49 26.062 8.767 13.134 1.00 3.52 C ATOM 2301 CG GLU B 49 27.349 7.967 12.891 1.00 4.63 C ATOM 2302 CD GLU B 49 28.088 8.401 11.627 1.00 5.64 C ATOM 2303 OE1 GLU B 49 28.308 9.627 11.490 1.00 6.19 O ATOM 2304 OE2 GLU B 49 28.337 7.526 10.768 1.00 6.36 O ATOM 0 H GLU B 49 25.003 6.312 12.088 1.00 2.22 H new ATOM 0 HA GLU B 49 24.092 9.109 12.498 1.00 2.48 H new ATOM 0 HB2 GLU B 49 26.279 9.825 12.984 1.00 3.52 H new ATOM 0 HB3 GLU B 49 25.771 8.646 14.178 1.00 3.52 H new ATOM 0 HG2 GLU B 49 28.010 8.082 13.750 1.00 4.63 H new ATOM 0 HG3 GLU B 49 27.104 6.908 12.817 1.00 4.63 H new ATOM 2311 N SER B 50 25.601 9.685 10.274 1.00 2.31 N ATOM 2312 CA SER B 50 25.884 10.083 8.872 1.00 2.30 C ATOM 2313 C SER B 50 24.754 9.837 7.850 1.00 2.21 C ATOM 2314 O SER B 50 24.078 10.777 7.424 1.00 3.38 O ATOM 2315 CB SER B 50 27.213 9.445 8.426 1.00 2.67 C ATOM 2316 OG SER B 50 27.535 9.764 7.085 1.00 3.76 O ATOM 0 H SER B 50 25.858 10.426 10.926 1.00 2.31 H new ATOM 0 HA SER B 50 25.961 11.170 8.882 1.00 2.30 H new ATOM 0 HB2 SER B 50 28.015 9.785 9.081 1.00 2.67 H new ATOM 0 HB3 SER B 50 27.149 8.362 8.535 1.00 2.67 H new ATOM 0 HG SER B 50 28.385 9.341 6.843 1.00 3.76 H new ATOM 2322 N SER B 51 24.484 8.575 7.499 1.00 1.54 N ATOM 2323 CA SER B 51 23.472 8.078 6.552 1.00 1.59 C ATOM 2324 C SER B 51 22.006 8.316 6.990 1.00 1.61 C ATOM 2325 O SER B 51 21.086 7.650 6.504 1.00 2.37 O ATOM 2326 CB SER B 51 23.744 6.580 6.307 1.00 1.84 C ATOM 2327 OG SER B 51 22.853 6.023 5.355 1.00 2.54 O ATOM 0 H SER B 51 25.014 7.804 7.905 1.00 1.54 H new ATOM 0 HA SER B 51 23.572 8.654 5.632 1.00 1.59 H new ATOM 0 HB2 SER B 51 24.770 6.450 5.962 1.00 1.84 H new ATOM 0 HB3 SER B 51 23.654 6.037 7.248 1.00 1.84 H new ATOM 0 HG SER B 51 21.960 6.409 5.477 1.00 2.54 H new ATOM 2333 N ILE B 52 21.779 9.262 7.905 1.00 1.41 N ATOM 2334 CA ILE B 52 20.462 9.867 8.151 1.00 1.40 C ATOM 2335 C ILE B 52 20.458 11.373 7.873 1.00 1.29 C ATOM 2336 O ILE B 52 19.422 11.874 7.441 1.00 1.36 O ATOM 2337 CB ILE B 52 19.925 9.537 9.568 1.00 1.63 C ATOM 2338 CG1 ILE B 52 20.690 10.211 10.733 1.00 1.94 C ATOM 2339 CG2 ILE B 52 19.869 8.011 9.784 1.00 1.91 C ATOM 2340 CD1 ILE B 52 20.068 11.548 11.171 1.00 1.93 C ATOM 0 H ILE B 52 22.514 9.636 8.506 1.00 1.41 H new ATOM 0 HA ILE B 52 19.772 9.414 7.439 1.00 1.40 H new ATOM 0 HB ILE B 52 18.922 9.963 9.594 1.00 1.63 H new ATOM 0 HG12 ILE B 52 20.714 9.532 11.585 1.00 1.94 H new ATOM 0 HG13 ILE B 52 21.724 10.380 10.431 1.00 1.94 H new ATOM 0 HG21 ILE B 52 19.490 7.799 10.784 1.00 1.91 H new ATOM 0 HG22 ILE B 52 19.208 7.563 9.042 1.00 1.91 H new ATOM 0 HG23 ILE B 52 20.870 7.592 9.679 1.00 1.91 H new ATOM 0 HD11 ILE B 52 20.650 11.969 11.990 1.00 1.93 H new ATOM 0 HD12 ILE B 52 20.069 12.242 10.331 1.00 1.93 H new ATOM 0 HD13 ILE B 52 19.043 11.381 11.503 1.00 1.93 H new ATOM 2352 N ASP B 53 21.566 12.094 8.093 1.00 1.34 N ATOM 2353 CA ASP B 53 21.617 13.556 7.948 1.00 1.54 C ATOM 2354 C ASP B 53 21.950 13.979 6.513 1.00 1.32 C ATOM 2355 O ASP B 53 21.524 15.055 6.135 1.00 1.37 O ATOM 2356 CB ASP B 53 22.586 14.214 8.952 1.00 2.09 C ATOM 2357 CG ASP B 53 22.405 15.753 9.102 1.00 2.70 C ATOM 2358 OD1 ASP B 53 21.269 16.297 8.987 1.00 3.83 O ATOM 2359 OD2 ASP B 53 23.428 16.429 9.336 1.00 2.86 O ATOM 0 H ASP B 53 22.454 11.680 8.377 1.00 1.34 H new ATOM 0 HA ASP B 53 20.615 13.917 8.179 1.00 1.54 H new ATOM 0 HB2 ASP B 53 22.452 13.747 9.928 1.00 2.09 H new ATOM 0 HB3 ASP B 53 23.610 14.009 8.639 1.00 2.09 H new ATOM 2364 N ASP B 54 22.636 13.177 5.681 1.00 1.23 N ATOM 2365 CA ASP B 54 22.826 13.486 4.243 1.00 1.14 C ATOM 2366 C ASP B 54 21.482 13.652 3.513 1.00 0.92 C ATOM 2367 O ASP B 54 21.226 14.644 2.818 1.00 0.97 O ATOM 2368 CB ASP B 54 23.644 12.389 3.550 1.00 1.35 C ATOM 2369 CG ASP B 54 23.759 12.671 2.042 1.00 1.50 C ATOM 2370 OD1 ASP B 54 22.866 12.214 1.291 1.00 2.14 O ATOM 2371 OD2 ASP B 54 24.713 13.384 1.658 1.00 2.30 O ATOM 0 H ASP B 54 23.072 12.304 5.977 1.00 1.23 H new ATOM 0 HA ASP B 54 23.368 14.430 4.193 1.00 1.14 H new ATOM 0 HB2 ASP B 54 24.639 12.335 3.992 1.00 1.35 H new ATOM 0 HB3 ASP B 54 23.171 11.420 3.709 1.00 1.35 H new ATOM 2376 N LEU B 55 20.573 12.705 3.757 1.00 0.77 N ATOM 2377 CA LEU B 55 19.203 12.760 3.259 1.00 0.74 C ATOM 2378 C LEU B 55 18.522 14.034 3.764 1.00 0.82 C ATOM 2379 O LEU B 55 17.867 14.732 2.995 1.00 0.91 O ATOM 2380 CB LEU B 55 18.459 11.477 3.676 1.00 0.74 C ATOM 2381 CG LEU B 55 19.117 10.183 3.158 1.00 0.84 C ATOM 2382 CD1 LEU B 55 18.435 8.957 3.768 1.00 0.90 C ATOM 2383 CD2 LEU B 55 19.121 10.107 1.623 1.00 0.96 C ATOM 0 H LEU B 55 20.772 11.872 4.311 1.00 0.77 H new ATOM 0 HA LEU B 55 19.190 12.804 2.170 1.00 0.74 H new ATOM 0 HB2 LEU B 55 18.405 11.436 4.764 1.00 0.74 H new ATOM 0 HB3 LEU B 55 17.434 11.526 3.308 1.00 0.74 H new ATOM 0 HG LEU B 55 20.160 10.197 3.474 1.00 0.84 H new ATOM 0 HD11 LEU B 55 18.911 8.051 3.392 1.00 0.90 H new ATOM 0 HD12 LEU B 55 18.527 8.992 4.854 1.00 0.90 H new ATOM 0 HD13 LEU B 55 17.380 8.953 3.493 1.00 0.90 H new ATOM 0 HD21 LEU B 55 19.595 9.178 1.306 1.00 0.96 H new ATOM 0 HD22 LEU B 55 18.096 10.136 1.255 1.00 0.96 H new ATOM 0 HD23 LEU B 55 19.676 10.954 1.218 1.00 0.96 H new ATOM 2395 N MET B 56 18.756 14.420 5.021 1.00 0.91 N ATOM 2396 CA MET B 56 18.244 15.681 5.564 1.00 1.13 C ATOM 2397 C MET B 56 18.984 16.917 5.033 1.00 1.11 C ATOM 2398 O MET B 56 18.394 17.998 4.989 1.00 1.20 O ATOM 2399 CB MET B 56 18.238 15.647 7.089 1.00 1.42 C ATOM 2400 CG MET B 56 17.398 14.528 7.674 1.00 1.56 C ATOM 2401 SD MET B 56 17.366 14.585 9.478 1.00 1.59 S ATOM 2402 CE MET B 56 15.642 14.139 9.717 1.00 1.86 C ATOM 0 H MET B 56 19.301 13.872 5.686 1.00 0.91 H new ATOM 0 HA MET B 56 17.217 15.778 5.212 1.00 1.13 H new ATOM 0 HB2 MET B 56 19.263 15.543 7.445 1.00 1.42 H new ATOM 0 HB3 MET B 56 17.866 16.601 7.463 1.00 1.42 H new ATOM 0 HG2 MET B 56 16.380 14.599 7.290 1.00 1.56 H new ATOM 0 HG3 MET B 56 17.795 13.567 7.348 1.00 1.56 H new ATOM 0 HE1 MET B 56 15.190 14.811 10.446 1.00 1.86 H new ATOM 0 HE2 MET B 56 15.110 14.221 8.769 1.00 1.86 H new ATOM 0 HE3 MET B 56 15.579 13.113 10.081 1.00 1.86 H new ATOM 2412 N LYS B 57 20.231 16.792 4.577 1.00 1.06 N ATOM 2413 CA LYS B 57 20.944 17.808 3.801 1.00 1.11 C ATOM 2414 C LYS B 57 20.321 17.948 2.411 1.00 1.11 C ATOM 2415 O LYS B 57 20.259 19.045 1.867 1.00 1.25 O ATOM 2416 CB LYS B 57 22.459 17.525 3.736 1.00 1.19 C ATOM 2417 CG LYS B 57 23.240 18.280 4.820 1.00 1.37 C ATOM 2418 CD LYS B 57 22.911 17.788 6.237 1.00 2.81 C ATOM 2419 CE LYS B 57 23.422 18.718 7.339 1.00 3.70 C ATOM 2420 NZ LYS B 57 22.784 20.053 7.279 1.00 4.55 N ATOM 0 H LYS B 57 20.790 15.955 4.743 1.00 1.06 H new ATOM 0 HA LYS B 57 20.837 18.764 4.313 1.00 1.11 H new ATOM 0 HB2 LYS B 57 22.631 16.454 3.846 1.00 1.19 H new ATOM 0 HB3 LYS B 57 22.838 17.809 2.754 1.00 1.19 H new ATOM 0 HG2 LYS B 57 24.309 18.165 4.639 1.00 1.37 H new ATOM 0 HG3 LYS B 57 23.017 19.345 4.748 1.00 1.37 H new ATOM 0 HD2 LYS B 57 21.831 17.681 6.334 1.00 2.81 H new ATOM 0 HD3 LYS B 57 23.343 16.797 6.379 1.00 2.81 H new ATOM 0 HE2 LYS B 57 23.228 18.267 8.312 1.00 3.70 H new ATOM 0 HE3 LYS B 57 24.503 18.828 7.248 1.00 3.70 H new ATOM 0 HZ1 LYS B 57 22.913 20.540 8.189 1.00 4.55 H new ATOM 0 HZ2 LYS B 57 23.223 20.614 6.521 1.00 4.55 H new ATOM 0 HZ3 LYS B 57 21.768 19.944 7.085 1.00 4.55 H new ATOM 2434 N SER B 58 19.732 16.884 1.876 1.00 1.02 N ATOM 2435 CA SER B 58 18.848 16.911 0.704 1.00 1.09 C ATOM 2436 C SER B 58 17.513 17.663 0.944 1.00 1.07 C ATOM 2437 O SER B 58 16.830 18.021 -0.018 1.00 1.31 O ATOM 2438 CB SER B 58 18.610 15.480 0.188 1.00 1.16 C ATOM 2439 OG SER B 58 18.622 15.396 -1.232 1.00 2.06 O ATOM 0 H SER B 58 19.857 15.945 2.255 1.00 1.02 H new ATOM 0 HA SER B 58 19.362 17.487 -0.065 1.00 1.09 H new ATOM 0 HB2 SER B 58 19.378 14.821 0.593 1.00 1.16 H new ATOM 0 HB3 SER B 58 17.651 15.119 0.560 1.00 1.16 H new ATOM 0 HG SER B 58 17.885 15.928 -1.597 1.00 2.06 H new ATOM 2445 N LEU B 59 17.154 17.955 2.205 1.00 0.98 N ATOM 2446 CA LEU B 59 15.995 18.783 2.557 1.00 1.07 C ATOM 2447 C LEU B 59 16.452 20.229 2.760 1.00 1.14 C ATOM 2448 O LEU B 59 15.976 21.143 2.085 1.00 1.34 O ATOM 2449 CB LEU B 59 15.293 18.198 3.804 1.00 1.08 C ATOM 2450 CG LEU B 59 14.916 16.702 3.701 1.00 1.00 C ATOM 2451 CD1 LEU B 59 14.257 16.258 5.011 1.00 1.08 C ATOM 2452 CD2 LEU B 59 14.013 16.416 2.496 1.00 1.05 C ATOM 0 H LEU B 59 17.669 17.617 3.018 1.00 0.98 H new ATOM 0 HA LEU B 59 15.263 18.780 1.750 1.00 1.07 H new ATOM 0 HB2 LEU B 59 15.945 18.334 4.667 1.00 1.08 H new ATOM 0 HB3 LEU B 59 14.387 18.773 3.995 1.00 1.08 H new ATOM 0 HG LEU B 59 15.827 16.125 3.542 1.00 1.00 H new ATOM 0 HD11 LEU B 59 13.989 15.204 4.944 1.00 1.08 H new ATOM 0 HD12 LEU B 59 14.954 16.404 5.836 1.00 1.08 H new ATOM 0 HD13 LEU B 59 13.359 16.850 5.186 1.00 1.08 H new ATOM 0 HD21 LEU B 59 13.774 15.353 2.464 1.00 1.05 H new ATOM 0 HD22 LEU B 59 13.092 16.992 2.587 1.00 1.05 H new ATOM 0 HD23 LEU B 59 14.530 16.699 1.579 1.00 1.05 H new ATOM 2464 N ASP B 60 17.460 20.404 3.613 1.00 1.09 N ATOM 2465 CA ASP B 60 18.199 21.648 3.834 1.00 1.14 C ATOM 2466 C ASP B 60 18.660 22.340 2.529 1.00 1.24 C ATOM 2467 O ASP B 60 18.699 23.565 2.479 1.00 1.61 O ATOM 2468 CB ASP B 60 19.429 21.340 4.702 1.00 1.19 C ATOM 2469 CG ASP B 60 19.200 21.064 6.202 1.00 1.83 C ATOM 2470 OD1 ASP B 60 18.237 21.630 6.776 1.00 2.86 O ATOM 2471 OD2 ASP B 60 20.045 20.352 6.811 1.00 2.85 O ATOM 0 H ASP B 60 17.802 19.643 4.200 1.00 1.09 H new ATOM 0 HA ASP B 60 17.517 22.341 4.327 1.00 1.14 H new ATOM 0 HB2 ASP B 60 19.932 20.472 4.275 1.00 1.19 H new ATOM 0 HB3 ASP B 60 20.118 22.181 4.617 1.00 1.19 H new ATOM 2476 N LYS B 61 18.951 21.571 1.463 1.00 1.11 N ATOM 2477 CA LYS B 61 19.435 22.001 0.137 1.00 1.21 C ATOM 2478 C LYS B 61 18.736 23.220 -0.486 1.00 1.23 C ATOM 2479 O LYS B 61 19.348 23.942 -1.263 1.00 1.44 O ATOM 2480 CB LYS B 61 19.323 20.795 -0.791 1.00 1.33 C ATOM 2481 CG LYS B 61 20.027 20.997 -2.145 1.00 2.06 C ATOM 2482 CD LYS B 61 20.574 19.661 -2.660 1.00 2.72 C ATOM 2483 CE LYS B 61 19.468 18.605 -2.629 1.00 3.99 C ATOM 2484 NZ LYS B 61 19.966 17.244 -2.945 1.00 4.70 N ATOM 0 H LYS B 61 18.846 20.557 1.509 1.00 1.11 H new ATOM 0 HA LYS B 61 20.460 22.347 0.274 1.00 1.21 H new ATOM 0 HB2 LYS B 61 19.750 19.923 -0.295 1.00 1.33 H new ATOM 0 HB3 LYS B 61 18.269 20.578 -0.967 1.00 1.33 H new ATOM 0 HG2 LYS B 61 19.327 21.415 -2.868 1.00 2.06 H new ATOM 0 HG3 LYS B 61 20.841 21.714 -2.037 1.00 2.06 H new ATOM 0 HD2 LYS B 61 20.950 19.778 -3.676 1.00 2.72 H new ATOM 0 HD3 LYS B 61 21.414 19.340 -2.045 1.00 2.72 H new ATOM 0 HE2 LYS B 61 19.006 18.598 -1.642 1.00 3.99 H new ATOM 0 HE3 LYS B 61 18.691 18.878 -3.343 1.00 3.99 H new ATOM 0 HZ1 LYS B 61 19.489 16.550 -2.335 1.00 4.70 H new ATOM 0 HZ2 LYS B 61 19.767 17.024 -3.942 1.00 4.70 H new ATOM 0 HZ3 LYS B 61 20.992 17.203 -2.780 1.00 4.70 H new ATOM 2498 N ASN B 62 17.460 23.418 -0.165 1.00 1.21 N ATOM 2499 CA ASN B 62 16.709 24.625 -0.527 1.00 1.45 C ATOM 2500 C ASN B 62 15.981 25.223 0.676 1.00 1.49 C ATOM 2501 O ASN B 62 15.839 26.430 0.745 1.00 2.36 O ATOM 2502 CB ASN B 62 15.693 24.302 -1.629 1.00 1.78 C ATOM 2503 CG ASN B 62 16.358 23.700 -2.857 1.00 1.82 C ATOM 2504 OD1 ASN B 62 16.249 22.507 -3.099 1.00 2.16 O ATOM 2505 ND2 ASN B 62 17.079 24.490 -3.626 1.00 2.35 N ATOM 0 H ASN B 62 16.909 22.739 0.360 1.00 1.21 H new ATOM 0 HA ASN B 62 17.428 25.361 -0.888 1.00 1.45 H new ATOM 0 HB2 ASN B 62 14.948 23.607 -1.243 1.00 1.78 H new ATOM 0 HB3 ASN B 62 15.164 25.212 -1.912 1.00 1.78 H new ATOM 0 HD21 ASN B 62 17.559 24.109 -4.441 1.00 2.35 H new ATOM 0 HD22 ASN B 62 17.157 25.483 -3.406 1.00 2.35 H new ATOM 2512 N SER B 63 15.495 24.373 1.586 1.00 1.05 N ATOM 2513 CA SER B 63 14.907 24.691 2.899 1.00 1.07 C ATOM 2514 C SER B 63 13.520 25.339 2.873 1.00 1.03 C ATOM 2515 O SER B 63 12.701 25.072 3.753 1.00 1.27 O ATOM 2516 CB SER B 63 15.876 25.511 3.764 1.00 1.40 C ATOM 2517 OG SER B 63 16.946 24.693 4.217 1.00 1.74 O ATOM 0 H SER B 63 15.501 23.368 1.415 1.00 1.05 H new ATOM 0 HA SER B 63 14.744 23.714 3.354 1.00 1.07 H new ATOM 0 HB2 SER B 63 16.269 26.349 3.188 1.00 1.40 H new ATOM 0 HB3 SER B 63 15.345 25.932 4.618 1.00 1.40 H new ATOM 0 HG SER B 63 17.456 24.365 3.447 1.00 1.74 H new ATOM 2523 N ASP B 64 13.223 26.092 1.822 1.00 1.01 N ATOM 2524 CA ASP B 64 12.212 27.141 1.760 1.00 1.28 C ATOM 2525 C ASP B 64 11.363 26.868 0.515 1.00 1.39 C ATOM 2526 O ASP B 64 11.183 27.678 -0.391 1.00 2.39 O ATOM 2527 CB ASP B 64 12.937 28.495 1.770 1.00 1.59 C ATOM 2528 CG ASP B 64 13.571 28.778 3.140 1.00 2.29 C ATOM 2529 OD1 ASP B 64 14.642 28.209 3.446 1.00 3.23 O ATOM 2530 OD2 ASP B 64 12.955 29.558 3.893 1.00 3.26 O ATOM 0 H ASP B 64 13.712 25.980 0.934 1.00 1.01 H new ATOM 0 HA ASP B 64 11.531 27.159 2.611 1.00 1.28 H new ATOM 0 HB2 ASP B 64 13.709 28.502 1.001 1.00 1.59 H new ATOM 0 HB3 ASP B 64 12.233 29.289 1.522 1.00 1.59 H new ATOM 2535 N GLN B 65 10.948 25.604 0.445 1.00 0.96 N ATOM 2536 CA GLN B 65 10.235 24.973 -0.644 1.00 0.92 C ATOM 2537 C GLN B 65 9.411 23.808 -0.118 1.00 0.89 C ATOM 2538 O GLN B 65 9.851 23.096 0.789 1.00 0.98 O ATOM 2539 CB GLN B 65 11.222 24.361 -1.633 1.00 0.99 C ATOM 2540 CG GLN B 65 11.852 25.376 -2.595 1.00 1.86 C ATOM 2541 CD GLN B 65 12.318 24.738 -3.900 1.00 2.46 C ATOM 2542 OE1 GLN B 65 11.884 25.097 -4.977 1.00 3.64 O ATOM 2543 NE2 GLN B 65 13.182 23.740 -3.882 1.00 3.10 N ATOM 0 H GLN B 65 11.119 24.952 1.211 1.00 0.96 H new ATOM 0 HA GLN B 65 9.612 25.734 -1.113 1.00 0.92 H new ATOM 0 HB2 GLN B 65 12.016 23.862 -1.077 1.00 0.99 H new ATOM 0 HB3 GLN B 65 10.710 23.594 -2.214 1.00 0.99 H new ATOM 0 HG2 GLN B 65 11.127 26.159 -2.817 1.00 1.86 H new ATOM 0 HG3 GLN B 65 12.700 25.856 -2.107 1.00 1.86 H new ATOM 0 HE21 GLN B 65 13.566 23.414 -2.995 1.00 3.10 H new ATOM 0 HE22 GLN B 65 13.466 23.295 -4.755 1.00 3.10 H new ATOM 2552 N GLU B 66 8.273 23.557 -0.761 1.00 0.94 N ATOM 2553 CA GLU B 66 7.300 22.613 -0.240 1.00 0.86 C ATOM 2554 C GLU B 66 7.578 21.145 -0.563 1.00 0.86 C ATOM 2555 O GLU B 66 8.184 20.761 -1.564 1.00 1.10 O ATOM 2556 CB GLU B 66 5.875 22.971 -0.672 1.00 0.94 C ATOM 2557 CG GLU B 66 5.406 24.307 -0.093 1.00 1.00 C ATOM 2558 CD GLU B 66 3.967 24.568 -0.515 1.00 1.48 C ATOM 2559 OE1 GLU B 66 3.084 23.800 -0.055 1.00 2.58 O ATOM 2560 OE2 GLU B 66 3.763 25.500 -1.319 1.00 2.35 O ATOM 0 H GLU B 66 8.006 23.996 -1.642 1.00 0.94 H new ATOM 0 HA GLU B 66 7.400 22.710 0.841 1.00 0.86 H new ATOM 0 HB2 GLU B 66 5.829 23.014 -1.760 1.00 0.94 H new ATOM 0 HB3 GLU B 66 5.193 22.182 -0.355 1.00 0.94 H new ATOM 0 HG2 GLU B 66 5.480 24.290 0.994 1.00 1.00 H new ATOM 0 HG3 GLU B 66 6.051 25.113 -0.443 1.00 1.00 H new ATOM 2567 N ILE B 67 7.084 20.322 0.354 1.00 0.72 N ATOM 2568 CA ILE B 67 7.084 18.863 0.369 1.00 0.72 C ATOM 2569 C ILE B 67 5.653 18.307 0.440 1.00 0.73 C ATOM 2570 O ILE B 67 4.836 18.745 1.246 1.00 0.84 O ATOM 2571 CB ILE B 67 7.963 18.408 1.561 1.00 0.90 C ATOM 2572 CG1 ILE B 67 9.419 18.472 1.072 1.00 1.16 C ATOM 2573 CG2 ILE B 67 7.596 17.041 2.163 1.00 2.16 C ATOM 2574 CD1 ILE B 67 10.456 18.094 2.125 1.00 1.25 C ATOM 0 H ILE B 67 6.629 20.695 1.187 1.00 0.72 H new ATOM 0 HA ILE B 67 7.502 18.467 -0.556 1.00 0.72 H new ATOM 0 HB ILE B 67 7.792 19.078 2.404 1.00 0.90 H new ATOM 0 HG12 ILE B 67 9.531 17.808 0.215 1.00 1.16 H new ATOM 0 HG13 ILE B 67 9.627 19.483 0.721 1.00 1.16 H new ATOM 0 HG21 ILE B 67 8.269 16.815 2.990 1.00 2.16 H new ATOM 0 HG22 ILE B 67 6.569 17.068 2.528 1.00 2.16 H new ATOM 0 HG23 ILE B 67 7.689 16.270 1.398 1.00 2.16 H new ATOM 0 HD11 ILE B 67 11.455 18.167 1.695 1.00 1.25 H new ATOM 0 HD12 ILE B 67 10.377 18.773 2.974 1.00 1.25 H new ATOM 0 HD13 ILE B 67 10.279 17.072 2.460 1.00 1.25 H new ATOM 2586 N ASP B 68 5.415 17.287 -0.381 1.00 0.76 N ATOM 2587 CA ASP B 68 4.226 16.432 -0.436 1.00 0.92 C ATOM 2588 C ASP B 68 4.469 15.092 0.304 1.00 0.92 C ATOM 2589 O ASP B 68 5.613 14.700 0.565 1.00 1.06 O ATOM 2590 CB ASP B 68 3.909 16.226 -1.935 1.00 1.11 C ATOM 2591 CG ASP B 68 3.003 15.030 -2.231 1.00 1.30 C ATOM 2592 OD1 ASP B 68 1.772 15.159 -2.078 1.00 2.78 O ATOM 2593 OD2 ASP B 68 3.574 13.964 -2.545 1.00 1.78 O ATOM 0 H ASP B 68 6.103 17.013 -1.083 1.00 0.76 H new ATOM 0 HA ASP B 68 3.377 16.893 0.070 1.00 0.92 H new ATOM 0 HB2 ASP B 68 3.436 17.129 -2.321 1.00 1.11 H new ATOM 0 HB3 ASP B 68 4.846 16.100 -2.478 1.00 1.11 H new ATOM 2598 N PHE B 69 3.398 14.341 0.587 1.00 0.96 N ATOM 2599 CA PHE B 69 3.451 13.021 1.232 1.00 0.99 C ATOM 2600 C PHE B 69 4.436 12.030 0.589 1.00 0.93 C ATOM 2601 O PHE B 69 4.938 11.142 1.277 1.00 0.94 O ATOM 2602 CB PHE B 69 2.077 12.347 1.184 1.00 1.29 C ATOM 2603 CG PHE B 69 0.873 13.139 1.635 1.00 1.66 C ATOM 2604 CD1 PHE B 69 0.181 13.928 0.700 1.00 3.35 C ATOM 2605 CD2 PHE B 69 0.361 12.971 2.936 1.00 2.07 C ATOM 2606 CE1 PHE B 69 -1.035 14.525 1.048 1.00 4.59 C ATOM 2607 CE2 PHE B 69 -0.861 13.570 3.287 1.00 3.25 C ATOM 2608 CZ PHE B 69 -1.558 14.325 2.331 1.00 4.34 C ATOM 0 H PHE B 69 2.447 14.640 0.369 1.00 0.96 H new ATOM 0 HA PHE B 69 3.786 13.234 2.247 1.00 0.99 H new ATOM 0 HB2 PHE B 69 1.899 12.028 0.157 1.00 1.29 H new ATOM 0 HB3 PHE B 69 2.128 11.445 1.793 1.00 1.29 H new ATOM 0 HD1 PHE B 69 0.589 14.074 -0.289 1.00 3.35 H new ATOM 0 HD2 PHE B 69 0.905 12.384 3.661 1.00 2.07 H new ATOM 0 HE1 PHE B 69 -1.566 15.135 0.333 1.00 4.59 H new ATOM 0 HE2 PHE B 69 -1.260 13.450 4.283 1.00 3.25 H new ATOM 0 HZ PHE B 69 -2.513 14.759 2.589 1.00 4.34 H new ATOM 2618 N LYS B 70 4.741 12.142 -0.709 1.00 0.92 N ATOM 2619 CA LYS B 70 5.600 11.215 -1.450 1.00 0.94 C ATOM 2620 C LYS B 70 7.006 11.265 -0.886 1.00 0.73 C ATOM 2621 O LYS B 70 7.581 10.229 -0.552 1.00 0.75 O ATOM 2622 CB LYS B 70 5.601 11.685 -2.908 1.00 1.06 C ATOM 2623 CG LYS B 70 6.426 10.850 -3.913 1.00 2.16 C ATOM 2624 CD LYS B 70 7.793 11.449 -4.310 1.00 3.77 C ATOM 2625 CE LYS B 70 8.961 10.918 -3.466 1.00 5.31 C ATOM 2626 NZ LYS B 70 10.248 11.577 -3.797 1.00 6.83 N ATOM 0 H LYS B 70 4.386 12.903 -1.288 1.00 0.92 H new ATOM 0 HA LYS B 70 5.239 10.189 -1.372 1.00 0.94 H new ATOM 0 HB2 LYS B 70 4.568 11.711 -3.256 1.00 1.06 H new ATOM 0 HB3 LYS B 70 5.972 12.710 -2.934 1.00 1.06 H new ATOM 0 HG2 LYS B 70 6.592 9.861 -3.487 1.00 2.16 H new ATOM 0 HG3 LYS B 70 5.833 10.712 -4.817 1.00 2.16 H new ATOM 0 HD2 LYS B 70 7.985 11.231 -5.361 1.00 3.77 H new ATOM 0 HD3 LYS B 70 7.748 12.534 -4.213 1.00 3.77 H new ATOM 0 HE2 LYS B 70 8.740 11.070 -2.410 1.00 5.31 H new ATOM 0 HE3 LYS B 70 9.057 9.843 -3.620 1.00 5.31 H new ATOM 0 HZ1 LYS B 70 11.011 10.870 -3.793 1.00 6.83 H new ATOM 0 HZ2 LYS B 70 10.183 12.012 -4.740 1.00 6.83 H new ATOM 0 HZ3 LYS B 70 10.454 12.312 -3.090 1.00 6.83 H new ATOM 2640 N GLU B 71 7.548 12.479 -0.817 1.00 0.64 N ATOM 2641 CA GLU B 71 8.866 12.794 -0.284 1.00 0.56 C ATOM 2642 C GLU B 71 8.968 12.230 1.131 1.00 0.58 C ATOM 2643 O GLU B 71 9.882 11.487 1.463 1.00 0.70 O ATOM 2644 CB GLU B 71 9.018 14.316 -0.246 1.00 0.67 C ATOM 2645 CG GLU B 71 9.083 14.982 -1.621 1.00 0.86 C ATOM 2646 CD GLU B 71 10.520 14.970 -2.145 1.00 1.37 C ATOM 2647 OE1 GLU B 71 11.294 15.900 -1.806 1.00 2.24 O ATOM 2648 OE2 GLU B 71 10.825 13.979 -2.848 1.00 2.43 O ATOM 0 H GLU B 71 7.054 13.308 -1.148 1.00 0.64 H new ATOM 0 HA GLU B 71 9.650 12.360 -0.905 1.00 0.56 H new ATOM 0 HB2 GLU B 71 8.180 14.738 0.309 1.00 0.67 H new ATOM 0 HB3 GLU B 71 9.924 14.564 0.307 1.00 0.67 H new ATOM 0 HG2 GLU B 71 8.429 14.458 -2.318 1.00 0.86 H new ATOM 0 HG3 GLU B 71 8.721 16.008 -1.554 1.00 0.86 H new ATOM 2655 N TYR B 72 7.930 12.490 1.918 1.00 0.56 N ATOM 2656 CA TYR B 72 7.853 12.102 3.330 1.00 0.55 C ATOM 2657 C TYR B 72 7.827 10.574 3.504 1.00 0.56 C ATOM 2658 O TYR B 72 8.599 10.013 4.278 1.00 0.56 O ATOM 2659 CB TYR B 72 6.611 12.789 3.912 1.00 0.60 C ATOM 2660 CG TYR B 72 6.120 12.291 5.255 1.00 0.63 C ATOM 2661 CD1 TYR B 72 7.006 12.153 6.340 1.00 1.56 C ATOM 2662 CD2 TYR B 72 4.750 12.028 5.440 1.00 1.69 C ATOM 2663 CE1 TYR B 72 6.519 11.831 7.617 1.00 1.61 C ATOM 2664 CE2 TYR B 72 4.259 11.679 6.711 1.00 1.72 C ATOM 2665 CZ TYR B 72 5.138 11.618 7.814 1.00 0.81 C ATOM 2666 OH TYR B 72 4.671 11.402 9.073 1.00 0.94 O ATOM 0 H TYR B 72 7.101 12.985 1.591 1.00 0.56 H new ATOM 0 HA TYR B 72 8.743 12.425 3.871 1.00 0.55 H new ATOM 0 HB2 TYR B 72 6.823 13.854 4.002 1.00 0.60 H new ATOM 0 HB3 TYR B 72 5.798 12.685 3.194 1.00 0.60 H new ATOM 0 HD1 TYR B 72 8.066 12.296 6.189 1.00 1.56 H new ATOM 0 HD2 TYR B 72 4.072 12.094 4.602 1.00 1.69 H new ATOM 0 HE1 TYR B 72 7.202 11.746 8.449 1.00 1.61 H new ATOM 0 HE2 TYR B 72 3.210 11.458 6.843 1.00 1.72 H new ATOM 0 HH TYR B 72 3.693 11.464 9.074 1.00 0.94 H new ATOM 2676 N SER B 73 6.992 9.890 2.721 1.00 0.61 N ATOM 2677 CA SER B 73 6.916 8.433 2.661 1.00 0.73 C ATOM 2678 C SER B 73 8.224 7.798 2.201 1.00 0.67 C ATOM 2679 O SER B 73 8.713 6.913 2.904 1.00 0.67 O ATOM 2680 CB SER B 73 5.781 8.023 1.727 1.00 0.98 C ATOM 2681 OG SER B 73 5.832 6.638 1.442 1.00 1.80 O ATOM 0 H SER B 73 6.332 10.349 2.094 1.00 0.61 H new ATOM 0 HA SER B 73 6.724 8.071 3.671 1.00 0.73 H new ATOM 0 HB2 SER B 73 4.823 8.268 2.185 1.00 0.98 H new ATOM 0 HB3 SER B 73 5.846 8.591 0.799 1.00 0.98 H new ATOM 0 HG SER B 73 4.923 6.298 1.309 1.00 1.80 H new ATOM 2687 N VAL B 74 8.822 8.233 1.081 1.00 0.68 N ATOM 2688 CA VAL B 74 10.087 7.649 0.623 1.00 0.68 C ATOM 2689 C VAL B 74 11.204 7.907 1.627 1.00 0.61 C ATOM 2690 O VAL B 74 12.053 7.048 1.768 1.00 0.61 O ATOM 2691 CB VAL B 74 10.557 8.070 -0.786 1.00 0.74 C ATOM 2692 CG1 VAL B 74 9.553 7.651 -1.865 1.00 0.87 C ATOM 2693 CG2 VAL B 74 10.933 9.548 -0.960 1.00 0.69 C ATOM 0 H VAL B 74 8.455 8.975 0.486 1.00 0.68 H new ATOM 0 HA VAL B 74 9.865 6.584 0.549 1.00 0.68 H new ATOM 0 HB VAL B 74 11.492 7.525 -0.910 1.00 0.74 H new ATOM 0 HG11 VAL B 74 9.918 7.964 -2.843 1.00 0.87 H new ATOM 0 HG12 VAL B 74 9.436 6.567 -1.852 1.00 0.87 H new ATOM 0 HG13 VAL B 74 8.590 8.123 -1.669 1.00 0.87 H new ATOM 0 HG21 VAL B 74 11.247 9.725 -1.989 1.00 0.69 H new ATOM 0 HG22 VAL B 74 10.069 10.172 -0.732 1.00 0.69 H new ATOM 0 HG23 VAL B 74 11.750 9.798 -0.283 1.00 0.69 H new ATOM 2703 N PHE B 75 11.189 9.022 2.366 1.00 0.56 N ATOM 2704 CA PHE B 75 12.194 9.310 3.386 1.00 0.55 C ATOM 2705 C PHE B 75 12.041 8.395 4.605 1.00 0.57 C ATOM 2706 O PHE B 75 13.030 7.817 5.047 1.00 0.58 O ATOM 2707 CB PHE B 75 12.081 10.785 3.778 1.00 0.55 C ATOM 2708 CG PHE B 75 13.366 11.406 4.250 1.00 0.49 C ATOM 2709 CD1 PHE B 75 13.815 11.233 5.572 1.00 1.85 C ATOM 2710 CD2 PHE B 75 14.095 12.215 3.363 1.00 2.04 C ATOM 2711 CE1 PHE B 75 14.950 11.925 6.027 1.00 1.76 C ATOM 2712 CE2 PHE B 75 15.214 12.914 3.816 1.00 2.16 C ATOM 2713 CZ PHE B 75 15.634 12.784 5.148 1.00 0.63 C ATOM 0 H PHE B 75 10.478 9.748 2.271 1.00 0.56 H new ATOM 0 HA PHE B 75 13.186 9.115 2.979 1.00 0.55 H new ATOM 0 HB2 PHE B 75 11.714 11.348 2.920 1.00 0.55 H new ATOM 0 HB3 PHE B 75 11.335 10.882 4.566 1.00 0.55 H new ATOM 0 HD1 PHE B 75 13.286 10.567 6.238 1.00 1.85 H new ATOM 0 HD2 PHE B 75 13.789 12.296 2.330 1.00 2.04 H new ATOM 0 HE1 PHE B 75 15.294 11.798 7.043 1.00 1.76 H new ATOM 0 HE2 PHE B 75 15.758 13.557 3.140 1.00 2.16 H new ATOM 0 HZ PHE B 75 16.486 13.346 5.500 1.00 0.63 H new ATOM 2723 N LEU B 76 10.819 8.191 5.119 1.00 0.62 N ATOM 2724 CA LEU B 76 10.569 7.235 6.208 1.00 0.66 C ATOM 2725 C LEU B 76 10.867 5.788 5.785 1.00 0.69 C ATOM 2726 O LEU B 76 11.486 5.041 6.546 1.00 0.74 O ATOM 2727 CB LEU B 76 9.107 7.341 6.679 1.00 0.69 C ATOM 2728 CG LEU B 76 8.728 8.621 7.447 1.00 0.71 C ATOM 2729 CD1 LEU B 76 7.258 8.512 7.872 1.00 1.24 C ATOM 2730 CD2 LEU B 76 9.606 8.831 8.686 1.00 1.02 C ATOM 0 H LEU B 76 9.984 8.679 4.795 1.00 0.62 H new ATOM 0 HA LEU B 76 11.243 7.491 7.025 1.00 0.66 H new ATOM 0 HB2 LEU B 76 8.460 7.262 5.806 1.00 0.69 H new ATOM 0 HB3 LEU B 76 8.890 6.483 7.315 1.00 0.69 H new ATOM 0 HG LEU B 76 8.884 9.477 6.791 1.00 0.71 H new ATOM 0 HD11 LEU B 76 6.970 9.410 8.418 1.00 1.24 H new ATOM 0 HD12 LEU B 76 6.630 8.408 6.987 1.00 1.24 H new ATOM 0 HD13 LEU B 76 7.128 7.640 8.513 1.00 1.24 H new ATOM 0 HD21 LEU B 76 9.303 9.745 9.196 1.00 1.02 H new ATOM 0 HD22 LEU B 76 9.491 7.983 9.361 1.00 1.02 H new ATOM 0 HD23 LEU B 76 10.650 8.914 8.383 1.00 1.02 H new ATOM 2742 N THR B 77 10.451 5.410 4.574 1.00 0.68 N ATOM 2743 CA THR B 77 10.652 4.070 4.001 1.00 0.72 C ATOM 2744 C THR B 77 12.136 3.813 3.755 1.00 0.76 C ATOM 2745 O THR B 77 12.628 2.740 4.084 1.00 0.88 O ATOM 2746 CB THR B 77 9.837 3.921 2.713 1.00 0.71 C ATOM 2747 OG1 THR B 77 8.493 4.256 2.964 1.00 0.72 O ATOM 2748 CG2 THR B 77 9.840 2.478 2.228 1.00 0.86 C ATOM 0 H THR B 77 9.952 6.041 3.946 1.00 0.68 H new ATOM 0 HA THR B 77 10.300 3.322 4.711 1.00 0.72 H new ATOM 0 HB THR B 77 10.286 4.575 1.965 1.00 0.71 H new ATOM 0 HG1 THR B 77 8.370 5.222 2.851 1.00 0.72 H new ATOM 0 HG21 THR B 77 9.254 2.401 1.312 1.00 0.86 H new ATOM 0 HG22 THR B 77 10.865 2.163 2.031 1.00 0.86 H new ATOM 0 HG23 THR B 77 9.404 1.836 2.993 1.00 0.86 H new ATOM 2756 N MET B 78 12.857 4.817 3.249 1.00 0.69 N ATOM 2757 CA MET B 78 14.310 4.807 3.061 1.00 0.71 C ATOM 2758 C MET B 78 15.051 4.679 4.384 1.00 0.76 C ATOM 2759 O MET B 78 15.995 3.898 4.459 1.00 0.82 O ATOM 2760 CB MET B 78 14.728 6.083 2.314 1.00 0.67 C ATOM 2761 CG MET B 78 16.229 6.287 2.130 1.00 0.90 C ATOM 2762 SD MET B 78 16.661 7.475 0.830 1.00 1.22 S ATOM 2763 CE MET B 78 15.543 8.854 1.207 1.00 1.27 C ATOM 0 H MET B 78 12.428 5.692 2.948 1.00 0.69 H new ATOM 0 HA MET B 78 14.580 3.933 2.468 1.00 0.71 H new ATOM 0 HB2 MET B 78 14.259 6.075 1.330 1.00 0.67 H new ATOM 0 HB3 MET B 78 14.327 6.943 2.851 1.00 0.67 H new ATOM 0 HG2 MET B 78 16.657 6.626 3.073 1.00 0.90 H new ATOM 0 HG3 MET B 78 16.689 5.327 1.897 1.00 0.90 H new ATOM 0 HE1 MET B 78 15.930 9.769 0.759 1.00 1.27 H new ATOM 0 HE2 MET B 78 14.554 8.642 0.801 1.00 1.27 H new ATOM 0 HE3 MET B 78 15.473 8.980 2.287 1.00 1.27 H new ATOM 2773 N LEU B 79 14.638 5.389 5.439 1.00 0.77 N ATOM 2774 CA LEU B 79 15.253 5.257 6.764 1.00 0.87 C ATOM 2775 C LEU B 79 14.994 3.890 7.400 1.00 0.91 C ATOM 2776 O LEU B 79 15.931 3.294 7.910 1.00 0.99 O ATOM 2777 CB LEU B 79 14.843 6.442 7.659 1.00 0.92 C ATOM 2778 CG LEU B 79 15.949 7.510 7.779 1.00 1.13 C ATOM 2779 CD1 LEU B 79 16.560 7.922 6.430 1.00 2.65 C ATOM 2780 CD2 LEU B 79 15.405 8.741 8.516 1.00 1.59 C ATOM 0 H LEU B 79 13.875 6.065 5.400 1.00 0.77 H new ATOM 0 HA LEU B 79 16.336 5.301 6.646 1.00 0.87 H new ATOM 0 HB2 LEU B 79 13.942 6.903 7.254 1.00 0.92 H new ATOM 0 HB3 LEU B 79 14.593 6.071 8.653 1.00 0.92 H new ATOM 0 HG LEU B 79 16.759 7.056 8.350 1.00 1.13 H new ATOM 0 HD11 LEU B 79 17.330 8.676 6.594 1.00 2.65 H new ATOM 0 HD12 LEU B 79 17.003 7.050 5.950 1.00 2.65 H new ATOM 0 HD13 LEU B 79 15.781 8.333 5.788 1.00 2.65 H new ATOM 0 HD21 LEU B 79 16.190 9.492 8.598 1.00 1.59 H new ATOM 0 HD22 LEU B 79 14.563 9.155 7.961 1.00 1.59 H new ATOM 0 HD23 LEU B 79 15.074 8.451 9.513 1.00 1.59 H new ATOM 2792 N CYS B 80 13.787 3.337 7.290 1.00 0.92 N ATOM 2793 CA CYS B 80 13.524 1.953 7.691 1.00 1.03 C ATOM 2794 C CYS B 80 14.430 0.957 6.930 1.00 1.01 C ATOM 2795 O CYS B 80 15.010 0.048 7.523 1.00 1.15 O ATOM 2796 CB CYS B 80 12.024 1.719 7.473 1.00 1.10 C ATOM 2797 SG CYS B 80 11.569 0.045 7.982 1.00 1.56 S ATOM 0 H CYS B 80 12.971 3.828 6.925 1.00 0.92 H new ATOM 0 HA CYS B 80 13.769 1.782 8.739 1.00 1.03 H new ATOM 0 HB2 CYS B 80 11.449 2.449 8.043 1.00 1.10 H new ATOM 0 HB3 CYS B 80 11.775 1.867 6.422 1.00 1.10 H new ATOM 0 HG CYS B 80 12.057 -0.197 9.162 1.00 1.56 H new ATOM 2803 N MET B 81 14.639 1.181 5.631 1.00 0.93 N ATOM 2804 CA MET B 81 15.559 0.402 4.798 1.00 0.99 C ATOM 2805 C MET B 81 17.044 0.645 5.133 1.00 0.94 C ATOM 2806 O MET B 81 17.882 -0.197 4.800 1.00 1.11 O ATOM 2807 CB MET B 81 15.227 0.712 3.329 1.00 1.08 C ATOM 2808 CG MET B 81 15.917 -0.240 2.349 1.00 1.88 C ATOM 2809 SD MET B 81 15.241 -0.163 0.671 1.00 2.54 S ATOM 2810 CE MET B 81 13.833 -1.287 0.892 1.00 3.45 C ATOM 0 H MET B 81 14.164 1.924 5.118 1.00 0.93 H new ATOM 0 HA MET B 81 15.417 -0.660 5.000 1.00 0.99 H new ATOM 0 HB2 MET B 81 14.148 0.654 3.185 1.00 1.08 H new ATOM 0 HB3 MET B 81 15.524 1.736 3.103 1.00 1.08 H new ATOM 0 HG2 MET B 81 16.981 -0.005 2.315 1.00 1.88 H new ATOM 0 HG3 MET B 81 15.828 -1.260 2.722 1.00 1.88 H new ATOM 0 HE1 MET B 81 12.988 -0.931 0.303 1.00 3.45 H new ATOM 0 HE2 MET B 81 14.111 -2.288 0.561 1.00 3.45 H new ATOM 0 HE3 MET B 81 13.554 -1.318 1.945 1.00 3.45 H new ATOM 2820 N ALA B 82 17.366 1.769 5.784 1.00 0.86 N ATOM 2821 CA ALA B 82 18.720 2.195 6.147 1.00 0.92 C ATOM 2822 C ALA B 82 19.262 1.559 7.445 1.00 0.91 C ATOM 2823 O ALA B 82 20.430 1.788 7.769 1.00 1.09 O ATOM 2824 CB ALA B 82 18.762 3.729 6.235 1.00 1.01 C ATOM 0 H ALA B 82 16.656 2.436 6.085 1.00 0.86 H new ATOM 0 HA ALA B 82 19.382 1.837 5.358 1.00 0.92 H new ATOM 0 HB1 ALA B 82 19.768 4.051 6.505 1.00 1.01 H new ATOM 0 HB2 ALA B 82 18.491 4.156 5.270 1.00 1.01 H new ATOM 0 HB3 ALA B 82 18.057 4.069 6.993 1.00 1.01 H new ATOM 2830 N TYR B 83 18.438 0.825 8.208 1.00 0.89 N ATOM 2831 CA TYR B 83 18.845 0.279 9.515 1.00 0.95 C ATOM 2832 C TYR B 83 18.011 -0.862 10.120 1.00 1.06 C ATOM 2833 O TYR B 83 18.509 -1.474 11.061 1.00 1.47 O ATOM 2834 CB TYR B 83 19.014 1.408 10.542 1.00 1.07 C ATOM 2835 CG TYR B 83 17.871 2.395 10.711 1.00 1.20 C ATOM 2836 CD1 TYR B 83 16.693 2.023 11.384 1.00 1.72 C ATOM 2837 CD2 TYR B 83 18.026 3.718 10.257 1.00 2.76 C ATOM 2838 CE1 TYR B 83 15.644 2.948 11.541 1.00 1.75 C ATOM 2839 CE2 TYR B 83 17.004 4.665 10.454 1.00 3.06 C ATOM 2840 CZ TYR B 83 15.794 4.270 11.070 1.00 1.80 C ATOM 2841 OH TYR B 83 14.782 5.170 11.216 1.00 2.17 O ATOM 0 H TYR B 83 17.481 0.594 7.942 1.00 0.89 H new ATOM 0 HA TYR B 83 19.792 -0.207 9.280 1.00 0.95 H new ATOM 0 HB2 TYR B 83 19.207 0.951 11.512 1.00 1.07 H new ATOM 0 HB3 TYR B 83 19.906 1.973 10.273 1.00 1.07 H new ATOM 0 HD1 TYR B 83 16.593 1.024 11.782 1.00 1.72 H new ATOM 0 HD2 TYR B 83 18.936 4.009 9.754 1.00 2.76 H new ATOM 0 HE1 TYR B 83 14.725 2.646 12.021 1.00 1.75 H new ATOM 0 HE2 TYR B 83 17.143 5.688 10.136 1.00 3.06 H new ATOM 0 HH TYR B 83 15.054 6.032 10.837 1.00 2.17 H new ATOM 2851 N ASN B 84 16.805 -1.190 9.639 1.00 1.19 N ATOM 2852 CA ASN B 84 16.057 -2.329 10.198 1.00 1.45 C ATOM 2853 C ASN B 84 16.622 -3.677 9.691 1.00 1.47 C ATOM 2854 O ASN B 84 16.062 -4.327 8.808 1.00 1.74 O ATOM 2855 CB ASN B 84 14.534 -2.169 9.987 1.00 1.79 C ATOM 2856 CG ASN B 84 13.887 -1.090 10.866 1.00 2.72 C ATOM 2857 OD1 ASN B 84 12.568 -0.961 10.841 1.00 3.79 O flip ATOM 2858 ND2 ASN B 84 14.534 -0.363 11.604 1.00 3.09 N flip ATOM 0 H ASN B 84 16.333 -0.697 8.881 1.00 1.19 H new ATOM 0 HA ASN B 84 16.201 -2.336 11.278 1.00 1.45 H new ATOM 0 HB2 ASN B 84 14.347 -1.929 8.940 1.00 1.79 H new ATOM 0 HB3 ASN B 84 14.048 -3.124 10.187 1.00 1.79 H new ATOM 0 HD21 ASN B 84 15.550 -0.446 11.639 1.00 3.09 H new ATOM 0 HD22 ASN B 84 14.058 0.327 12.186 1.00 3.09 H new ATOM 2865 N ASP B 85 17.743 -4.105 10.274 1.00 1.69 N ATOM 2866 CA ASP B 85 18.426 -5.377 10.009 1.00 1.75 C ATOM 2867 C ASP B 85 17.629 -6.598 10.492 1.00 1.84 C ATOM 2868 O ASP B 85 17.663 -7.647 9.853 1.00 2.00 O ATOM 2869 CB ASP B 85 19.826 -5.341 10.655 1.00 2.40 C ATOM 2870 CG ASP B 85 19.796 -5.406 12.194 1.00 3.53 C ATOM 2871 OD1 ASP B 85 18.998 -4.640 12.789 1.00 4.29 O ATOM 2872 OD2 ASP B 85 20.544 -6.241 12.751 1.00 4.58 O ATOM 0 H ASP B 85 18.225 -3.548 10.979 1.00 1.69 H new ATOM 0 HA ASP B 85 18.516 -5.489 8.929 1.00 1.75 H new ATOM 0 HB2 ASP B 85 20.414 -6.177 10.276 1.00 2.40 H new ATOM 0 HB3 ASP B 85 20.335 -4.428 10.348 1.00 2.40 H new ATOM 2877 N PHE B 86 16.845 -6.446 11.568 1.00 2.20 N ATOM 2878 CA PHE B 86 16.058 -7.516 12.195 1.00 2.69 C ATOM 2879 C PHE B 86 14.980 -8.174 11.302 1.00 2.66 C ATOM 2880 O PHE B 86 14.318 -9.106 11.759 1.00 3.22 O ATOM 2881 CB PHE B 86 15.443 -6.974 13.498 1.00 3.25 C ATOM 2882 CG PHE B 86 16.459 -6.553 14.544 1.00 3.76 C ATOM 2883 CD1 PHE B 86 17.243 -7.529 15.188 1.00 4.57 C ATOM 2884 CD2 PHE B 86 16.634 -5.195 14.862 1.00 4.34 C ATOM 2885 CE1 PHE B 86 18.207 -7.145 16.139 1.00 5.34 C ATOM 2886 CE2 PHE B 86 17.593 -4.811 15.815 1.00 5.14 C ATOM 2887 CZ PHE B 86 18.384 -5.785 16.450 1.00 5.42 C ATOM 0 H PHE B 86 16.738 -5.548 12.040 1.00 2.20 H new ATOM 0 HA PHE B 86 16.755 -8.331 12.391 1.00 2.69 H new ATOM 0 HB2 PHE B 86 14.811 -6.119 13.259 1.00 3.25 H new ATOM 0 HB3 PHE B 86 14.796 -7.740 13.926 1.00 3.25 H new ATOM 0 HD1 PHE B 86 17.105 -8.574 14.952 1.00 4.57 H new ATOM 0 HD2 PHE B 86 16.030 -4.445 14.373 1.00 4.34 H new ATOM 0 HE1 PHE B 86 18.810 -7.894 16.630 1.00 5.34 H new ATOM 0 HE2 PHE B 86 17.723 -3.767 16.060 1.00 5.14 H new ATOM 0 HZ PHE B 86 19.127 -5.489 17.176 1.00 5.42 H new ATOM 2897 N PHE B 87 14.783 -7.730 10.052 1.00 2.21 N ATOM 2898 CA PHE B 87 13.955 -8.442 9.067 1.00 2.47 C ATOM 2899 C PHE B 87 14.679 -8.740 7.742 1.00 2.33 C ATOM 2900 O PHE B 87 14.024 -9.107 6.772 1.00 2.77 O ATOM 2901 CB PHE B 87 12.572 -7.767 8.931 1.00 2.76 C ATOM 2902 CG PHE B 87 12.426 -6.648 7.912 1.00 2.62 C ATOM 2903 CD1 PHE B 87 13.058 -5.405 8.106 1.00 3.07 C ATOM 2904 CD2 PHE B 87 11.622 -6.842 6.776 1.00 3.76 C ATOM 2905 CE1 PHE B 87 12.912 -4.382 7.150 1.00 4.02 C ATOM 2906 CE2 PHE B 87 11.468 -5.821 5.824 1.00 4.74 C ATOM 2907 CZ PHE B 87 12.121 -4.590 6.007 1.00 4.69 C ATOM 0 H PHE B 87 15.193 -6.867 9.695 1.00 2.21 H new ATOM 0 HA PHE B 87 13.765 -9.444 9.452 1.00 2.47 H new ATOM 0 HB2 PHE B 87 11.845 -8.541 8.685 1.00 2.76 H new ATOM 0 HB3 PHE B 87 12.296 -7.369 9.907 1.00 2.76 H new ATOM 0 HD1 PHE B 87 13.656 -5.236 8.990 1.00 3.07 H new ATOM 0 HD2 PHE B 87 11.117 -7.786 6.633 1.00 3.76 H new ATOM 0 HE1 PHE B 87 13.409 -3.434 7.295 1.00 4.02 H new ATOM 0 HE2 PHE B 87 10.849 -5.981 4.953 1.00 4.74 H new ATOM 0 HZ PHE B 87 12.015 -3.806 5.272 1.00 4.69 H new ATOM 2917 N LEU B 88 16.017 -8.654 7.701 1.00 1.96 N ATOM 2918 CA LEU B 88 16.878 -8.845 6.526 1.00 2.02 C ATOM 2919 C LEU B 88 17.834 -10.050 6.638 1.00 2.54 C ATOM 2920 O LEU B 88 17.713 -10.903 7.519 1.00 2.93 O ATOM 2921 CB LEU B 88 17.637 -7.506 6.356 1.00 1.84 C ATOM 2922 CG LEU B 88 17.023 -6.548 5.331 1.00 2.65 C ATOM 2923 CD1 LEU B 88 17.398 -6.988 3.912 1.00 2.79 C ATOM 2924 CD2 LEU B 88 15.498 -6.363 5.428 1.00 4.12 C ATOM 0 H LEU B 88 16.558 -8.436 8.538 1.00 1.96 H new ATOM 0 HA LEU B 88 16.277 -9.090 5.651 1.00 2.02 H new ATOM 0 HB2 LEU B 88 17.680 -7.003 7.322 1.00 1.84 H new ATOM 0 HB3 LEU B 88 18.664 -7.721 6.062 1.00 1.84 H new ATOM 0 HG LEU B 88 17.448 -5.573 5.569 1.00 2.65 H new ATOM 0 HD11 LEU B 88 16.957 -6.301 3.190 1.00 2.79 H new ATOM 0 HD12 LEU B 88 18.483 -6.982 3.804 1.00 2.79 H new ATOM 0 HD13 LEU B 88 17.021 -7.995 3.732 1.00 2.79 H new ATOM 0 HD21 LEU B 88 15.166 -5.666 4.658 1.00 4.12 H new ATOM 0 HD22 LEU B 88 15.005 -7.324 5.284 1.00 4.12 H new ATOM 0 HD23 LEU B 88 15.241 -5.967 6.411 1.00 4.12 H new ATOM 2936 N GLU B 89 18.742 -10.150 5.669 1.00 2.92 N ATOM 2937 CA GLU B 89 19.812 -11.147 5.531 1.00 3.54 C ATOM 2938 C GLU B 89 21.161 -10.648 6.074 1.00 3.40 C ATOM 2939 O GLU B 89 22.052 -11.451 6.342 1.00 3.82 O ATOM 2940 CB GLU B 89 19.981 -11.451 4.034 1.00 4.32 C ATOM 2941 CG GLU B 89 18.963 -12.450 3.468 1.00 5.18 C ATOM 2942 CD GLU B 89 17.494 -12.032 3.577 1.00 5.53 C ATOM 2943 OE1 GLU B 89 17.190 -10.829 3.449 1.00 6.24 O ATOM 2944 OE2 GLU B 89 16.655 -12.923 3.856 1.00 5.73 O ATOM 0 H GLU B 89 18.753 -9.484 4.896 1.00 2.92 H new ATOM 0 HA GLU B 89 19.529 -12.028 6.107 1.00 3.54 H new ATOM 0 HB2 GLU B 89 19.904 -10.518 3.476 1.00 4.32 H new ATOM 0 HB3 GLU B 89 20.985 -11.841 3.867 1.00 4.32 H new ATOM 0 HG2 GLU B 89 19.196 -12.622 2.417 1.00 5.18 H new ATOM 0 HG3 GLU B 89 19.090 -13.402 3.983 1.00 5.18 H new ATOM 2951 N ASP B 90 21.313 -9.330 6.185 1.00 3.35 N ATOM 2952 CA ASP B 90 22.579 -8.628 6.374 1.00 3.95 C ATOM 2953 C ASP B 90 22.496 -7.380 7.276 1.00 5.18 C ATOM 2954 O ASP B 90 21.448 -6.749 7.410 1.00 5.96 O ATOM 2955 CB ASP B 90 23.129 -8.287 4.978 1.00 5.29 C ATOM 2956 CG ASP B 90 22.332 -7.211 4.224 1.00 6.48 C ATOM 2957 OD1 ASP B 90 21.098 -7.338 4.041 1.00 6.90 O ATOM 2958 OD2 ASP B 90 22.946 -6.215 3.771 1.00 7.64 O ATOM 0 H ASP B 90 20.518 -8.693 6.143 1.00 3.35 H new ATOM 0 HA ASP B 90 23.256 -9.288 6.916 1.00 3.95 H new ATOM 0 HB2 ASP B 90 24.161 -7.952 5.080 1.00 5.29 H new ATOM 0 HB3 ASP B 90 23.147 -9.196 4.377 1.00 5.29 H new ATOM 2963 N ASN B 91 23.629 -7.017 7.892 1.00 6.11 N ATOM 2964 CA ASN B 91 23.753 -5.900 8.835 1.00 8.02 C ATOM 2965 C ASN B 91 23.726 -4.514 8.146 1.00 8.49 C ATOM 2966 O ASN B 91 24.763 -3.988 7.729 1.00 9.15 O ATOM 2967 CB ASN B 91 24.986 -6.118 9.742 1.00 9.27 C ATOM 2968 CG ASN B 91 26.263 -6.589 9.037 1.00 9.55 C ATOM 2969 OD1 ASN B 91 26.742 -7.691 9.259 1.00 9.90 O ATOM 2970 ND2 ASN B 91 26.856 -5.799 8.165 1.00 9.88 N ATOM 0 H ASN B 91 24.510 -7.508 7.743 1.00 6.11 H new ATOM 0 HA ASN B 91 22.869 -5.891 9.472 1.00 8.02 H new ATOM 0 HB2 ASN B 91 25.203 -5.183 10.258 1.00 9.27 H new ATOM 0 HB3 ASN B 91 24.725 -6.850 10.506 1.00 9.27 H new ATOM 0 HD21 ASN B 91 27.702 -6.111 7.687 1.00 9.88 H new ATOM 0 HD22 ASN B 91 26.469 -4.876 7.968 1.00 9.88 H new ATOM 2977 N LYS B 92 22.521 -3.944 8.019 1.00 8.49 N ATOM 2978 CA LYS B 92 22.231 -2.641 7.371 1.00 9.33 C ATOM 2979 C LYS B 92 22.827 -1.427 8.106 1.00 10.52 C ATOM 2980 O LYS B 92 22.530 -1.237 9.303 1.00 11.26 O ATOM 2981 CB LYS B 92 20.707 -2.443 7.164 1.00 9.75 C ATOM 2982 CG LYS B 92 19.887 -3.691 6.796 1.00 9.30 C ATOM 2983 CD LYS B 92 20.408 -4.517 5.613 1.00 8.21 C ATOM 2984 CE LYS B 92 20.226 -3.848 4.256 1.00 8.88 C ATOM 2985 NZ LYS B 92 20.778 -4.745 3.217 1.00 8.20 N ATOM 2986 OXT LYS B 92 23.481 -0.582 7.456 1.00 11.03 O ATOM 0 H LYS B 92 21.678 -4.392 8.379 1.00 8.49 H new ATOM 0 HA LYS B 92 22.728 -2.689 6.402 1.00 9.33 H new ATOM 0 HB2 LYS B 92 20.292 -2.022 8.080 1.00 9.75 H new ATOM 0 HB3 LYS B 92 20.565 -1.700 6.379 1.00 9.75 H new ATOM 0 HG2 LYS B 92 19.837 -4.339 7.671 1.00 9.30 H new ATOM 0 HG3 LYS B 92 18.867 -3.378 6.573 1.00 9.30 H new ATOM 0 HD2 LYS B 92 21.468 -4.721 5.766 1.00 8.21 H new ATOM 0 HD3 LYS B 92 19.896 -5.479 5.603 1.00 8.21 H new ATOM 0 HE2 LYS B 92 19.170 -3.653 4.067 1.00 8.88 H new ATOM 0 HE3 LYS B 92 20.736 -2.885 4.236 1.00 8.88 H new ATOM 0 HZ1 LYS B 92 20.602 -4.337 2.277 1.00 8.20 H new ATOM 0 HZ2 LYS B 92 21.802 -4.854 3.361 1.00 8.20 H new ATOM 0 HZ3 LYS B 92 20.318 -5.675 3.282 1.00 8.20 H new TER 3000 LYS B 92