USER MOD reduce.3.24.130724 H: found=0, std=0, add=1514, rem=0, adj=73 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 180:sc= 0.421 USER MOD Set 1.2: B 84 ASN : amide:sc= 0.455 X(o=0.88,f=0.81) USER MOD Set 2.1: B 32 LYS NZ :NH3+ 140:sc= 1.4 (180deg=0.0918) USER MOD Set 2.2: B 63 SER OG : rot 76:sc= 1.62 USER MOD Set 3.1: B 61 LYS NZ :NH3+ -167:sc= 1.11 (180deg=0) USER MOD Set 3.2: B 62 ASN : amide:sc= 1.55 K(o=3.2,f=-5.5) USER MOD Set 3.3: B 65 GLN : amide:sc= 0.502 K(o=3.2,f=-5.5) USER MOD Set 4.1: A 81 MET CE :methyl 176:sc= -0.338 (180deg=-0.356) USER MOD Set 4.2: B 70 LYS NZ :NH3+ -116:sc= 0.715 (180deg=-0.847!) USER MOD Set 5.1: A 80 CYS SG : rot -128:sc= 0.247 USER MOD Set 5.2: A 84 ASN : amide:sc= -1.96 K(o=-1.7,f=-5.1!) USER MOD Set 6.1: A 77 THR OG1 : rot 97:sc= 1.21 USER MOD Set 6.2: B 73 SER OG : rot -26:sc= 0.09 USER MOD Set 7.1: A 73 SER OG : rot 178:sc= 0.478 USER MOD Set 7.2: B 77 THR OG1 : rot 90:sc= 1.72 USER MOD Set 8.1: A 62 ASN : amide:sc= 0.0904 X(o=-0.76,f=-0.94) USER MOD Set 8.2: A 65 GLN : amide:sc= -0.851 K(o=-0.76,f=-3.5!) USER MOD Set 9.1: A 58 SER OG : rot 126:sc= 2.14 USER MOD Set 9.2: A 61 LYS NZ :NH3+ -108:sc= 1.91 (180deg=0.776) USER MOD Set10.1: A 25 SER OG : rot -133:sc= 1.89 USER MOD Set10.2: A 28 THR OG1 : rot -158:sc= 2.36 USER MOD Set11.1: A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set11.2: B 12 MET CE :methyl -145:sc= -0.0181 (180deg=-1.49) USER MOD Set12.1: A 1 MET CE :methyl -163:sc= 0 (180deg=0) USER MOD Set12.2: B 47 MET CE :methyl -126:sc= -0.625 (180deg=-1.4) USER MOD Single : A 1 MET N :NH3+ -101:sc= -0.399 (180deg=-1.57!) USER MOD Single : A 3 THR OG1 : rot 159:sc= 1.28 USER MOD Single : A 7 LYS NZ :NH3+ 168:sc= 1.99 (180deg=1.16) USER MOD Single : A 10 THR OG1 : rot 166:sc= 1.26 USER MOD Single : A 11 THR OG1 : rot 94:sc= 1.26 USER MOD Single : A 14 THR OG1 : rot 96:sc= 1.25 USER MOD Single : A 15 THR OG1 : rot 73:sc= 0.472 USER MOD Single : A 17 HIS : no HD1:sc=-0.00349 X(o=-0.0035,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 43:sc= 1.21 USER MOD Single : A 26 LYS NZ :NH3+ -152:sc= 2.38 (180deg=0.63) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0456 USER MOD Single : A 32 LYS NZ :NH3+ -154:sc= 1.3 (180deg=0.296) USER MOD Single : A 35 LYS NZ :NH3+ 140:sc= 1.23 (180deg=1.1) USER MOD Single : A 39 LYS NZ :NH3+ 170:sc= 1.68 (180deg=1.19) USER MOD Single : A 40 LYS NZ :NH3+ -114:sc= 0.0821 (180deg=-1.91!) USER MOD Single : A 43 CYS SG : rot -93:sc= 0.221 USER MOD Single : A 47 MET CE :methyl -126:sc= -0.159 (180deg=-1.07) USER MOD Single : A 48 LYS NZ :NH3+ 157:sc= -2.9 (180deg=-4.23!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -157:sc= 0.877 (180deg=-0.0257!) USER MOD Single : A 63 SER OG : rot 89:sc= -1.27! USER MOD Single : A 70 LYS NZ :NH3+ 164:sc= 1.69 (180deg=1.51) USER MOD Single : A 72 TYR OH : rot 157:sc= 1.12 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 167:sc= 0.196! (180deg=-0.57!) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -163:sc= -0.431 (180deg=-1.11!) USER MOD Single : B 3 THR OG1 : rot 148:sc= 0.283 USER MOD Single : B 7 LYS NZ :NH3+ 154:sc= 1.84 (180deg=0.408) USER MOD Single : B 10 THR OG1 : rot 89:sc= 1.23 USER MOD Single : B 11 THR OG1 : rot 82:sc= 1.17 USER MOD Single : B 14 THR OG1 : rot 97:sc= 1.24 USER MOD Single : B 15 THR OG1 : rot 85:sc= 1.22 USER MOD Single : B 17 HIS : no HD1:sc= -1.34 X(o=-1.3,f=-1.2) USER MOD Single : B 18 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0358) USER MOD Single : B 19 TYR OH : rot 30:sc=-0.00274 USER MOD Single : B 20 SER OG : rot 176:sc= 0.73 USER MOD Single : B 25 SER OG : rot 165:sc= 1.22 USER MOD Single : B 26 LYS NZ :NH3+ -155:sc= 2.36 (180deg=0.996) USER MOD Single : B 28 THR OG1 : rot 160:sc= 1.25 USER MOD Single : B 30 SER OG : rot 180:sc= 0.0631 USER MOD Single : B 35 LYS NZ :NH3+ 161:sc= 2.03 (180deg=0.322) USER MOD Single : B 39 LYS NZ :NH3+ -107:sc= 1.27 (180deg=-0.257) USER MOD Single : B 40 LYS NZ :NH3+ 149:sc= -0.0366 (180deg=-2.78!) USER MOD Single : B 43 CYS SG : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ -169:sc= 2.04 (180deg=1.77) USER MOD Single : B 50 SER OG : rot 180:sc= 0.00907 USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 56 MET CE :methyl 161:sc= -1.07 (180deg=-2.8!) USER MOD Single : B 57 LYS NZ :NH3+ -173:sc= 1.07 (180deg=1.03) USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 72 TYR OH : rot 177:sc= 0.0548 USER MOD Single : B 78 MET CE :methyl 169:sc= 0 (180deg=-0.242) USER MOD Single : B 81 MET CE :methyl -152:sc= -0.255 (180deg=-1.54!) USER MOD Single : B 83 TYR OH : rot 165:sc= 0 USER MOD Single : B 91 ASN : amide:sc= -0.0176 X(o=-0.018,f=0) USER MOD Single : B 92 LYS NZ :NH3+ -167:sc= 1.25 (180deg=0.968) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.640 -0.046 19.575 1.00 5.12 N ATOM 2 CA MET A 1 10.537 0.860 20.330 1.00 3.93 C ATOM 3 C MET A 1 9.731 1.957 21.038 1.00 2.68 C ATOM 4 O MET A 1 9.000 1.634 21.963 1.00 3.41 O ATOM 5 CB MET A 1 11.673 1.433 19.459 1.00 4.56 C ATOM 6 CG MET A 1 12.699 0.386 19.033 1.00 6.08 C ATOM 7 SD MET A 1 14.067 1.091 18.077 1.00 7.35 S ATOM 8 CE MET A 1 15.164 1.674 19.403 1.00 8.09 C ATOM 0 H1 MET A 1 9.493 -0.921 20.118 1.00 5.12 H new ATOM 0 H2 MET A 1 8.725 0.422 19.419 1.00 5.12 H new ATOM 0 H3 MET A 1 10.072 -0.276 18.657 1.00 5.12 H new ATOM 0 HA MET A 1 11.031 0.265 21.098 1.00 3.93 H new ATOM 0 HB2 MET A 1 11.242 1.892 18.569 1.00 4.56 H new ATOM 0 HB3 MET A 1 12.180 2.224 20.011 1.00 4.56 H new ATOM 0 HG2 MET A 1 13.098 -0.107 19.920 1.00 6.08 H new ATOM 0 HG3 MET A 1 12.203 -0.381 18.438 1.00 6.08 H new ATOM 0 HE1 MET A 1 15.883 2.384 18.995 1.00 8.09 H new ATOM 0 HE2 MET A 1 14.572 2.162 20.177 1.00 8.09 H new ATOM 0 HE3 MET A 1 15.696 0.826 19.834 1.00 8.09 H new ATOM 17 N GLU A 2 9.860 3.220 20.616 1.00 1.69 N ATOM 18 CA GLU A 2 9.643 4.454 21.369 1.00 1.46 C ATOM 19 C GLU A 2 8.293 5.137 21.046 1.00 1.02 C ATOM 20 O GLU A 2 7.339 4.958 21.804 1.00 1.68 O ATOM 21 CB GLU A 2 10.864 5.333 21.046 1.00 3.17 C ATOM 22 CG GLU A 2 11.049 6.575 21.914 1.00 4.62 C ATOM 23 CD GLU A 2 12.298 7.304 21.416 1.00 6.40 C ATOM 24 OE1 GLU A 2 12.175 8.009 20.389 1.00 7.18 O ATOM 25 OE2 GLU A 2 13.376 7.066 21.993 1.00 7.42 O ATOM 0 H GLU A 2 10.143 3.418 19.656 1.00 1.69 H new ATOM 0 HA GLU A 2 9.564 4.261 22.439 1.00 1.46 H new ATOM 0 HB2 GLU A 2 11.760 4.719 21.131 1.00 3.17 H new ATOM 0 HB3 GLU A 2 10.792 5.650 20.006 1.00 3.17 H new ATOM 0 HG2 GLU A 2 10.175 7.223 21.847 1.00 4.62 H new ATOM 0 HG3 GLU A 2 11.160 6.297 22.962 1.00 4.62 H new ATOM 32 N THR A 3 8.168 5.872 19.931 1.00 0.76 N ATOM 33 CA THR A 3 7.102 6.847 19.648 1.00 0.76 C ATOM 34 C THR A 3 5.912 6.289 18.857 1.00 0.79 C ATOM 35 O THR A 3 5.971 5.151 18.389 1.00 0.86 O ATOM 36 CB THR A 3 7.729 7.996 18.851 1.00 1.01 C ATOM 37 OG1 THR A 3 8.298 7.464 17.685 1.00 1.07 O ATOM 38 CG2 THR A 3 8.767 8.758 19.673 1.00 1.69 C ATOM 0 H THR A 3 8.838 5.800 19.166 1.00 0.76 H new ATOM 0 HA THR A 3 6.695 7.162 20.609 1.00 0.76 H new ATOM 0 HB THR A 3 6.955 8.718 18.591 1.00 1.01 H new ATOM 0 HG1 THR A 3 8.399 8.174 17.017 1.00 1.07 H new ATOM 0 HG21 THR A 3 9.187 9.564 19.071 1.00 1.69 H new ATOM 0 HG22 THR A 3 8.292 9.177 20.560 1.00 1.69 H new ATOM 0 HG23 THR A 3 9.563 8.077 19.975 1.00 1.69 H new ATOM 46 N PRO A 4 4.826 7.075 18.673 1.00 0.90 N ATOM 47 CA PRO A 4 3.673 6.706 17.852 1.00 0.97 C ATOM 48 C PRO A 4 4.018 6.461 16.373 1.00 0.87 C ATOM 49 O PRO A 4 3.582 5.452 15.830 1.00 0.91 O ATOM 50 CB PRO A 4 2.620 7.804 18.043 1.00 1.20 C ATOM 51 CG PRO A 4 3.367 8.959 18.705 1.00 1.26 C ATOM 52 CD PRO A 4 4.506 8.267 19.447 1.00 1.20 C ATOM 0 HA PRO A 4 3.285 5.742 18.180 1.00 0.97 H new ATOM 0 HB2 PRO A 4 2.190 8.108 17.089 1.00 1.20 H new ATOM 0 HB3 PRO A 4 1.797 7.457 18.668 1.00 1.20 H new ATOM 0 HG2 PRO A 4 3.741 9.670 17.968 1.00 1.26 H new ATOM 0 HG3 PRO A 4 2.723 9.515 19.386 1.00 1.26 H new ATOM 0 HD2 PRO A 4 5.373 8.923 19.529 1.00 1.20 H new ATOM 0 HD3 PRO A 4 4.207 8.004 20.462 1.00 1.20 H new ATOM 60 N LEU A 5 4.821 7.314 15.719 1.00 0.82 N ATOM 61 CA LEU A 5 5.198 7.109 14.311 1.00 0.80 C ATOM 62 C LEU A 5 6.147 5.911 14.130 1.00 0.76 C ATOM 63 O LEU A 5 6.009 5.182 13.147 1.00 0.85 O ATOM 64 CB LEU A 5 5.718 8.437 13.725 1.00 0.88 C ATOM 65 CG LEU A 5 6.016 8.466 12.206 1.00 0.98 C ATOM 66 CD1 LEU A 5 4.963 7.773 11.326 1.00 1.76 C ATOM 67 CD2 LEU A 5 6.062 9.919 11.722 1.00 1.97 C ATOM 0 H LEU A 5 5.222 8.151 16.142 1.00 0.82 H new ATOM 0 HA LEU A 5 4.318 6.829 13.732 1.00 0.80 H new ATOM 0 HB2 LEU A 5 4.984 9.213 13.941 1.00 0.88 H new ATOM 0 HB3 LEU A 5 6.632 8.706 14.255 1.00 0.88 H new ATOM 0 HG LEU A 5 6.961 7.932 12.103 1.00 0.98 H new ATOM 0 HD11 LEU A 5 5.259 7.845 10.279 1.00 1.76 H new ATOM 0 HD12 LEU A 5 4.886 6.723 11.609 1.00 1.76 H new ATOM 0 HD13 LEU A 5 3.997 8.258 11.464 1.00 1.76 H new ATOM 0 HD21 LEU A 5 6.272 9.940 10.653 1.00 1.97 H new ATOM 0 HD22 LEU A 5 5.101 10.397 11.913 1.00 1.97 H new ATOM 0 HD23 LEU A 5 6.846 10.456 12.256 1.00 1.97 H new ATOM 79 N GLU A 6 6.976 5.582 15.126 1.00 0.80 N ATOM 80 CA GLU A 6 7.614 4.268 15.174 1.00 0.96 C ATOM 81 C GLU A 6 6.585 3.127 15.181 1.00 0.97 C ATOM 82 O GLU A 6 6.744 2.165 14.439 1.00 1.04 O ATOM 83 CB GLU A 6 8.567 4.164 16.373 1.00 1.13 C ATOM 84 CG GLU A 6 9.207 2.771 16.454 1.00 1.36 C ATOM 85 CD GLU A 6 8.525 1.798 17.417 1.00 2.85 C ATOM 86 OE1 GLU A 6 8.261 2.167 18.584 1.00 4.06 O ATOM 87 OE2 GLU A 6 8.477 0.577 17.167 1.00 3.72 O ATOM 0 H GLU A 6 7.217 6.201 15.900 1.00 0.80 H new ATOM 0 HA GLU A 6 8.202 4.161 14.262 1.00 0.96 H new ATOM 0 HB2 GLU A 6 9.347 4.921 16.288 1.00 1.13 H new ATOM 0 HB3 GLU A 6 8.021 4.371 17.294 1.00 1.13 H new ATOM 0 HG2 GLU A 6 9.208 2.330 15.457 1.00 1.36 H new ATOM 0 HG3 GLU A 6 10.249 2.884 16.754 1.00 1.36 H new ATOM 94 N LYS A 7 5.493 3.220 15.947 1.00 0.96 N ATOM 95 CA LYS A 7 4.447 2.181 15.885 1.00 1.01 C ATOM 96 C LYS A 7 3.857 2.068 14.477 1.00 0.91 C ATOM 97 O LYS A 7 3.519 0.960 14.062 1.00 0.99 O ATOM 98 CB LYS A 7 3.290 2.365 16.889 1.00 1.16 C ATOM 99 CG LYS A 7 3.648 2.766 18.305 1.00 1.42 C ATOM 100 CD LYS A 7 4.810 1.988 18.924 1.00 2.23 C ATOM 101 CE LYS A 7 5.101 2.760 20.204 1.00 3.39 C ATOM 102 NZ LYS A 7 6.495 2.578 20.652 1.00 4.12 N ATOM 0 H LYS A 7 5.308 3.980 16.602 1.00 0.96 H new ATOM 0 HA LYS A 7 4.968 1.265 16.163 1.00 1.01 H new ATOM 0 HB2 LYS A 7 2.613 3.119 16.487 1.00 1.16 H new ATOM 0 HB3 LYS A 7 2.733 1.429 16.935 1.00 1.16 H new ATOM 0 HG2 LYS A 7 3.896 3.827 18.314 1.00 1.42 H new ATOM 0 HG3 LYS A 7 2.768 2.638 18.936 1.00 1.42 H new ATOM 0 HD2 LYS A 7 4.537 0.953 19.131 1.00 2.23 H new ATOM 0 HD3 LYS A 7 5.676 1.963 18.263 1.00 2.23 H new ATOM 0 HE2 LYS A 7 4.908 3.820 20.040 1.00 3.39 H new ATOM 0 HE3 LYS A 7 4.421 2.430 20.990 1.00 3.39 H new ATOM 0 HZ1 LYS A 7 6.713 3.268 21.399 1.00 4.12 H new ATOM 0 HZ2 LYS A 7 6.617 1.615 21.025 1.00 4.12 H new ATOM 0 HZ3 LYS A 7 7.139 2.722 19.849 1.00 4.12 H new ATOM 116 N ALA A 8 3.732 3.174 13.737 1.00 0.84 N ATOM 117 CA ALA A 8 3.214 3.154 12.372 1.00 0.82 C ATOM 118 C ALA A 8 4.162 2.407 11.419 1.00 0.70 C ATOM 119 O ALA A 8 3.708 1.526 10.690 1.00 0.67 O ATOM 120 CB ALA A 8 2.924 4.583 11.903 1.00 0.95 C ATOM 0 H ALA A 8 3.987 4.104 14.069 1.00 0.84 H new ATOM 0 HA ALA A 8 2.275 2.601 12.361 1.00 0.82 H new ATOM 0 HB1 ALA A 8 2.538 4.560 10.884 1.00 0.95 H new ATOM 0 HB2 ALA A 8 2.184 5.039 12.561 1.00 0.95 H new ATOM 0 HB3 ALA A 8 3.843 5.168 11.930 1.00 0.95 H new ATOM 126 N LEU A 9 5.469 2.701 11.466 1.00 0.71 N ATOM 127 CA LEU A 9 6.484 1.992 10.675 1.00 0.69 C ATOM 128 C LEU A 9 6.610 0.524 11.103 1.00 0.68 C ATOM 129 O LEU A 9 6.619 -0.347 10.230 1.00 0.69 O ATOM 130 CB LEU A 9 7.840 2.729 10.756 1.00 0.73 C ATOM 131 CG LEU A 9 8.088 3.811 9.680 1.00 0.69 C ATOM 132 CD1 LEU A 9 8.196 3.210 8.267 1.00 0.85 C ATOM 133 CD2 LEU A 9 7.018 4.910 9.700 1.00 0.82 C ATOM 0 H LEU A 9 5.853 3.440 12.056 1.00 0.71 H new ATOM 0 HA LEU A 9 6.162 1.989 9.634 1.00 0.69 H new ATOM 0 HB2 LEU A 9 7.919 3.196 11.738 1.00 0.73 H new ATOM 0 HB3 LEU A 9 8.638 1.989 10.690 1.00 0.73 H new ATOM 0 HG LEU A 9 9.046 4.265 9.934 1.00 0.69 H new ATOM 0 HD11 LEU A 9 8.370 4.008 7.545 1.00 0.85 H new ATOM 0 HD12 LEU A 9 9.025 2.504 8.235 1.00 0.85 H new ATOM 0 HD13 LEU A 9 7.269 2.693 8.020 1.00 0.85 H new ATOM 0 HD21 LEU A 9 7.237 5.645 8.926 1.00 0.82 H new ATOM 0 HD22 LEU A 9 6.039 4.468 9.514 1.00 0.82 H new ATOM 0 HD23 LEU A 9 7.016 5.398 10.674 1.00 0.82 H new ATOM 145 N THR A 10 6.623 0.237 12.414 1.00 0.70 N ATOM 146 CA THR A 10 6.612 -1.125 12.971 1.00 0.77 C ATOM 147 C THR A 10 5.393 -1.906 12.486 1.00 0.78 C ATOM 148 O THR A 10 5.546 -3.048 12.060 1.00 0.83 O ATOM 149 CB THR A 10 6.742 -1.069 14.496 1.00 0.94 C ATOM 150 OG1 THR A 10 8.056 -0.633 14.763 1.00 1.17 O ATOM 151 CG2 THR A 10 6.564 -2.433 15.156 1.00 1.15 C ATOM 0 H THR A 10 6.642 0.961 13.132 1.00 0.70 H new ATOM 0 HA THR A 10 7.477 -1.677 12.604 1.00 0.77 H new ATOM 0 HB THR A 10 5.968 -0.411 14.892 1.00 0.94 H new ATOM 0 HG1 THR A 10 8.126 -0.362 15.702 1.00 1.17 H new ATOM 0 HG21 THR A 10 6.667 -2.331 16.236 1.00 1.15 H new ATOM 0 HG22 THR A 10 5.574 -2.825 14.921 1.00 1.15 H new ATOM 0 HG23 THR A 10 7.324 -3.120 14.783 1.00 1.15 H new ATOM 159 N THR A 11 4.204 -1.288 12.435 1.00 0.77 N ATOM 160 CA THR A 11 2.980 -1.880 11.857 1.00 0.78 C ATOM 161 C THR A 11 3.137 -2.120 10.357 1.00 0.72 C ATOM 162 O THR A 11 2.798 -3.202 9.891 1.00 0.72 O ATOM 163 CB THR A 11 1.764 -0.995 12.140 1.00 0.83 C ATOM 164 OG1 THR A 11 1.615 -0.859 13.530 1.00 1.08 O ATOM 165 CG2 THR A 11 0.436 -1.548 11.609 1.00 0.85 C ATOM 0 H THR A 11 4.059 -0.346 12.799 1.00 0.77 H new ATOM 0 HA THR A 11 2.819 -2.847 12.335 1.00 0.78 H new ATOM 0 HB THR A 11 1.962 -0.054 11.628 1.00 0.83 H new ATOM 0 HG1 THR A 11 2.072 -0.045 13.830 1.00 1.08 H new ATOM 0 HG21 THR A 11 -0.370 -0.857 11.854 1.00 0.85 H new ATOM 0 HG22 THR A 11 0.497 -1.665 10.527 1.00 0.85 H new ATOM 0 HG23 THR A 11 0.236 -2.516 12.068 1.00 0.85 H new ATOM 173 N MET A 12 3.700 -1.165 9.604 1.00 0.70 N ATOM 174 CA MET A 12 3.946 -1.334 8.163 1.00 0.67 C ATOM 175 C MET A 12 4.860 -2.528 7.870 1.00 0.65 C ATOM 176 O MET A 12 4.528 -3.319 6.990 1.00 0.63 O ATOM 177 CB MET A 12 4.542 -0.070 7.523 1.00 0.68 C ATOM 178 CG MET A 12 3.514 1.036 7.305 1.00 0.90 C ATOM 179 SD MET A 12 4.221 2.530 6.570 1.00 0.98 S ATOM 180 CE MET A 12 2.941 2.882 5.339 1.00 0.65 C ATOM 0 H MET A 12 3.996 -0.261 9.971 1.00 0.70 H new ATOM 0 HA MET A 12 2.969 -1.523 7.719 1.00 0.67 H new ATOM 0 HB2 MET A 12 5.343 0.308 8.158 1.00 0.68 H new ATOM 0 HB3 MET A 12 4.992 -0.333 6.566 1.00 0.68 H new ATOM 0 HG2 MET A 12 2.719 0.662 6.660 1.00 0.90 H new ATOM 0 HG3 MET A 12 3.056 1.291 8.261 1.00 0.90 H new ATOM 0 HE1 MET A 12 3.209 3.780 4.782 1.00 0.65 H new ATOM 0 HE2 MET A 12 2.856 2.041 4.651 1.00 0.65 H new ATOM 0 HE3 MET A 12 1.986 3.038 5.841 1.00 0.65 H new ATOM 190 N VAL A 13 5.977 -2.677 8.590 1.00 0.69 N ATOM 191 CA VAL A 13 6.888 -3.834 8.418 1.00 0.75 C ATOM 192 C VAL A 13 6.273 -5.138 8.940 1.00 0.80 C ATOM 193 O VAL A 13 6.454 -6.178 8.308 1.00 0.86 O ATOM 194 CB VAL A 13 8.316 -3.627 8.994 1.00 0.78 C ATOM 195 CG1 VAL A 13 9.066 -2.488 8.284 1.00 0.80 C ATOM 196 CG2 VAL A 13 8.343 -3.370 10.501 1.00 0.77 C ATOM 0 H VAL A 13 6.280 -2.013 9.302 1.00 0.69 H new ATOM 0 HA VAL A 13 7.014 -3.916 7.338 1.00 0.75 H new ATOM 0 HB VAL A 13 8.821 -4.575 8.807 1.00 0.78 H new ATOM 0 HG11 VAL A 13 10.059 -2.379 8.720 1.00 0.80 H new ATOM 0 HG12 VAL A 13 9.158 -2.719 7.223 1.00 0.80 H new ATOM 0 HG13 VAL A 13 8.513 -1.557 8.406 1.00 0.80 H new ATOM 0 HG21 VAL A 13 9.374 -3.235 10.829 1.00 0.77 H new ATOM 0 HG22 VAL A 13 7.770 -2.471 10.727 1.00 0.77 H new ATOM 0 HG23 VAL A 13 7.904 -4.220 11.023 1.00 0.77 H new ATOM 206 N THR A 14 5.465 -5.085 10.013 1.00 0.82 N ATOM 207 CA THR A 14 4.710 -6.236 10.541 1.00 0.89 C ATOM 208 C THR A 14 3.719 -6.771 9.510 1.00 0.91 C ATOM 209 O THR A 14 3.661 -7.986 9.322 1.00 1.09 O ATOM 210 CB THR A 14 4.003 -5.869 11.853 1.00 0.92 C ATOM 211 OG1 THR A 14 4.976 -5.532 12.811 1.00 1.09 O ATOM 212 CG2 THR A 14 3.199 -7.029 12.444 1.00 1.24 C ATOM 0 H THR A 14 5.315 -4.228 10.546 1.00 0.82 H new ATOM 0 HA THR A 14 5.422 -7.034 10.754 1.00 0.89 H new ATOM 0 HB THR A 14 3.324 -5.048 11.623 1.00 0.92 H new ATOM 0 HG1 THR A 14 5.091 -4.559 12.832 1.00 1.09 H new ATOM 0 HG21 THR A 14 2.723 -6.707 13.370 1.00 1.24 H new ATOM 0 HG22 THR A 14 2.435 -7.342 11.733 1.00 1.24 H new ATOM 0 HG23 THR A 14 3.866 -7.866 12.651 1.00 1.24 H new ATOM 220 N THR A 15 2.974 -5.902 8.808 1.00 0.75 N ATOM 221 CA THR A 15 2.019 -6.316 7.761 1.00 0.74 C ATOM 222 C THR A 15 2.736 -6.783 6.493 1.00 0.75 C ATOM 223 O THR A 15 2.384 -7.843 5.979 1.00 0.88 O ATOM 224 CB THR A 15 1.013 -5.198 7.452 1.00 0.69 C ATOM 225 OG1 THR A 15 0.498 -4.665 8.649 1.00 2.02 O ATOM 226 CG2 THR A 15 -0.191 -5.745 6.689 1.00 1.43 C ATOM 0 H THR A 15 3.015 -4.893 8.948 1.00 0.75 H new ATOM 0 HA THR A 15 1.461 -7.168 8.150 1.00 0.74 H new ATOM 0 HB THR A 15 1.543 -4.447 6.866 1.00 0.69 H new ATOM 0 HG1 THR A 15 1.183 -4.116 9.084 1.00 2.02 H new ATOM 0 HG21 THR A 15 -0.889 -4.934 6.482 1.00 1.43 H new ATOM 0 HG22 THR A 15 0.143 -6.185 5.749 1.00 1.43 H new ATOM 0 HG23 THR A 15 -0.687 -6.507 7.290 1.00 1.43 H new ATOM 234 N PHE A 16 3.751 -6.048 6.018 1.00 0.68 N ATOM 235 CA PHE A 16 4.571 -6.405 4.844 1.00 0.68 C ATOM 236 C PHE A 16 5.271 -7.759 5.005 1.00 0.70 C ATOM 237 O PHE A 16 5.303 -8.549 4.063 1.00 0.68 O ATOM 238 CB PHE A 16 5.608 -5.295 4.603 1.00 0.73 C ATOM 239 CG PHE A 16 6.490 -5.449 3.370 1.00 0.74 C ATOM 240 CD1 PHE A 16 6.070 -4.928 2.128 1.00 1.65 C ATOM 241 CD2 PHE A 16 7.764 -6.038 3.471 1.00 2.33 C ATOM 242 CE1 PHE A 16 6.925 -4.980 1.008 1.00 1.63 C ATOM 243 CE2 PHE A 16 8.617 -6.088 2.350 1.00 2.35 C ATOM 244 CZ PHE A 16 8.196 -5.572 1.110 1.00 0.80 C ATOM 0 H PHE A 16 4.034 -5.167 6.447 1.00 0.68 H new ATOM 0 HA PHE A 16 3.907 -6.498 3.985 1.00 0.68 H new ATOM 0 HB2 PHE A 16 5.080 -4.344 4.529 1.00 0.73 H new ATOM 0 HB3 PHE A 16 6.253 -5.234 5.479 1.00 0.73 H new ATOM 0 HD1 PHE A 16 5.089 -4.487 2.035 1.00 1.65 H new ATOM 0 HD2 PHE A 16 8.090 -6.454 4.413 1.00 2.33 H new ATOM 0 HE1 PHE A 16 6.601 -4.562 0.066 1.00 1.63 H new ATOM 0 HE2 PHE A 16 9.600 -6.525 2.443 1.00 2.35 H new ATOM 0 HZ PHE A 16 8.842 -5.630 0.247 1.00 0.80 H new ATOM 254 N HIS A 17 5.795 -8.068 6.192 1.00 0.79 N ATOM 255 CA HIS A 17 6.497 -9.327 6.454 1.00 0.82 C ATOM 256 C HIS A 17 5.602 -10.566 6.212 1.00 0.75 C ATOM 257 O HIS A 17 6.086 -11.595 5.749 1.00 0.81 O ATOM 258 CB HIS A 17 7.056 -9.282 7.884 1.00 0.98 C ATOM 259 CG HIS A 17 7.868 -10.492 8.259 1.00 1.32 C ATOM 260 ND1 HIS A 17 7.531 -11.446 9.195 1.00 2.22 N ATOM 261 CD2 HIS A 17 9.087 -10.842 7.745 1.00 1.44 C ATOM 262 CE1 HIS A 17 8.522 -12.351 9.234 1.00 2.48 C ATOM 263 NE2 HIS A 17 9.492 -12.025 8.366 1.00 1.95 N ATOM 0 H HIS A 17 5.745 -7.450 7.002 1.00 0.79 H new ATOM 0 HA HIS A 17 7.320 -9.431 5.747 1.00 0.82 H new ATOM 0 HB2 HIS A 17 7.676 -8.392 7.994 1.00 0.98 H new ATOM 0 HB3 HIS A 17 6.227 -9.181 8.585 1.00 0.98 H new ATOM 0 HD2 HIS A 17 9.638 -10.299 6.992 1.00 1.44 H new ATOM 0 HE1 HIS A 17 8.536 -13.220 9.875 1.00 2.48 H new ATOM 0 HE2 HIS A 17 10.355 -12.540 8.194 1.00 1.95 H new ATOM 272 N LYS A 18 4.282 -10.462 6.413 1.00 0.74 N ATOM 273 CA LYS A 18 3.333 -11.560 6.158 1.00 0.82 C ATOM 274 C LYS A 18 3.125 -11.888 4.661 1.00 0.68 C ATOM 275 O LYS A 18 2.436 -12.861 4.345 1.00 0.84 O ATOM 276 CB LYS A 18 2.003 -11.250 6.870 1.00 1.08 C ATOM 277 CG LYS A 18 2.177 -11.168 8.397 1.00 1.90 C ATOM 278 CD LYS A 18 0.881 -10.830 9.145 1.00 2.93 C ATOM 279 CE LYS A 18 -0.147 -11.965 9.026 1.00 2.66 C ATOM 280 NZ LYS A 18 -1.350 -11.719 9.862 1.00 3.41 N ATOM 0 H LYS A 18 3.838 -9.611 6.759 1.00 0.74 H new ATOM 0 HA LYS A 18 3.771 -12.469 6.570 1.00 0.82 H new ATOM 0 HB2 LYS A 18 1.603 -10.306 6.499 1.00 1.08 H new ATOM 0 HB3 LYS A 18 1.273 -12.022 6.628 1.00 1.08 H new ATOM 0 HG2 LYS A 18 2.560 -12.121 8.762 1.00 1.90 H new ATOM 0 HG3 LYS A 18 2.928 -10.413 8.629 1.00 1.90 H new ATOM 0 HD2 LYS A 18 1.103 -10.647 10.196 1.00 2.93 H new ATOM 0 HD3 LYS A 18 0.457 -9.909 8.744 1.00 2.93 H new ATOM 0 HE2 LYS A 18 -0.447 -12.074 7.984 1.00 2.66 H new ATOM 0 HE3 LYS A 18 0.316 -12.906 9.325 1.00 2.66 H new ATOM 0 HZ1 LYS A 18 -2.017 -12.509 9.751 1.00 3.41 H new ATOM 0 HZ2 LYS A 18 -1.069 -11.640 10.860 1.00 3.41 H new ATOM 0 HZ3 LYS A 18 -1.807 -10.835 9.560 1.00 3.41 H new ATOM 294 N TYR A 19 3.698 -11.088 3.755 1.00 0.57 N ATOM 295 CA TYR A 19 3.659 -11.274 2.297 1.00 0.60 C ATOM 296 C TYR A 19 5.049 -11.318 1.644 1.00 0.72 C ATOM 297 O TYR A 19 5.287 -12.155 0.782 1.00 1.16 O ATOM 298 CB TYR A 19 2.808 -10.157 1.697 1.00 0.60 C ATOM 299 CG TYR A 19 1.350 -10.274 2.084 1.00 0.54 C ATOM 300 CD1 TYR A 19 0.494 -11.125 1.358 1.00 1.69 C ATOM 301 CD2 TYR A 19 0.853 -9.550 3.184 1.00 1.82 C ATOM 302 CE1 TYR A 19 -0.862 -11.235 1.720 1.00 1.81 C ATOM 303 CE2 TYR A 19 -0.509 -9.622 3.527 1.00 1.75 C ATOM 304 CZ TYR A 19 -1.362 -10.488 2.807 1.00 0.67 C ATOM 305 OH TYR A 19 -2.668 -10.611 3.153 1.00 0.83 O ATOM 0 H TYR A 19 4.224 -10.258 4.027 1.00 0.57 H new ATOM 0 HA TYR A 19 3.219 -12.250 2.093 1.00 0.60 H new ATOM 0 HB2 TYR A 19 3.193 -9.192 2.028 1.00 0.60 H new ATOM 0 HB3 TYR A 19 2.896 -10.180 0.611 1.00 0.60 H new ATOM 0 HD1 TYR A 19 0.878 -11.693 0.524 1.00 1.69 H new ATOM 0 HD2 TYR A 19 1.522 -8.935 3.768 1.00 1.82 H new ATOM 0 HE1 TYR A 19 -1.518 -11.890 1.166 1.00 1.81 H new ATOM 0 HE2 TYR A 19 -0.900 -9.020 4.334 1.00 1.75 H new ATOM 0 HH TYR A 19 -2.859 -10.033 3.921 1.00 0.83 H new ATOM 315 N SER A 20 5.989 -10.479 2.078 1.00 0.80 N ATOM 316 CA SER A 20 7.385 -10.517 1.615 1.00 0.93 C ATOM 317 C SER A 20 8.242 -11.573 2.327 1.00 1.17 C ATOM 318 O SER A 20 9.039 -12.252 1.686 1.00 1.66 O ATOM 319 CB SER A 20 8.003 -9.137 1.824 1.00 1.07 C ATOM 320 OG SER A 20 9.373 -9.161 1.493 1.00 2.11 O ATOM 0 H SER A 20 5.807 -9.747 2.765 1.00 0.80 H new ATOM 0 HA SER A 20 7.369 -10.796 0.561 1.00 0.93 H new ATOM 0 HB2 SER A 20 7.486 -8.402 1.208 1.00 1.07 H new ATOM 0 HB3 SER A 20 7.878 -8.828 2.862 1.00 1.07 H new ATOM 0 HG SER A 20 9.501 -9.672 0.667 1.00 2.11 H new ATOM 326 N GLY A 21 8.055 -11.773 3.637 1.00 1.24 N ATOM 327 CA GLY A 21 8.832 -12.734 4.428 1.00 1.53 C ATOM 328 C GLY A 21 8.477 -14.191 4.129 1.00 1.64 C ATOM 329 O GLY A 21 9.062 -15.089 4.734 1.00 2.21 O ATOM 0 H GLY A 21 7.355 -11.269 4.182 1.00 1.24 H new ATOM 0 HA2 GLY A 21 9.893 -12.579 4.235 1.00 1.53 H new ATOM 0 HA3 GLY A 21 8.669 -12.538 5.488 1.00 1.53 H new ATOM 332 N ARG A 22 7.540 -14.431 3.195 1.00 1.50 N ATOM 333 CA ARG A 22 7.004 -15.735 2.822 1.00 1.66 C ATOM 334 C ARG A 22 8.091 -16.591 2.183 1.00 2.00 C ATOM 335 O ARG A 22 8.289 -17.711 2.642 1.00 2.66 O ATOM 336 CB ARG A 22 5.831 -15.572 1.834 1.00 1.73 C ATOM 337 CG ARG A 22 4.540 -15.058 2.491 1.00 1.93 C ATOM 338 CD ARG A 22 3.428 -14.923 1.440 1.00 1.80 C ATOM 339 NE ARG A 22 2.134 -14.567 2.057 1.00 2.59 N ATOM 340 CZ ARG A 22 0.941 -14.678 1.486 1.00 3.21 C ATOM 341 NH1 ARG A 22 0.796 -15.014 0.225 1.00 3.17 N ATOM 342 NH2 ARG A 22 -0.141 -14.422 2.196 1.00 4.53 N ATOM 0 H ARG A 22 7.119 -13.674 2.656 1.00 1.50 H new ATOM 0 HA ARG A 22 6.644 -16.227 3.725 1.00 1.66 H new ATOM 0 HB2 ARG A 22 6.126 -14.882 1.043 1.00 1.73 H new ATOM 0 HB3 ARG A 22 5.630 -16.533 1.360 1.00 1.73 H new ATOM 0 HG2 ARG A 22 4.226 -15.744 3.278 1.00 1.93 H new ATOM 0 HG3 ARG A 22 4.723 -14.093 2.964 1.00 1.93 H new ATOM 0 HD2 ARG A 22 3.706 -14.161 0.712 1.00 1.80 H new ATOM 0 HD3 ARG A 22 3.326 -15.862 0.896 1.00 1.80 H new ATOM 0 HE ARG A 22 2.160 -14.202 3.009 1.00 2.59 H new ATOM 0 HH11 ARG A 22 1.617 -15.200 -0.351 1.00 3.17 H new ATOM 0 HH12 ARG A 22 -0.138 -15.089 -0.179 1.00 3.17 H new ATOM 0 HH21 ARG A 22 -0.055 -14.142 3.173 1.00 4.53 H new ATOM 0 HH22 ARG A 22 -1.063 -14.504 1.768 1.00 4.53 H new ATOM 356 N GLU A 23 8.755 -16.059 1.154 1.00 1.82 N ATOM 357 CA GLU A 23 9.762 -16.692 0.297 1.00 2.25 C ATOM 358 C GLU A 23 9.960 -15.895 -1.002 1.00 2.24 C ATOM 359 O GLU A 23 9.293 -14.883 -1.211 1.00 3.55 O ATOM 360 CB GLU A 23 9.460 -18.181 0.004 1.00 3.10 C ATOM 361 CG GLU A 23 10.416 -19.132 0.746 1.00 4.97 C ATOM 362 CD GLU A 23 11.871 -18.708 0.566 1.00 6.63 C ATOM 363 OE1 GLU A 23 12.261 -18.473 -0.596 1.00 6.97 O ATOM 364 OE2 GLU A 23 12.534 -18.424 1.590 1.00 8.03 O ATOM 0 H GLU A 23 8.588 -15.092 0.875 1.00 1.82 H new ATOM 0 HA GLU A 23 10.698 -16.677 0.856 1.00 2.25 H new ATOM 0 HB2 GLU A 23 8.433 -18.404 0.294 1.00 3.10 H new ATOM 0 HB3 GLU A 23 9.535 -18.360 -1.069 1.00 3.10 H new ATOM 0 HG2 GLU A 23 10.168 -19.145 1.807 1.00 4.97 H new ATOM 0 HG3 GLU A 23 10.282 -20.148 0.374 1.00 4.97 H new ATOM 371 N GLY A 24 10.919 -16.305 -1.836 1.00 2.48 N ATOM 372 CA GLY A 24 11.419 -15.552 -2.995 1.00 3.22 C ATOM 373 C GLY A 24 12.520 -14.592 -2.553 1.00 2.95 C ATOM 374 O GLY A 24 13.609 -14.573 -3.121 1.00 4.12 O ATOM 0 H GLY A 24 11.388 -17.204 -1.721 1.00 2.48 H new ATOM 0 HA2 GLY A 24 11.804 -16.240 -3.748 1.00 3.22 H new ATOM 0 HA3 GLY A 24 10.604 -14.996 -3.458 1.00 3.22 H new ATOM 377 N SER A 25 12.264 -13.866 -1.470 1.00 1.88 N ATOM 378 CA SER A 25 13.267 -13.135 -0.695 1.00 1.64 C ATOM 379 C SER A 25 12.840 -13.064 0.791 1.00 1.98 C ATOM 380 O SER A 25 12.083 -13.918 1.256 1.00 3.11 O ATOM 381 CB SER A 25 13.510 -11.756 -1.342 1.00 1.53 C ATOM 382 OG SER A 25 12.519 -10.811 -0.980 1.00 2.44 O ATOM 0 H SER A 25 11.322 -13.765 -1.093 1.00 1.88 H new ATOM 0 HA SER A 25 14.223 -13.659 -0.708 1.00 1.64 H new ATOM 0 HB2 SER A 25 14.490 -11.384 -1.043 1.00 1.53 H new ATOM 0 HB3 SER A 25 13.527 -11.864 -2.427 1.00 1.53 H new ATOM 0 HG SER A 25 12.204 -10.344 -1.782 1.00 2.44 H new ATOM 388 N LYS A 26 13.315 -12.072 1.556 1.00 1.69 N ATOM 389 CA LYS A 26 12.625 -11.563 2.755 1.00 1.73 C ATOM 390 C LYS A 26 12.484 -10.017 2.765 1.00 1.64 C ATOM 391 O LYS A 26 12.019 -9.455 3.756 1.00 1.79 O ATOM 392 CB LYS A 26 13.342 -12.129 4.006 1.00 2.01 C ATOM 393 CG LYS A 26 12.689 -13.424 4.540 1.00 2.09 C ATOM 394 CD LYS A 26 13.647 -14.615 4.726 1.00 2.96 C ATOM 395 CE LYS A 26 13.971 -15.397 3.438 1.00 4.66 C ATOM 396 NZ LYS A 26 12.776 -16.065 2.862 1.00 6.05 N ATOM 0 H LYS A 26 14.195 -11.595 1.361 1.00 1.69 H new ATOM 0 HA LYS A 26 11.593 -11.913 2.754 1.00 1.73 H new ATOM 0 HB2 LYS A 26 14.385 -12.329 3.761 1.00 2.01 H new ATOM 0 HB3 LYS A 26 13.338 -11.375 4.793 1.00 2.01 H new ATOM 0 HG2 LYS A 26 12.217 -13.205 5.498 1.00 2.09 H new ATOM 0 HG3 LYS A 26 11.895 -13.721 3.854 1.00 2.09 H new ATOM 0 HD2 LYS A 26 14.580 -14.248 5.155 1.00 2.96 H new ATOM 0 HD3 LYS A 26 13.211 -15.303 5.451 1.00 2.96 H new ATOM 0 HE2 LYS A 26 14.393 -14.715 2.700 1.00 4.66 H new ATOM 0 HE3 LYS A 26 14.733 -16.146 3.653 1.00 4.66 H new ATOM 0 HZ1 LYS A 26 13.072 -16.911 2.334 1.00 6.05 H new ATOM 0 HZ2 LYS A 26 12.131 -16.343 3.629 1.00 6.05 H new ATOM 0 HZ3 LYS A 26 12.288 -15.409 2.219 1.00 6.05 H new ATOM 410 N LEU A 27 12.832 -9.334 1.657 1.00 1.49 N ATOM 411 CA LEU A 27 12.823 -7.864 1.526 1.00 1.42 C ATOM 412 C LEU A 27 11.823 -7.302 0.491 1.00 0.96 C ATOM 413 O LEU A 27 11.522 -6.108 0.533 1.00 0.95 O ATOM 414 CB LEU A 27 14.256 -7.377 1.208 1.00 1.81 C ATOM 415 CG LEU A 27 14.812 -7.790 -0.178 1.00 3.51 C ATOM 416 CD1 LEU A 27 15.566 -6.625 -0.832 1.00 4.03 C ATOM 417 CD2 LEU A 27 15.743 -9.007 -0.082 1.00 5.08 C ATOM 0 H LEU A 27 13.136 -9.803 0.804 1.00 1.49 H new ATOM 0 HA LEU A 27 12.475 -7.478 2.484 1.00 1.42 H new ATOM 0 HB2 LEU A 27 14.274 -6.289 1.277 1.00 1.81 H new ATOM 0 HB3 LEU A 27 14.929 -7.757 1.977 1.00 1.81 H new ATOM 0 HG LEU A 27 13.954 -8.061 -0.794 1.00 3.51 H new ATOM 0 HD11 LEU A 27 15.947 -6.938 -1.804 1.00 4.03 H new ATOM 0 HD12 LEU A 27 14.889 -5.781 -0.963 1.00 4.03 H new ATOM 0 HD13 LEU A 27 16.398 -6.327 -0.195 1.00 4.03 H new ATOM 0 HD21 LEU A 27 16.111 -9.263 -1.076 1.00 5.08 H new ATOM 0 HD22 LEU A 27 16.586 -8.770 0.567 1.00 5.08 H new ATOM 0 HD23 LEU A 27 15.194 -9.853 0.331 1.00 5.08 H new ATOM 429 N THR A 28 11.358 -8.140 -0.445 1.00 0.83 N ATOM 430 CA THR A 28 10.561 -7.798 -1.639 1.00 0.65 C ATOM 431 C THR A 28 9.403 -8.775 -1.818 1.00 0.66 C ATOM 432 O THR A 28 9.252 -9.700 -1.026 1.00 0.78 O ATOM 433 CB THR A 28 11.433 -7.853 -2.900 1.00 0.71 C ATOM 434 OG1 THR A 28 11.973 -9.155 -2.983 1.00 0.90 O ATOM 435 CG2 THR A 28 12.539 -6.796 -2.972 1.00 0.80 C ATOM 0 H THR A 28 11.539 -9.142 -0.388 1.00 0.83 H new ATOM 0 HA THR A 28 10.173 -6.790 -1.494 1.00 0.65 H new ATOM 0 HB THR A 28 10.795 -7.620 -3.752 1.00 0.71 H new ATOM 0 HG1 THR A 28 12.779 -9.140 -3.541 1.00 0.90 H new ATOM 0 HG21 THR A 28 13.099 -6.918 -3.899 1.00 0.80 H new ATOM 0 HG22 THR A 28 12.094 -5.801 -2.945 1.00 0.80 H new ATOM 0 HG23 THR A 28 13.212 -6.915 -2.123 1.00 0.80 H new ATOM 443 N LEU A 29 8.597 -8.623 -2.868 1.00 0.64 N ATOM 444 CA LEU A 29 7.482 -9.519 -3.208 1.00 0.62 C ATOM 445 C LEU A 29 7.106 -9.375 -4.687 1.00 0.70 C ATOM 446 O LEU A 29 7.628 -8.496 -5.370 1.00 0.87 O ATOM 447 CB LEU A 29 6.298 -9.360 -2.217 1.00 0.60 C ATOM 448 CG LEU A 29 5.506 -8.031 -2.177 1.00 0.59 C ATOM 449 CD1 LEU A 29 4.391 -8.136 -1.122 1.00 0.68 C ATOM 450 CD2 LEU A 29 6.346 -6.811 -1.785 1.00 0.75 C ATOM 0 H LEU A 29 8.701 -7.852 -3.528 1.00 0.64 H new ATOM 0 HA LEU A 29 7.803 -10.554 -3.086 1.00 0.62 H new ATOM 0 HB2 LEU A 29 5.586 -10.157 -2.430 1.00 0.60 H new ATOM 0 HB3 LEU A 29 6.686 -9.538 -1.214 1.00 0.60 H new ATOM 0 HG LEU A 29 5.135 -7.886 -3.191 1.00 0.59 H new ATOM 0 HD11 LEU A 29 3.831 -7.202 -1.091 1.00 0.68 H new ATOM 0 HD12 LEU A 29 3.719 -8.954 -1.383 1.00 0.68 H new ATOM 0 HD13 LEU A 29 4.832 -8.327 -0.144 1.00 0.68 H new ATOM 0 HD21 LEU A 29 5.716 -5.922 -1.781 1.00 0.75 H new ATOM 0 HD22 LEU A 29 6.766 -6.963 -0.791 1.00 0.75 H new ATOM 0 HD23 LEU A 29 7.154 -6.680 -2.504 1.00 0.75 H new ATOM 462 N SER A 30 6.229 -10.226 -5.210 1.00 0.71 N ATOM 463 CA SER A 30 5.694 -10.029 -6.566 1.00 0.74 C ATOM 464 C SER A 30 4.627 -8.924 -6.564 1.00 0.69 C ATOM 465 O SER A 30 3.988 -8.655 -5.536 1.00 0.70 O ATOM 466 CB SER A 30 5.125 -11.348 -7.101 1.00 0.84 C ATOM 467 OG SER A 30 3.885 -11.645 -6.475 1.00 1.37 O ATOM 0 H SER A 30 5.873 -11.051 -4.728 1.00 0.71 H new ATOM 0 HA SER A 30 6.502 -9.713 -7.226 1.00 0.74 H new ATOM 0 HB2 SER A 30 4.987 -11.280 -8.180 1.00 0.84 H new ATOM 0 HB3 SER A 30 5.833 -12.156 -6.920 1.00 0.84 H new ATOM 0 HG SER A 30 3.534 -12.489 -6.828 1.00 1.37 H new ATOM 473 N ARG A 31 4.349 -8.282 -7.708 1.00 0.75 N ATOM 474 CA ARG A 31 3.370 -7.182 -7.712 1.00 0.73 C ATOM 475 C ARG A 31 1.946 -7.640 -7.357 1.00 0.77 C ATOM 476 O ARG A 31 1.195 -6.865 -6.765 1.00 0.88 O ATOM 477 CB ARG A 31 3.286 -6.444 -9.044 1.00 0.93 C ATOM 478 CG ARG A 31 4.563 -6.142 -9.816 1.00 1.29 C ATOM 479 CD ARG A 31 5.621 -5.249 -9.172 1.00 1.75 C ATOM 480 NE ARG A 31 5.444 -3.800 -9.404 1.00 2.02 N ATOM 481 CZ ARG A 31 5.616 -3.136 -10.543 1.00 2.30 C ATOM 482 NH1 ARG A 31 5.542 -3.697 -11.734 1.00 3.19 N ATOM 483 NH2 ARG A 31 5.899 -1.857 -10.467 1.00 3.02 N ATOM 0 H ARG A 31 4.770 -8.494 -8.613 1.00 0.75 H new ATOM 0 HA ARG A 31 3.750 -6.508 -6.944 1.00 0.73 H new ATOM 0 HB2 ARG A 31 2.638 -7.026 -9.699 1.00 0.93 H new ATOM 0 HB3 ARG A 31 2.783 -5.494 -8.860 1.00 0.93 H new ATOM 0 HG2 ARG A 31 5.037 -7.094 -10.055 1.00 1.29 H new ATOM 0 HG3 ARG A 31 4.275 -5.683 -10.762 1.00 1.29 H new ATOM 0 HD2 ARG A 31 5.623 -5.432 -8.097 1.00 1.75 H new ATOM 0 HD3 ARG A 31 6.601 -5.544 -9.547 1.00 1.75 H new ATOM 0 HE ARG A 31 5.157 -3.246 -8.597 1.00 2.02 H new ATOM 0 HH11 ARG A 31 5.343 -4.694 -11.817 1.00 3.19 H new ATOM 0 HH12 ARG A 31 5.684 -3.134 -12.573 1.00 3.19 H new ATOM 0 HH21 ARG A 31 5.980 -1.406 -9.556 1.00 3.02 H new ATOM 0 HH22 ARG A 31 6.038 -1.314 -11.319 1.00 3.02 H new ATOM 497 N LYS A 32 1.540 -8.875 -7.699 1.00 0.79 N ATOM 498 CA LYS A 32 0.201 -9.384 -7.325 1.00 0.86 C ATOM 499 C LYS A 32 0.073 -9.640 -5.809 1.00 0.81 C ATOM 500 O LYS A 32 -1.009 -9.439 -5.254 1.00 0.98 O ATOM 501 CB LYS A 32 -0.200 -10.634 -8.133 1.00 1.13 C ATOM 502 CG LYS A 32 -0.155 -10.375 -9.644 1.00 1.67 C ATOM 503 CD LYS A 32 -0.990 -11.357 -10.482 1.00 2.25 C ATOM 504 CE LYS A 32 -0.638 -11.131 -11.960 1.00 3.51 C ATOM 505 NZ LYS A 32 -1.680 -11.570 -12.915 1.00 4.60 N ATOM 0 H LYS A 32 2.109 -9.536 -8.228 1.00 0.79 H new ATOM 0 HA LYS A 32 -0.502 -8.592 -7.583 1.00 0.86 H new ATOM 0 HB2 LYS A 32 0.470 -11.457 -7.885 1.00 1.13 H new ATOM 0 HB3 LYS A 32 -1.205 -10.944 -7.847 1.00 1.13 H new ATOM 0 HG2 LYS A 32 -0.506 -9.361 -9.837 1.00 1.67 H new ATOM 0 HG3 LYS A 32 0.882 -10.422 -9.978 1.00 1.67 H new ATOM 0 HD2 LYS A 32 -0.775 -12.385 -10.191 1.00 2.25 H new ATOM 0 HD3 LYS A 32 -2.054 -11.194 -10.314 1.00 2.25 H new ATOM 0 HE2 LYS A 32 -0.445 -10.070 -12.116 1.00 3.51 H new ATOM 0 HE3 LYS A 32 0.288 -11.660 -12.184 1.00 3.51 H new ATOM 0 HZ1 LYS A 32 -1.239 -11.801 -13.828 1.00 4.60 H new ATOM 0 HZ2 LYS A 32 -2.162 -12.412 -12.540 1.00 4.60 H new ATOM 0 HZ3 LYS A 32 -2.373 -10.806 -13.049 1.00 4.60 H new ATOM 519 N GLU A 33 1.194 -9.984 -5.168 1.00 0.68 N ATOM 520 CA GLU A 33 1.283 -10.139 -3.724 1.00 0.76 C ATOM 521 C GLU A 33 1.040 -8.801 -3.009 1.00 0.72 C ATOM 522 O GLU A 33 0.187 -8.745 -2.125 1.00 0.79 O ATOM 523 CB GLU A 33 2.654 -10.733 -3.372 1.00 0.86 C ATOM 524 CG GLU A 33 2.644 -11.482 -2.043 1.00 1.44 C ATOM 525 CD GLU A 33 2.132 -12.912 -2.184 1.00 1.82 C ATOM 526 OE1 GLU A 33 1.364 -13.208 -3.120 1.00 2.14 O ATOM 527 OE2 GLU A 33 2.513 -13.729 -1.321 1.00 2.92 O ATOM 0 H GLU A 33 2.075 -10.164 -5.650 1.00 0.68 H new ATOM 0 HA GLU A 33 0.505 -10.821 -3.380 1.00 0.76 H new ATOM 0 HB2 GLU A 33 2.966 -11.412 -4.165 1.00 0.86 H new ATOM 0 HB3 GLU A 33 3.393 -9.933 -3.328 1.00 0.86 H new ATOM 0 HG2 GLU A 33 3.653 -11.499 -1.632 1.00 1.44 H new ATOM 0 HG3 GLU A 33 2.019 -10.944 -1.331 1.00 1.44 H new ATOM 534 N LEU A 34 1.692 -7.700 -3.435 1.00 0.66 N ATOM 535 CA LEU A 34 1.380 -6.349 -2.920 1.00 0.65 C ATOM 536 C LEU A 34 -0.088 -5.968 -3.147 1.00 0.66 C ATOM 537 O LEU A 34 -0.765 -5.488 -2.237 1.00 0.68 O ATOM 538 CB LEU A 34 2.320 -5.305 -3.555 1.00 0.69 C ATOM 539 CG LEU A 34 1.947 -3.828 -3.282 1.00 0.80 C ATOM 540 CD1 LEU A 34 1.936 -3.515 -1.786 1.00 1.12 C ATOM 541 CD2 LEU A 34 2.914 -2.855 -3.971 1.00 0.97 C ATOM 0 H LEU A 34 2.436 -7.719 -4.132 1.00 0.66 H new ATOM 0 HA LEU A 34 1.542 -6.364 -1.842 1.00 0.65 H new ATOM 0 HB2 LEU A 34 3.332 -5.481 -3.189 1.00 0.69 H new ATOM 0 HB3 LEU A 34 2.339 -5.465 -4.633 1.00 0.69 H new ATOM 0 HG LEU A 34 0.946 -3.694 -3.692 1.00 0.80 H new ATOM 0 HD11 LEU A 34 1.670 -2.469 -1.635 1.00 1.12 H new ATOM 0 HD12 LEU A 34 1.205 -4.151 -1.287 1.00 1.12 H new ATOM 0 HD13 LEU A 34 2.925 -3.702 -1.368 1.00 1.12 H new ATOM 0 HD21 LEU A 34 2.615 -1.830 -3.753 1.00 0.97 H new ATOM 0 HD22 LEU A 34 3.925 -3.025 -3.602 1.00 0.97 H new ATOM 0 HD23 LEU A 34 2.889 -3.019 -5.048 1.00 0.97 H new ATOM 553 N LYS A 35 -0.588 -6.170 -4.369 1.00 0.71 N ATOM 554 CA LYS A 35 -1.956 -5.806 -4.746 1.00 0.75 C ATOM 555 C LYS A 35 -3.013 -6.483 -3.850 1.00 0.71 C ATOM 556 O LYS A 35 -3.994 -5.853 -3.464 1.00 0.80 O ATOM 557 CB LYS A 35 -2.132 -6.220 -6.207 1.00 0.90 C ATOM 558 CG LYS A 35 -3.446 -5.722 -6.818 1.00 1.24 C ATOM 559 CD LYS A 35 -3.805 -6.584 -8.025 1.00 1.36 C ATOM 560 CE LYS A 35 -4.386 -7.937 -7.588 1.00 2.12 C ATOM 561 NZ LYS A 35 -4.888 -8.700 -8.753 1.00 2.86 N ATOM 0 H LYS A 35 -0.053 -6.592 -5.128 1.00 0.71 H new ATOM 0 HA LYS A 35 -2.105 -4.734 -4.615 1.00 0.75 H new ATOM 0 HB2 LYS A 35 -1.297 -5.833 -6.791 1.00 0.90 H new ATOM 0 HB3 LYS A 35 -2.094 -7.307 -6.278 1.00 0.90 H new ATOM 0 HG2 LYS A 35 -4.244 -5.766 -6.076 1.00 1.24 H new ATOM 0 HG3 LYS A 35 -3.347 -4.679 -7.119 1.00 1.24 H new ATOM 0 HD2 LYS A 35 -4.529 -6.059 -8.648 1.00 1.36 H new ATOM 0 HD3 LYS A 35 -2.917 -6.747 -8.636 1.00 1.36 H new ATOM 0 HE2 LYS A 35 -3.620 -8.516 -7.072 1.00 2.12 H new ATOM 0 HE3 LYS A 35 -5.197 -7.776 -6.877 1.00 2.12 H new ATOM 0 HZ1 LYS A 35 -4.645 -9.705 -8.640 1.00 2.86 H new ATOM 0 HZ2 LYS A 35 -5.921 -8.598 -8.816 1.00 2.86 H new ATOM 0 HZ3 LYS A 35 -4.451 -8.334 -9.623 1.00 2.86 H new ATOM 575 N GLU A 36 -2.811 -7.764 -3.539 1.00 0.65 N ATOM 576 CA GLU A 36 -3.655 -8.542 -2.626 1.00 0.67 C ATOM 577 C GLU A 36 -3.440 -8.162 -1.147 1.00 0.68 C ATOM 578 O GLU A 36 -4.415 -8.102 -0.399 1.00 0.86 O ATOM 579 CB GLU A 36 -3.376 -10.030 -2.881 1.00 0.80 C ATOM 580 CG GLU A 36 -4.241 -11.010 -2.079 1.00 0.97 C ATOM 581 CD GLU A 36 -5.728 -11.014 -2.449 1.00 1.59 C ATOM 582 OE1 GLU A 36 -6.430 -9.994 -2.258 1.00 2.86 O ATOM 583 OE2 GLU A 36 -6.274 -12.098 -2.742 1.00 2.11 O ATOM 0 H GLU A 36 -2.037 -8.305 -3.924 1.00 0.65 H new ATOM 0 HA GLU A 36 -4.703 -8.317 -2.825 1.00 0.67 H new ATOM 0 HB2 GLU A 36 -3.518 -10.232 -3.943 1.00 0.80 H new ATOM 0 HB3 GLU A 36 -2.328 -10.229 -2.656 1.00 0.80 H new ATOM 0 HG2 GLU A 36 -3.845 -12.016 -2.216 1.00 0.97 H new ATOM 0 HG3 GLU A 36 -4.146 -10.772 -1.020 1.00 0.97 H new ATOM 590 N LEU A 37 -2.203 -7.849 -0.729 1.00 0.63 N ATOM 591 CA LEU A 37 -1.853 -7.454 0.644 1.00 0.76 C ATOM 592 C LEU A 37 -2.752 -6.315 1.139 1.00 0.88 C ATOM 593 O LEU A 37 -3.418 -6.461 2.167 1.00 1.06 O ATOM 594 CB LEU A 37 -0.335 -7.126 0.699 1.00 0.76 C ATOM 595 CG LEU A 37 0.168 -5.989 1.623 1.00 0.74 C ATOM 596 CD1 LEU A 37 -0.111 -6.185 3.115 1.00 0.97 C ATOM 597 CD2 LEU A 37 1.687 -5.836 1.446 1.00 1.39 C ATOM 0 H LEU A 37 -1.397 -7.864 -1.354 1.00 0.63 H new ATOM 0 HA LEU A 37 -2.036 -8.277 1.335 1.00 0.76 H new ATOM 0 HB2 LEU A 37 0.186 -8.038 0.991 1.00 0.76 H new ATOM 0 HB3 LEU A 37 -0.016 -6.887 -0.316 1.00 0.76 H new ATOM 0 HG LEU A 37 -0.391 -5.104 1.318 1.00 0.74 H new ATOM 0 HD11 LEU A 37 0.281 -5.335 3.673 1.00 0.97 H new ATOM 0 HD12 LEU A 37 -1.186 -6.261 3.277 1.00 0.97 H new ATOM 0 HD13 LEU A 37 0.374 -7.099 3.459 1.00 0.97 H new ATOM 0 HD21 LEU A 37 2.050 -5.037 2.093 1.00 1.39 H new ATOM 0 HD22 LEU A 37 2.180 -6.771 1.712 1.00 1.39 H new ATOM 0 HD23 LEU A 37 1.909 -5.591 0.407 1.00 1.39 H new ATOM 609 N ILE A 38 -2.811 -5.222 0.373 1.00 0.88 N ATOM 610 CA ILE A 38 -3.609 -4.017 0.683 1.00 1.08 C ATOM 611 C ILE A 38 -5.110 -4.346 0.767 1.00 1.19 C ATOM 612 O ILE A 38 -5.835 -3.774 1.574 1.00 1.53 O ATOM 613 CB ILE A 38 -3.290 -2.903 -0.348 1.00 1.10 C ATOM 614 CG1 ILE A 38 -1.784 -2.536 -0.268 1.00 1.06 C ATOM 615 CG2 ILE A 38 -4.164 -1.652 -0.108 1.00 1.40 C ATOM 616 CD1 ILE A 38 -1.321 -1.507 -1.302 1.00 1.19 C ATOM 0 H ILE A 38 -2.295 -5.142 -0.503 1.00 0.88 H new ATOM 0 HA ILE A 38 -3.333 -3.643 1.669 1.00 1.08 H new ATOM 0 HB ILE A 38 -3.518 -3.278 -1.346 1.00 1.10 H new ATOM 0 HG12 ILE A 38 -1.570 -2.151 0.729 1.00 1.06 H new ATOM 0 HG13 ILE A 38 -1.195 -3.445 -0.391 1.00 1.06 H new ATOM 0 HG21 ILE A 38 -3.917 -0.889 -0.846 1.00 1.40 H new ATOM 0 HG22 ILE A 38 -5.216 -1.920 -0.201 1.00 1.40 H new ATOM 0 HG23 ILE A 38 -3.976 -1.263 0.893 1.00 1.40 H new ATOM 0 HD11 ILE A 38 -0.257 -1.313 -1.170 1.00 1.19 H new ATOM 0 HD12 ILE A 38 -1.498 -1.895 -2.305 1.00 1.19 H new ATOM 0 HD13 ILE A 38 -1.878 -0.580 -1.168 1.00 1.19 H new ATOM 628 N LYS A 39 -5.594 -5.311 -0.023 1.00 1.01 N ATOM 629 CA LYS A 39 -6.980 -5.758 0.012 1.00 1.06 C ATOM 630 C LYS A 39 -7.317 -6.764 1.129 1.00 1.10 C ATOM 631 O LYS A 39 -8.504 -7.064 1.307 1.00 1.22 O ATOM 632 CB LYS A 39 -7.331 -6.318 -1.376 1.00 1.12 C ATOM 633 CG LYS A 39 -7.746 -5.249 -2.395 1.00 1.26 C ATOM 634 CD LYS A 39 -8.946 -4.366 -2.004 1.00 1.66 C ATOM 635 CE LYS A 39 -10.194 -5.129 -1.517 1.00 2.67 C ATOM 636 NZ LYS A 39 -10.236 -5.277 -0.038 1.00 4.12 N ATOM 0 H LYS A 39 -5.024 -5.805 -0.710 1.00 1.01 H new ATOM 0 HA LYS A 39 -7.595 -4.892 0.258 1.00 1.06 H new ATOM 0 HB2 LYS A 39 -6.470 -6.861 -1.765 1.00 1.12 H new ATOM 0 HB3 LYS A 39 -8.142 -7.039 -1.271 1.00 1.12 H new ATOM 0 HG2 LYS A 39 -6.889 -4.601 -2.579 1.00 1.26 H new ATOM 0 HG3 LYS A 39 -7.979 -5.746 -3.337 1.00 1.26 H new ATOM 0 HD2 LYS A 39 -8.630 -3.680 -1.218 1.00 1.66 H new ATOM 0 HD3 LYS A 39 -9.225 -3.758 -2.865 1.00 1.66 H new ATOM 0 HE2 LYS A 39 -11.089 -4.604 -1.851 1.00 2.67 H new ATOM 0 HE3 LYS A 39 -10.213 -6.117 -1.977 1.00 2.67 H new ATOM 0 HZ1 LYS A 39 -11.167 -5.642 0.248 1.00 4.12 H new ATOM 0 HZ2 LYS A 39 -9.495 -5.941 0.266 1.00 4.12 H new ATOM 0 HZ3 LYS A 39 -10.075 -4.351 0.408 1.00 4.12 H new ATOM 650 N LYS A 40 -6.333 -7.305 1.852 1.00 1.06 N ATOM 651 CA LYS A 40 -6.521 -8.172 3.017 1.00 1.13 C ATOM 652 C LYS A 40 -6.314 -7.454 4.353 1.00 1.22 C ATOM 653 O LYS A 40 -6.936 -7.838 5.341 1.00 1.58 O ATOM 654 CB LYS A 40 -5.535 -9.340 2.890 1.00 1.11 C ATOM 655 CG LYS A 40 -6.166 -10.595 2.311 1.00 1.53 C ATOM 656 CD LYS A 40 -6.850 -10.396 0.961 1.00 1.11 C ATOM 657 CE LYS A 40 -7.261 -11.767 0.425 1.00 1.64 C ATOM 658 NZ LYS A 40 -8.091 -11.648 -0.796 1.00 2.21 N ATOM 0 H LYS A 40 -5.349 -7.146 1.634 1.00 1.06 H new ATOM 0 HA LYS A 40 -7.556 -8.514 3.023 1.00 1.13 H new ATOM 0 HB2 LYS A 40 -4.701 -9.036 2.258 1.00 1.11 H new ATOM 0 HB3 LYS A 40 -5.123 -9.568 3.873 1.00 1.11 H new ATOM 0 HG2 LYS A 40 -5.395 -11.358 2.204 1.00 1.53 H new ATOM 0 HG3 LYS A 40 -6.898 -10.979 3.022 1.00 1.53 H new ATOM 0 HD2 LYS A 40 -7.723 -9.753 1.069 1.00 1.11 H new ATOM 0 HD3 LYS A 40 -6.175 -9.902 0.262 1.00 1.11 H new ATOM 0 HE2 LYS A 40 -6.370 -12.354 0.204 1.00 1.64 H new ATOM 0 HE3 LYS A 40 -7.816 -12.307 1.192 1.00 1.64 H new ATOM 0 HZ1 LYS A 40 -9.052 -11.993 -0.598 1.00 2.21 H new ATOM 0 HZ2 LYS A 40 -8.135 -10.651 -1.090 1.00 2.21 H new ATOM 0 HZ3 LYS A 40 -7.670 -12.216 -1.559 1.00 2.21 H new ATOM 672 N GLU A 41 -5.443 -6.447 4.394 1.00 1.01 N ATOM 673 CA GLU A 41 -5.288 -5.578 5.570 1.00 1.06 C ATOM 674 C GLU A 41 -6.356 -4.465 5.625 1.00 1.29 C ATOM 675 O GLU A 41 -6.838 -4.125 6.708 1.00 1.71 O ATOM 676 CB GLU A 41 -3.840 -5.070 5.645 1.00 1.24 C ATOM 677 CG GLU A 41 -3.426 -4.110 4.516 1.00 2.59 C ATOM 678 CD GLU A 41 -3.676 -2.625 4.816 1.00 4.49 C ATOM 679 OE1 GLU A 41 -4.236 -2.318 5.893 1.00 5.21 O ATOM 680 OE2 GLU A 41 -3.253 -1.796 3.978 1.00 5.83 O ATOM 0 H GLU A 41 -4.825 -6.207 3.619 1.00 1.01 H new ATOM 0 HA GLU A 41 -5.471 -6.160 6.473 1.00 1.06 H new ATOM 0 HB2 GLU A 41 -3.697 -4.565 6.601 1.00 1.24 H new ATOM 0 HB3 GLU A 41 -3.169 -5.929 5.635 1.00 1.24 H new ATOM 0 HG2 GLU A 41 -2.366 -4.251 4.307 1.00 2.59 H new ATOM 0 HG3 GLU A 41 -3.968 -4.380 3.610 1.00 2.59 H new ATOM 687 N LEU A 42 -6.803 -3.969 4.462 1.00 1.31 N ATOM 688 CA LEU A 42 -7.832 -2.948 4.341 1.00 1.51 C ATOM 689 C LEU A 42 -8.920 -3.340 3.342 1.00 1.40 C ATOM 690 O LEU A 42 -8.776 -4.190 2.455 1.00 1.69 O ATOM 691 CB LEU A 42 -7.173 -1.597 3.975 1.00 1.68 C ATOM 692 CG LEU A 42 -7.134 -0.611 5.158 1.00 2.10 C ATOM 693 CD1 LEU A 42 -6.164 0.547 4.884 1.00 2.05 C ATOM 694 CD2 LEU A 42 -8.531 -0.029 5.432 1.00 2.87 C ATOM 0 H LEU A 42 -6.443 -4.281 3.560 1.00 1.31 H new ATOM 0 HA LEU A 42 -8.334 -2.847 5.303 1.00 1.51 H new ATOM 0 HB2 LEU A 42 -6.157 -1.777 3.625 1.00 1.68 H new ATOM 0 HB3 LEU A 42 -7.720 -1.144 3.148 1.00 1.68 H new ATOM 0 HG LEU A 42 -6.792 -1.170 6.029 1.00 2.10 H new ATOM 0 HD11 LEU A 42 -6.158 1.226 5.737 1.00 2.05 H new ATOM 0 HD12 LEU A 42 -5.160 0.152 4.728 1.00 2.05 H new ATOM 0 HD13 LEU A 42 -6.484 1.087 3.993 1.00 2.05 H new ATOM 0 HD21 LEU A 42 -8.478 0.664 6.271 1.00 2.87 H new ATOM 0 HD22 LEU A 42 -8.885 0.499 4.547 1.00 2.87 H new ATOM 0 HD23 LEU A 42 -9.221 -0.838 5.672 1.00 2.87 H new ATOM 706 N CYS A 43 -10.051 -2.660 3.496 1.00 1.47 N ATOM 707 CA CYS A 43 -11.180 -2.763 2.583 1.00 1.60 C ATOM 708 C CYS A 43 -10.914 -1.973 1.306 1.00 2.12 C ATOM 709 O CYS A 43 -10.635 -2.569 0.261 1.00 3.68 O ATOM 710 CB CYS A 43 -12.474 -2.474 3.350 1.00 2.14 C ATOM 711 SG CYS A 43 -13.844 -3.135 2.365 1.00 2.84 S ATOM 0 H CYS A 43 -10.210 -2.014 4.269 1.00 1.47 H new ATOM 0 HA CYS A 43 -11.317 -3.776 2.204 1.00 1.60 H new ATOM 0 HB2 CYS A 43 -12.449 -2.940 4.335 1.00 2.14 H new ATOM 0 HB3 CYS A 43 -12.596 -1.402 3.508 1.00 2.14 H new ATOM 0 HG CYS A 43 -14.323 -2.197 1.604 1.00 2.84 H new ATOM 717 N LEU A 44 -10.911 -0.652 1.407 1.00 1.87 N ATOM 718 CA LEU A 44 -10.466 0.295 0.395 1.00 2.71 C ATOM 719 C LEU A 44 -11.188 0.236 -0.952 1.00 3.34 C ATOM 720 O LEU A 44 -10.705 0.772 -1.947 1.00 4.50 O ATOM 721 CB LEU A 44 -8.941 0.275 0.279 1.00 3.21 C ATOM 722 CG LEU A 44 -8.279 1.167 1.334 1.00 2.83 C ATOM 723 CD1 LEU A 44 -6.795 0.914 1.149 1.00 3.65 C ATOM 724 CD2 LEU A 44 -8.540 2.678 1.192 1.00 3.03 C ATOM 0 H LEU A 44 -11.240 -0.183 2.251 1.00 1.87 H new ATOM 0 HA LEU A 44 -10.772 1.275 0.760 1.00 2.71 H new ATOM 0 HB2 LEU A 44 -8.581 -0.748 0.390 1.00 3.21 H new ATOM 0 HB3 LEU A 44 -8.648 0.610 -0.716 1.00 3.21 H new ATOM 0 HG LEU A 44 -8.687 0.915 2.313 1.00 2.83 H new ATOM 0 HD11 LEU A 44 -6.232 1.513 1.865 1.00 3.65 H new ATOM 0 HD12 LEU A 44 -6.583 -0.143 1.313 1.00 3.65 H new ATOM 0 HD13 LEU A 44 -6.502 1.190 0.136 1.00 3.65 H new ATOM 0 HD21 LEU A 44 -8.025 3.213 1.990 1.00 3.03 H new ATOM 0 HD22 LEU A 44 -8.170 3.022 0.226 1.00 3.03 H new ATOM 0 HD23 LEU A 44 -9.611 2.870 1.259 1.00 3.03 H new ATOM 736 N GLY A 45 -12.346 -0.390 -0.949 1.00 2.90 N ATOM 737 CA GLY A 45 -13.334 -0.402 -2.045 1.00 3.32 C ATOM 738 C GLY A 45 -14.446 0.642 -1.885 1.00 2.96 C ATOM 739 O GLY A 45 -15.122 0.971 -2.850 1.00 3.81 O ATOM 0 H GLY A 45 -12.654 -0.938 -0.146 1.00 2.90 H new ATOM 0 HA2 GLY A 45 -12.818 -0.228 -2.989 1.00 3.32 H new ATOM 0 HA3 GLY A 45 -13.784 -1.393 -2.105 1.00 3.32 H new ATOM 742 N GLU A 46 -14.612 1.157 -0.673 1.00 2.52 N ATOM 743 CA GLU A 46 -15.730 1.965 -0.170 1.00 3.00 C ATOM 744 C GLU A 46 -15.519 3.495 -0.235 1.00 2.91 C ATOM 745 O GLU A 46 -16.224 4.239 0.442 1.00 3.82 O ATOM 746 CB GLU A 46 -16.082 1.473 1.253 1.00 3.95 C ATOM 747 CG GLU A 46 -15.001 1.685 2.332 1.00 4.36 C ATOM 748 CD GLU A 46 -13.709 0.893 2.108 1.00 4.60 C ATOM 749 OE1 GLU A 46 -13.764 -0.221 1.535 1.00 4.65 O ATOM 750 OE2 GLU A 46 -12.611 1.413 2.385 1.00 5.39 O ATOM 0 H GLU A 46 -13.909 1.010 0.051 1.00 2.52 H new ATOM 0 HA GLU A 46 -16.573 1.812 -0.844 1.00 3.00 H new ATOM 0 HB2 GLU A 46 -16.992 1.979 1.575 1.00 3.95 H new ATOM 0 HB3 GLU A 46 -16.310 0.408 1.201 1.00 3.95 H new ATOM 0 HG2 GLU A 46 -14.757 2.746 2.379 1.00 4.36 H new ATOM 0 HG3 GLU A 46 -15.416 1.410 3.302 1.00 4.36 H new ATOM 757 N MET A 47 -14.539 3.976 -1.015 1.00 2.42 N ATOM 758 CA MET A 47 -14.117 5.386 -1.096 1.00 2.62 C ATOM 759 C MET A 47 -13.500 5.707 -2.484 1.00 2.43 C ATOM 760 O MET A 47 -13.550 4.889 -3.397 1.00 2.93 O ATOM 761 CB MET A 47 -13.126 5.709 0.045 1.00 2.93 C ATOM 762 CG MET A 47 -13.714 5.725 1.455 1.00 2.91 C ATOM 763 SD MET A 47 -12.468 6.099 2.715 1.00 2.95 S ATOM 764 CE MET A 47 -11.566 4.532 2.634 1.00 2.06 C ATOM 0 H MET A 47 -13.996 3.371 -1.631 1.00 2.42 H new ATOM 0 HA MET A 47 -14.997 6.018 -0.978 1.00 2.62 H new ATOM 0 HB2 MET A 47 -12.319 4.977 0.017 1.00 2.93 H new ATOM 0 HB3 MET A 47 -12.680 6.684 -0.153 1.00 2.93 H new ATOM 0 HG2 MET A 47 -14.512 6.466 1.505 1.00 2.91 H new ATOM 0 HG3 MET A 47 -14.165 4.756 1.669 1.00 2.91 H new ATOM 0 HE1 MET A 47 -11.503 4.096 3.631 1.00 2.06 H new ATOM 0 HE2 MET A 47 -12.090 3.845 1.970 1.00 2.06 H new ATOM 0 HE3 MET A 47 -10.561 4.710 2.252 1.00 2.06 H new ATOM 774 N LYS A 48 -12.758 6.821 -2.559 1.00 2.89 N ATOM 775 CA LYS A 48 -11.732 7.210 -3.526 1.00 2.90 C ATOM 776 C LYS A 48 -12.207 7.574 -4.953 1.00 3.66 C ATOM 777 O LYS A 48 -13.339 7.290 -5.338 1.00 4.27 O ATOM 778 CB LYS A 48 -10.493 6.300 -3.497 1.00 2.48 C ATOM 779 CG LYS A 48 -10.062 5.706 -2.149 1.00 3.20 C ATOM 780 CD LYS A 48 -10.539 4.273 -1.984 1.00 4.41 C ATOM 781 CE LYS A 48 -9.813 3.341 -2.951 1.00 5.63 C ATOM 782 NZ LYS A 48 -8.674 2.696 -2.279 1.00 7.44 N ATOM 0 H LYS A 48 -12.880 7.553 -1.860 1.00 2.89 H new ATOM 0 HA LYS A 48 -11.416 8.182 -3.148 1.00 2.90 H new ATOM 0 HB2 LYS A 48 -10.671 5.473 -4.184 1.00 2.48 H new ATOM 0 HB3 LYS A 48 -9.652 6.869 -3.894 1.00 2.48 H new ATOM 0 HG2 LYS A 48 -8.975 5.739 -2.068 1.00 3.20 H new ATOM 0 HG3 LYS A 48 -10.460 6.317 -1.339 1.00 3.20 H new ATOM 0 HD2 LYS A 48 -10.368 3.945 -0.959 1.00 4.41 H new ATOM 0 HD3 LYS A 48 -11.613 4.221 -2.160 1.00 4.41 H new ATOM 0 HE2 LYS A 48 -10.502 2.583 -3.322 1.00 5.63 H new ATOM 0 HE3 LYS A 48 -9.463 3.904 -3.816 1.00 5.63 H new ATOM 0 HZ1 LYS A 48 -8.433 1.814 -2.774 1.00 7.44 H new ATOM 0 HZ2 LYS A 48 -7.854 3.336 -2.294 1.00 7.44 H new ATOM 0 HZ3 LYS A 48 -8.928 2.482 -1.294 1.00 7.44 H new ATOM 796 N GLU A 49 -11.341 8.254 -5.711 1.00 4.44 N ATOM 797 CA GLU A 49 -11.504 8.466 -7.154 1.00 5.16 C ATOM 798 C GLU A 49 -11.114 7.196 -7.952 1.00 3.73 C ATOM 799 O GLU A 49 -11.230 6.093 -7.428 1.00 3.19 O ATOM 800 CB GLU A 49 -10.873 9.804 -7.585 1.00 6.99 C ATOM 801 CG GLU A 49 -9.362 9.941 -7.375 1.00 8.26 C ATOM 802 CD GLU A 49 -8.578 9.092 -8.358 1.00 8.23 C ATOM 803 OE1 GLU A 49 -8.784 9.273 -9.575 1.00 8.44 O ATOM 804 OE2 GLU A 49 -7.902 8.131 -7.937 1.00 8.39 O ATOM 0 H GLU A 49 -10.494 8.679 -5.334 1.00 4.44 H new ATOM 0 HA GLU A 49 -12.555 8.596 -7.411 1.00 5.16 H new ATOM 0 HB2 GLU A 49 -11.087 9.958 -8.643 1.00 6.99 H new ATOM 0 HB3 GLU A 49 -11.368 10.607 -7.040 1.00 6.99 H new ATOM 0 HG2 GLU A 49 -9.073 10.986 -7.486 1.00 8.26 H new ATOM 0 HG3 GLU A 49 -9.108 9.646 -6.357 1.00 8.26 H new ATOM 811 N SER A 50 -10.735 7.298 -9.228 1.00 3.60 N ATOM 812 CA SER A 50 -10.634 6.148 -10.140 1.00 2.42 C ATOM 813 C SER A 50 -9.229 5.856 -10.696 1.00 2.42 C ATOM 814 O SER A 50 -9.042 4.794 -11.277 1.00 3.33 O ATOM 815 CB SER A 50 -11.631 6.344 -11.294 1.00 2.41 C ATOM 816 OG SER A 50 -12.935 6.629 -10.803 1.00 2.88 O ATOM 0 H SER A 50 -10.487 8.186 -9.664 1.00 3.60 H new ATOM 0 HA SER A 50 -10.873 5.270 -9.540 1.00 2.42 H new ATOM 0 HB2 SER A 50 -11.294 7.159 -11.935 1.00 2.41 H new ATOM 0 HB3 SER A 50 -11.660 5.445 -11.910 1.00 2.41 H new ATOM 0 HG SER A 50 -13.549 6.751 -11.557 1.00 2.88 H new ATOM 822 N SER A 51 -8.225 6.710 -10.503 1.00 2.58 N ATOM 823 CA SER A 51 -6.825 6.450 -10.883 1.00 2.77 C ATOM 824 C SER A 51 -6.260 5.211 -10.171 1.00 2.51 C ATOM 825 O SER A 51 -5.447 4.486 -10.743 1.00 2.81 O ATOM 826 CB SER A 51 -6.006 7.707 -10.536 1.00 3.61 C ATOM 827 OG SER A 51 -4.699 7.709 -11.086 1.00 5.14 O ATOM 0 H SER A 51 -8.358 7.623 -10.069 1.00 2.58 H new ATOM 0 HA SER A 51 -6.768 6.240 -11.951 1.00 2.77 H new ATOM 0 HB2 SER A 51 -6.541 8.587 -10.892 1.00 3.61 H new ATOM 0 HB3 SER A 51 -5.934 7.794 -9.452 1.00 3.61 H new ATOM 0 HG SER A 51 -4.237 8.534 -10.828 1.00 5.14 H new ATOM 833 N ILE A 52 -6.764 4.884 -8.969 1.00 2.24 N ATOM 834 CA ILE A 52 -6.498 3.592 -8.307 1.00 1.90 C ATOM 835 C ILE A 52 -6.781 2.380 -9.207 1.00 1.58 C ATOM 836 O ILE A 52 -6.082 1.375 -9.050 1.00 1.48 O ATOM 837 CB ILE A 52 -7.191 3.451 -6.920 1.00 2.00 C ATOM 838 CG1 ILE A 52 -7.062 1.987 -6.410 1.00 2.63 C ATOM 839 CG2 ILE A 52 -8.657 3.921 -6.935 1.00 2.54 C ATOM 840 CD1 ILE A 52 -7.526 1.636 -5.003 1.00 2.51 C ATOM 0 H ILE A 52 -7.366 5.505 -8.429 1.00 2.24 H new ATOM 0 HA ILE A 52 -5.425 3.598 -8.117 1.00 1.90 H new ATOM 0 HB ILE A 52 -6.676 4.113 -6.224 1.00 2.00 H new ATOM 0 HG12 ILE A 52 -7.613 1.351 -7.103 1.00 2.63 H new ATOM 0 HG13 ILE A 52 -6.011 1.707 -6.486 1.00 2.63 H new ATOM 0 HG21 ILE A 52 -9.088 3.799 -5.941 1.00 2.54 H new ATOM 0 HG22 ILE A 52 -8.699 4.971 -7.223 1.00 2.54 H new ATOM 0 HG23 ILE A 52 -9.223 3.325 -7.652 1.00 2.54 H new ATOM 0 HD11 ILE A 52 -7.361 0.574 -4.820 1.00 2.51 H new ATOM 0 HD12 ILE A 52 -6.962 2.222 -4.277 1.00 2.51 H new ATOM 0 HD13 ILE A 52 -8.588 1.860 -4.904 1.00 2.51 H new ATOM 852 N ASP A 53 -7.751 2.433 -10.119 1.00 1.59 N ATOM 853 CA ASP A 53 -8.035 1.302 -10.999 1.00 1.48 C ATOM 854 C ASP A 53 -6.820 1.002 -11.883 1.00 1.28 C ATOM 855 O ASP A 53 -6.381 -0.150 -11.925 1.00 1.10 O ATOM 856 CB ASP A 53 -9.322 1.547 -11.804 1.00 2.02 C ATOM 857 CG ASP A 53 -9.781 0.269 -12.514 1.00 2.68 C ATOM 858 OD1 ASP A 53 -10.142 -0.717 -11.830 1.00 2.85 O ATOM 859 OD2 ASP A 53 -9.713 0.194 -13.764 1.00 4.04 O ATOM 0 H ASP A 53 -8.351 3.244 -10.267 1.00 1.59 H new ATOM 0 HA ASP A 53 -8.217 0.411 -10.398 1.00 1.48 H new ATOM 0 HB2 ASP A 53 -10.110 1.899 -11.138 1.00 2.02 H new ATOM 0 HB3 ASP A 53 -9.151 2.333 -12.539 1.00 2.02 H new ATOM 864 N ASP A 54 -6.185 2.019 -12.487 1.00 1.57 N ATOM 865 CA ASP A 54 -4.911 1.778 -13.159 1.00 1.70 C ATOM 866 C ASP A 54 -3.818 1.397 -12.166 1.00 1.37 C ATOM 867 O ASP A 54 -3.072 0.490 -12.494 1.00 1.46 O ATOM 868 CB ASP A 54 -4.412 2.917 -14.056 1.00 2.41 C ATOM 869 CG ASP A 54 -3.215 2.381 -14.881 1.00 2.89 C ATOM 870 OD1 ASP A 54 -3.404 1.543 -15.794 1.00 3.68 O ATOM 871 OD2 ASP A 54 -2.055 2.665 -14.502 1.00 3.45 O ATOM 0 H ASP A 54 -6.522 2.981 -12.522 1.00 1.57 H new ATOM 0 HA ASP A 54 -5.126 0.943 -13.826 1.00 1.70 H new ATOM 0 HB2 ASP A 54 -5.208 3.260 -14.717 1.00 2.41 H new ATOM 0 HB3 ASP A 54 -4.108 3.773 -13.453 1.00 2.41 H new ATOM 876 N LEU A 55 -3.707 1.992 -10.968 1.00 1.19 N ATOM 877 CA LEU A 55 -2.641 1.618 -10.018 1.00 1.04 C ATOM 878 C LEU A 55 -2.684 0.116 -9.692 1.00 0.93 C ATOM 879 O LEU A 55 -1.672 -0.578 -9.816 1.00 1.03 O ATOM 880 CB LEU A 55 -2.710 2.475 -8.738 1.00 0.95 C ATOM 881 CG LEU A 55 -2.545 3.991 -8.931 1.00 1.20 C ATOM 882 CD1 LEU A 55 -2.630 4.693 -7.569 1.00 1.25 C ATOM 883 CD2 LEU A 55 -1.220 4.358 -9.616 1.00 1.43 C ATOM 0 H LEU A 55 -4.333 2.725 -10.635 1.00 1.19 H new ATOM 0 HA LEU A 55 -1.683 1.820 -10.498 1.00 1.04 H new ATOM 0 HB2 LEU A 55 -3.670 2.293 -8.254 1.00 0.95 H new ATOM 0 HB3 LEU A 55 -1.937 2.130 -8.052 1.00 0.95 H new ATOM 0 HG LEU A 55 -3.351 4.325 -9.584 1.00 1.20 H new ATOM 0 HD11 LEU A 55 -2.513 5.768 -7.706 1.00 1.25 H new ATOM 0 HD12 LEU A 55 -3.599 4.488 -7.114 1.00 1.25 H new ATOM 0 HD13 LEU A 55 -1.838 4.322 -6.918 1.00 1.25 H new ATOM 0 HD21 LEU A 55 -1.156 5.440 -9.727 1.00 1.43 H new ATOM 0 HD22 LEU A 55 -0.386 4.005 -9.009 1.00 1.43 H new ATOM 0 HD23 LEU A 55 -1.176 3.889 -10.599 1.00 1.43 H new ATOM 895 N MET A 56 -3.865 -0.416 -9.373 1.00 0.84 N ATOM 896 CA MET A 56 -4.083 -1.849 -9.117 1.00 0.88 C ATOM 897 C MET A 56 -3.791 -2.735 -10.335 1.00 1.07 C ATOM 898 O MET A 56 -3.216 -3.815 -10.184 1.00 1.31 O ATOM 899 CB MET A 56 -5.529 -2.065 -8.642 1.00 0.91 C ATOM 900 CG MET A 56 -5.799 -1.397 -7.289 1.00 1.02 C ATOM 901 SD MET A 56 -4.860 -2.062 -5.889 1.00 1.73 S ATOM 902 CE MET A 56 -5.993 -3.376 -5.397 1.00 1.68 C ATOM 0 H MET A 56 -4.714 0.142 -9.283 1.00 0.84 H new ATOM 0 HA MET A 56 -3.376 -2.149 -8.344 1.00 0.88 H new ATOM 0 HB2 MET A 56 -6.218 -1.666 -9.386 1.00 0.91 H new ATOM 0 HB3 MET A 56 -5.728 -3.134 -8.564 1.00 0.91 H new ATOM 0 HG2 MET A 56 -5.579 -0.333 -7.379 1.00 1.02 H new ATOM 0 HG3 MET A 56 -6.862 -1.485 -7.066 1.00 1.02 H new ATOM 0 HE1 MET A 56 -5.583 -3.907 -4.538 1.00 1.68 H new ATOM 0 HE2 MET A 56 -6.957 -2.944 -5.130 1.00 1.68 H new ATOM 0 HE3 MET A 56 -6.124 -4.072 -6.225 1.00 1.68 H new ATOM 912 N LYS A 57 -4.143 -2.295 -11.550 1.00 1.13 N ATOM 913 CA LYS A 57 -3.801 -3.016 -12.791 1.00 1.44 C ATOM 914 C LYS A 57 -2.336 -2.821 -13.191 1.00 1.54 C ATOM 915 O LYS A 57 -1.795 -3.651 -13.901 1.00 1.75 O ATOM 916 CB LYS A 57 -4.742 -2.606 -13.949 1.00 1.68 C ATOM 917 CG LYS A 57 -5.937 -3.561 -14.104 1.00 2.24 C ATOM 918 CD LYS A 57 -6.916 -3.492 -12.926 1.00 3.26 C ATOM 919 CE LYS A 57 -7.831 -2.272 -13.030 1.00 3.73 C ATOM 920 NZ LYS A 57 -9.073 -2.477 -13.808 1.00 4.35 N ATOM 0 H LYS A 57 -4.670 -1.435 -11.704 1.00 1.13 H new ATOM 0 HA LYS A 57 -3.942 -4.078 -12.588 1.00 1.44 H new ATOM 0 HB2 LYS A 57 -5.110 -1.595 -13.773 1.00 1.68 H new ATOM 0 HB3 LYS A 57 -4.177 -2.582 -14.881 1.00 1.68 H new ATOM 0 HG2 LYS A 57 -6.468 -3.323 -15.025 1.00 2.24 H new ATOM 0 HG3 LYS A 57 -5.569 -4.582 -14.204 1.00 2.24 H new ATOM 0 HD2 LYS A 57 -7.519 -4.399 -12.899 1.00 3.26 H new ATOM 0 HD3 LYS A 57 -6.359 -3.452 -11.990 1.00 3.26 H new ATOM 0 HE2 LYS A 57 -8.101 -1.954 -12.023 1.00 3.73 H new ATOM 0 HE3 LYS A 57 -7.269 -1.455 -13.482 1.00 3.73 H new ATOM 0 HZ1 LYS A 57 -9.422 -1.560 -14.153 1.00 4.35 H new ATOM 0 HZ2 LYS A 57 -8.877 -3.100 -14.618 1.00 4.35 H new ATOM 0 HZ3 LYS A 57 -9.795 -2.916 -13.201 1.00 4.35 H new ATOM 934 N SER A 58 -1.703 -1.746 -12.749 1.00 1.44 N ATOM 935 CA SER A 58 -0.299 -1.363 -12.984 1.00 1.47 C ATOM 936 C SER A 58 0.690 -2.141 -12.128 1.00 1.40 C ATOM 937 O SER A 58 1.839 -2.302 -12.534 1.00 1.54 O ATOM 938 CB SER A 58 -0.071 0.151 -12.929 1.00 1.46 C ATOM 939 OG SER A 58 -0.412 0.680 -14.205 1.00 2.04 O ATOM 0 H SER A 58 -2.185 -1.058 -12.171 1.00 1.44 H new ATOM 0 HA SER A 58 -0.090 -1.658 -14.012 1.00 1.47 H new ATOM 0 HB2 SER A 58 -0.684 0.603 -12.150 1.00 1.46 H new ATOM 0 HB3 SER A 58 0.968 0.374 -12.686 1.00 1.46 H new ATOM 0 HG SER A 58 -1.069 1.399 -14.096 1.00 2.04 H new ATOM 945 N LEU A 59 0.220 -2.730 -11.019 1.00 1.29 N ATOM 946 CA LEU A 59 0.893 -3.846 -10.359 1.00 1.33 C ATOM 947 C LEU A 59 0.739 -5.122 -11.200 1.00 1.38 C ATOM 948 O LEU A 59 1.725 -5.759 -11.560 1.00 1.42 O ATOM 949 CB LEU A 59 0.301 -3.994 -8.939 1.00 1.27 C ATOM 950 CG LEU A 59 0.616 -2.821 -7.987 1.00 1.27 C ATOM 951 CD1 LEU A 59 -0.009 -3.107 -6.614 1.00 1.25 C ATOM 952 CD2 LEU A 59 2.124 -2.561 -7.835 1.00 1.56 C ATOM 0 H LEU A 59 -0.642 -2.441 -10.557 1.00 1.29 H new ATOM 0 HA LEU A 59 1.963 -3.662 -10.268 1.00 1.33 H new ATOM 0 HB2 LEU A 59 -0.781 -4.099 -9.020 1.00 1.27 H new ATOM 0 HB3 LEU A 59 0.679 -4.916 -8.496 1.00 1.27 H new ATOM 0 HG LEU A 59 0.187 -1.919 -8.424 1.00 1.27 H new ATOM 0 HD11 LEU A 59 0.210 -2.282 -5.936 1.00 1.25 H new ATOM 0 HD12 LEU A 59 -1.089 -3.213 -6.721 1.00 1.25 H new ATOM 0 HD13 LEU A 59 0.408 -4.029 -6.210 1.00 1.25 H new ATOM 0 HD21 LEU A 59 2.282 -1.725 -7.154 1.00 1.56 H new ATOM 0 HD22 LEU A 59 2.608 -3.452 -7.435 1.00 1.56 H new ATOM 0 HD23 LEU A 59 2.552 -2.322 -8.809 1.00 1.56 H new ATOM 964 N ASP A 60 -0.495 -5.460 -11.575 1.00 1.43 N ATOM 965 CA ASP A 60 -0.812 -6.650 -12.373 1.00 1.56 C ATOM 966 C ASP A 60 -0.106 -6.675 -13.762 1.00 1.61 C ATOM 967 O ASP A 60 0.223 -7.744 -14.275 1.00 1.87 O ATOM 968 CB ASP A 60 -2.346 -6.778 -12.464 1.00 1.68 C ATOM 969 CG ASP A 60 -2.832 -8.190 -12.090 1.00 2.26 C ATOM 970 OD1 ASP A 60 -2.770 -9.108 -12.936 1.00 3.03 O ATOM 971 OD2 ASP A 60 -3.280 -8.375 -10.931 1.00 3.12 O ATOM 0 H ASP A 60 -1.317 -4.908 -11.330 1.00 1.43 H new ATOM 0 HA ASP A 60 -0.410 -7.530 -11.871 1.00 1.56 H new ATOM 0 HB2 ASP A 60 -2.810 -6.048 -11.801 1.00 1.68 H new ATOM 0 HB3 ASP A 60 -2.670 -6.540 -13.477 1.00 1.68 H new ATOM 976 N LYS A 61 0.210 -5.498 -14.320 1.00 1.52 N ATOM 977 CA LYS A 61 0.780 -5.221 -15.658 1.00 1.54 C ATOM 978 C LYS A 61 2.158 -5.875 -15.904 1.00 1.45 C ATOM 979 O LYS A 61 2.478 -6.236 -17.032 1.00 1.62 O ATOM 980 CB LYS A 61 0.918 -3.677 -15.779 1.00 1.56 C ATOM 981 CG LYS A 61 0.572 -2.977 -17.110 1.00 1.86 C ATOM 982 CD LYS A 61 -0.929 -2.733 -17.395 1.00 2.48 C ATOM 983 CE LYS A 61 -1.713 -1.775 -16.466 1.00 3.18 C ATOM 984 NZ LYS A 61 -1.443 -0.315 -16.626 1.00 3.77 N ATOM 0 H LYS A 61 0.062 -4.631 -13.803 1.00 1.52 H new ATOM 0 HA LYS A 61 0.112 -5.650 -16.405 1.00 1.54 H new ATOM 0 HB2 LYS A 61 0.291 -3.233 -15.006 1.00 1.56 H new ATOM 0 HB3 LYS A 61 1.950 -3.423 -15.537 1.00 1.56 H new ATOM 0 HG2 LYS A 61 1.084 -2.015 -17.132 1.00 1.86 H new ATOM 0 HG3 LYS A 61 0.981 -3.574 -17.925 1.00 1.86 H new ATOM 0 HD2 LYS A 61 -1.015 -2.352 -18.412 1.00 2.48 H new ATOM 0 HD3 LYS A 61 -1.432 -3.700 -17.373 1.00 2.48 H new ATOM 0 HE2 LYS A 61 -2.778 -1.943 -16.625 1.00 3.18 H new ATOM 0 HE3 LYS A 61 -1.497 -2.050 -15.434 1.00 3.18 H new ATOM 0 HZ1 LYS A 61 -0.898 0.029 -15.810 1.00 3.77 H new ATOM 0 HZ2 LYS A 61 -0.898 -0.156 -17.498 1.00 3.77 H new ATOM 0 HZ3 LYS A 61 -2.344 0.201 -16.682 1.00 3.77 H new ATOM 998 N ASN A 62 2.966 -6.001 -14.850 1.00 1.35 N ATOM 999 CA ASN A 62 4.343 -6.505 -14.860 1.00 1.47 C ATOM 1000 C ASN A 62 4.588 -7.203 -13.529 1.00 1.66 C ATOM 1001 O ASN A 62 5.185 -6.625 -12.626 1.00 2.96 O ATOM 1002 CB ASN A 62 5.342 -5.346 -15.035 1.00 1.59 C ATOM 1003 CG ASN A 62 5.544 -5.007 -16.495 1.00 1.87 C ATOM 1004 OD1 ASN A 62 5.044 -4.005 -16.991 1.00 2.25 O ATOM 1005 ND2 ASN A 62 6.282 -5.840 -17.204 1.00 2.67 N ATOM 0 H ASN A 62 2.661 -5.740 -13.912 1.00 1.35 H new ATOM 0 HA ASN A 62 4.483 -7.196 -15.691 1.00 1.47 H new ATOM 0 HB2 ASN A 62 4.979 -4.467 -14.503 1.00 1.59 H new ATOM 0 HB3 ASN A 62 6.298 -5.617 -14.587 1.00 1.59 H new ATOM 0 HD21 ASN A 62 6.449 -5.657 -18.193 1.00 2.67 H new ATOM 0 HD22 ASN A 62 6.685 -6.666 -16.763 1.00 2.67 H new ATOM 1012 N SER A 63 4.038 -8.396 -13.358 1.00 1.66 N ATOM 1013 CA SER A 63 3.743 -8.944 -12.030 1.00 1.61 C ATOM 1014 C SER A 63 4.868 -9.761 -11.419 1.00 1.62 C ATOM 1015 O SER A 63 4.973 -9.889 -10.199 1.00 1.85 O ATOM 1016 CB SER A 63 2.524 -9.841 -12.153 1.00 1.82 C ATOM 1017 OG SER A 63 1.386 -9.013 -12.127 1.00 2.01 O ATOM 0 H SER A 63 3.782 -9.014 -14.128 1.00 1.66 H new ATOM 0 HA SER A 63 3.586 -8.091 -11.370 1.00 1.61 H new ATOM 0 HB2 SER A 63 2.561 -10.413 -13.080 1.00 1.82 H new ATOM 0 HB3 SER A 63 2.493 -10.561 -11.335 1.00 1.82 H new ATOM 0 HG SER A 63 1.165 -8.732 -13.040 1.00 2.01 H new ATOM 1023 N ASP A 64 5.707 -10.305 -12.286 1.00 1.54 N ATOM 1024 CA ASP A 64 6.477 -11.537 -12.101 1.00 1.63 C ATOM 1025 C ASP A 64 7.932 -11.169 -11.780 1.00 1.61 C ATOM 1026 O ASP A 64 8.904 -11.851 -12.091 1.00 1.97 O ATOM 1027 CB ASP A 64 6.282 -12.386 -13.375 1.00 1.84 C ATOM 1028 CG ASP A 64 4.800 -12.400 -13.797 1.00 2.34 C ATOM 1029 OD1 ASP A 64 4.056 -13.277 -13.303 1.00 2.87 O ATOM 1030 OD2 ASP A 64 4.399 -11.451 -14.517 1.00 3.37 O ATOM 0 H ASP A 64 5.883 -9.877 -13.195 1.00 1.54 H new ATOM 0 HA ASP A 64 6.141 -12.140 -11.257 1.00 1.63 H new ATOM 0 HB2 ASP A 64 6.892 -11.983 -14.184 1.00 1.84 H new ATOM 0 HB3 ASP A 64 6.624 -13.405 -13.195 1.00 1.84 H new ATOM 1035 N GLN A 65 8.057 -9.960 -11.249 1.00 1.46 N ATOM 1036 CA GLN A 65 9.257 -9.228 -10.919 1.00 1.40 C ATOM 1037 C GLN A 65 9.146 -8.818 -9.446 1.00 1.23 C ATOM 1038 O GLN A 65 8.042 -8.750 -8.891 1.00 1.24 O ATOM 1039 CB GLN A 65 9.381 -7.967 -11.811 1.00 1.53 C ATOM 1040 CG GLN A 65 8.205 -7.570 -12.731 1.00 1.41 C ATOM 1041 CD GLN A 65 8.066 -8.307 -14.072 1.00 2.69 C ATOM 1042 OE1 GLN A 65 7.449 -7.810 -15.001 1.00 3.32 O ATOM 1043 NE2 GLN A 65 8.598 -9.494 -14.261 1.00 4.02 N ATOM 0 H GLN A 65 7.226 -9.416 -11.017 1.00 1.46 H new ATOM 0 HA GLN A 65 10.140 -9.844 -11.087 1.00 1.40 H new ATOM 0 HB2 GLN A 65 9.583 -7.121 -11.155 1.00 1.53 H new ATOM 0 HB3 GLN A 65 10.260 -8.098 -12.442 1.00 1.53 H new ATOM 0 HG2 GLN A 65 7.280 -7.713 -12.173 1.00 1.41 H new ATOM 0 HG3 GLN A 65 8.289 -6.504 -12.942 1.00 1.41 H new ATOM 0 HE21 GLN A 65 9.121 -9.944 -13.510 1.00 4.02 H new ATOM 0 HE22 GLN A 65 8.488 -9.965 -15.159 1.00 4.02 H new ATOM 1052 N GLU A 66 10.279 -8.494 -8.834 1.00 1.15 N ATOM 1053 CA GLU A 66 10.284 -8.045 -7.455 1.00 1.03 C ATOM 1054 C GLU A 66 9.946 -6.559 -7.322 1.00 0.89 C ATOM 1055 O GLU A 66 10.360 -5.719 -8.116 1.00 1.00 O ATOM 1056 CB GLU A 66 11.629 -8.338 -6.782 1.00 1.09 C ATOM 1057 CG GLU A 66 11.942 -9.834 -6.692 1.00 1.36 C ATOM 1058 CD GLU A 66 13.341 -10.037 -6.125 1.00 1.84 C ATOM 1059 OE1 GLU A 66 13.534 -9.669 -4.943 1.00 2.50 O ATOM 1060 OE2 GLU A 66 14.204 -10.521 -6.882 1.00 2.80 O ATOM 0 H GLU A 66 11.199 -8.535 -9.272 1.00 1.15 H new ATOM 0 HA GLU A 66 9.502 -8.608 -6.946 1.00 1.03 H new ATOM 0 HB2 GLU A 66 12.423 -7.840 -7.338 1.00 1.09 H new ATOM 0 HB3 GLU A 66 11.627 -7.912 -5.779 1.00 1.09 H new ATOM 0 HG2 GLU A 66 11.207 -10.331 -6.058 1.00 1.36 H new ATOM 0 HG3 GLU A 66 11.871 -10.290 -7.680 1.00 1.36 H new ATOM 1067 N ILE A 67 9.222 -6.232 -6.254 1.00 0.76 N ATOM 1068 CA ILE A 67 9.080 -4.875 -5.720 1.00 0.73 C ATOM 1069 C ILE A 67 9.715 -4.742 -4.349 1.00 0.70 C ATOM 1070 O ILE A 67 9.470 -5.551 -3.462 1.00 0.62 O ATOM 1071 CB ILE A 67 7.610 -4.425 -5.584 1.00 0.82 C ATOM 1072 CG1 ILE A 67 6.628 -5.601 -5.460 1.00 1.60 C ATOM 1073 CG2 ILE A 67 7.299 -3.499 -6.750 1.00 1.49 C ATOM 1074 CD1 ILE A 67 5.208 -5.181 -5.128 1.00 1.88 C ATOM 0 H ILE A 67 8.700 -6.925 -5.717 1.00 0.76 H new ATOM 0 HA ILE A 67 9.587 -4.241 -6.448 1.00 0.73 H new ATOM 0 HB ILE A 67 7.478 -3.883 -4.648 1.00 0.82 H new ATOM 0 HG12 ILE A 67 6.623 -6.158 -6.397 1.00 1.60 H new ATOM 0 HG13 ILE A 67 6.986 -6.281 -4.687 1.00 1.60 H new ATOM 0 HG21 ILE A 67 6.264 -3.163 -6.682 1.00 1.49 H new ATOM 0 HG22 ILE A 67 7.964 -2.636 -6.716 1.00 1.49 H new ATOM 0 HG23 ILE A 67 7.446 -4.034 -7.688 1.00 1.49 H new ATOM 0 HD11 ILE A 67 4.574 -6.065 -5.057 1.00 1.88 H new ATOM 0 HD12 ILE A 67 5.199 -4.650 -4.176 1.00 1.88 H new ATOM 0 HD13 ILE A 67 4.830 -4.525 -5.912 1.00 1.88 H new ATOM 1086 N ASP A 68 10.429 -3.642 -4.165 1.00 0.85 N ATOM 1087 CA ASP A 68 10.919 -3.165 -2.875 1.00 0.85 C ATOM 1088 C ASP A 68 9.751 -2.615 -2.030 1.00 0.83 C ATOM 1089 O ASP A 68 8.785 -2.066 -2.568 1.00 1.06 O ATOM 1090 CB ASP A 68 11.971 -2.081 -3.187 1.00 1.05 C ATOM 1091 CG ASP A 68 12.792 -1.552 -2.005 1.00 1.43 C ATOM 1092 OD1 ASP A 68 12.207 -0.923 -1.093 1.00 2.19 O ATOM 1093 OD2 ASP A 68 14.041 -1.608 -2.078 1.00 2.73 O ATOM 0 H ASP A 68 10.695 -3.032 -4.938 1.00 0.85 H new ATOM 0 HA ASP A 68 11.368 -3.966 -2.287 1.00 0.85 H new ATOM 0 HB2 ASP A 68 12.662 -2.482 -3.928 1.00 1.05 H new ATOM 0 HB3 ASP A 68 11.461 -1.237 -3.651 1.00 1.05 H new ATOM 1098 N PHE A 69 9.889 -2.684 -0.701 1.00 0.84 N ATOM 1099 CA PHE A 69 9.034 -2.034 0.301 1.00 0.92 C ATOM 1100 C PHE A 69 8.676 -0.568 -0.038 1.00 0.89 C ATOM 1101 O PHE A 69 7.648 -0.049 0.396 1.00 1.01 O ATOM 1102 CB PHE A 69 9.791 -2.125 1.641 1.00 1.03 C ATOM 1103 CG PHE A 69 9.047 -1.650 2.879 1.00 1.06 C ATOM 1104 CD1 PHE A 69 8.873 -0.277 3.134 1.00 1.87 C ATOM 1105 CD2 PHE A 69 8.562 -2.582 3.811 1.00 2.45 C ATOM 1106 CE1 PHE A 69 8.233 0.169 4.302 1.00 2.65 C ATOM 1107 CE2 PHE A 69 7.896 -2.142 4.967 1.00 2.93 C ATOM 1108 CZ PHE A 69 7.745 -0.768 5.226 1.00 2.69 C ATOM 0 H PHE A 69 10.640 -3.224 -0.272 1.00 0.84 H new ATOM 0 HA PHE A 69 8.072 -2.544 0.338 1.00 0.92 H new ATOM 0 HB2 PHE A 69 10.083 -3.164 1.797 1.00 1.03 H new ATOM 0 HB3 PHE A 69 10.710 -1.545 1.553 1.00 1.03 H new ATOM 0 HD1 PHE A 69 9.238 0.446 2.419 1.00 1.87 H new ATOM 0 HD2 PHE A 69 8.701 -3.639 3.639 1.00 2.45 H new ATOM 0 HE1 PHE A 69 8.117 1.227 4.488 1.00 2.65 H new ATOM 0 HE2 PHE A 69 7.497 -2.865 5.663 1.00 2.93 H new ATOM 0 HZ PHE A 69 7.257 -0.436 6.130 1.00 2.69 H new ATOM 1118 N LYS A 70 9.491 0.124 -0.839 1.00 0.81 N ATOM 1119 CA LYS A 70 9.283 1.500 -1.283 1.00 0.83 C ATOM 1120 C LYS A 70 8.058 1.629 -2.179 1.00 0.85 C ATOM 1121 O LYS A 70 7.280 2.560 -1.988 1.00 0.82 O ATOM 1122 CB LYS A 70 10.533 1.910 -2.058 1.00 0.86 C ATOM 1123 CG LYS A 70 11.685 2.246 -1.102 1.00 2.05 C ATOM 1124 CD LYS A 70 13.069 1.975 -1.718 1.00 2.60 C ATOM 1125 CE LYS A 70 13.985 1.543 -0.567 1.00 3.93 C ATOM 1126 NZ LYS A 70 15.101 0.667 -0.996 1.00 4.51 N ATOM 0 H LYS A 70 10.351 -0.280 -1.211 1.00 0.81 H new ATOM 0 HA LYS A 70 9.112 2.142 -0.419 1.00 0.83 H new ATOM 0 HB2 LYS A 70 10.833 1.102 -2.725 1.00 0.86 H new ATOM 0 HB3 LYS A 70 10.311 2.774 -2.684 1.00 0.86 H new ATOM 0 HG2 LYS A 70 11.619 3.296 -0.816 1.00 2.05 H new ATOM 0 HG3 LYS A 70 11.577 1.659 -0.190 1.00 2.05 H new ATOM 0 HD2 LYS A 70 13.009 1.196 -2.478 1.00 2.60 H new ATOM 0 HD3 LYS A 70 13.457 2.869 -2.207 1.00 2.60 H new ATOM 0 HE2 LYS A 70 14.395 2.431 -0.087 1.00 3.93 H new ATOM 0 HE3 LYS A 70 13.391 1.020 0.183 1.00 3.93 H new ATOM 0 HZ1 LYS A 70 15.822 0.632 -0.248 1.00 4.51 H new ATOM 0 HZ2 LYS A 70 14.741 -0.292 -1.174 1.00 4.51 H new ATOM 0 HZ3 LYS A 70 15.524 1.045 -1.867 1.00 4.51 H new ATOM 1140 N GLU A 71 7.876 0.688 -3.111 1.00 0.91 N ATOM 1141 CA GLU A 71 6.679 0.661 -3.948 1.00 0.88 C ATOM 1142 C GLU A 71 5.447 0.427 -3.079 1.00 0.86 C ATOM 1143 O GLU A 71 4.414 1.049 -3.280 1.00 0.90 O ATOM 1144 CB GLU A 71 6.783 -0.390 -5.056 1.00 0.91 C ATOM 1145 CG GLU A 71 7.752 0.064 -6.164 1.00 0.99 C ATOM 1146 CD GLU A 71 7.059 0.179 -7.535 1.00 1.64 C ATOM 1147 OE1 GLU A 71 6.383 -0.796 -7.959 1.00 2.78 O ATOM 1148 OE2 GLU A 71 7.226 1.232 -8.184 1.00 2.08 O ATOM 0 H GLU A 71 8.541 -0.061 -3.302 1.00 0.91 H new ATOM 0 HA GLU A 71 6.585 1.629 -4.441 1.00 0.88 H new ATOM 0 HB2 GLU A 71 7.126 -1.335 -4.634 1.00 0.91 H new ATOM 0 HB3 GLU A 71 5.797 -0.571 -5.483 1.00 0.91 H new ATOM 0 HG2 GLU A 71 8.182 1.029 -5.895 1.00 0.99 H new ATOM 0 HG3 GLU A 71 8.577 -0.644 -6.235 1.00 0.99 H new ATOM 1155 N TYR A 72 5.586 -0.350 -2.008 1.00 0.82 N ATOM 1156 CA TYR A 72 4.513 -0.535 -1.018 1.00 0.77 C ATOM 1157 C TYR A 72 4.193 0.755 -0.220 1.00 0.76 C ATOM 1158 O TYR A 72 3.023 1.138 -0.107 1.00 0.77 O ATOM 1159 CB TYR A 72 4.892 -1.741 -0.148 1.00 0.81 C ATOM 1160 CG TYR A 72 4.272 -1.823 1.235 1.00 0.76 C ATOM 1161 CD1 TYR A 72 2.904 -2.125 1.396 1.00 1.82 C ATOM 1162 CD2 TYR A 72 5.085 -1.676 2.377 1.00 2.32 C ATOM 1163 CE1 TYR A 72 2.373 -2.350 2.676 1.00 1.66 C ATOM 1164 CE2 TYR A 72 4.558 -1.898 3.661 1.00 2.55 C ATOM 1165 CZ TYR A 72 3.200 -2.260 3.813 1.00 1.05 C ATOM 1166 OH TYR A 72 2.701 -2.561 5.040 1.00 1.30 O ATOM 0 H TYR A 72 6.438 -0.869 -1.797 1.00 0.82 H new ATOM 0 HA TYR A 72 3.569 -0.746 -1.520 1.00 0.77 H new ATOM 0 HB2 TYR A 72 4.624 -2.647 -0.692 1.00 0.81 H new ATOM 0 HB3 TYR A 72 5.976 -1.747 -0.033 1.00 0.81 H new ATOM 0 HD1 TYR A 72 2.261 -2.184 0.530 1.00 1.82 H new ATOM 0 HD2 TYR A 72 6.121 -1.391 2.265 1.00 2.32 H new ATOM 0 HE1 TYR A 72 1.327 -2.593 2.789 1.00 1.66 H new ATOM 0 HE2 TYR A 72 5.190 -1.792 4.530 1.00 2.55 H new ATOM 0 HH TYR A 72 3.435 -2.813 5.639 1.00 1.30 H new ATOM 1176 N SER A 73 5.208 1.464 0.284 1.00 0.76 N ATOM 1177 CA SER A 73 5.029 2.729 1.014 1.00 0.74 C ATOM 1178 C SER A 73 4.554 3.882 0.127 1.00 0.73 C ATOM 1179 O SER A 73 3.649 4.611 0.552 1.00 0.71 O ATOM 1180 CB SER A 73 6.288 3.097 1.818 1.00 0.80 C ATOM 1181 OG SER A 73 7.405 3.418 1.022 1.00 1.30 O ATOM 0 H SER A 73 6.183 1.177 0.198 1.00 0.76 H new ATOM 0 HA SER A 73 4.220 2.558 1.725 1.00 0.74 H new ATOM 0 HB2 SER A 73 6.059 3.945 2.463 1.00 0.80 H new ATOM 0 HB3 SER A 73 6.547 2.262 2.469 1.00 0.80 H new ATOM 0 HG SER A 73 8.157 3.668 1.599 1.00 1.30 H new ATOM 1187 N VAL A 74 5.053 4.043 -1.103 1.00 0.76 N ATOM 1188 CA VAL A 74 4.508 5.059 -2.017 1.00 0.76 C ATOM 1189 C VAL A 74 3.106 4.706 -2.508 1.00 0.75 C ATOM 1190 O VAL A 74 2.295 5.613 -2.581 1.00 0.81 O ATOM 1191 CB VAL A 74 5.398 5.419 -3.224 1.00 0.79 C ATOM 1192 CG1 VAL A 74 6.783 5.890 -2.769 1.00 0.88 C ATOM 1193 CG2 VAL A 74 5.480 4.334 -4.298 1.00 0.79 C ATOM 0 H VAL A 74 5.822 3.493 -1.487 1.00 0.76 H new ATOM 0 HA VAL A 74 4.470 5.951 -1.391 1.00 0.76 H new ATOM 0 HB VAL A 74 4.899 6.252 -3.718 1.00 0.79 H new ATOM 0 HG11 VAL A 74 7.388 6.137 -3.641 1.00 0.88 H new ATOM 0 HG12 VAL A 74 6.678 6.773 -2.139 1.00 0.88 H new ATOM 0 HG13 VAL A 74 7.270 5.096 -2.203 1.00 0.88 H new ATOM 0 HG21 VAL A 74 6.126 4.672 -5.108 1.00 0.79 H new ATOM 0 HG22 VAL A 74 5.890 3.422 -3.864 1.00 0.79 H new ATOM 0 HG23 VAL A 74 4.483 4.133 -4.689 1.00 0.79 H new ATOM 1203 N PHE A 75 2.776 3.435 -2.797 1.00 0.70 N ATOM 1204 CA PHE A 75 1.457 3.066 -3.333 1.00 0.63 C ATOM 1205 C PHE A 75 0.349 3.373 -2.322 1.00 0.54 C ATOM 1206 O PHE A 75 -0.630 4.044 -2.658 1.00 0.51 O ATOM 1207 CB PHE A 75 1.465 1.581 -3.733 1.00 0.65 C ATOM 1208 CG PHE A 75 0.257 1.106 -4.513 1.00 0.61 C ATOM 1209 CD1 PHE A 75 -0.970 0.839 -3.879 1.00 1.90 C ATOM 1210 CD2 PHE A 75 0.384 0.893 -5.899 1.00 1.76 C ATOM 1211 CE1 PHE A 75 -2.075 0.393 -4.633 1.00 1.88 C ATOM 1212 CE2 PHE A 75 -0.706 0.429 -6.640 1.00 1.74 C ATOM 1213 CZ PHE A 75 -1.947 0.201 -6.020 1.00 0.54 C ATOM 0 H PHE A 75 3.408 2.645 -2.667 1.00 0.70 H new ATOM 0 HA PHE A 75 1.250 3.663 -4.221 1.00 0.63 H new ATOM 0 HB2 PHE A 75 2.358 1.388 -4.328 1.00 0.65 H new ATOM 0 HB3 PHE A 75 1.550 0.980 -2.828 1.00 0.65 H new ATOM 0 HD1 PHE A 75 -1.066 0.976 -2.812 1.00 1.90 H new ATOM 0 HD2 PHE A 75 1.326 1.089 -6.390 1.00 1.76 H new ATOM 0 HE1 PHE A 75 -3.019 0.199 -4.145 1.00 1.88 H new ATOM 0 HE2 PHE A 75 -0.594 0.244 -7.698 1.00 1.74 H new ATOM 0 HZ PHE A 75 -2.796 -0.119 -6.605 1.00 0.54 H new ATOM 1223 N LEU A 76 0.555 2.958 -1.066 1.00 0.56 N ATOM 1224 CA LEU A 76 -0.297 3.306 0.076 1.00 0.52 C ATOM 1225 C LEU A 76 -0.446 4.824 0.223 1.00 0.52 C ATOM 1226 O LEU A 76 -1.557 5.307 0.440 1.00 0.52 O ATOM 1227 CB LEU A 76 0.316 2.718 1.359 1.00 0.50 C ATOM 1228 CG LEU A 76 0.128 1.200 1.545 1.00 0.59 C ATOM 1229 CD1 LEU A 76 0.951 0.745 2.757 1.00 0.94 C ATOM 1230 CD2 LEU A 76 -1.348 0.841 1.779 1.00 0.78 C ATOM 0 H LEU A 76 1.338 2.356 -0.810 1.00 0.56 H new ATOM 0 HA LEU A 76 -1.289 2.888 -0.094 1.00 0.52 H new ATOM 0 HB2 LEU A 76 1.383 2.938 1.366 1.00 0.50 H new ATOM 0 HB3 LEU A 76 -0.120 3.229 2.217 1.00 0.50 H new ATOM 0 HG LEU A 76 0.462 0.697 0.637 1.00 0.59 H new ATOM 0 HD11 LEU A 76 0.826 -0.328 2.899 1.00 0.94 H new ATOM 0 HD12 LEU A 76 2.004 0.968 2.586 1.00 0.94 H new ATOM 0 HD13 LEU A 76 0.608 1.271 3.648 1.00 0.94 H new ATOM 0 HD21 LEU A 76 -1.444 -0.237 1.906 1.00 0.78 H new ATOM 0 HD22 LEU A 76 -1.707 1.346 2.676 1.00 0.78 H new ATOM 0 HD23 LEU A 76 -1.940 1.160 0.921 1.00 0.78 H new ATOM 1242 N THR A 77 0.654 5.571 0.066 1.00 0.55 N ATOM 1243 CA THR A 77 0.691 7.031 0.200 1.00 0.57 C ATOM 1244 C THR A 77 0.001 7.757 -0.961 1.00 0.58 C ATOM 1245 O THR A 77 -0.763 8.685 -0.711 1.00 0.63 O ATOM 1246 CB THR A 77 2.137 7.492 0.406 1.00 0.66 C ATOM 1247 OG1 THR A 77 2.703 6.895 1.548 1.00 0.73 O ATOM 1248 CG2 THR A 77 2.149 8.996 0.656 1.00 0.79 C ATOM 0 H THR A 77 1.562 5.167 -0.163 1.00 0.55 H new ATOM 0 HA THR A 77 0.112 7.304 1.082 1.00 0.57 H new ATOM 0 HB THR A 77 2.702 7.215 -0.484 1.00 0.66 H new ATOM 0 HG1 THR A 77 3.227 6.111 1.282 1.00 0.73 H new ATOM 0 HG21 THR A 77 3.175 9.332 0.804 1.00 0.79 H new ATOM 0 HG22 THR A 77 1.719 9.511 -0.203 1.00 0.79 H new ATOM 0 HG23 THR A 77 1.562 9.222 1.546 1.00 0.79 H new ATOM 1256 N MET A 78 0.194 7.334 -2.213 1.00 0.58 N ATOM 1257 CA MET A 78 -0.501 7.882 -3.396 1.00 0.60 C ATOM 1258 C MET A 78 -2.015 7.759 -3.271 1.00 0.60 C ATOM 1259 O MET A 78 -2.750 8.656 -3.670 1.00 0.71 O ATOM 1260 CB MET A 78 -0.058 7.144 -4.669 1.00 0.61 C ATOM 1261 CG MET A 78 1.426 7.340 -4.970 1.00 2.33 C ATOM 1262 SD MET A 78 1.792 7.878 -6.656 1.00 1.80 S ATOM 1263 CE MET A 78 1.422 6.323 -7.520 1.00 1.17 C ATOM 0 H MET A 78 0.849 6.587 -2.444 1.00 0.58 H new ATOM 0 HA MET A 78 -0.235 8.937 -3.458 1.00 0.60 H new ATOM 0 HB2 MET A 78 -0.266 6.080 -4.559 1.00 0.61 H new ATOM 0 HB3 MET A 78 -0.647 7.499 -5.515 1.00 0.61 H new ATOM 0 HG2 MET A 78 1.830 8.075 -4.273 1.00 2.33 H new ATOM 0 HG3 MET A 78 1.948 6.402 -4.782 1.00 2.33 H new ATOM 0 HE1 MET A 78 1.590 6.452 -8.589 1.00 1.17 H new ATOM 0 HE2 MET A 78 2.073 5.534 -7.143 1.00 1.17 H new ATOM 0 HE3 MET A 78 0.381 6.049 -7.346 1.00 1.17 H new ATOM 1273 N LEU A 79 -2.475 6.661 -2.667 1.00 0.58 N ATOM 1274 CA LEU A 79 -3.903 6.470 -2.431 1.00 0.74 C ATOM 1275 C LEU A 79 -4.517 7.534 -1.523 1.00 0.93 C ATOM 1276 O LEU A 79 -5.668 7.884 -1.746 1.00 0.92 O ATOM 1277 CB LEU A 79 -4.213 5.052 -1.908 1.00 0.91 C ATOM 1278 CG LEU A 79 -5.086 4.213 -2.860 1.00 1.02 C ATOM 1279 CD1 LEU A 79 -6.308 4.966 -3.413 1.00 1.60 C ATOM 1280 CD2 LEU A 79 -4.226 3.660 -4.009 1.00 2.21 C ATOM 0 H LEU A 79 -1.884 5.899 -2.336 1.00 0.58 H new ATOM 0 HA LEU A 79 -4.377 6.586 -3.406 1.00 0.74 H new ATOM 0 HB2 LEU A 79 -3.274 4.526 -1.734 1.00 0.91 H new ATOM 0 HB3 LEU A 79 -4.717 5.133 -0.945 1.00 0.91 H new ATOM 0 HG LEU A 79 -5.489 3.393 -2.266 1.00 1.02 H new ATOM 0 HD11 LEU A 79 -6.872 4.308 -4.075 1.00 1.60 H new ATOM 0 HD12 LEU A 79 -6.945 5.282 -2.587 1.00 1.60 H new ATOM 0 HD13 LEU A 79 -5.974 5.842 -3.970 1.00 1.60 H new ATOM 0 HD21 LEU A 79 -4.850 3.068 -4.678 1.00 2.21 H new ATOM 0 HD22 LEU A 79 -3.784 4.488 -4.563 1.00 2.21 H new ATOM 0 HD23 LEU A 79 -3.434 3.032 -3.601 1.00 2.21 H new ATOM 1292 N CYS A 80 -3.781 8.083 -0.545 1.00 1.18 N ATOM 1293 CA CYS A 80 -4.273 9.176 0.306 1.00 1.45 C ATOM 1294 C CYS A 80 -4.768 10.362 -0.537 1.00 1.48 C ATOM 1295 O CYS A 80 -5.890 10.824 -0.355 1.00 1.58 O ATOM 1296 CB CYS A 80 -3.160 9.580 1.285 1.00 1.90 C ATOM 1297 SG CYS A 80 -3.800 10.815 2.457 1.00 2.44 S ATOM 0 H CYS A 80 -2.832 7.783 -0.323 1.00 1.18 H new ATOM 0 HA CYS A 80 -5.135 8.836 0.879 1.00 1.45 H new ATOM 0 HB2 CYS A 80 -2.800 8.704 1.824 1.00 1.90 H new ATOM 0 HB3 CYS A 80 -2.311 9.989 0.738 1.00 1.90 H new ATOM 0 HG CYS A 80 -3.012 11.849 2.471 1.00 2.44 H new ATOM 1303 N MET A 81 -3.987 10.790 -1.538 1.00 1.52 N ATOM 1304 CA MET A 81 -4.372 11.883 -2.449 1.00 1.73 C ATOM 1305 C MET A 81 -5.436 11.500 -3.493 1.00 1.65 C ATOM 1306 O MET A 81 -5.839 12.349 -4.280 1.00 2.08 O ATOM 1307 CB MET A 81 -3.141 12.587 -3.031 1.00 1.92 C ATOM 1308 CG MET A 81 -2.160 11.730 -3.840 1.00 2.66 C ATOM 1309 SD MET A 81 -0.752 12.600 -4.608 1.00 3.63 S ATOM 1310 CE MET A 81 -0.894 14.283 -3.927 1.00 3.83 C ATOM 0 H MET A 81 -3.071 10.390 -1.741 1.00 1.52 H new ATOM 0 HA MET A 81 -4.890 12.621 -1.837 1.00 1.73 H new ATOM 0 HB2 MET A 81 -3.487 13.399 -3.671 1.00 1.92 H new ATOM 0 HB3 MET A 81 -2.592 13.043 -2.207 1.00 1.92 H new ATOM 0 HG2 MET A 81 -1.764 10.955 -3.184 1.00 2.66 H new ATOM 0 HG3 MET A 81 -2.719 11.225 -4.628 1.00 2.66 H new ATOM 0 HE1 MET A 81 -0.051 14.885 -4.266 1.00 3.83 H new ATOM 0 HE2 MET A 81 -1.824 14.736 -4.269 1.00 3.83 H new ATOM 0 HE3 MET A 81 -0.892 14.236 -2.838 1.00 3.83 H new ATOM 1320 N ALA A 82 -5.941 10.258 -3.464 1.00 1.27 N ATOM 1321 CA ALA A 82 -7.121 9.829 -4.221 1.00 1.29 C ATOM 1322 C ALA A 82 -8.444 9.972 -3.424 1.00 1.22 C ATOM 1323 O ALA A 82 -9.498 9.524 -3.875 1.00 1.47 O ATOM 1324 CB ALA A 82 -6.892 8.395 -4.710 1.00 1.21 C ATOM 0 H ALA A 82 -5.531 9.511 -2.903 1.00 1.27 H new ATOM 0 HA ALA A 82 -7.243 10.493 -5.077 1.00 1.29 H new ATOM 0 HB1 ALA A 82 -7.762 8.060 -5.276 1.00 1.21 H new ATOM 0 HB2 ALA A 82 -6.010 8.365 -5.349 1.00 1.21 H new ATOM 0 HB3 ALA A 82 -6.742 7.738 -3.853 1.00 1.21 H new ATOM 1330 N TYR A 83 -8.402 10.568 -2.227 1.00 1.15 N ATOM 1331 CA TYR A 83 -9.581 10.907 -1.404 1.00 1.21 C ATOM 1332 C TYR A 83 -9.379 12.066 -0.407 1.00 1.55 C ATOM 1333 O TYR A 83 -10.357 12.613 0.103 1.00 2.24 O ATOM 1334 CB TYR A 83 -10.098 9.663 -0.665 1.00 1.21 C ATOM 1335 CG TYR A 83 -9.090 8.856 0.134 1.00 1.35 C ATOM 1336 CD1 TYR A 83 -8.387 7.814 -0.497 1.00 1.70 C ATOM 1337 CD2 TYR A 83 -8.927 9.060 1.517 1.00 2.61 C ATOM 1338 CE1 TYR A 83 -7.618 6.914 0.247 1.00 1.80 C ATOM 1339 CE2 TYR A 83 -8.078 8.215 2.260 1.00 2.86 C ATOM 1340 CZ TYR A 83 -7.433 7.124 1.629 1.00 1.87 C ATOM 1341 OH TYR A 83 -6.623 6.290 2.337 1.00 2.22 O ATOM 0 H TYR A 83 -7.523 10.838 -1.786 1.00 1.15 H new ATOM 0 HA TYR A 83 -10.322 11.267 -2.118 1.00 1.21 H new ATOM 0 HB2 TYR A 83 -10.890 9.979 0.014 1.00 1.21 H new ATOM 0 HB3 TYR A 83 -10.554 9.000 -1.400 1.00 1.21 H new ATOM 0 HD1 TYR A 83 -8.442 7.708 -1.570 1.00 1.70 H new ATOM 0 HD2 TYR A 83 -9.453 9.865 2.009 1.00 2.61 H new ATOM 0 HE1 TYR A 83 -7.167 6.060 -0.236 1.00 1.80 H new ATOM 0 HE2 TYR A 83 -7.919 8.400 3.312 1.00 2.86 H new ATOM 0 HH TYR A 83 -6.602 6.573 3.275 1.00 2.22 H new ATOM 1351 N ASN A 84 -8.137 12.460 -0.123 1.00 1.47 N ATOM 1352 CA ASN A 84 -7.826 13.606 0.718 1.00 1.98 C ATOM 1353 C ASN A 84 -8.227 14.922 0.032 1.00 2.43 C ATOM 1354 O ASN A 84 -7.675 15.295 -1.000 1.00 3.73 O ATOM 1355 CB ASN A 84 -6.343 13.571 1.104 1.00 2.22 C ATOM 1356 CG ASN A 84 -5.957 14.635 2.123 1.00 3.26 C ATOM 1357 OD1 ASN A 84 -6.644 15.620 2.354 1.00 4.55 O ATOM 1358 ND2 ASN A 84 -4.830 14.448 2.782 1.00 3.42 N ATOM 0 H ASN A 84 -7.309 11.981 -0.479 1.00 1.47 H new ATOM 0 HA ASN A 84 -8.412 13.552 1.636 1.00 1.98 H new ATOM 0 HB2 ASN A 84 -6.104 12.588 1.509 1.00 2.22 H new ATOM 0 HB3 ASN A 84 -5.739 13.702 0.206 1.00 2.22 H new ATOM 0 HD21 ASN A 84 -4.532 15.125 3.484 1.00 3.42 H new ATOM 0 HD22 ASN A 84 -4.257 13.626 2.589 1.00 3.42 H new ATOM 1365 N ASP A 85 -9.205 15.574 0.659 1.00 1.99 N ATOM 1366 CA ASP A 85 -9.876 16.841 0.330 1.00 2.24 C ATOM 1367 C ASP A 85 -10.966 17.103 1.385 1.00 2.39 C ATOM 1368 O ASP A 85 -11.106 18.215 1.889 1.00 2.37 O ATOM 1369 CB ASP A 85 -10.476 16.816 -1.086 1.00 3.01 C ATOM 1370 CG ASP A 85 -10.873 18.209 -1.564 1.00 4.60 C ATOM 1371 OD1 ASP A 85 -10.076 19.158 -1.391 1.00 5.78 O ATOM 1372 OD2 ASP A 85 -11.954 18.367 -2.171 1.00 5.53 O ATOM 0 H ASP A 85 -9.597 15.182 1.515 1.00 1.99 H new ATOM 0 HA ASP A 85 -9.144 17.648 0.343 1.00 2.24 H new ATOM 0 HB2 ASP A 85 -9.752 16.388 -1.779 1.00 3.01 H new ATOM 0 HB3 ASP A 85 -11.351 16.166 -1.097 1.00 3.01 H new ATOM 1377 N PHE A 86 -11.596 16.025 1.875 1.00 2.82 N ATOM 1378 CA PHE A 86 -12.360 15.974 3.129 1.00 3.28 C ATOM 1379 C PHE A 86 -11.496 16.139 4.407 1.00 2.96 C ATOM 1380 O PHE A 86 -11.941 15.808 5.501 1.00 3.53 O ATOM 1381 CB PHE A 86 -13.183 14.674 3.141 1.00 4.23 C ATOM 1382 CG PHE A 86 -14.184 14.575 2.004 1.00 5.32 C ATOM 1383 CD1 PHE A 86 -15.377 15.324 2.061 1.00 6.35 C ATOM 1384 CD2 PHE A 86 -13.923 13.765 0.883 1.00 6.16 C ATOM 1385 CE1 PHE A 86 -16.305 15.258 1.008 1.00 7.55 C ATOM 1386 CE2 PHE A 86 -14.851 13.704 -0.172 1.00 7.47 C ATOM 1387 CZ PHE A 86 -16.044 14.448 -0.109 1.00 7.93 C ATOM 0 H PHE A 86 -11.586 15.129 1.388 1.00 2.82 H new ATOM 0 HA PHE A 86 -13.025 16.837 3.156 1.00 3.28 H new ATOM 0 HB2 PHE A 86 -12.503 13.824 3.090 1.00 4.23 H new ATOM 0 HB3 PHE A 86 -13.715 14.600 4.089 1.00 4.23 H new ATOM 0 HD1 PHE A 86 -15.578 15.951 2.917 1.00 6.35 H new ATOM 0 HD2 PHE A 86 -13.010 13.190 0.833 1.00 6.16 H new ATOM 0 HE1 PHE A 86 -17.219 15.830 1.058 1.00 7.55 H new ATOM 0 HE2 PHE A 86 -14.648 13.084 -1.033 1.00 7.47 H new ATOM 0 HZ PHE A 86 -16.757 14.396 -0.918 1.00 7.93 H new ATOM 1397 N PHE A 87 -10.257 16.634 4.261 1.00 2.43 N ATOM 1398 CA PHE A 87 -9.386 17.129 5.334 1.00 2.53 C ATOM 1399 C PHE A 87 -8.929 18.583 5.078 1.00 2.24 C ATOM 1400 O PHE A 87 -8.130 19.114 5.846 1.00 2.65 O ATOM 1401 CB PHE A 87 -8.148 16.221 5.466 1.00 2.61 C ATOM 1402 CG PHE A 87 -8.418 14.744 5.676 1.00 3.10 C ATOM 1403 CD1 PHE A 87 -8.672 13.911 4.572 1.00 3.95 C ATOM 1404 CD2 PHE A 87 -8.375 14.189 6.970 1.00 3.47 C ATOM 1405 CE1 PHE A 87 -8.891 12.535 4.748 1.00 4.59 C ATOM 1406 CE2 PHE A 87 -8.593 12.809 7.152 1.00 4.07 C ATOM 1407 CZ PHE A 87 -8.851 11.984 6.043 1.00 4.42 C ATOM 0 H PHE A 87 -9.815 16.702 3.344 1.00 2.43 H new ATOM 0 HA PHE A 87 -9.963 17.113 6.259 1.00 2.53 H new ATOM 0 HB2 PHE A 87 -7.543 16.334 4.566 1.00 2.61 H new ATOM 0 HB3 PHE A 87 -7.547 16.581 6.301 1.00 2.61 H new ATOM 0 HD1 PHE A 87 -8.699 14.334 3.579 1.00 3.95 H new ATOM 0 HD2 PHE A 87 -8.175 14.821 7.822 1.00 3.47 H new ATOM 0 HE1 PHE A 87 -9.089 11.903 3.895 1.00 4.59 H new ATOM 0 HE2 PHE A 87 -8.562 12.384 8.145 1.00 4.07 H new ATOM 0 HZ PHE A 87 -9.019 10.927 6.185 1.00 4.42 H new ATOM 1417 N LEU A 88 -9.381 19.217 3.985 1.00 1.85 N ATOM 1418 CA LEU A 88 -9.042 20.597 3.623 1.00 1.85 C ATOM 1419 C LEU A 88 -10.096 21.590 4.073 1.00 2.30 C ATOM 1420 O LEU A 88 -9.824 22.483 4.873 1.00 2.98 O ATOM 1421 CB LEU A 88 -8.756 20.703 2.106 1.00 1.69 C ATOM 1422 CG LEU A 88 -7.308 20.374 1.722 1.00 2.05 C ATOM 1423 CD1 LEU A 88 -7.141 20.455 0.205 1.00 2.34 C ATOM 1424 CD2 LEU A 88 -6.281 21.310 2.377 1.00 3.34 C ATOM 0 H LEU A 88 -10.007 18.771 3.314 1.00 1.85 H new ATOM 0 HA LEU A 88 -8.132 20.864 4.159 1.00 1.85 H new ATOM 0 HB2 LEU A 88 -9.425 20.028 1.572 1.00 1.69 H new ATOM 0 HB3 LEU A 88 -8.989 21.714 1.772 1.00 1.69 H new ATOM 0 HG LEU A 88 -7.117 19.364 2.086 1.00 2.05 H new ATOM 0 HD11 LEU A 88 -6.110 20.220 -0.061 1.00 2.34 H new ATOM 0 HD12 LEU A 88 -7.811 19.740 -0.273 1.00 2.34 H new ATOM 0 HD13 LEU A 88 -7.383 21.462 -0.134 1.00 2.34 H new ATOM 0 HD21 LEU A 88 -5.277 21.024 2.065 1.00 3.34 H new ATOM 0 HD22 LEU A 88 -6.477 22.337 2.070 1.00 3.34 H new ATOM 0 HD23 LEU A 88 -6.359 21.234 3.462 1.00 3.34 H new ATOM 1436 N GLU A 89 -11.248 21.440 3.451 1.00 2.70 N ATOM 1437 CA GLU A 89 -12.470 22.266 3.590 1.00 3.36 C ATOM 1438 C GLU A 89 -12.289 23.696 3.017 1.00 3.06 C ATOM 1439 O GLU A 89 -13.188 24.525 3.070 1.00 3.55 O ATOM 1440 CB GLU A 89 -12.913 22.277 5.071 1.00 5.06 C ATOM 1441 CG GLU A 89 -14.434 22.392 5.270 1.00 6.52 C ATOM 1442 CD GLU A 89 -14.872 22.133 6.721 1.00 8.09 C ATOM 1443 OE1 GLU A 89 -14.586 21.018 7.219 1.00 8.83 O ATOM 1444 OE2 GLU A 89 -15.525 23.027 7.306 1.00 9.00 O ATOM 0 H GLU A 89 -11.383 20.684 2.779 1.00 2.70 H new ATOM 0 HA GLU A 89 -13.262 21.817 2.991 1.00 3.36 H new ATOM 0 HB2 GLU A 89 -12.563 21.363 5.551 1.00 5.06 H new ATOM 0 HB3 GLU A 89 -12.427 23.110 5.578 1.00 5.06 H new ATOM 0 HG2 GLU A 89 -14.760 23.388 4.970 1.00 6.52 H new ATOM 0 HG3 GLU A 89 -14.935 21.682 4.613 1.00 6.52 H new ATOM 1451 N ASP A 90 -11.099 23.969 2.472 1.00 3.17 N ATOM 1452 CA ASP A 90 -10.515 25.271 2.130 1.00 4.52 C ATOM 1453 C ASP A 90 -9.135 25.014 1.493 1.00 5.02 C ATOM 1454 O ASP A 90 -8.435 24.103 1.941 1.00 5.63 O ATOM 1455 CB ASP A 90 -10.467 26.159 3.394 1.00 5.80 C ATOM 1456 CG ASP A 90 -9.312 27.165 3.455 1.00 7.59 C ATOM 1457 OD1 ASP A 90 -9.097 27.908 2.475 1.00 8.00 O ATOM 1458 OD2 ASP A 90 -8.608 27.145 4.495 1.00 8.90 O ATOM 0 H ASP A 90 -10.459 23.211 2.236 1.00 3.17 H new ATOM 0 HA ASP A 90 -11.117 25.817 1.404 1.00 4.52 H new ATOM 0 HB2 ASP A 90 -11.406 26.707 3.467 1.00 5.80 H new ATOM 0 HB3 ASP A 90 -10.407 25.511 4.269 1.00 5.80 H new ATOM 1463 N ASN A 91 -8.801 25.787 0.449 1.00 5.37 N ATOM 1464 CA ASN A 91 -7.665 25.725 -0.505 1.00 6.11 C ATOM 1465 C ASN A 91 -8.180 25.675 -1.966 1.00 5.30 C ATOM 1466 O ASN A 91 -7.560 26.235 -2.869 1.00 6.06 O ATOM 1467 CB ASN A 91 -6.713 24.542 -0.230 1.00 6.97 C ATOM 1468 CG ASN A 91 -5.551 24.424 -1.207 1.00 8.13 C ATOM 1469 OD1 ASN A 91 -4.789 25.352 -1.417 1.00 9.49 O ATOM 1470 ND2 ASN A 91 -5.359 23.265 -1.811 1.00 8.11 N ATOM 0 H ASN A 91 -9.399 26.580 0.217 1.00 5.37 H new ATOM 0 HA ASN A 91 -7.086 26.637 -0.358 1.00 6.11 H new ATOM 0 HB2 ASN A 91 -6.313 24.641 0.779 1.00 6.97 H new ATOM 0 HB3 ASN A 91 -7.288 23.616 -0.256 1.00 6.97 H new ATOM 0 HD21 ASN A 91 -4.574 23.148 -2.452 1.00 8.11 H new ATOM 0 HD22 ASN A 91 -5.996 22.487 -1.637 1.00 8.11 H new ATOM 1477 N LYS A 92 -9.328 25.015 -2.171 1.00 4.54 N ATOM 1478 CA LYS A 92 -10.046 24.766 -3.437 1.00 5.19 C ATOM 1479 C LYS A 92 -11.341 23.992 -3.179 1.00 6.22 C ATOM 1480 O LYS A 92 -12.080 23.774 -4.156 1.00 7.26 O ATOM 1481 CB LYS A 92 -9.153 24.085 -4.504 1.00 5.34 C ATOM 1482 CG LYS A 92 -8.334 22.841 -4.090 1.00 5.22 C ATOM 1483 CD LYS A 92 -9.065 21.737 -3.308 1.00 5.44 C ATOM 1484 CE LYS A 92 -10.312 21.203 -4.031 1.00 6.40 C ATOM 1485 NZ LYS A 92 -11.397 20.936 -3.064 1.00 6.71 N ATOM 1486 OXT LYS A 92 -11.496 23.476 -2.048 1.00 6.64 O ATOM 0 H LYS A 92 -9.827 24.602 -1.384 1.00 4.54 H new ATOM 0 HA LYS A 92 -10.316 25.735 -3.858 1.00 5.19 H new ATOM 0 HB2 LYS A 92 -9.793 23.799 -5.339 1.00 5.34 H new ATOM 0 HB3 LYS A 92 -8.454 24.833 -4.879 1.00 5.34 H new ATOM 0 HG2 LYS A 92 -7.920 22.395 -4.994 1.00 5.22 H new ATOM 0 HG3 LYS A 92 -7.491 23.179 -3.487 1.00 5.22 H new ATOM 0 HD2 LYS A 92 -8.376 20.911 -3.129 1.00 5.44 H new ATOM 0 HD3 LYS A 92 -9.358 22.125 -2.333 1.00 5.44 H new ATOM 0 HE2 LYS A 92 -10.648 21.928 -4.772 1.00 6.40 H new ATOM 0 HE3 LYS A 92 -10.064 20.288 -4.569 1.00 6.40 H new ATOM 0 HZ1 LYS A 92 -12.290 20.790 -3.576 1.00 6.71 H new ATOM 0 HZ2 LYS A 92 -11.170 20.083 -2.514 1.00 6.71 H new ATOM 0 HZ3 LYS A 92 -11.496 21.747 -2.420 1.00 6.71 H new TER 1500 LYS A 92 ATOM 1501 N MET B 1 -12.064 2.385 9.477 1.00 3.86 N ATOM 1502 CA MET B 1 -11.403 2.821 10.739 1.00 3.68 C ATOM 1503 C MET B 1 -10.880 1.665 11.588 1.00 2.90 C ATOM 1504 O MET B 1 -10.126 1.869 12.543 1.00 3.82 O ATOM 1505 CB MET B 1 -12.335 3.556 11.675 1.00 5.00 C ATOM 1506 CG MET B 1 -13.131 4.708 11.047 1.00 5.91 C ATOM 1507 SD MET B 1 -14.238 5.545 12.211 1.00 7.25 S ATOM 1508 CE MET B 1 -15.662 4.422 12.122 1.00 7.86 C ATOM 0 H1 MET B 1 -12.135 3.192 8.825 1.00 3.86 H new ATOM 0 H2 MET B 1 -11.502 1.630 9.034 1.00 3.86 H new ATOM 0 H3 MET B 1 -13.017 2.028 9.690 1.00 3.86 H new ATOM 0 HA MET B 1 -10.596 3.454 10.370 1.00 3.68 H new ATOM 0 HB2 MET B 1 -13.039 2.838 12.096 1.00 5.00 H new ATOM 0 HB3 MET B 1 -11.750 3.952 12.505 1.00 5.00 H new ATOM 0 HG2 MET B 1 -12.434 5.437 10.634 1.00 5.91 H new ATOM 0 HG3 MET B 1 -13.718 4.321 10.214 1.00 5.91 H new ATOM 0 HE1 MET B 1 -16.451 4.782 12.782 1.00 7.86 H new ATOM 0 HE2 MET B 1 -16.033 4.386 11.098 1.00 7.86 H new ATOM 0 HE3 MET B 1 -15.357 3.423 12.433 1.00 7.86 H new ATOM 1517 N GLU B 2 -11.366 0.457 11.335 1.00 2.01 N ATOM 1518 CA GLU B 2 -11.367 -0.705 12.211 1.00 2.22 C ATOM 1519 C GLU B 2 -10.013 -1.400 12.177 1.00 2.07 C ATOM 1520 O GLU B 2 -9.626 -2.081 13.129 1.00 2.66 O ATOM 1521 CB GLU B 2 -12.438 -1.685 11.695 1.00 2.83 C ATOM 1522 CG GLU B 2 -13.839 -1.065 11.558 1.00 3.52 C ATOM 1523 CD GLU B 2 -13.944 0.019 10.480 1.00 3.95 C ATOM 1524 OE1 GLU B 2 -13.321 -0.135 9.412 1.00 4.47 O ATOM 1525 OE2 GLU B 2 -14.263 1.171 10.831 1.00 4.41 O ATOM 0 H GLU B 2 -11.805 0.249 10.438 1.00 2.01 H new ATOM 0 HA GLU B 2 -11.575 -0.391 13.234 1.00 2.22 H new ATOM 0 HB2 GLU B 2 -12.126 -2.070 10.724 1.00 2.83 H new ATOM 0 HB3 GLU B 2 -12.493 -2.537 12.373 1.00 2.83 H new ATOM 0 HG2 GLU B 2 -14.554 -1.856 11.332 1.00 3.52 H new ATOM 0 HG3 GLU B 2 -14.130 -0.637 12.517 1.00 3.52 H new ATOM 1532 N THR B 3 -9.276 -1.167 11.090 1.00 1.61 N ATOM 1533 CA THR B 3 -8.137 -2.037 10.695 1.00 1.50 C ATOM 1534 C THR B 3 -6.802 -1.595 11.321 1.00 1.53 C ATOM 1535 O THR B 3 -6.718 -0.457 11.790 1.00 1.75 O ATOM 1536 CB THR B 3 -8.052 -2.349 9.182 1.00 1.56 C ATOM 1537 OG1 THR B 3 -6.877 -1.816 8.615 1.00 1.76 O ATOM 1538 CG2 THR B 3 -9.266 -1.932 8.348 1.00 1.84 C ATOM 0 H THR B 3 -9.438 -0.384 10.457 1.00 1.61 H new ATOM 0 HA THR B 3 -8.363 -3.007 11.137 1.00 1.50 H new ATOM 0 HB THR B 3 -8.034 -3.438 9.143 1.00 1.56 H new ATOM 0 HG1 THR B 3 -6.572 -2.397 7.887 1.00 1.76 H new ATOM 0 HG21 THR B 3 -9.099 -2.198 7.304 1.00 1.84 H new ATOM 0 HG22 THR B 3 -10.154 -2.446 8.716 1.00 1.84 H new ATOM 0 HG23 THR B 3 -9.411 -0.855 8.429 1.00 1.84 H new ATOM 1546 N PRO B 4 -5.780 -2.474 11.428 1.00 1.47 N ATOM 1547 CA PRO B 4 -4.562 -2.181 12.183 1.00 1.57 C ATOM 1548 C PRO B 4 -3.568 -1.311 11.404 1.00 1.56 C ATOM 1549 O PRO B 4 -3.059 -0.341 11.960 1.00 1.63 O ATOM 1550 CB PRO B 4 -3.966 -3.549 12.528 1.00 1.69 C ATOM 1551 CG PRO B 4 -4.426 -4.448 11.381 1.00 1.59 C ATOM 1552 CD PRO B 4 -5.795 -3.875 11.016 1.00 1.44 C ATOM 0 HA PRO B 4 -4.790 -1.595 13.073 1.00 1.57 H new ATOM 0 HB2 PRO B 4 -2.879 -3.507 12.592 1.00 1.69 H new ATOM 0 HB3 PRO B 4 -4.328 -3.912 13.490 1.00 1.69 H new ATOM 0 HG2 PRO B 4 -3.736 -4.410 10.538 1.00 1.59 H new ATOM 0 HG3 PRO B 4 -4.495 -5.491 11.690 1.00 1.59 H new ATOM 0 HD2 PRO B 4 -5.980 -3.963 9.945 1.00 1.44 H new ATOM 0 HD3 PRO B 4 -6.592 -4.420 11.523 1.00 1.44 H new ATOM 1560 N LEU B 5 -3.301 -1.617 10.128 1.00 1.53 N ATOM 1561 CA LEU B 5 -2.414 -0.809 9.280 1.00 1.50 C ATOM 1562 C LEU B 5 -3.097 0.512 8.886 1.00 1.20 C ATOM 1563 O LEU B 5 -2.436 1.545 8.866 1.00 1.21 O ATOM 1564 CB LEU B 5 -1.876 -1.690 8.133 1.00 1.77 C ATOM 1565 CG LEU B 5 -1.111 -0.985 6.989 1.00 1.59 C ATOM 1566 CD1 LEU B 5 0.080 -0.146 7.472 1.00 2.30 C ATOM 1567 CD2 LEU B 5 -0.520 -2.024 6.028 1.00 2.25 C ATOM 0 H LEU B 5 -3.693 -2.431 9.654 1.00 1.53 H new ATOM 0 HA LEU B 5 -1.526 -0.476 9.817 1.00 1.50 H new ATOM 0 HB2 LEU B 5 -1.215 -2.440 8.567 1.00 1.77 H new ATOM 0 HB3 LEU B 5 -2.719 -2.223 7.695 1.00 1.77 H new ATOM 0 HG LEU B 5 -1.848 -0.336 6.516 1.00 1.59 H new ATOM 0 HD11 LEU B 5 0.569 0.319 6.616 1.00 2.30 H new ATOM 0 HD12 LEU B 5 -0.273 0.629 8.153 1.00 2.30 H new ATOM 0 HD13 LEU B 5 0.791 -0.789 7.991 1.00 2.30 H new ATOM 0 HD21 LEU B 5 0.016 -1.515 5.227 1.00 2.25 H new ATOM 0 HD22 LEU B 5 0.168 -2.672 6.571 1.00 2.25 H new ATOM 0 HD23 LEU B 5 -1.324 -2.625 5.602 1.00 2.25 H new ATOM 1579 N GLU B 6 -4.430 0.550 8.800 1.00 1.15 N ATOM 1580 CA GLU B 6 -5.174 1.809 8.826 1.00 1.17 C ATOM 1581 C GLU B 6 -4.841 2.684 10.060 1.00 1.20 C ATOM 1582 O GLU B 6 -4.729 3.907 9.922 1.00 1.25 O ATOM 1583 CB GLU B 6 -6.664 1.483 8.785 1.00 1.31 C ATOM 1584 CG GLU B 6 -7.530 2.707 8.482 1.00 1.22 C ATOM 1585 CD GLU B 6 -9.011 2.381 8.612 1.00 2.90 C ATOM 1586 OE1 GLU B 6 -9.362 1.425 9.341 1.00 4.39 O ATOM 1587 OE2 GLU B 6 -9.854 3.163 8.125 1.00 3.49 O ATOM 0 H GLU B 6 -5.016 -0.280 8.712 1.00 1.15 H new ATOM 0 HA GLU B 6 -4.882 2.398 7.957 1.00 1.17 H new ATOM 0 HB2 GLU B 6 -6.844 0.720 8.028 1.00 1.31 H new ATOM 0 HB3 GLU B 6 -6.965 1.059 9.743 1.00 1.31 H new ATOM 0 HG2 GLU B 6 -7.272 3.516 9.165 1.00 1.22 H new ATOM 0 HG3 GLU B 6 -7.321 3.063 7.473 1.00 1.22 H new ATOM 1594 N LYS B 7 -4.599 2.120 11.258 1.00 1.24 N ATOM 1595 CA LYS B 7 -4.161 2.948 12.404 1.00 1.29 C ATOM 1596 C LYS B 7 -2.769 3.546 12.184 1.00 1.27 C ATOM 1597 O LYS B 7 -2.492 4.657 12.640 1.00 1.33 O ATOM 1598 CB LYS B 7 -4.128 2.189 13.748 1.00 1.44 C ATOM 1599 CG LYS B 7 -5.368 1.410 14.141 1.00 1.58 C ATOM 1600 CD LYS B 7 -6.647 2.235 13.993 1.00 2.28 C ATOM 1601 CE LYS B 7 -7.746 1.490 14.746 1.00 3.38 C ATOM 1602 NZ LYS B 7 -8.277 0.380 13.927 1.00 4.24 N ATOM 0 H LYS B 7 -4.695 1.124 11.458 1.00 1.24 H new ATOM 0 HA LYS B 7 -4.915 3.733 12.460 1.00 1.29 H new ATOM 0 HB2 LYS B 7 -3.288 1.494 13.722 1.00 1.44 H new ATOM 0 HB3 LYS B 7 -3.920 2.911 14.537 1.00 1.44 H new ATOM 0 HG2 LYS B 7 -5.443 0.515 13.523 1.00 1.58 H new ATOM 0 HG3 LYS B 7 -5.272 1.076 15.174 1.00 1.58 H new ATOM 0 HD2 LYS B 7 -6.510 3.236 14.401 1.00 2.28 H new ATOM 0 HD3 LYS B 7 -6.911 2.353 12.942 1.00 2.28 H new ATOM 0 HE2 LYS B 7 -7.351 1.100 15.684 1.00 3.38 H new ATOM 0 HE3 LYS B 7 -8.551 2.179 15.000 1.00 3.38 H new ATOM 0 HZ1 LYS B 7 -8.666 -0.356 14.550 1.00 4.24 H new ATOM 0 HZ2 LYS B 7 -9.028 0.738 13.303 1.00 4.24 H new ATOM 0 HZ3 LYS B 7 -7.511 -0.024 13.351 1.00 4.24 H new ATOM 1616 N ALA B 8 -1.888 2.820 11.496 1.00 1.34 N ATOM 1617 CA ALA B 8 -0.539 3.255 11.164 1.00 1.36 C ATOM 1618 C ALA B 8 -0.534 4.325 10.069 1.00 1.02 C ATOM 1619 O ALA B 8 0.127 5.345 10.242 1.00 0.83 O ATOM 1620 CB ALA B 8 0.268 2.014 10.795 1.00 1.79 C ATOM 0 H ALA B 8 -2.103 1.886 11.146 1.00 1.34 H new ATOM 0 HA ALA B 8 -0.075 3.741 12.022 1.00 1.36 H new ATOM 0 HB1 ALA B 8 1.287 2.305 10.540 1.00 1.79 H new ATOM 0 HB2 ALA B 8 0.288 1.328 11.642 1.00 1.79 H new ATOM 0 HB3 ALA B 8 -0.193 1.521 9.939 1.00 1.79 H new ATOM 1626 N LEU B 9 -1.329 4.175 9.000 1.00 1.04 N ATOM 1627 CA LEU B 9 -1.551 5.257 8.037 1.00 0.95 C ATOM 1628 C LEU B 9 -2.138 6.486 8.740 1.00 0.74 C ATOM 1629 O LEU B 9 -1.586 7.581 8.581 1.00 0.72 O ATOM 1630 CB LEU B 9 -2.441 4.787 6.867 1.00 1.07 C ATOM 1631 CG LEU B 9 -1.720 4.107 5.681 1.00 1.16 C ATOM 1632 CD1 LEU B 9 -0.653 5.014 5.046 1.00 1.20 C ATOM 1633 CD2 LEU B 9 -1.094 2.762 6.056 1.00 1.25 C ATOM 0 H LEU B 9 -1.829 3.313 8.782 1.00 1.04 H new ATOM 0 HA LEU B 9 -0.589 5.544 7.611 1.00 0.95 H new ATOM 0 HB2 LEU B 9 -3.182 4.091 7.260 1.00 1.07 H new ATOM 0 HB3 LEU B 9 -2.986 5.650 6.485 1.00 1.07 H new ATOM 0 HG LEU B 9 -2.502 3.922 4.945 1.00 1.16 H new ATOM 0 HD11 LEU B 9 -0.176 4.490 4.218 1.00 1.20 H new ATOM 0 HD12 LEU B 9 -1.123 5.925 4.676 1.00 1.20 H new ATOM 0 HD13 LEU B 9 0.098 5.271 5.793 1.00 1.20 H new ATOM 0 HD21 LEU B 9 -0.603 2.333 5.183 1.00 1.25 H new ATOM 0 HD22 LEU B 9 -0.361 2.910 6.849 1.00 1.25 H new ATOM 0 HD23 LEU B 9 -1.872 2.083 6.404 1.00 1.25 H new ATOM 1645 N THR B 10 -3.154 6.304 9.600 1.00 0.69 N ATOM 1646 CA THR B 10 -3.731 7.379 10.426 1.00 0.56 C ATOM 1647 C THR B 10 -2.669 8.068 11.273 1.00 0.52 C ATOM 1648 O THR B 10 -2.599 9.292 11.266 1.00 0.51 O ATOM 1649 CB THR B 10 -4.866 6.853 11.303 1.00 0.69 C ATOM 1650 OG1 THR B 10 -5.848 6.315 10.457 1.00 0.95 O ATOM 1651 CG2 THR B 10 -5.527 7.968 12.113 1.00 1.18 C ATOM 0 H THR B 10 -3.602 5.399 9.743 1.00 0.69 H new ATOM 0 HA THR B 10 -4.145 8.122 9.745 1.00 0.56 H new ATOM 0 HB THR B 10 -4.451 6.117 11.992 1.00 0.69 H new ATOM 0 HG1 THR B 10 -5.650 5.371 10.285 1.00 0.95 H new ATOM 0 HG21 THR B 10 -6.328 7.549 12.722 1.00 1.18 H new ATOM 0 HG22 THR B 10 -4.786 8.436 12.761 1.00 1.18 H new ATOM 0 HG23 THR B 10 -5.939 8.715 11.435 1.00 1.18 H new ATOM 1659 N THR B 11 -1.807 7.307 11.956 1.00 0.60 N ATOM 1660 CA THR B 11 -0.746 7.825 12.840 1.00 0.64 C ATOM 1661 C THR B 11 0.283 8.628 12.054 1.00 0.66 C ATOM 1662 O THR B 11 0.660 9.710 12.499 1.00 0.67 O ATOM 1663 CB THR B 11 -0.100 6.679 13.619 1.00 0.88 C ATOM 1664 OG1 THR B 11 -1.084 6.151 14.469 1.00 1.14 O ATOM 1665 CG2 THR B 11 1.067 7.105 14.507 1.00 0.86 C ATOM 0 H THR B 11 -1.825 6.288 11.911 1.00 0.60 H new ATOM 0 HA THR B 11 -1.196 8.508 13.561 1.00 0.64 H new ATOM 0 HB THR B 11 0.289 5.973 12.885 1.00 0.88 H new ATOM 0 HG1 THR B 11 -1.650 5.528 13.967 1.00 1.14 H new ATOM 0 HG21 THR B 11 1.468 6.233 15.024 1.00 0.86 H new ATOM 0 HG22 THR B 11 1.848 7.553 13.892 1.00 0.86 H new ATOM 0 HG23 THR B 11 0.720 7.833 15.240 1.00 0.86 H new ATOM 1673 N MET B 12 0.674 8.165 10.864 1.00 0.74 N ATOM 1674 CA MET B 12 1.547 8.889 9.945 1.00 0.82 C ATOM 1675 C MET B 12 0.910 10.206 9.484 1.00 0.79 C ATOM 1676 O MET B 12 1.497 11.262 9.711 1.00 0.87 O ATOM 1677 CB MET B 12 1.906 7.937 8.794 1.00 1.05 C ATOM 1678 CG MET B 12 2.896 8.556 7.828 1.00 1.28 C ATOM 1679 SD MET B 12 3.339 7.527 6.400 1.00 1.34 S ATOM 1680 CE MET B 12 4.133 6.127 7.225 1.00 0.90 C ATOM 0 H MET B 12 0.384 7.255 10.507 1.00 0.74 H new ATOM 0 HA MET B 12 2.468 9.193 10.442 1.00 0.82 H new ATOM 0 HB2 MET B 12 2.326 7.018 9.202 1.00 1.05 H new ATOM 0 HB3 MET B 12 0.999 7.662 8.256 1.00 1.05 H new ATOM 0 HG2 MET B 12 2.482 9.496 7.463 1.00 1.28 H new ATOM 0 HG3 MET B 12 3.807 8.800 8.375 1.00 1.28 H new ATOM 0 HE1 MET B 12 4.952 5.758 6.608 1.00 0.90 H new ATOM 0 HE2 MET B 12 4.523 6.447 8.191 1.00 0.90 H new ATOM 0 HE3 MET B 12 3.403 5.331 7.374 1.00 0.90 H new ATOM 1690 N VAL B 13 -0.309 10.191 8.921 1.00 0.76 N ATOM 1691 CA VAL B 13 -0.966 11.442 8.472 1.00 0.83 C ATOM 1692 C VAL B 13 -1.210 12.426 9.634 1.00 0.78 C ATOM 1693 O VAL B 13 -1.096 13.636 9.439 1.00 0.89 O ATOM 1694 CB VAL B 13 -2.263 11.236 7.646 1.00 0.87 C ATOM 1695 CG1 VAL B 13 -1.979 10.407 6.381 1.00 1.01 C ATOM 1696 CG2 VAL B 13 -3.422 10.604 8.420 1.00 0.74 C ATOM 0 H VAL B 13 -0.857 9.345 8.765 1.00 0.76 H new ATOM 0 HA VAL B 13 -0.244 11.885 7.786 1.00 0.83 H new ATOM 0 HB VAL B 13 -2.586 12.242 7.380 1.00 0.87 H new ATOM 0 HG11 VAL B 13 -2.903 10.275 5.817 1.00 1.01 H new ATOM 0 HG12 VAL B 13 -1.247 10.926 5.762 1.00 1.01 H new ATOM 0 HG13 VAL B 13 -1.586 9.431 6.666 1.00 1.01 H new ATOM 0 HG21 VAL B 13 -4.285 10.499 7.762 1.00 0.74 H new ATOM 0 HG22 VAL B 13 -3.123 9.622 8.785 1.00 0.74 H new ATOM 0 HG23 VAL B 13 -3.685 11.240 9.265 1.00 0.74 H new ATOM 1706 N THR B 14 -1.462 11.917 10.851 1.00 0.68 N ATOM 1707 CA THR B 14 -1.654 12.718 12.074 1.00 0.70 C ATOM 1708 C THR B 14 -0.349 13.344 12.553 1.00 0.72 C ATOM 1709 O THR B 14 -0.340 14.522 12.899 1.00 0.90 O ATOM 1710 CB THR B 14 -2.273 11.861 13.183 1.00 0.65 C ATOM 1711 OG1 THR B 14 -3.499 11.361 12.717 1.00 0.92 O ATOM 1712 CG2 THR B 14 -2.576 12.654 14.455 1.00 0.93 C ATOM 0 H THR B 14 -1.540 10.914 11.017 1.00 0.68 H new ATOM 0 HA THR B 14 -2.338 13.531 11.829 1.00 0.70 H new ATOM 0 HB THR B 14 -1.551 11.081 13.425 1.00 0.65 H new ATOM 0 HG1 THR B 14 -3.372 10.452 12.373 1.00 0.92 H new ATOM 0 HG21 THR B 14 -3.013 11.991 15.202 1.00 0.93 H new ATOM 0 HG22 THR B 14 -1.653 13.082 14.845 1.00 0.93 H new ATOM 0 HG23 THR B 14 -3.279 13.455 14.226 1.00 0.93 H new ATOM 1720 N THR B 15 0.755 12.588 12.542 1.00 0.68 N ATOM 1721 CA THR B 15 2.081 13.057 12.992 1.00 0.78 C ATOM 1722 C THR B 15 2.657 14.086 12.026 1.00 0.90 C ATOM 1723 O THR B 15 3.289 15.031 12.473 1.00 1.22 O ATOM 1724 CB THR B 15 3.041 11.883 13.196 1.00 0.85 C ATOM 1725 OG1 THR B 15 2.459 10.946 14.072 1.00 2.02 O ATOM 1726 CG2 THR B 15 4.349 12.337 13.844 1.00 1.51 C ATOM 0 H THR B 15 0.758 11.621 12.217 1.00 0.68 H new ATOM 0 HA THR B 15 1.952 13.548 13.957 1.00 0.78 H new ATOM 0 HB THR B 15 3.240 11.454 12.214 1.00 0.85 H new ATOM 0 HG1 THR B 15 1.882 10.338 13.564 1.00 2.02 H new ATOM 0 HG21 THR B 15 5.008 11.478 13.974 1.00 1.51 H new ATOM 0 HG22 THR B 15 4.835 13.074 13.205 1.00 1.51 H new ATOM 0 HG23 THR B 15 4.138 12.783 14.816 1.00 1.51 H new ATOM 1734 N PHE B 16 2.362 13.963 10.735 1.00 0.71 N ATOM 1735 CA PHE B 16 2.586 14.978 9.703 1.00 0.68 C ATOM 1736 C PHE B 16 1.727 16.234 9.925 1.00 0.72 C ATOM 1737 O PHE B 16 2.264 17.335 10.013 1.00 0.87 O ATOM 1738 CB PHE B 16 2.293 14.295 8.360 1.00 0.65 C ATOM 1739 CG PHE B 16 2.480 15.132 7.113 1.00 0.63 C ATOM 1740 CD1 PHE B 16 3.727 15.178 6.457 1.00 2.04 C ATOM 1741 CD2 PHE B 16 1.374 15.796 6.556 1.00 2.05 C ATOM 1742 CE1 PHE B 16 3.858 15.884 5.247 1.00 1.95 C ATOM 1743 CE2 PHE B 16 1.512 16.511 5.360 1.00 2.16 C ATOM 1744 CZ PHE B 16 2.755 16.561 4.700 1.00 0.72 C ATOM 0 H PHE B 16 1.940 13.114 10.359 1.00 0.71 H new ATOM 0 HA PHE B 16 3.613 15.343 9.733 1.00 0.68 H new ATOM 0 HB2 PHE B 16 2.934 13.417 8.279 1.00 0.65 H new ATOM 0 HB3 PHE B 16 1.263 13.938 8.378 1.00 0.65 H new ATOM 0 HD1 PHE B 16 4.581 14.672 6.883 1.00 2.04 H new ATOM 0 HD2 PHE B 16 0.415 15.755 7.051 1.00 2.05 H new ATOM 0 HE1 PHE B 16 4.810 15.906 4.737 1.00 1.95 H new ATOM 0 HE2 PHE B 16 0.661 17.027 4.941 1.00 2.16 H new ATOM 0 HZ PHE B 16 2.860 17.116 3.779 1.00 0.72 H new ATOM 1754 N HIS B 17 0.401 16.101 10.062 1.00 0.66 N ATOM 1755 CA HIS B 17 -0.546 17.215 10.266 1.00 0.68 C ATOM 1756 C HIS B 17 -0.317 17.984 11.588 1.00 0.82 C ATOM 1757 O HIS B 17 -0.662 19.157 11.698 1.00 1.02 O ATOM 1758 CB HIS B 17 -1.970 16.645 10.172 1.00 0.75 C ATOM 1759 CG HIS B 17 -3.087 17.658 10.288 1.00 1.03 C ATOM 1760 ND1 HIS B 17 -3.677 18.091 11.458 1.00 1.96 N ATOM 1761 CD2 HIS B 17 -3.750 18.279 9.257 1.00 1.15 C ATOM 1762 CE1 HIS B 17 -4.674 18.931 11.136 1.00 2.32 C ATOM 1763 NE2 HIS B 17 -4.763 19.068 9.807 1.00 1.78 N ATOM 0 H HIS B 17 -0.060 15.191 10.034 1.00 0.66 H new ATOM 0 HA HIS B 17 -0.383 17.961 9.488 1.00 0.68 H new ATOM 0 HB2 HIS B 17 -2.072 16.125 9.219 1.00 0.75 H new ATOM 0 HB3 HIS B 17 -2.096 15.899 10.957 1.00 0.75 H new ATOM 0 HD2 HIS B 17 -3.527 18.175 8.205 1.00 1.15 H new ATOM 0 HE1 HIS B 17 -5.315 19.427 11.850 1.00 2.32 H new ATOM 0 HE2 HIS B 17 -5.438 19.637 9.296 1.00 1.78 H new ATOM 1772 N LYS B 18 0.346 17.377 12.578 1.00 0.89 N ATOM 1773 CA LYS B 18 0.858 18.086 13.761 1.00 1.03 C ATOM 1774 C LYS B 18 1.765 19.289 13.399 1.00 0.99 C ATOM 1775 O LYS B 18 1.898 20.211 14.205 1.00 1.20 O ATOM 1776 CB LYS B 18 1.555 17.044 14.654 1.00 1.11 C ATOM 1777 CG LYS B 18 2.124 17.555 15.988 1.00 1.52 C ATOM 1778 CD LYS B 18 3.633 17.846 15.889 1.00 2.44 C ATOM 1779 CE LYS B 18 4.273 18.217 17.232 1.00 3.61 C ATOM 1780 NZ LYS B 18 4.306 17.064 18.168 1.00 4.25 N ATOM 0 H LYS B 18 0.545 16.377 12.584 1.00 0.89 H new ATOM 0 HA LYS B 18 0.033 18.543 14.308 1.00 1.03 H new ATOM 0 HB2 LYS B 18 0.842 16.248 14.870 1.00 1.11 H new ATOM 0 HB3 LYS B 18 2.370 16.597 14.084 1.00 1.11 H new ATOM 0 HG2 LYS B 18 1.597 18.462 16.285 1.00 1.52 H new ATOM 0 HG3 LYS B 18 1.947 16.814 16.767 1.00 1.52 H new ATOM 0 HD2 LYS B 18 4.138 16.969 15.484 1.00 2.44 H new ATOM 0 HD3 LYS B 18 3.792 18.660 15.182 1.00 2.44 H new ATOM 0 HE2 LYS B 18 5.288 18.577 17.063 1.00 3.61 H new ATOM 0 HE3 LYS B 18 3.716 19.037 17.685 1.00 3.61 H new ATOM 0 HZ1 LYS B 18 4.821 17.332 19.031 1.00 4.25 H new ATOM 0 HZ2 LYS B 18 3.334 16.790 18.416 1.00 4.25 H new ATOM 0 HZ3 LYS B 18 4.786 16.261 17.713 1.00 4.25 H new ATOM 1794 N TYR B 19 2.388 19.267 12.214 1.00 0.83 N ATOM 1795 CA TYR B 19 3.128 20.375 11.589 1.00 0.86 C ATOM 1796 C TYR B 19 2.303 20.979 10.428 1.00 1.24 C ATOM 1797 O TYR B 19 1.833 22.109 10.532 1.00 2.27 O ATOM 1798 CB TYR B 19 4.510 19.873 11.110 1.00 0.73 C ATOM 1799 CG TYR B 19 5.294 19.079 12.143 1.00 0.64 C ATOM 1800 CD1 TYR B 19 5.041 17.701 12.286 1.00 2.09 C ATOM 1801 CD2 TYR B 19 6.246 19.701 12.975 1.00 1.72 C ATOM 1802 CE1 TYR B 19 5.673 16.960 13.296 1.00 2.25 C ATOM 1803 CE2 TYR B 19 6.916 18.956 13.971 1.00 1.71 C ATOM 1804 CZ TYR B 19 6.606 17.587 14.145 1.00 1.02 C ATOM 1805 OH TYR B 19 7.161 16.842 15.136 1.00 1.31 O ATOM 0 H TYR B 19 2.390 18.430 11.632 1.00 0.83 H new ATOM 0 HA TYR B 19 3.292 21.166 12.321 1.00 0.86 H new ATOM 0 HB2 TYR B 19 4.368 19.252 10.226 1.00 0.73 H new ATOM 0 HB3 TYR B 19 5.107 20.732 10.804 1.00 0.73 H new ATOM 0 HD1 TYR B 19 4.354 17.210 11.612 1.00 2.09 H new ATOM 0 HD2 TYR B 19 6.464 20.751 12.851 1.00 1.72 H new ATOM 0 HE1 TYR B 19 5.445 15.912 13.422 1.00 2.25 H new ATOM 0 HE2 TYR B 19 7.660 19.429 14.595 1.00 1.71 H new ATOM 0 HH TYR B 19 7.209 15.905 14.853 1.00 1.31 H new ATOM 1815 N SER B 20 2.041 20.195 9.378 1.00 0.92 N ATOM 1816 CA SER B 20 1.408 20.607 8.115 1.00 1.03 C ATOM 1817 C SER B 20 -0.083 20.975 8.197 1.00 1.65 C ATOM 1818 O SER B 20 -0.701 21.237 7.173 1.00 2.71 O ATOM 1819 CB SER B 20 1.549 19.453 7.109 1.00 1.15 C ATOM 1820 OG SER B 20 2.831 18.845 7.185 1.00 2.49 O ATOM 0 H SER B 20 2.276 19.202 9.383 1.00 0.92 H new ATOM 0 HA SER B 20 1.924 21.520 7.818 1.00 1.03 H new ATOM 0 HB2 SER B 20 0.779 18.706 7.302 1.00 1.15 H new ATOM 0 HB3 SER B 20 1.383 19.828 6.099 1.00 1.15 H new ATOM 0 HG SER B 20 2.864 18.075 6.580 1.00 2.49 H new ATOM 1826 N GLY B 21 -0.710 20.932 9.375 1.00 1.42 N ATOM 1827 CA GLY B 21 -2.137 21.225 9.566 1.00 2.02 C ATOM 1828 C GLY B 21 -2.423 22.506 10.342 1.00 2.36 C ATOM 1829 O GLY B 21 -3.586 22.805 10.607 1.00 2.99 O ATOM 0 H GLY B 21 -0.232 20.688 10.242 1.00 1.42 H new ATOM 0 HA2 GLY B 21 -2.614 21.293 8.589 1.00 2.02 H new ATOM 0 HA3 GLY B 21 -2.600 20.388 10.089 1.00 2.02 H new ATOM 1832 N ARG B 22 -1.385 23.229 10.773 1.00 2.28 N ATOM 1833 CA ARG B 22 -1.504 24.285 11.778 1.00 3.00 C ATOM 1834 C ARG B 22 -1.876 25.642 11.170 1.00 3.32 C ATOM 1835 O ARG B 22 -2.918 26.204 11.489 1.00 4.32 O ATOM 1836 CB ARG B 22 -0.169 24.456 12.501 1.00 3.00 C ATOM 1837 CG ARG B 22 0.338 23.296 13.361 1.00 3.45 C ATOM 1838 CD ARG B 22 1.769 23.623 13.825 1.00 3.09 C ATOM 1839 NE ARG B 22 1.863 24.992 14.378 1.00 3.64 N ATOM 1840 CZ ARG B 22 1.372 25.413 15.531 1.00 5.24 C ATOM 1841 NH1 ARG B 22 0.946 24.574 16.452 1.00 6.36 N ATOM 1842 NH2 ARG B 22 1.257 26.703 15.757 1.00 6.25 N ATOM 0 H ARG B 22 -0.433 23.096 10.431 1.00 2.28 H new ATOM 0 HA ARG B 22 -2.298 23.978 12.459 1.00 3.00 H new ATOM 0 HB2 ARG B 22 0.591 24.672 11.751 1.00 3.00 H new ATOM 0 HB3 ARG B 22 -0.246 25.336 13.140 1.00 3.00 H new ATOM 0 HG2 ARG B 22 -0.315 23.148 14.221 1.00 3.45 H new ATOM 0 HG3 ARG B 22 0.328 22.368 12.790 1.00 3.45 H new ATOM 0 HD2 ARG B 22 2.080 22.902 14.581 1.00 3.09 H new ATOM 0 HD3 ARG B 22 2.457 23.521 12.985 1.00 3.09 H new ATOM 0 HE ARG B 22 2.357 25.682 13.812 1.00 3.64 H new ATOM 0 HH11 ARG B 22 0.990 23.569 16.285 1.00 6.36 H new ATOM 0 HH12 ARG B 22 0.572 24.929 17.332 1.00 6.36 H new ATOM 0 HH21 ARG B 22 1.546 27.373 15.045 1.00 6.25 H new ATOM 0 HH22 ARG B 22 0.879 27.034 16.645 1.00 6.25 H new ATOM 1856 N GLU B 23 -0.981 26.180 10.344 1.00 2.78 N ATOM 1857 CA GLU B 23 -1.049 27.506 9.748 1.00 3.28 C ATOM 1858 C GLU B 23 -0.686 27.382 8.266 1.00 2.61 C ATOM 1859 O GLU B 23 0.186 26.595 7.904 1.00 2.71 O ATOM 1860 CB GLU B 23 -0.042 28.458 10.428 1.00 4.30 C ATOM 1861 CG GLU B 23 -0.286 28.722 11.928 1.00 5.48 C ATOM 1862 CD GLU B 23 0.782 28.146 12.873 1.00 6.29 C ATOM 1863 OE1 GLU B 23 1.367 27.074 12.604 1.00 6.31 O ATOM 1864 OE2 GLU B 23 0.975 28.727 13.962 1.00 7.49 O ATOM 0 H GLU B 23 -0.144 25.672 10.059 1.00 2.78 H new ATOM 0 HA GLU B 23 -2.054 27.909 9.875 1.00 3.28 H new ATOM 0 HB2 GLU B 23 0.960 28.045 10.308 1.00 4.30 H new ATOM 0 HB3 GLU B 23 -0.059 29.412 9.902 1.00 4.30 H new ATOM 0 HG2 GLU B 23 -0.347 29.799 12.087 1.00 5.48 H new ATOM 0 HG3 GLU B 23 -1.255 28.304 12.202 1.00 5.48 H new ATOM 1871 N GLY B 24 -1.344 28.159 7.403 1.00 3.11 N ATOM 1872 CA GLY B 24 -1.075 28.168 5.961 1.00 2.89 C ATOM 1873 C GLY B 24 -1.630 26.939 5.230 1.00 2.43 C ATOM 1874 O GLY B 24 -2.821 26.653 5.290 1.00 3.03 O ATOM 0 H GLY B 24 -2.083 28.804 7.685 1.00 3.11 H new ATOM 0 HA2 GLY B 24 -1.508 29.068 5.524 1.00 2.89 H new ATOM 0 HA3 GLY B 24 0.002 28.222 5.800 1.00 2.89 H new ATOM 1877 N SER B 25 -0.773 26.275 4.454 1.00 2.07 N ATOM 1878 CA SER B 25 -1.080 25.157 3.551 1.00 1.84 C ATOM 1879 C SER B 25 -1.466 23.874 4.323 1.00 1.67 C ATOM 1880 O SER B 25 -0.595 23.202 4.862 1.00 1.81 O ATOM 1881 CB SER B 25 0.164 24.907 2.670 1.00 2.23 C ATOM 1882 OG SER B 25 0.741 26.119 2.198 1.00 3.78 O ATOM 0 H SER B 25 0.218 26.516 4.436 1.00 2.07 H new ATOM 0 HA SER B 25 -1.943 25.417 2.938 1.00 1.84 H new ATOM 0 HB2 SER B 25 0.907 24.352 3.243 1.00 2.23 H new ATOM 0 HB3 SER B 25 -0.114 24.284 1.820 1.00 2.23 H new ATOM 0 HG SER B 25 1.643 25.941 1.858 1.00 3.78 H new ATOM 1888 N LYS B 26 -2.748 23.469 4.391 1.00 1.75 N ATOM 1889 CA LYS B 26 -3.197 22.508 5.431 1.00 1.93 C ATOM 1890 C LYS B 26 -2.881 21.022 5.140 1.00 1.89 C ATOM 1891 O LYS B 26 -3.537 20.136 5.686 1.00 2.39 O ATOM 1892 CB LYS B 26 -4.689 22.729 5.783 1.00 2.24 C ATOM 1893 CG LYS B 26 -5.080 24.154 6.218 1.00 2.70 C ATOM 1894 CD LYS B 26 -5.618 25.052 5.087 1.00 3.52 C ATOM 1895 CE LYS B 26 -6.898 24.521 4.426 1.00 3.11 C ATOM 1896 NZ LYS B 26 -8.083 24.603 5.310 1.00 2.78 N ATOM 0 H LYS B 26 -3.482 23.781 3.755 1.00 1.75 H new ATOM 0 HA LYS B 26 -2.591 22.735 6.308 1.00 1.93 H new ATOM 0 HB2 LYS B 26 -5.290 22.459 4.915 1.00 2.24 H new ATOM 0 HB3 LYS B 26 -4.958 22.040 6.584 1.00 2.24 H new ATOM 0 HG2 LYS B 26 -5.837 24.085 6.999 1.00 2.70 H new ATOM 0 HG3 LYS B 26 -4.208 24.635 6.661 1.00 2.70 H new ATOM 0 HD2 LYS B 26 -5.814 26.046 5.488 1.00 3.52 H new ATOM 0 HD3 LYS B 26 -4.846 25.162 4.325 1.00 3.52 H new ATOM 0 HE2 LYS B 26 -7.091 25.087 3.515 1.00 3.11 H new ATOM 0 HE3 LYS B 26 -6.744 23.483 4.130 1.00 3.11 H new ATOM 0 HZ1 LYS B 26 -8.781 23.888 5.022 1.00 2.78 H new ATOM 0 HZ2 LYS B 26 -7.795 24.428 6.294 1.00 2.78 H new ATOM 0 HZ3 LYS B 26 -8.506 25.550 5.236 1.00 2.78 H new ATOM 1910 N LEU B 27 -1.926 20.734 4.245 1.00 1.59 N ATOM 1911 CA LEU B 27 -1.528 19.387 3.777 1.00 1.65 C ATOM 1912 C LEU B 27 -0.059 19.254 3.343 1.00 1.40 C ATOM 1913 O LEU B 27 0.334 18.178 2.886 1.00 1.45 O ATOM 1914 CB LEU B 27 -2.411 18.973 2.584 1.00 1.79 C ATOM 1915 CG LEU B 27 -3.842 18.549 2.921 1.00 2.29 C ATOM 1916 CD1 LEU B 27 -4.469 18.137 1.588 1.00 2.45 C ATOM 1917 CD2 LEU B 27 -3.916 17.380 3.915 1.00 2.90 C ATOM 0 H LEU B 27 -1.377 21.470 3.800 1.00 1.59 H new ATOM 0 HA LEU B 27 -1.661 18.738 4.643 1.00 1.65 H new ATOM 0 HB2 LEU B 27 -2.456 19.808 1.885 1.00 1.79 H new ATOM 0 HB3 LEU B 27 -1.922 18.149 2.065 1.00 1.79 H new ATOM 0 HG LEU B 27 -4.364 19.373 3.407 1.00 2.29 H new ATOM 0 HD11 LEU B 27 -5.499 17.820 1.753 1.00 2.45 H new ATOM 0 HD12 LEU B 27 -4.455 18.984 0.902 1.00 2.45 H new ATOM 0 HD13 LEU B 27 -3.900 17.313 1.158 1.00 2.45 H new ATOM 0 HD21 LEU B 27 -4.960 17.132 4.108 1.00 2.90 H new ATOM 0 HD22 LEU B 27 -3.409 16.512 3.494 1.00 2.90 H new ATOM 0 HD23 LEU B 27 -3.432 17.665 4.849 1.00 2.90 H new ATOM 1929 N THR B 28 0.734 20.312 3.459 1.00 1.23 N ATOM 1930 CA THR B 28 2.130 20.374 3.009 1.00 0.98 C ATOM 1931 C THR B 28 3.023 21.067 4.044 1.00 0.84 C ATOM 1932 O THR B 28 2.531 21.739 4.944 1.00 1.03 O ATOM 1933 CB THR B 28 2.208 21.075 1.646 1.00 0.93 C ATOM 1934 OG1 THR B 28 1.416 22.241 1.631 1.00 0.99 O ATOM 1935 CG2 THR B 28 1.719 20.182 0.505 1.00 1.08 C ATOM 0 H THR B 28 0.417 21.184 3.883 1.00 1.23 H new ATOM 0 HA THR B 28 2.503 19.356 2.899 1.00 0.98 H new ATOM 0 HB THR B 28 3.261 21.316 1.498 1.00 0.93 H new ATOM 0 HG1 THR B 28 1.714 22.830 0.907 1.00 0.99 H new ATOM 0 HG21 THR B 28 1.794 20.723 -0.438 1.00 1.08 H new ATOM 0 HG22 THR B 28 2.334 19.283 0.457 1.00 1.08 H new ATOM 0 HG23 THR B 28 0.680 19.902 0.681 1.00 1.08 H new ATOM 1943 N LEU B 29 4.343 20.888 3.935 1.00 0.68 N ATOM 1944 CA LEU B 29 5.366 21.586 4.740 1.00 0.66 C ATOM 1945 C LEU B 29 6.699 21.643 3.983 1.00 0.75 C ATOM 1946 O LEU B 29 6.830 21.009 2.943 1.00 0.84 O ATOM 1947 CB LEU B 29 5.495 20.983 6.163 1.00 0.70 C ATOM 1948 CG LEU B 29 6.408 19.747 6.336 1.00 0.63 C ATOM 1949 CD1 LEU B 29 6.381 19.269 7.799 1.00 0.83 C ATOM 1950 CD2 LEU B 29 6.014 18.575 5.432 1.00 0.66 C ATOM 0 H LEU B 29 4.748 20.234 3.265 1.00 0.68 H new ATOM 0 HA LEU B 29 5.042 22.616 4.891 1.00 0.66 H new ATOM 0 HB2 LEU B 29 5.860 21.766 6.828 1.00 0.70 H new ATOM 0 HB3 LEU B 29 4.496 20.713 6.506 1.00 0.70 H new ATOM 0 HG LEU B 29 7.410 20.067 6.049 1.00 0.63 H new ATOM 0 HD11 LEU B 29 7.027 18.398 7.909 1.00 0.83 H new ATOM 0 HD12 LEU B 29 6.735 20.069 8.450 1.00 0.83 H new ATOM 0 HD13 LEU B 29 5.361 19.001 8.076 1.00 0.83 H new ATOM 0 HD21 LEU B 29 6.694 17.740 5.602 1.00 0.66 H new ATOM 0 HD22 LEU B 29 4.994 18.266 5.661 1.00 0.66 H new ATOM 0 HD23 LEU B 29 6.073 18.884 4.389 1.00 0.66 H new ATOM 1962 N SER B 30 7.687 22.402 4.449 1.00 0.96 N ATOM 1963 CA SER B 30 8.947 22.529 3.720 1.00 1.23 C ATOM 1964 C SER B 30 9.893 21.333 3.907 1.00 1.30 C ATOM 1965 O SER B 30 9.808 20.588 4.888 1.00 1.26 O ATOM 1966 CB SER B 30 9.650 23.840 4.074 1.00 1.54 C ATOM 1967 OG SER B 30 10.060 23.879 5.427 1.00 1.79 O ATOM 0 H SER B 30 7.642 22.933 5.318 1.00 0.96 H new ATOM 0 HA SER B 30 8.682 22.539 2.663 1.00 1.23 H new ATOM 0 HB2 SER B 30 10.519 23.970 3.429 1.00 1.54 H new ATOM 0 HB3 SER B 30 8.978 24.675 3.876 1.00 1.54 H new ATOM 0 HG SER B 30 10.506 24.733 5.609 1.00 1.79 H new ATOM 1973 N ARG B 31 10.874 21.183 3.003 1.00 1.43 N ATOM 1974 CA ARG B 31 11.967 20.220 3.199 1.00 1.42 C ATOM 1975 C ARG B 31 12.680 20.450 4.549 1.00 1.32 C ATOM 1976 O ARG B 31 13.082 19.494 5.208 1.00 1.25 O ATOM 1977 CB ARG B 31 13.021 20.274 2.076 1.00 1.58 C ATOM 1978 CG ARG B 31 12.636 20.730 0.663 1.00 1.77 C ATOM 1979 CD ARG B 31 11.736 19.771 -0.104 1.00 2.08 C ATOM 1980 NE ARG B 31 12.400 18.513 -0.483 1.00 2.43 N ATOM 1981 CZ ARG B 31 12.014 17.719 -1.480 1.00 2.91 C ATOM 1982 NH1 ARG B 31 11.157 18.089 -2.408 1.00 3.31 N ATOM 1983 NH2 ARG B 31 12.469 16.492 -1.534 1.00 3.47 N ATOM 0 H ARG B 31 10.932 21.714 2.134 1.00 1.43 H new ATOM 0 HA ARG B 31 11.496 19.237 3.185 1.00 1.42 H new ATOM 0 HB2 ARG B 31 13.821 20.930 2.418 1.00 1.58 H new ATOM 0 HB3 ARG B 31 13.446 19.274 1.986 1.00 1.58 H new ATOM 0 HG2 ARG B 31 12.135 21.695 0.734 1.00 1.77 H new ATOM 0 HG3 ARG B 31 13.548 20.886 0.087 1.00 1.77 H new ATOM 0 HD2 ARG B 31 10.862 19.541 0.505 1.00 2.08 H new ATOM 0 HD3 ARG B 31 11.375 20.267 -1.005 1.00 2.08 H new ATOM 0 HE ARG B 31 13.216 18.228 0.058 1.00 2.43 H new ATOM 0 HH11 ARG B 31 10.754 19.026 -2.385 1.00 3.31 H new ATOM 0 HH12 ARG B 31 10.896 17.439 -3.150 1.00 3.31 H new ATOM 0 HH21 ARG B 31 13.112 16.154 -0.817 1.00 3.47 H new ATOM 0 HH22 ARG B 31 12.181 15.874 -2.293 1.00 3.47 H new ATOM 1997 N LYS B 32 12.841 21.716 4.960 1.00 1.43 N ATOM 1998 CA LYS B 32 13.377 22.131 6.260 1.00 1.42 C ATOM 1999 C LYS B 32 12.607 21.467 7.414 1.00 1.39 C ATOM 2000 O LYS B 32 13.211 20.732 8.195 1.00 1.60 O ATOM 2001 CB LYS B 32 13.321 23.671 6.349 1.00 1.56 C ATOM 2002 CG LYS B 32 14.342 24.262 7.339 1.00 1.42 C ATOM 2003 CD LYS B 32 15.712 24.543 6.701 1.00 2.69 C ATOM 2004 CE LYS B 32 15.606 25.712 5.712 1.00 3.65 C ATOM 2005 NZ LYS B 32 16.859 25.946 4.959 1.00 4.85 N ATOM 0 H LYS B 32 12.590 22.510 4.370 1.00 1.43 H new ATOM 0 HA LYS B 32 14.414 21.806 6.350 1.00 1.42 H new ATOM 0 HB2 LYS B 32 13.499 24.092 5.359 1.00 1.56 H new ATOM 0 HB3 LYS B 32 12.318 23.974 6.648 1.00 1.56 H new ATOM 0 HG2 LYS B 32 13.944 25.189 7.752 1.00 1.42 H new ATOM 0 HG3 LYS B 32 14.471 23.572 8.173 1.00 1.42 H new ATOM 0 HD2 LYS B 32 16.441 24.778 7.476 1.00 2.69 H new ATOM 0 HD3 LYS B 32 16.071 23.652 6.185 1.00 2.69 H new ATOM 0 HE2 LYS B 32 14.797 25.514 5.009 1.00 3.65 H new ATOM 0 HE3 LYS B 32 15.340 26.618 6.256 1.00 3.65 H new ATOM 0 HZ1 LYS B 32 16.632 26.175 3.970 1.00 4.85 H new ATOM 0 HZ2 LYS B 32 17.378 26.739 5.387 1.00 4.85 H new ATOM 0 HZ3 LYS B 32 17.448 25.089 4.990 1.00 4.85 H new ATOM 2019 N GLU B 33 11.285 21.658 7.448 1.00 1.22 N ATOM 2020 CA GLU B 33 10.417 21.172 8.521 1.00 1.12 C ATOM 2021 C GLU B 33 10.269 19.648 8.528 1.00 0.99 C ATOM 2022 O GLU B 33 10.269 19.066 9.609 1.00 0.97 O ATOM 2023 CB GLU B 33 9.038 21.846 8.437 1.00 1.09 C ATOM 2024 CG GLU B 33 9.075 23.347 8.745 1.00 2.15 C ATOM 2025 CD GLU B 33 9.597 23.593 10.157 1.00 2.44 C ATOM 2026 OE1 GLU B 33 8.787 23.414 11.093 1.00 2.18 O ATOM 2027 OE2 GLU B 33 10.806 23.897 10.262 1.00 3.97 O ATOM 0 H GLU B 33 10.781 22.163 6.719 1.00 1.22 H new ATOM 0 HA GLU B 33 10.898 21.442 9.461 1.00 1.12 H new ATOM 0 HB2 GLU B 33 8.629 21.698 7.437 1.00 1.09 H new ATOM 0 HB3 GLU B 33 8.359 21.356 9.135 1.00 1.09 H new ATOM 0 HG2 GLU B 33 9.712 23.856 8.022 1.00 2.15 H new ATOM 0 HG3 GLU B 33 8.075 23.769 8.642 1.00 2.15 H new ATOM 2034 N LEU B 34 10.248 18.964 7.374 1.00 0.93 N ATOM 2035 CA LEU B 34 10.341 17.493 7.347 1.00 0.86 C ATOM 2036 C LEU B 34 11.577 17.015 8.124 1.00 0.81 C ATOM 2037 O LEU B 34 11.500 16.139 8.988 1.00 0.68 O ATOM 2038 CB LEU B 34 10.345 16.992 5.886 1.00 0.95 C ATOM 2039 CG LEU B 34 10.687 15.493 5.725 1.00 1.00 C ATOM 2040 CD1 LEU B 34 9.708 14.585 6.474 1.00 1.28 C ATOM 2041 CD2 LEU B 34 10.697 15.063 4.256 1.00 1.26 C ATOM 0 H LEU B 34 10.168 19.399 6.455 1.00 0.93 H new ATOM 0 HA LEU B 34 9.468 17.068 7.842 1.00 0.86 H new ATOM 0 HB2 LEU B 34 9.364 17.177 5.449 1.00 0.95 H new ATOM 0 HB3 LEU B 34 11.064 17.579 5.315 1.00 0.95 H new ATOM 0 HG LEU B 34 11.683 15.381 6.152 1.00 1.00 H new ATOM 0 HD11 LEU B 34 9.993 13.543 6.328 1.00 1.28 H new ATOM 0 HD12 LEU B 34 9.733 14.822 7.538 1.00 1.28 H new ATOM 0 HD13 LEU B 34 8.700 14.742 6.090 1.00 1.28 H new ATOM 0 HD21 LEU B 34 10.942 14.003 4.189 1.00 1.26 H new ATOM 0 HD22 LEU B 34 9.714 15.237 3.819 1.00 1.26 H new ATOM 0 HD23 LEU B 34 11.443 15.643 3.712 1.00 1.26 H new ATOM 2053 N LYS B 35 12.728 17.642 7.871 1.00 0.96 N ATOM 2054 CA LYS B 35 13.980 17.366 8.577 1.00 0.99 C ATOM 2055 C LYS B 35 13.909 17.547 10.108 1.00 1.03 C ATOM 2056 O LYS B 35 14.683 16.896 10.822 1.00 1.18 O ATOM 2057 CB LYS B 35 15.118 18.160 7.893 1.00 1.21 C ATOM 2058 CG LYS B 35 15.944 19.067 8.819 1.00 1.17 C ATOM 2059 CD LYS B 35 16.985 19.903 8.056 1.00 1.81 C ATOM 2060 CE LYS B 35 18.353 19.225 8.176 1.00 2.37 C ATOM 2061 NZ LYS B 35 19.349 19.750 7.218 1.00 3.44 N ATOM 0 H LYS B 35 12.817 18.367 7.159 1.00 0.96 H new ATOM 0 HA LYS B 35 14.196 16.301 8.489 1.00 0.99 H new ATOM 0 HB2 LYS B 35 15.792 17.452 7.411 1.00 1.21 H new ATOM 0 HB3 LYS B 35 14.685 18.775 7.104 1.00 1.21 H new ATOM 0 HG2 LYS B 35 15.273 19.735 9.360 1.00 1.17 H new ATOM 0 HG3 LYS B 35 16.451 18.454 9.564 1.00 1.17 H new ATOM 0 HD2 LYS B 35 16.700 19.994 7.008 1.00 1.81 H new ATOM 0 HD3 LYS B 35 17.028 20.913 8.463 1.00 1.81 H new ATOM 0 HE2 LYS B 35 18.729 19.357 9.190 1.00 2.37 H new ATOM 0 HE3 LYS B 35 18.235 18.153 8.017 1.00 2.37 H new ATOM 0 HZ1 LYS B 35 20.306 19.505 7.543 1.00 3.44 H new ATOM 0 HZ2 LYS B 35 19.184 19.331 6.281 1.00 3.44 H new ATOM 0 HZ3 LYS B 35 19.259 20.784 7.155 1.00 3.44 H new ATOM 2075 N GLU B 36 13.035 18.424 10.599 1.00 0.99 N ATOM 2076 CA GLU B 36 12.767 18.619 12.027 1.00 1.04 C ATOM 2077 C GLU B 36 11.677 17.681 12.580 1.00 0.84 C ATOM 2078 O GLU B 36 11.813 17.159 13.685 1.00 0.82 O ATOM 2079 CB GLU B 36 12.416 20.096 12.259 1.00 1.26 C ATOM 2080 CG GLU B 36 12.282 20.462 13.738 1.00 1.38 C ATOM 2081 CD GLU B 36 13.608 20.445 14.505 1.00 2.20 C ATOM 2082 OE1 GLU B 36 14.298 19.399 14.556 1.00 3.25 O ATOM 2083 OE2 GLU B 36 13.868 21.398 15.271 1.00 2.64 O ATOM 0 H GLU B 36 12.478 19.035 10.001 1.00 0.99 H new ATOM 0 HA GLU B 36 13.668 18.356 12.582 1.00 1.04 H new ATOM 0 HB2 GLU B 36 13.186 20.721 11.806 1.00 1.26 H new ATOM 0 HB3 GLU B 36 11.480 20.324 11.749 1.00 1.26 H new ATOM 0 HG2 GLU B 36 11.840 21.455 13.818 1.00 1.38 H new ATOM 0 HG3 GLU B 36 11.590 19.766 14.213 1.00 1.38 H new ATOM 2090 N LEU B 37 10.636 17.378 11.793 1.00 0.79 N ATOM 2091 CA LEU B 37 9.622 16.368 12.090 1.00 0.73 C ATOM 2092 C LEU B 37 10.313 15.060 12.490 1.00 0.72 C ATOM 2093 O LEU B 37 10.051 14.591 13.590 1.00 0.76 O ATOM 2094 CB LEU B 37 8.637 16.304 10.891 1.00 0.70 C ATOM 2095 CG LEU B 37 7.892 14.998 10.547 1.00 0.92 C ATOM 2096 CD1 LEU B 37 6.986 14.435 11.647 1.00 1.30 C ATOM 2097 CD2 LEU B 37 7.009 15.262 9.314 1.00 1.16 C ATOM 0 H LEU B 37 10.475 17.848 10.902 1.00 0.79 H new ATOM 0 HA LEU B 37 9.005 16.614 12.954 1.00 0.73 H new ATOM 0 HB2 LEU B 37 7.879 17.070 11.058 1.00 0.70 H new ATOM 0 HB3 LEU B 37 9.196 16.597 10.002 1.00 0.70 H new ATOM 0 HG LEU B 37 8.672 14.254 10.387 1.00 0.92 H new ATOM 0 HD11 LEU B 37 6.514 13.518 11.296 1.00 1.30 H new ATOM 0 HD12 LEU B 37 7.582 14.220 12.534 1.00 1.30 H new ATOM 0 HD13 LEU B 37 6.217 15.167 11.895 1.00 1.30 H new ATOM 0 HD21 LEU B 37 6.471 14.352 9.050 1.00 1.16 H new ATOM 0 HD22 LEU B 37 6.294 16.053 9.541 1.00 1.16 H new ATOM 0 HD23 LEU B 37 7.636 15.568 8.477 1.00 1.16 H new ATOM 2109 N ILE B 38 11.296 14.581 11.713 1.00 0.75 N ATOM 2110 CA ILE B 38 12.127 13.360 11.944 1.00 0.91 C ATOM 2111 C ILE B 38 12.993 13.379 13.232 1.00 1.00 C ATOM 2112 O ILE B 38 13.541 12.357 13.658 1.00 1.48 O ATOM 2113 CB ILE B 38 12.954 13.124 10.651 1.00 0.95 C ATOM 2114 CG1 ILE B 38 11.989 12.746 9.500 1.00 1.11 C ATOM 2115 CG2 ILE B 38 14.049 12.048 10.787 1.00 1.57 C ATOM 2116 CD1 ILE B 38 12.576 13.105 8.136 1.00 1.19 C ATOM 0 H ILE B 38 11.559 15.056 10.849 1.00 0.75 H new ATOM 0 HA ILE B 38 11.462 12.518 12.140 1.00 0.91 H new ATOM 0 HB ILE B 38 13.479 14.056 10.441 1.00 0.95 H new ATOM 0 HG12 ILE B 38 11.778 11.677 9.537 1.00 1.11 H new ATOM 0 HG13 ILE B 38 11.039 13.263 9.636 1.00 1.11 H new ATOM 0 HG21 ILE B 38 14.579 11.946 9.840 1.00 1.57 H new ATOM 0 HG22 ILE B 38 14.752 12.341 11.566 1.00 1.57 H new ATOM 0 HG23 ILE B 38 13.591 11.095 11.051 1.00 1.57 H new ATOM 0 HD11 ILE B 38 11.872 12.826 7.352 1.00 1.19 H new ATOM 0 HD12 ILE B 38 12.762 14.178 8.091 1.00 1.19 H new ATOM 0 HD13 ILE B 38 13.513 12.568 7.990 1.00 1.19 H new ATOM 2128 N LYS B 39 13.142 14.541 13.870 1.00 0.81 N ATOM 2129 CA LYS B 39 13.765 14.712 15.196 1.00 0.97 C ATOM 2130 C LYS B 39 12.765 14.733 16.374 1.00 0.90 C ATOM 2131 O LYS B 39 13.182 14.714 17.531 1.00 1.10 O ATOM 2132 CB LYS B 39 14.542 16.039 15.170 1.00 1.28 C ATOM 2133 CG LYS B 39 15.995 15.897 14.741 1.00 1.66 C ATOM 2134 CD LYS B 39 16.150 15.119 13.429 1.00 2.29 C ATOM 2135 CE LYS B 39 17.498 15.425 12.797 1.00 3.46 C ATOM 2136 NZ LYS B 39 17.492 16.781 12.193 1.00 5.74 N ATOM 0 H LYS B 39 12.823 15.423 13.469 1.00 0.81 H new ATOM 0 HA LYS B 39 14.406 13.848 15.371 1.00 0.97 H new ATOM 0 HB2 LYS B 39 14.040 16.729 14.492 1.00 1.28 H new ATOM 0 HB3 LYS B 39 14.509 16.487 16.163 1.00 1.28 H new ATOM 0 HG2 LYS B 39 16.434 16.888 14.625 1.00 1.66 H new ATOM 0 HG3 LYS B 39 16.554 15.390 15.528 1.00 1.66 H new ATOM 0 HD2 LYS B 39 16.063 14.049 13.619 1.00 2.29 H new ATOM 0 HD3 LYS B 39 15.348 15.387 12.741 1.00 2.29 H new ATOM 0 HE2 LYS B 39 18.283 15.359 13.550 1.00 3.46 H new ATOM 0 HE3 LYS B 39 17.726 14.681 12.034 1.00 3.46 H new ATOM 0 HZ1 LYS B 39 17.464 16.699 11.157 1.00 5.74 H new ATOM 0 HZ2 LYS B 39 16.655 17.304 12.522 1.00 5.74 H new ATOM 0 HZ3 LYS B 39 18.353 17.291 12.477 1.00 5.74 H new ATOM 2150 N LYS B 40 11.468 14.911 16.101 1.00 0.79 N ATOM 2151 CA LYS B 40 10.400 15.141 17.090 1.00 0.93 C ATOM 2152 C LYS B 40 9.277 14.082 17.054 1.00 1.11 C ATOM 2153 O LYS B 40 8.531 13.939 18.021 1.00 1.61 O ATOM 2154 CB LYS B 40 9.795 16.521 16.784 1.00 1.02 C ATOM 2155 CG LYS B 40 10.475 17.724 17.424 1.00 1.16 C ATOM 2156 CD LYS B 40 11.966 17.931 17.123 1.00 1.72 C ATOM 2157 CE LYS B 40 12.372 19.352 17.514 1.00 1.91 C ATOM 2158 NZ LYS B 40 13.810 19.599 17.257 1.00 2.69 N ATOM 0 H LYS B 40 11.115 14.899 15.144 1.00 0.79 H new ATOM 0 HA LYS B 40 10.841 15.079 18.085 1.00 0.93 H new ATOM 0 HB2 LYS B 40 9.800 16.663 15.703 1.00 1.02 H new ATOM 0 HB3 LYS B 40 8.752 16.512 17.099 1.00 1.02 H new ATOM 0 HG2 LYS B 40 9.940 18.620 17.111 1.00 1.16 H new ATOM 0 HG3 LYS B 40 10.357 17.643 18.505 1.00 1.16 H new ATOM 0 HD2 LYS B 40 12.564 17.206 17.675 1.00 1.72 H new ATOM 0 HD3 LYS B 40 12.161 17.764 16.064 1.00 1.72 H new ATOM 0 HE2 LYS B 40 11.773 20.069 16.953 1.00 1.91 H new ATOM 0 HE3 LYS B 40 12.157 19.515 18.570 1.00 1.91 H new ATOM 0 HZ1 LYS B 40 13.953 20.601 17.020 1.00 2.69 H new ATOM 0 HZ2 LYS B 40 14.360 19.362 18.107 1.00 2.69 H new ATOM 0 HZ3 LYS B 40 14.128 19.007 16.463 1.00 2.69 H new ATOM 2172 N GLU B 41 9.137 13.371 15.937 1.00 0.94 N ATOM 2173 CA GLU B 41 8.381 12.104 15.820 1.00 1.08 C ATOM 2174 C GLU B 41 9.147 10.883 16.349 1.00 1.01 C ATOM 2175 O GLU B 41 8.533 9.853 16.624 1.00 1.19 O ATOM 2176 CB GLU B 41 7.976 11.824 14.366 1.00 1.51 C ATOM 2177 CG GLU B 41 9.144 11.837 13.361 1.00 2.91 C ATOM 2178 CD GLU B 41 9.352 10.591 12.505 1.00 4.56 C ATOM 2179 OE1 GLU B 41 9.157 9.468 13.018 1.00 5.26 O ATOM 2180 OE2 GLU B 41 9.751 10.816 11.340 1.00 5.72 O ATOM 0 H GLU B 41 9.556 13.662 15.054 1.00 0.94 H new ATOM 0 HA GLU B 41 7.497 12.248 16.441 1.00 1.08 H new ATOM 0 HB2 GLU B 41 7.485 10.852 14.320 1.00 1.51 H new ATOM 0 HB3 GLU B 41 7.241 12.567 14.058 1.00 1.51 H new ATOM 0 HG2 GLU B 41 9.002 12.685 12.691 1.00 2.91 H new ATOM 0 HG3 GLU B 41 10.064 12.020 13.917 1.00 2.91 H new ATOM 2187 N LEU B 42 10.462 11.014 16.529 1.00 1.26 N ATOM 2188 CA LEU B 42 11.377 10.011 17.061 1.00 1.64 C ATOM 2189 C LEU B 42 12.581 10.706 17.687 1.00 1.69 C ATOM 2190 O LEU B 42 13.067 11.702 17.148 1.00 1.63 O ATOM 2191 CB LEU B 42 11.858 9.080 15.925 1.00 1.88 C ATOM 2192 CG LEU B 42 11.245 7.673 15.969 1.00 2.07 C ATOM 2193 CD1 LEU B 42 11.769 6.857 14.779 1.00 2.13 C ATOM 2194 CD2 LEU B 42 11.566 6.948 17.287 1.00 3.36 C ATOM 0 H LEU B 42 10.944 11.881 16.291 1.00 1.26 H new ATOM 0 HA LEU B 42 10.859 9.419 17.815 1.00 1.64 H new ATOM 0 HB2 LEU B 42 11.618 9.540 14.966 1.00 1.88 H new ATOM 0 HB3 LEU B 42 12.943 8.994 15.975 1.00 1.88 H new ATOM 0 HG LEU B 42 10.161 7.772 15.908 1.00 2.07 H new ATOM 0 HD11 LEU B 42 11.337 5.857 14.805 1.00 2.13 H new ATOM 0 HD12 LEU B 42 11.488 7.349 13.848 1.00 2.13 H new ATOM 0 HD13 LEU B 42 12.855 6.785 14.837 1.00 2.13 H new ATOM 0 HD21 LEU B 42 11.113 5.956 17.276 1.00 3.36 H new ATOM 0 HD22 LEU B 42 12.646 6.853 17.396 1.00 3.36 H new ATOM 0 HD23 LEU B 42 11.166 7.520 18.124 1.00 3.36 H new ATOM 2206 N CYS B 43 13.095 10.099 18.756 1.00 2.00 N ATOM 2207 CA CYS B 43 14.488 10.251 19.156 1.00 1.90 C ATOM 2208 C CYS B 43 15.347 9.389 18.220 1.00 1.82 C ATOM 2209 O CYS B 43 15.442 9.723 17.035 1.00 2.83 O ATOM 2210 CB CYS B 43 14.621 9.955 20.659 1.00 2.17 C ATOM 2211 SG CYS B 43 16.252 10.501 21.235 1.00 3.52 S ATOM 0 H CYS B 43 12.554 9.488 19.368 1.00 2.00 H new ATOM 0 HA CYS B 43 14.856 11.271 19.045 1.00 1.90 H new ATOM 0 HB2 CYS B 43 13.836 10.469 21.214 1.00 2.17 H new ATOM 0 HB3 CYS B 43 14.496 8.888 20.844 1.00 2.17 H new ATOM 0 HG CYS B 43 16.368 10.255 22.506 1.00 3.52 H new ATOM 2217 N LEU B 44 15.956 8.305 18.715 1.00 2.27 N ATOM 2218 CA LEU B 44 17.100 7.651 18.096 1.00 2.50 C ATOM 2219 C LEU B 44 18.167 8.704 17.746 1.00 2.64 C ATOM 2220 O LEU B 44 18.223 9.251 16.643 1.00 3.30 O ATOM 2221 CB LEU B 44 16.685 6.754 16.915 1.00 2.84 C ATOM 2222 CG LEU B 44 16.171 5.358 17.300 1.00 3.76 C ATOM 2223 CD1 LEU B 44 14.781 5.343 17.942 1.00 5.06 C ATOM 2224 CD2 LEU B 44 16.111 4.503 16.027 1.00 3.92 C ATOM 0 H LEU B 44 15.655 7.852 19.578 1.00 2.27 H new ATOM 0 HA LEU B 44 17.553 6.962 18.808 1.00 2.50 H new ATOM 0 HB2 LEU B 44 15.908 7.265 16.347 1.00 2.84 H new ATOM 0 HB3 LEU B 44 17.541 6.637 16.250 1.00 2.84 H new ATOM 0 HG LEU B 44 16.864 4.972 18.048 1.00 3.76 H new ATOM 0 HD11 LEU B 44 14.501 4.317 18.180 1.00 5.06 H new ATOM 0 HD12 LEU B 44 14.796 5.936 18.856 1.00 5.06 H new ATOM 0 HD13 LEU B 44 14.055 5.765 17.247 1.00 5.06 H new ATOM 0 HD21 LEU B 44 15.748 3.506 16.275 1.00 3.92 H new ATOM 0 HD22 LEU B 44 15.435 4.967 15.309 1.00 3.92 H new ATOM 0 HD23 LEU B 44 17.107 4.429 15.591 1.00 3.92 H new ATOM 2236 N GLY B 45 19.004 9.009 18.732 1.00 2.81 N ATOM 2237 CA GLY B 45 20.091 9.987 18.646 1.00 3.10 C ATOM 2238 C GLY B 45 21.440 9.358 18.301 1.00 2.58 C ATOM 2239 O GLY B 45 22.451 10.046 18.368 1.00 3.23 O ATOM 0 H GLY B 45 18.944 8.567 19.649 1.00 2.81 H new ATOM 0 HA2 GLY B 45 19.841 10.733 17.891 1.00 3.10 H new ATOM 0 HA3 GLY B 45 20.175 10.512 19.597 1.00 3.10 H new ATOM 2242 N GLU B 46 21.455 8.063 17.974 1.00 2.17 N ATOM 2243 CA GLU B 46 22.623 7.180 18.049 1.00 2.54 C ATOM 2244 C GLU B 46 22.689 6.193 16.870 1.00 2.64 C ATOM 2245 O GLU B 46 23.705 6.158 16.195 1.00 3.78 O ATOM 2246 CB GLU B 46 22.664 6.494 19.430 1.00 3.28 C ATOM 2247 CG GLU B 46 21.542 5.488 19.734 1.00 3.58 C ATOM 2248 CD GLU B 46 20.149 6.077 19.541 1.00 3.65 C ATOM 2249 OE1 GLU B 46 19.664 6.807 20.427 1.00 3.89 O ATOM 2250 OE2 GLU B 46 19.617 5.965 18.413 1.00 4.36 O ATOM 0 H GLU B 46 20.621 7.582 17.637 1.00 2.17 H new ATOM 0 HA GLU B 46 23.527 7.781 17.952 1.00 2.54 H new ATOM 0 HB2 GLU B 46 23.619 5.978 19.525 1.00 3.28 H new ATOM 0 HB3 GLU B 46 22.643 7.269 20.196 1.00 3.28 H new ATOM 0 HG2 GLU B 46 21.656 4.618 19.087 1.00 3.58 H new ATOM 0 HG3 GLU B 46 21.644 5.137 20.761 1.00 3.58 H new ATOM 2257 N MET B 47 21.605 5.476 16.537 1.00 2.06 N ATOM 2258 CA MET B 47 21.482 4.733 15.270 1.00 2.45 C ATOM 2259 C MET B 47 21.434 5.679 14.067 1.00 2.30 C ATOM 2260 O MET B 47 21.860 5.348 12.967 1.00 3.29 O ATOM 2261 CB MET B 47 20.192 3.895 15.256 1.00 3.01 C ATOM 2262 CG MET B 47 20.323 2.516 15.906 1.00 3.95 C ATOM 2263 SD MET B 47 20.367 2.459 17.716 1.00 4.49 S ATOM 2264 CE MET B 47 18.639 2.869 18.073 1.00 3.89 C ATOM 0 H MET B 47 20.786 5.394 17.139 1.00 2.06 H new ATOM 0 HA MET B 47 22.359 4.089 15.198 1.00 2.45 H new ATOM 0 HB2 MET B 47 19.407 4.451 15.769 1.00 3.01 H new ATOM 0 HB3 MET B 47 19.869 3.766 14.223 1.00 3.01 H new ATOM 0 HG2 MET B 47 19.488 1.902 15.568 1.00 3.95 H new ATOM 0 HG3 MET B 47 21.234 2.050 15.530 1.00 3.95 H new ATOM 0 HE1 MET B 47 18.600 3.717 18.757 1.00 3.89 H new ATOM 0 HE2 MET B 47 18.127 3.127 17.146 1.00 3.89 H new ATOM 0 HE3 MET B 47 18.148 2.010 18.531 1.00 3.89 H new ATOM 2274 N LYS B 48 20.851 6.867 14.249 1.00 2.28 N ATOM 2275 CA LYS B 48 20.681 7.871 13.187 1.00 3.31 C ATOM 2276 C LYS B 48 21.979 8.678 12.906 1.00 2.87 C ATOM 2277 O LYS B 48 21.979 9.907 12.979 1.00 3.60 O ATOM 2278 CB LYS B 48 19.439 8.710 13.480 1.00 4.78 C ATOM 2279 CG LYS B 48 18.207 7.939 13.005 1.00 5.69 C ATOM 2280 CD LYS B 48 16.922 8.374 13.682 1.00 7.48 C ATOM 2281 CE LYS B 48 16.457 9.825 13.467 1.00 8.90 C ATOM 2282 NZ LYS B 48 15.273 10.149 14.313 1.00 10.84 N ATOM 0 H LYS B 48 20.477 7.166 15.150 1.00 2.28 H new ATOM 0 HA LYS B 48 20.502 7.370 12.236 1.00 3.31 H new ATOM 0 HB2 LYS B 48 19.366 8.919 14.547 1.00 4.78 H new ATOM 0 HB3 LYS B 48 19.503 9.672 12.971 1.00 4.78 H new ATOM 0 HG2 LYS B 48 18.102 8.067 11.928 1.00 5.69 H new ATOM 0 HG3 LYS B 48 18.362 6.875 13.186 1.00 5.69 H new ATOM 0 HD2 LYS B 48 16.124 7.712 13.344 1.00 7.48 H new ATOM 0 HD3 LYS B 48 17.037 8.214 14.754 1.00 7.48 H new ATOM 0 HE2 LYS B 48 17.273 10.509 13.703 1.00 8.90 H new ATOM 0 HE3 LYS B 48 16.208 9.977 12.417 1.00 8.90 H new ATOM 0 HZ1 LYS B 48 14.871 11.060 14.014 1.00 10.84 H new ATOM 0 HZ2 LYS B 48 14.556 9.403 14.207 1.00 10.84 H new ATOM 0 HZ3 LYS B 48 15.565 10.210 15.309 1.00 10.84 H new ATOM 2296 N GLU B 49 23.077 7.972 12.624 1.00 2.28 N ATOM 2297 CA GLU B 49 24.419 8.533 12.409 1.00 2.42 C ATOM 2298 C GLU B 49 24.572 9.332 11.099 1.00 2.21 C ATOM 2299 O GLU B 49 23.682 9.357 10.249 1.00 2.64 O ATOM 2300 CB GLU B 49 25.465 7.401 12.423 1.00 3.25 C ATOM 2301 CG GLU B 49 25.540 6.660 13.754 1.00 4.16 C ATOM 2302 CD GLU B 49 26.868 5.920 13.851 1.00 5.59 C ATOM 2303 OE1 GLU B 49 27.871 6.601 14.160 1.00 6.29 O ATOM 2304 OE2 GLU B 49 26.888 4.710 13.533 1.00 6.55 O ATOM 0 H GLU B 49 23.058 6.956 12.535 1.00 2.28 H new ATOM 0 HA GLU B 49 24.578 9.237 13.226 1.00 2.42 H new ATOM 0 HB2 GLU B 49 25.229 6.689 11.632 1.00 3.25 H new ATOM 0 HB3 GLU B 49 26.445 7.819 12.193 1.00 3.25 H new ATOM 0 HG2 GLU B 49 25.443 7.364 14.580 1.00 4.16 H new ATOM 0 HG3 GLU B 49 24.712 5.956 13.837 1.00 4.16 H new ATOM 2311 N SER B 50 25.754 9.918 10.885 1.00 2.53 N ATOM 2312 CA SER B 50 26.192 10.770 9.759 1.00 2.83 C ATOM 2313 C SER B 50 26.067 10.187 8.329 1.00 2.74 C ATOM 2314 O SER B 50 26.636 10.735 7.393 1.00 4.02 O ATOM 2315 CB SER B 50 27.657 11.173 10.022 1.00 3.89 C ATOM 2316 OG SER B 50 27.838 11.679 11.337 1.00 4.81 O ATOM 0 H SER B 50 26.509 9.800 11.561 1.00 2.53 H new ATOM 0 HA SER B 50 25.496 11.609 9.748 1.00 2.83 H new ATOM 0 HB2 SER B 50 28.304 10.308 9.873 1.00 3.89 H new ATOM 0 HB3 SER B 50 27.962 11.928 9.297 1.00 3.89 H new ATOM 0 HG SER B 50 28.778 11.922 11.467 1.00 4.81 H new ATOM 2322 N SER B 51 25.340 9.090 8.122 1.00 2.04 N ATOM 2323 CA SER B 51 24.868 8.653 6.795 1.00 2.06 C ATOM 2324 C SER B 51 23.375 8.932 6.563 1.00 1.73 C ATOM 2325 O SER B 51 22.942 8.965 5.415 1.00 2.03 O ATOM 2326 CB SER B 51 25.157 7.164 6.622 1.00 2.47 C ATOM 2327 OG SER B 51 26.552 6.959 6.729 1.00 3.42 O ATOM 0 H SER B 51 25.055 8.467 8.877 1.00 2.04 H new ATOM 0 HA SER B 51 25.410 9.236 6.050 1.00 2.06 H new ATOM 0 HB2 SER B 51 24.631 6.586 7.381 1.00 2.47 H new ATOM 0 HB3 SER B 51 24.797 6.819 5.653 1.00 2.47 H new ATOM 0 HG SER B 51 26.752 6.006 6.621 1.00 3.42 H new ATOM 2333 N ILE B 52 22.578 9.176 7.615 1.00 1.43 N ATOM 2334 CA ILE B 52 21.206 9.698 7.458 1.00 1.27 C ATOM 2335 C ILE B 52 21.189 11.226 7.398 1.00 1.05 C ATOM 2336 O ILE B 52 20.217 11.803 6.915 1.00 1.10 O ATOM 2337 CB ILE B 52 20.233 9.138 8.527 1.00 1.44 C ATOM 2338 CG1 ILE B 52 20.321 9.809 9.917 1.00 1.72 C ATOM 2339 CG2 ILE B 52 20.407 7.612 8.668 1.00 1.85 C ATOM 2340 CD1 ILE B 52 19.340 10.973 10.123 1.00 1.97 C ATOM 0 H ILE B 52 22.857 9.021 8.584 1.00 1.43 H new ATOM 0 HA ILE B 52 20.837 9.337 6.498 1.00 1.27 H new ATOM 0 HB ILE B 52 19.239 9.380 8.152 1.00 1.44 H new ATOM 0 HG12 ILE B 52 20.138 9.055 10.683 1.00 1.72 H new ATOM 0 HG13 ILE B 52 21.337 10.175 10.067 1.00 1.72 H new ATOM 0 HG21 ILE B 52 19.716 7.235 9.423 1.00 1.85 H new ATOM 0 HG22 ILE B 52 20.197 7.132 7.712 1.00 1.85 H new ATOM 0 HG23 ILE B 52 21.431 7.389 8.969 1.00 1.85 H new ATOM 0 HD11 ILE B 52 19.469 11.385 11.124 1.00 1.97 H new ATOM 0 HD12 ILE B 52 19.535 11.749 9.383 1.00 1.97 H new ATOM 0 HD13 ILE B 52 18.318 10.612 10.009 1.00 1.97 H new ATOM 2352 N ASP B 53 22.244 11.899 7.872 1.00 1.04 N ATOM 2353 CA ASP B 53 22.321 13.361 7.812 1.00 1.12 C ATOM 2354 C ASP B 53 22.626 13.894 6.400 1.00 1.03 C ATOM 2355 O ASP B 53 22.289 15.032 6.080 1.00 1.08 O ATOM 2356 CB ASP B 53 23.266 13.932 8.880 1.00 1.62 C ATOM 2357 CG ASP B 53 22.875 15.380 9.214 1.00 2.33 C ATOM 2358 OD1 ASP B 53 21.789 15.557 9.821 1.00 3.48 O ATOM 2359 OD2 ASP B 53 23.638 16.304 8.867 1.00 2.69 O ATOM 0 H ASP B 53 23.055 11.454 8.301 1.00 1.04 H new ATOM 0 HA ASP B 53 21.323 13.728 8.049 1.00 1.12 H new ATOM 0 HB2 ASP B 53 23.222 13.319 9.780 1.00 1.62 H new ATOM 0 HB3 ASP B 53 24.295 13.899 8.521 1.00 1.62 H new ATOM 2364 N ASP B 54 23.146 13.062 5.488 1.00 1.03 N ATOM 2365 CA ASP B 54 23.148 13.434 4.070 1.00 1.06 C ATOM 2366 C ASP B 54 21.714 13.499 3.518 1.00 0.86 C ATOM 2367 O ASP B 54 21.402 14.381 2.721 1.00 0.90 O ATOM 2368 CB ASP B 54 24.025 12.507 3.219 1.00 1.35 C ATOM 2369 CG ASP B 54 24.382 13.232 1.916 1.00 1.76 C ATOM 2370 OD1 ASP B 54 23.542 13.320 0.989 1.00 2.00 O ATOM 2371 OD2 ASP B 54 25.459 13.867 1.869 1.00 2.97 O ATOM 0 H ASP B 54 23.559 12.153 5.698 1.00 1.03 H new ATOM 0 HA ASP B 54 23.589 14.429 4.005 1.00 1.06 H new ATOM 0 HB2 ASP B 54 24.931 12.238 3.763 1.00 1.35 H new ATOM 0 HB3 ASP B 54 23.496 11.579 3.003 1.00 1.35 H new ATOM 2376 N LEU B 55 20.794 12.666 4.015 1.00 0.77 N ATOM 2377 CA LEU B 55 19.376 12.789 3.678 1.00 0.71 C ATOM 2378 C LEU B 55 18.802 14.091 4.267 1.00 0.69 C ATOM 2379 O LEU B 55 18.135 14.844 3.556 1.00 0.71 O ATOM 2380 CB LEU B 55 18.591 11.540 4.124 1.00 0.69 C ATOM 2381 CG LEU B 55 19.210 10.175 3.790 1.00 0.87 C ATOM 2382 CD1 LEU B 55 18.316 9.063 4.355 1.00 0.87 C ATOM 2383 CD2 LEU B 55 19.406 9.988 2.276 1.00 1.07 C ATOM 0 H LEU B 55 21.008 11.899 4.653 1.00 0.77 H new ATOM 0 HA LEU B 55 19.271 12.848 2.595 1.00 0.71 H new ATOM 0 HB2 LEU B 55 18.452 11.594 5.204 1.00 0.69 H new ATOM 0 HB3 LEU B 55 17.600 11.583 3.672 1.00 0.69 H new ATOM 0 HG LEU B 55 20.198 10.126 4.249 1.00 0.87 H new ATOM 0 HD11 LEU B 55 18.751 8.092 4.120 1.00 0.87 H new ATOM 0 HD12 LEU B 55 18.237 9.174 5.437 1.00 0.87 H new ATOM 0 HD13 LEU B 55 17.323 9.133 3.910 1.00 0.87 H new ATOM 0 HD21 LEU B 55 19.846 9.009 2.084 1.00 1.07 H new ATOM 0 HD22 LEU B 55 18.441 10.057 1.773 1.00 1.07 H new ATOM 0 HD23 LEU B 55 20.070 10.765 1.896 1.00 1.07 H new ATOM 2395 N MET B 56 19.150 14.428 5.515 1.00 0.75 N ATOM 2396 CA MET B 56 18.800 15.712 6.158 1.00 0.84 C ATOM 2397 C MET B 56 19.259 16.932 5.338 1.00 0.93 C ATOM 2398 O MET B 56 18.519 17.910 5.215 1.00 1.09 O ATOM 2399 CB MET B 56 19.432 15.758 7.558 1.00 1.03 C ATOM 2400 CG MET B 56 18.796 14.814 8.575 1.00 1.16 C ATOM 2401 SD MET B 56 17.299 15.489 9.318 1.00 1.54 S ATOM 2402 CE MET B 56 16.076 14.506 8.447 1.00 2.11 C ATOM 0 H MET B 56 19.691 13.811 6.120 1.00 0.75 H new ATOM 0 HA MET B 56 17.713 15.765 6.223 1.00 0.84 H new ATOM 0 HB2 MET B 56 20.492 15.517 7.472 1.00 1.03 H new ATOM 0 HB3 MET B 56 19.367 16.777 7.938 1.00 1.03 H new ATOM 0 HG2 MET B 56 18.559 13.869 8.087 1.00 1.16 H new ATOM 0 HG3 MET B 56 19.519 14.595 9.361 1.00 1.16 H new ATOM 0 HE1 MET B 56 15.133 14.530 8.994 1.00 2.11 H new ATOM 0 HE2 MET B 56 15.926 14.914 7.447 1.00 2.11 H new ATOM 0 HE3 MET B 56 16.425 13.476 8.370 1.00 2.11 H new ATOM 2412 N LYS B 57 20.466 16.900 4.771 1.00 0.95 N ATOM 2413 CA LYS B 57 21.013 17.923 3.867 1.00 1.09 C ATOM 2414 C LYS B 57 20.546 17.775 2.398 1.00 1.04 C ATOM 2415 O LYS B 57 20.559 18.737 1.639 1.00 1.25 O ATOM 2416 CB LYS B 57 22.519 18.098 4.186 1.00 1.33 C ATOM 2417 CG LYS B 57 23.457 18.294 2.998 1.00 1.76 C ATOM 2418 CD LYS B 57 23.700 16.932 2.355 1.00 3.38 C ATOM 2419 CE LYS B 57 24.086 17.096 0.891 1.00 5.33 C ATOM 2420 NZ LYS B 57 24.479 15.790 0.314 1.00 7.03 N ATOM 0 H LYS B 57 21.118 16.132 4.933 1.00 0.95 H new ATOM 0 HA LYS B 57 20.580 18.906 4.053 1.00 1.09 H new ATOM 0 HB2 LYS B 57 22.628 18.956 4.850 1.00 1.33 H new ATOM 0 HB3 LYS B 57 22.853 17.221 4.741 1.00 1.33 H new ATOM 0 HG2 LYS B 57 23.018 18.983 2.276 1.00 1.76 H new ATOM 0 HG3 LYS B 57 24.399 18.734 3.326 1.00 1.76 H new ATOM 0 HD2 LYS B 57 24.492 16.407 2.889 1.00 3.38 H new ATOM 0 HD3 LYS B 57 22.801 16.320 2.434 1.00 3.38 H new ATOM 0 HE2 LYS B 57 23.248 17.511 0.331 1.00 5.33 H new ATOM 0 HE3 LYS B 57 24.910 17.803 0.802 1.00 5.33 H new ATOM 0 HZ1 LYS B 57 24.852 15.933 -0.646 1.00 7.03 H new ATOM 0 HZ2 LYS B 57 25.212 15.354 0.909 1.00 7.03 H new ATOM 0 HZ3 LYS B 57 23.649 15.165 0.273 1.00 7.03 H new ATOM 2434 N SER B 58 20.026 16.620 1.984 1.00 0.91 N ATOM 2435 CA SER B 58 19.359 16.442 0.684 1.00 1.03 C ATOM 2436 C SER B 58 17.937 17.030 0.622 1.00 1.19 C ATOM 2437 O SER B 58 17.478 17.413 -0.458 1.00 1.46 O ATOM 2438 CB SER B 58 19.379 14.968 0.274 1.00 1.08 C ATOM 2439 OG SER B 58 19.209 14.851 -1.127 1.00 1.87 O ATOM 0 H SER B 58 20.054 15.768 2.545 1.00 0.91 H new ATOM 0 HA SER B 58 19.934 17.021 -0.039 1.00 1.03 H new ATOM 0 HB2 SER B 58 20.323 14.512 0.573 1.00 1.08 H new ATOM 0 HB3 SER B 58 18.586 14.428 0.791 1.00 1.08 H new ATOM 0 HG SER B 58 19.225 13.904 -1.381 1.00 1.87 H new ATOM 2445 N LEU B 59 17.275 17.186 1.776 1.00 1.14 N ATOM 2446 CA LEU B 59 16.086 18.036 1.943 1.00 1.34 C ATOM 2447 C LEU B 59 16.479 19.510 1.894 1.00 1.53 C ATOM 2448 O LEU B 59 15.921 20.281 1.120 1.00 1.87 O ATOM 2449 CB LEU B 59 15.438 17.684 3.298 1.00 1.25 C ATOM 2450 CG LEU B 59 14.842 16.269 3.375 1.00 1.17 C ATOM 2451 CD1 LEU B 59 14.223 16.070 4.763 1.00 1.17 C ATOM 2452 CD2 LEU B 59 13.818 16.005 2.262 1.00 1.24 C ATOM 0 H LEU B 59 17.555 16.716 2.637 1.00 1.14 H new ATOM 0 HA LEU B 59 15.375 17.860 1.136 1.00 1.34 H new ATOM 0 HB2 LEU B 59 16.187 17.792 4.083 1.00 1.25 H new ATOM 0 HB3 LEU B 59 14.650 18.408 3.508 1.00 1.25 H new ATOM 0 HG LEU B 59 15.642 15.545 3.222 1.00 1.17 H new ATOM 0 HD11 LEU B 59 13.796 15.069 4.831 1.00 1.17 H new ATOM 0 HD12 LEU B 59 14.993 16.189 5.525 1.00 1.17 H new ATOM 0 HD13 LEU B 59 13.439 16.810 4.921 1.00 1.17 H new ATOM 0 HD21 LEU B 59 13.427 14.992 2.360 1.00 1.24 H new ATOM 0 HD22 LEU B 59 12.999 16.720 2.344 1.00 1.24 H new ATOM 0 HD23 LEU B 59 14.300 16.115 1.291 1.00 1.24 H new ATOM 2464 N ASP B 60 17.489 19.888 2.676 1.00 1.41 N ATOM 2465 CA ASP B 60 18.016 21.256 2.760 1.00 1.64 C ATOM 2466 C ASP B 60 18.631 21.785 1.442 1.00 1.75 C ATOM 2467 O ASP B 60 18.788 22.984 1.251 1.00 2.09 O ATOM 2468 CB ASP B 60 19.015 21.328 3.927 1.00 1.65 C ATOM 2469 CG ASP B 60 18.717 22.441 4.949 1.00 2.06 C ATOM 2470 OD1 ASP B 60 18.159 23.503 4.593 1.00 3.16 O ATOM 2471 OD2 ASP B 60 18.968 22.159 6.145 1.00 2.36 O ATOM 0 H ASP B 60 17.980 19.235 3.287 1.00 1.41 H new ATOM 0 HA ASP B 60 17.173 21.922 2.944 1.00 1.64 H new ATOM 0 HB2 ASP B 60 19.021 20.368 4.444 1.00 1.65 H new ATOM 0 HB3 ASP B 60 20.016 21.480 3.524 1.00 1.65 H new ATOM 2476 N LYS B 61 18.913 20.906 0.476 1.00 1.63 N ATOM 2477 CA LYS B 61 19.244 21.240 -0.912 1.00 1.89 C ATOM 2478 C LYS B 61 18.201 22.108 -1.649 1.00 2.20 C ATOM 2479 O LYS B 61 18.515 22.766 -2.632 1.00 2.68 O ATOM 2480 CB LYS B 61 19.367 19.906 -1.592 1.00 1.82 C ATOM 2481 CG LYS B 61 19.919 19.953 -3.022 1.00 2.57 C ATOM 2482 CD LYS B 61 20.351 18.536 -3.414 1.00 3.58 C ATOM 2483 CE LYS B 61 19.317 17.491 -2.979 1.00 4.63 C ATOM 2484 NZ LYS B 61 18.009 17.618 -3.667 1.00 5.81 N ATOM 0 H LYS B 61 18.917 19.900 0.647 1.00 1.63 H new ATOM 0 HA LYS B 61 20.147 21.850 -0.931 1.00 1.89 H new ATOM 0 HB2 LYS B 61 20.014 19.267 -0.990 1.00 1.82 H new ATOM 0 HB3 LYS B 61 18.384 19.435 -1.614 1.00 1.82 H new ATOM 0 HG2 LYS B 61 19.160 20.323 -3.711 1.00 2.57 H new ATOM 0 HG3 LYS B 61 20.764 20.638 -3.081 1.00 2.57 H new ATOM 0 HD2 LYS B 61 20.491 18.483 -4.494 1.00 3.58 H new ATOM 0 HD3 LYS B 61 21.314 18.309 -2.956 1.00 3.58 H new ATOM 0 HE2 LYS B 61 19.720 16.496 -3.166 1.00 4.63 H new ATOM 0 HE3 LYS B 61 19.161 17.575 -1.904 1.00 4.63 H new ATOM 0 HZ1 LYS B 61 17.301 17.035 -3.177 1.00 5.81 H new ATOM 0 HZ2 LYS B 61 17.706 18.613 -3.656 1.00 5.81 H new ATOM 0 HZ3 LYS B 61 18.102 17.295 -4.651 1.00 5.81 H new ATOM 2498 N ASN B 62 16.939 22.014 -1.233 1.00 2.11 N ATOM 2499 CA ASN B 62 15.751 22.504 -1.946 1.00 2.74 C ATOM 2500 C ASN B 62 14.804 23.223 -0.962 1.00 2.70 C ATOM 2501 O ASN B 62 13.582 23.158 -1.054 1.00 3.93 O ATOM 2502 CB ASN B 62 15.100 21.293 -2.648 1.00 3.04 C ATOM 2503 CG ASN B 62 15.809 20.936 -3.951 1.00 3.17 C ATOM 2504 OD1 ASN B 62 16.588 19.992 -4.027 1.00 3.34 O ATOM 2505 ND2 ASN B 62 15.562 21.688 -5.004 1.00 3.48 N ATOM 0 H ASN B 62 16.701 21.572 -0.345 1.00 2.11 H new ATOM 0 HA ASN B 62 16.008 23.244 -2.704 1.00 2.74 H new ATOM 0 HB2 ASN B 62 15.119 20.433 -1.978 1.00 3.04 H new ATOM 0 HB3 ASN B 62 14.053 21.514 -2.854 1.00 3.04 H new ATOM 0 HD21 ASN B 62 16.020 21.487 -5.893 1.00 3.48 H new ATOM 0 HD22 ASN B 62 14.912 22.471 -4.930 1.00 3.48 H new ATOM 2512 N SER B 63 15.381 23.824 0.075 1.00 1.81 N ATOM 2513 CA SER B 63 14.957 23.602 1.460 1.00 1.82 C ATOM 2514 C SER B 63 13.555 24.049 1.850 1.00 1.73 C ATOM 2515 O SER B 63 12.944 23.440 2.723 1.00 1.94 O ATOM 2516 CB SER B 63 15.933 24.310 2.398 1.00 1.90 C ATOM 2517 OG SER B 63 16.173 25.662 2.044 1.00 2.50 O ATOM 0 H SER B 63 16.157 24.480 -0.018 1.00 1.81 H new ATOM 0 HA SER B 63 14.948 22.516 1.550 1.00 1.82 H new ATOM 0 HB2 SER B 63 15.541 24.272 3.414 1.00 1.90 H new ATOM 0 HB3 SER B 63 16.879 23.769 2.401 1.00 1.90 H new ATOM 0 HG SER B 63 15.402 26.209 2.302 1.00 2.50 H new ATOM 2523 N ASP B 64 13.054 25.109 1.231 1.00 1.60 N ATOM 2524 CA ASP B 64 11.921 25.894 1.726 1.00 1.58 C ATOM 2525 C ASP B 64 10.782 25.875 0.701 1.00 1.54 C ATOM 2526 O ASP B 64 9.792 26.590 0.794 1.00 1.90 O ATOM 2527 CB ASP B 64 12.422 27.272 2.185 1.00 1.69 C ATOM 2528 CG ASP B 64 13.309 27.093 3.429 1.00 2.43 C ATOM 2529 OD1 ASP B 64 12.771 26.697 4.485 1.00 3.33 O ATOM 2530 OD2 ASP B 64 14.554 27.207 3.306 1.00 2.96 O ATOM 0 H ASP B 64 13.430 25.459 0.350 1.00 1.60 H new ATOM 0 HA ASP B 64 11.472 25.455 2.617 1.00 1.58 H new ATOM 0 HB2 ASP B 64 12.986 27.753 1.386 1.00 1.69 H new ATOM 0 HB3 ASP B 64 11.578 27.922 2.415 1.00 1.69 H new ATOM 2535 N GLN B 65 10.919 24.955 -0.250 1.00 1.50 N ATOM 2536 CA GLN B 65 9.868 24.427 -1.087 1.00 1.46 C ATOM 2537 C GLN B 65 8.977 23.476 -0.289 1.00 1.27 C ATOM 2538 O GLN B 65 9.478 22.723 0.550 1.00 1.38 O ATOM 2539 CB GLN B 65 10.523 23.583 -2.170 1.00 1.64 C ATOM 2540 CG GLN B 65 11.384 24.352 -3.181 1.00 2.17 C ATOM 2541 CD GLN B 65 12.050 23.397 -4.163 1.00 2.78 C ATOM 2542 OE1 GLN B 65 13.258 23.386 -4.353 1.00 3.03 O ATOM 2543 NE2 GLN B 65 11.301 22.541 -4.833 1.00 3.79 N ATOM 0 H GLN B 65 11.826 24.539 -0.462 1.00 1.50 H new ATOM 0 HA GLN B 65 9.281 25.255 -1.485 1.00 1.46 H new ATOM 0 HB2 GLN B 65 11.146 22.828 -1.690 1.00 1.64 H new ATOM 0 HB3 GLN B 65 9.742 23.053 -2.715 1.00 1.64 H new ATOM 0 HG2 GLN B 65 10.764 25.065 -3.724 1.00 2.17 H new ATOM 0 HG3 GLN B 65 12.145 24.927 -2.654 1.00 2.17 H new ATOM 0 HE21 GLN B 65 10.291 22.529 -4.693 1.00 3.79 H new ATOM 0 HE22 GLN B 65 11.733 21.891 -5.490 1.00 3.79 H new ATOM 2552 N GLU B 66 7.690 23.436 -0.621 1.00 1.15 N ATOM 2553 CA GLU B 66 6.757 22.506 0.003 1.00 1.03 C ATOM 2554 C GLU B 66 6.852 21.071 -0.544 1.00 1.27 C ATOM 2555 O GLU B 66 7.190 20.840 -1.707 1.00 1.64 O ATOM 2556 CB GLU B 66 5.313 23.015 -0.110 1.00 1.05 C ATOM 2557 CG GLU B 66 5.003 24.267 0.730 1.00 1.11 C ATOM 2558 CD GLU B 66 3.516 24.649 0.686 1.00 1.93 C ATOM 2559 OE1 GLU B 66 2.718 23.891 0.092 1.00 2.74 O ATOM 2560 OE2 GLU B 66 3.143 25.685 1.280 1.00 2.84 O ATOM 0 H GLU B 66 7.268 24.042 -1.324 1.00 1.15 H new ATOM 0 HA GLU B 66 7.049 22.461 1.052 1.00 1.03 H new ATOM 0 HB2 GLU B 66 5.101 23.235 -1.156 1.00 1.05 H new ATOM 0 HB3 GLU B 66 4.636 22.216 0.191 1.00 1.05 H new ATOM 0 HG2 GLU B 66 5.299 24.090 1.764 1.00 1.11 H new ATOM 0 HG3 GLU B 66 5.601 25.103 0.366 1.00 1.11 H new ATOM 2567 N ILE B 67 6.509 20.109 0.311 1.00 1.14 N ATOM 2568 CA ILE B 67 6.360 18.675 0.033 1.00 1.26 C ATOM 2569 C ILE B 67 5.096 18.120 0.681 1.00 1.13 C ATOM 2570 O ILE B 67 4.611 18.652 1.680 1.00 0.99 O ATOM 2571 CB ILE B 67 7.573 17.853 0.533 1.00 1.37 C ATOM 2572 CG1 ILE B 67 8.252 18.438 1.790 1.00 1.60 C ATOM 2573 CG2 ILE B 67 8.550 17.671 -0.622 1.00 2.26 C ATOM 2574 CD1 ILE B 67 9.358 17.548 2.348 1.00 1.67 C ATOM 0 H ILE B 67 6.313 20.324 1.289 1.00 1.14 H new ATOM 0 HA ILE B 67 6.295 18.580 -1.051 1.00 1.26 H new ATOM 0 HB ILE B 67 7.207 16.880 0.861 1.00 1.37 H new ATOM 0 HG12 ILE B 67 8.669 19.415 1.547 1.00 1.60 H new ATOM 0 HG13 ILE B 67 7.498 18.596 2.561 1.00 1.60 H new ATOM 0 HG21 ILE B 67 9.410 17.093 -0.283 1.00 2.26 H new ATOM 0 HG22 ILE B 67 8.056 17.142 -1.437 1.00 2.26 H new ATOM 0 HG23 ILE B 67 8.884 18.647 -0.973 1.00 2.26 H new ATOM 0 HD11 ILE B 67 9.793 18.018 3.230 1.00 1.67 H new ATOM 0 HD12 ILE B 67 8.942 16.578 2.621 1.00 1.67 H new ATOM 0 HD13 ILE B 67 10.131 17.411 1.592 1.00 1.67 H new ATOM 2586 N ASP B 68 4.606 17.009 0.128 1.00 1.33 N ATOM 2587 CA ASP B 68 3.499 16.226 0.674 1.00 1.45 C ATOM 2588 C ASP B 68 3.975 14.883 1.265 1.00 1.21 C ATOM 2589 O ASP B 68 5.169 14.590 1.379 1.00 1.20 O ATOM 2590 CB ASP B 68 2.402 16.047 -0.402 1.00 2.01 C ATOM 2591 CG ASP B 68 2.511 14.768 -1.253 1.00 1.80 C ATOM 2592 OD1 ASP B 68 3.616 14.378 -1.693 1.00 1.84 O ATOM 2593 OD2 ASP B 68 1.469 14.136 -1.525 1.00 2.66 O ATOM 0 H ASP B 68 4.980 16.619 -0.737 1.00 1.33 H new ATOM 0 HA ASP B 68 3.064 16.775 1.509 1.00 1.45 H new ATOM 0 HB2 ASP B 68 1.430 16.053 0.091 1.00 2.01 H new ATOM 0 HB3 ASP B 68 2.427 16.909 -1.068 1.00 2.01 H new ATOM 2598 N PHE B 69 2.995 14.034 1.587 1.00 1.23 N ATOM 2599 CA PHE B 69 3.176 12.709 2.159 1.00 1.13 C ATOM 2600 C PHE B 69 4.191 11.795 1.457 1.00 0.91 C ATOM 2601 O PHE B 69 4.747 10.952 2.145 1.00 0.86 O ATOM 2602 CB PHE B 69 1.832 11.974 2.154 1.00 1.41 C ATOM 2603 CG PHE B 69 0.654 12.696 2.758 1.00 1.30 C ATOM 2604 CD1 PHE B 69 0.511 12.758 4.157 1.00 2.16 C ATOM 2605 CD2 PHE B 69 -0.335 13.237 1.916 1.00 2.66 C ATOM 2606 CE1 PHE B 69 -0.641 13.333 4.714 1.00 3.04 C ATOM 2607 CE2 PHE B 69 -1.484 13.820 2.475 1.00 3.78 C ATOM 2608 CZ PHE B 69 -1.641 13.848 3.870 1.00 3.67 C ATOM 0 H PHE B 69 2.012 14.268 1.447 1.00 1.23 H new ATOM 0 HA PHE B 69 3.574 12.900 3.156 1.00 1.13 H new ATOM 0 HB2 PHE B 69 1.585 11.727 1.121 1.00 1.41 H new ATOM 0 HB3 PHE B 69 1.960 11.031 2.685 1.00 1.41 H new ATOM 0 HD1 PHE B 69 1.285 12.364 4.799 1.00 2.16 H new ATOM 0 HD2 PHE B 69 -0.211 13.204 0.844 1.00 2.66 H new ATOM 0 HE1 PHE B 69 -0.759 13.380 5.786 1.00 3.04 H new ATOM 0 HE2 PHE B 69 -2.243 14.245 1.835 1.00 3.78 H new ATOM 0 HZ PHE B 69 -2.538 14.269 4.299 1.00 3.67 H new ATOM 2618 N LYS B 70 4.437 11.878 0.140 1.00 0.90 N ATOM 2619 CA LYS B 70 5.291 10.898 -0.557 1.00 0.87 C ATOM 2620 C LYS B 70 6.760 11.079 -0.196 1.00 0.76 C ATOM 2621 O LYS B 70 7.406 10.118 0.221 1.00 0.78 O ATOM 2622 CB LYS B 70 5.126 11.006 -2.079 1.00 0.99 C ATOM 2623 CG LYS B 70 3.892 10.279 -2.645 1.00 1.55 C ATOM 2624 CD LYS B 70 2.756 11.274 -2.878 1.00 2.77 C ATOM 2625 CE LYS B 70 3.028 12.119 -4.132 1.00 3.22 C ATOM 2626 NZ LYS B 70 2.324 13.415 -4.049 1.00 4.68 N ATOM 0 H LYS B 70 4.060 12.609 -0.463 1.00 0.90 H new ATOM 0 HA LYS B 70 4.969 9.909 -0.230 1.00 0.87 H new ATOM 0 HB2 LYS B 70 5.066 12.060 -2.351 1.00 0.99 H new ATOM 0 HB3 LYS B 70 6.019 10.604 -2.557 1.00 0.99 H new ATOM 0 HG2 LYS B 70 4.150 9.784 -3.581 1.00 1.55 H new ATOM 0 HG3 LYS B 70 3.569 9.502 -1.952 1.00 1.55 H new ATOM 0 HD2 LYS B 70 1.813 10.738 -2.991 1.00 2.77 H new ATOM 0 HD3 LYS B 70 2.651 11.925 -2.010 1.00 2.77 H new ATOM 0 HE2 LYS B 70 4.100 12.287 -4.238 1.00 3.22 H new ATOM 0 HE3 LYS B 70 2.701 11.578 -5.020 1.00 3.22 H new ATOM 0 HZ1 LYS B 70 1.614 13.473 -4.806 1.00 4.68 H new ATOM 0 HZ2 LYS B 70 1.853 13.496 -3.125 1.00 4.68 H new ATOM 0 HZ3 LYS B 70 3.009 14.190 -4.157 1.00 4.68 H new ATOM 2640 N GLU B 71 7.271 12.303 -0.334 1.00 0.72 N ATOM 2641 CA GLU B 71 8.670 12.612 -0.036 1.00 0.62 C ATOM 2642 C GLU B 71 8.975 12.403 1.461 1.00 0.56 C ATOM 2643 O GLU B 71 10.097 12.114 1.852 1.00 0.72 O ATOM 2644 CB GLU B 71 9.019 14.024 -0.526 1.00 0.71 C ATOM 2645 CG GLU B 71 8.737 14.188 -2.037 1.00 1.08 C ATOM 2646 CD GLU B 71 9.820 14.995 -2.750 1.00 1.56 C ATOM 2647 OE1 GLU B 71 10.995 14.565 -2.735 1.00 2.13 O ATOM 2648 OE2 GLU B 71 9.516 16.096 -3.254 1.00 2.60 O ATOM 0 H GLU B 71 6.729 13.106 -0.654 1.00 0.72 H new ATOM 0 HA GLU B 71 9.312 11.918 -0.578 1.00 0.62 H new ATOM 0 HB2 GLU B 71 8.440 14.758 0.035 1.00 0.71 H new ATOM 0 HB3 GLU B 71 10.071 14.229 -0.327 1.00 0.71 H new ATOM 0 HG2 GLU B 71 8.660 13.203 -2.498 1.00 1.08 H new ATOM 0 HG3 GLU B 71 7.774 14.680 -2.172 1.00 1.08 H new ATOM 2655 N TYR B 72 7.930 12.474 2.286 1.00 0.59 N ATOM 2656 CA TYR B 72 7.911 12.064 3.695 1.00 0.59 C ATOM 2657 C TYR B 72 7.860 10.535 3.907 1.00 0.60 C ATOM 2658 O TYR B 72 8.672 9.999 4.656 1.00 0.60 O ATOM 2659 CB TYR B 72 6.699 12.767 4.328 1.00 0.60 C ATOM 2660 CG TYR B 72 6.214 12.255 5.677 1.00 0.64 C ATOM 2661 CD1 TYR B 72 7.081 12.244 6.785 1.00 2.10 C ATOM 2662 CD2 TYR B 72 4.866 11.874 5.852 1.00 2.09 C ATOM 2663 CE1 TYR B 72 6.590 11.985 8.075 1.00 2.11 C ATOM 2664 CE2 TYR B 72 4.364 11.633 7.140 1.00 2.13 C ATOM 2665 CZ TYR B 72 5.214 11.734 8.259 1.00 0.80 C ATOM 2666 OH TYR B 72 4.707 11.605 9.512 1.00 0.95 O ATOM 0 H TYR B 72 7.028 12.837 1.977 1.00 0.59 H new ATOM 0 HA TYR B 72 8.847 12.357 4.171 1.00 0.59 H new ATOM 0 HB2 TYR B 72 6.943 13.824 4.437 1.00 0.60 H new ATOM 0 HB3 TYR B 72 5.868 12.702 3.625 1.00 0.60 H new ATOM 0 HD1 TYR B 72 8.134 12.437 6.642 1.00 2.10 H new ATOM 0 HD2 TYR B 72 4.220 11.768 4.993 1.00 2.09 H new ATOM 0 HE1 TYR B 72 7.262 11.978 8.921 1.00 2.11 H new ATOM 0 HE2 TYR B 72 3.325 11.370 7.274 1.00 2.13 H new ATOM 0 HH TYR B 72 3.736 11.482 9.461 1.00 0.95 H new ATOM 2676 N SER B 73 6.960 9.801 3.250 1.00 0.65 N ATOM 2677 CA SER B 73 6.806 8.352 3.411 1.00 0.72 C ATOM 2678 C SER B 73 8.001 7.578 2.847 1.00 0.73 C ATOM 2679 O SER B 73 8.391 6.579 3.449 1.00 0.75 O ATOM 2680 CB SER B 73 5.476 7.849 2.835 1.00 0.87 C ATOM 2681 OG SER B 73 5.426 7.890 1.424 1.00 1.14 O ATOM 0 H SER B 73 6.306 10.203 2.579 1.00 0.65 H new ATOM 0 HA SER B 73 6.783 8.157 4.483 1.00 0.72 H new ATOM 0 HB2 SER B 73 5.308 6.825 3.168 1.00 0.87 H new ATOM 0 HB3 SER B 73 4.662 8.452 3.238 1.00 0.87 H new ATOM 0 HG SER B 73 6.040 8.579 1.095 1.00 1.14 H new ATOM 2687 N VAL B 74 8.641 8.066 1.772 1.00 0.74 N ATOM 2688 CA VAL B 74 9.927 7.537 1.300 1.00 0.75 C ATOM 2689 C VAL B 74 11.101 7.927 2.193 1.00 0.70 C ATOM 2690 O VAL B 74 12.011 7.121 2.305 1.00 0.72 O ATOM 2691 CB VAL B 74 10.283 7.884 -0.159 1.00 0.78 C ATOM 2692 CG1 VAL B 74 9.197 7.394 -1.116 1.00 0.86 C ATOM 2693 CG2 VAL B 74 10.634 9.361 -0.384 1.00 0.76 C ATOM 0 H VAL B 74 8.281 8.836 1.208 1.00 0.74 H new ATOM 0 HA VAL B 74 9.767 6.460 1.351 1.00 0.75 H new ATOM 0 HB VAL B 74 11.204 7.346 -0.383 1.00 0.78 H new ATOM 0 HG11 VAL B 74 9.471 7.651 -2.139 1.00 0.86 H new ATOM 0 HG12 VAL B 74 9.095 6.312 -1.028 1.00 0.86 H new ATOM 0 HG13 VAL B 74 8.249 7.869 -0.864 1.00 0.86 H new ATOM 0 HG21 VAL B 74 10.872 9.522 -1.435 1.00 0.76 H new ATOM 0 HG22 VAL B 74 9.784 9.984 -0.105 1.00 0.76 H new ATOM 0 HG23 VAL B 74 11.496 9.628 0.228 1.00 0.76 H new ATOM 2703 N PHE B 75 11.107 9.090 2.861 1.00 0.68 N ATOM 2704 CA PHE B 75 12.161 9.395 3.832 1.00 0.70 C ATOM 2705 C PHE B 75 12.007 8.522 5.080 1.00 0.70 C ATOM 2706 O PHE B 75 12.978 7.904 5.495 1.00 0.74 O ATOM 2707 CB PHE B 75 12.156 10.887 4.173 1.00 0.69 C ATOM 2708 CG PHE B 75 13.482 11.412 4.685 1.00 0.60 C ATOM 2709 CD1 PHE B 75 13.977 11.051 5.951 1.00 1.91 C ATOM 2710 CD2 PHE B 75 14.227 12.284 3.873 1.00 1.46 C ATOM 2711 CE1 PHE B 75 15.178 11.605 6.428 1.00 1.87 C ATOM 2712 CE2 PHE B 75 15.426 12.834 4.345 1.00 1.55 C ATOM 2713 CZ PHE B 75 15.886 12.523 5.634 1.00 0.65 C ATOM 0 H PHE B 75 10.406 9.822 2.748 1.00 0.68 H new ATOM 0 HA PHE B 75 13.130 9.164 3.390 1.00 0.70 H new ATOM 0 HB2 PHE B 75 11.874 11.450 3.284 1.00 0.69 H new ATOM 0 HB3 PHE B 75 11.389 11.074 4.925 1.00 0.69 H new ATOM 0 HD1 PHE B 75 13.432 10.345 6.560 1.00 1.91 H new ATOM 0 HD2 PHE B 75 13.874 12.531 2.882 1.00 1.46 H new ATOM 0 HE1 PHE B 75 15.555 11.326 7.401 1.00 1.87 H new ATOM 0 HE2 PHE B 75 15.998 13.499 3.715 1.00 1.55 H new ATOM 0 HZ PHE B 75 16.783 12.989 6.015 1.00 0.65 H new ATOM 2723 N LEU B 76 10.787 8.371 5.613 1.00 0.67 N ATOM 2724 CA LEU B 76 10.441 7.409 6.667 1.00 0.69 C ATOM 2725 C LEU B 76 10.841 5.977 6.302 1.00 0.67 C ATOM 2726 O LEU B 76 11.435 5.278 7.119 1.00 0.75 O ATOM 2727 CB LEU B 76 8.920 7.461 6.903 1.00 0.68 C ATOM 2728 CG LEU B 76 8.391 8.647 7.730 1.00 0.83 C ATOM 2729 CD1 LEU B 76 6.856 8.601 7.701 1.00 1.45 C ATOM 2730 CD2 LEU B 76 8.883 8.574 9.178 1.00 1.42 C ATOM 0 H LEU B 76 9.990 8.932 5.313 1.00 0.67 H new ATOM 0 HA LEU B 76 10.991 7.685 7.567 1.00 0.69 H new ATOM 0 HB2 LEU B 76 8.425 7.475 5.932 1.00 0.68 H new ATOM 0 HB3 LEU B 76 8.621 6.538 7.400 1.00 0.68 H new ATOM 0 HG LEU B 76 8.759 9.579 7.301 1.00 0.83 H new ATOM 0 HD11 LEU B 76 6.456 9.433 8.281 1.00 1.45 H new ATOM 0 HD12 LEU B 76 6.509 8.677 6.670 1.00 1.45 H new ATOM 0 HD13 LEU B 76 6.512 7.660 8.131 1.00 1.45 H new ATOM 0 HD21 LEU B 76 8.494 9.424 9.738 1.00 1.42 H new ATOM 0 HD22 LEU B 76 8.534 7.648 9.635 1.00 1.42 H new ATOM 0 HD23 LEU B 76 9.973 8.598 9.194 1.00 1.42 H new ATOM 2742 N THR B 77 10.551 5.547 5.069 1.00 0.63 N ATOM 2743 CA THR B 77 10.895 4.215 4.548 1.00 0.66 C ATOM 2744 C THR B 77 12.406 4.046 4.421 1.00 0.74 C ATOM 2745 O THR B 77 12.963 3.074 4.926 1.00 0.82 O ATOM 2746 CB THR B 77 10.173 3.986 3.218 1.00 0.67 C ATOM 2747 OG1 THR B 77 8.797 3.919 3.480 1.00 0.71 O ATOM 2748 CG2 THR B 77 10.608 2.702 2.522 1.00 0.77 C ATOM 0 H THR B 77 10.060 6.127 4.389 1.00 0.63 H new ATOM 0 HA THR B 77 10.559 3.455 5.253 1.00 0.66 H new ATOM 0 HB THR B 77 10.423 4.811 2.551 1.00 0.67 H new ATOM 0 HG1 THR B 77 8.409 4.817 3.420 1.00 0.71 H new ATOM 0 HG21 THR B 77 10.062 2.593 1.585 1.00 0.77 H new ATOM 0 HG22 THR B 77 11.678 2.744 2.316 1.00 0.77 H new ATOM 0 HG23 THR B 77 10.396 1.849 3.166 1.00 0.77 H new ATOM 2756 N MET B 78 13.074 5.014 3.797 1.00 0.75 N ATOM 2757 CA MET B 78 14.528 5.065 3.615 1.00 0.81 C ATOM 2758 C MET B 78 15.273 5.082 4.951 1.00 0.84 C ATOM 2759 O MET B 78 16.295 4.418 5.092 1.00 0.94 O ATOM 2760 CB MET B 78 14.850 6.296 2.759 1.00 0.79 C ATOM 2761 CG MET B 78 16.335 6.455 2.454 1.00 1.03 C ATOM 2762 SD MET B 78 16.735 7.506 1.031 1.00 1.31 S ATOM 2763 CE MET B 78 15.450 8.782 1.117 1.00 1.21 C ATOM 0 H MET B 78 12.600 5.819 3.387 1.00 0.75 H new ATOM 0 HA MET B 78 14.869 4.163 3.107 1.00 0.81 H new ATOM 0 HB2 MET B 78 14.300 6.230 1.820 1.00 0.79 H new ATOM 0 HB3 MET B 78 14.496 7.189 3.274 1.00 0.79 H new ATOM 0 HG2 MET B 78 16.827 6.866 3.336 1.00 1.03 H new ATOM 0 HG3 MET B 78 16.760 5.466 2.283 1.00 1.03 H new ATOM 0 HE1 MET B 78 15.693 9.590 0.427 1.00 1.21 H new ATOM 0 HE2 MET B 78 14.488 8.349 0.844 1.00 1.21 H new ATOM 0 HE3 MET B 78 15.395 9.175 2.132 1.00 1.21 H new ATOM 2773 N LEU B 79 14.737 5.790 5.946 1.00 0.80 N ATOM 2774 CA LEU B 79 15.264 5.841 7.305 1.00 0.88 C ATOM 2775 C LEU B 79 15.004 4.533 8.060 1.00 0.90 C ATOM 2776 O LEU B 79 15.913 4.007 8.693 1.00 1.01 O ATOM 2777 CB LEU B 79 14.634 7.058 8.005 1.00 0.91 C ATOM 2778 CG LEU B 79 15.283 7.407 9.350 1.00 1.31 C ATOM 2779 CD1 LEU B 79 16.758 7.788 9.150 1.00 1.39 C ATOM 2780 CD2 LEU B 79 14.519 8.571 9.993 1.00 2.51 C ATOM 0 H LEU B 79 13.900 6.359 5.822 1.00 0.80 H new ATOM 0 HA LEU B 79 16.348 5.954 7.287 1.00 0.88 H new ATOM 0 HB2 LEU B 79 14.705 7.922 7.344 1.00 0.91 H new ATOM 0 HB3 LEU B 79 13.573 6.864 8.164 1.00 0.91 H new ATOM 0 HG LEU B 79 15.240 6.537 10.006 1.00 1.31 H new ATOM 0 HD11 LEU B 79 17.204 8.033 10.114 1.00 1.39 H new ATOM 0 HD12 LEU B 79 17.293 6.949 8.705 1.00 1.39 H new ATOM 0 HD13 LEU B 79 16.824 8.652 8.489 1.00 1.39 H new ATOM 0 HD21 LEU B 79 14.977 8.823 10.950 1.00 2.51 H new ATOM 0 HD22 LEU B 79 14.556 9.438 9.334 1.00 2.51 H new ATOM 0 HD23 LEU B 79 13.481 8.280 10.153 1.00 2.51 H new ATOM 2792 N CYS B 80 13.805 3.960 7.955 1.00 0.84 N ATOM 2793 CA CYS B 80 13.489 2.657 8.546 1.00 0.89 C ATOM 2794 C CYS B 80 14.470 1.567 8.078 1.00 1.02 C ATOM 2795 O CYS B 80 14.993 0.825 8.904 1.00 1.20 O ATOM 2796 CB CYS B 80 12.023 2.347 8.217 1.00 0.79 C ATOM 2797 SG CYS B 80 11.568 0.675 8.748 1.00 0.94 S ATOM 0 H CYS B 80 13.023 4.386 7.457 1.00 0.84 H new ATOM 0 HA CYS B 80 13.610 2.682 9.629 1.00 0.89 H new ATOM 0 HB2 CYS B 80 11.376 3.075 8.707 1.00 0.79 H new ATOM 0 HB3 CYS B 80 11.860 2.447 7.144 1.00 0.79 H new ATOM 0 HG CYS B 80 10.322 0.451 8.455 1.00 0.94 H new ATOM 2803 N MET B 81 14.773 1.507 6.779 1.00 1.04 N ATOM 2804 CA MET B 81 15.774 0.588 6.214 1.00 1.25 C ATOM 2805 C MET B 81 17.234 0.979 6.496 1.00 1.31 C ATOM 2806 O MET B 81 18.128 0.225 6.131 1.00 1.32 O ATOM 2807 CB MET B 81 15.515 0.375 4.721 1.00 1.34 C ATOM 2808 CG MET B 81 15.888 1.589 3.863 1.00 2.38 C ATOM 2809 SD MET B 81 16.023 1.264 2.090 1.00 2.69 S ATOM 2810 CE MET B 81 17.338 0.025 2.177 1.00 3.16 C ATOM 0 H MET B 81 14.327 2.100 6.079 1.00 1.04 H new ATOM 0 HA MET B 81 15.646 -0.360 6.737 1.00 1.25 H new ATOM 0 HB2 MET B 81 16.083 -0.491 4.380 1.00 1.34 H new ATOM 0 HB3 MET B 81 14.461 0.143 4.571 1.00 1.34 H new ATOM 0 HG2 MET B 81 15.141 2.367 4.018 1.00 2.38 H new ATOM 0 HG3 MET B 81 16.839 1.986 4.217 1.00 2.38 H new ATOM 0 HE1 MET B 81 17.915 0.042 1.253 1.00 3.16 H new ATOM 0 HE2 MET B 81 17.994 0.249 3.018 1.00 3.16 H new ATOM 0 HE3 MET B 81 16.898 -0.963 2.312 1.00 3.16 H new ATOM 2820 N ALA B 82 17.486 2.133 7.121 1.00 1.45 N ATOM 2821 CA ALA B 82 18.827 2.537 7.543 1.00 1.59 C ATOM 2822 C ALA B 82 19.253 1.921 8.890 1.00 1.65 C ATOM 2823 O ALA B 82 20.422 2.044 9.244 1.00 1.82 O ATOM 2824 CB ALA B 82 18.918 4.071 7.563 1.00 1.62 C ATOM 0 H ALA B 82 16.762 2.814 7.348 1.00 1.45 H new ATOM 0 HA ALA B 82 19.535 2.144 6.814 1.00 1.59 H new ATOM 0 HB1 ALA B 82 19.917 4.372 7.877 1.00 1.62 H new ATOM 0 HB2 ALA B 82 18.719 4.460 6.565 1.00 1.62 H new ATOM 0 HB3 ALA B 82 18.182 4.470 8.261 1.00 1.62 H new ATOM 2830 N TYR B 83 18.340 1.264 9.629 1.00 1.60 N ATOM 2831 CA TYR B 83 18.648 0.639 10.929 1.00 1.75 C ATOM 2832 C TYR B 83 17.709 -0.508 11.394 1.00 1.91 C ATOM 2833 O TYR B 83 18.014 -1.128 12.410 1.00 2.13 O ATOM 2834 CB TYR B 83 18.831 1.735 12.010 1.00 1.76 C ATOM 2835 CG TYR B 83 17.691 2.726 12.161 1.00 1.68 C ATOM 2836 CD1 TYR B 83 16.446 2.283 12.654 1.00 2.23 C ATOM 2837 CD2 TYR B 83 17.864 4.091 11.829 1.00 2.40 C ATOM 2838 CE1 TYR B 83 15.362 3.174 12.760 1.00 2.13 C ATOM 2839 CE2 TYR B 83 16.772 4.973 11.899 1.00 2.56 C ATOM 2840 CZ TYR B 83 15.519 4.519 12.355 1.00 1.80 C ATOM 2841 OH TYR B 83 14.479 5.396 12.415 1.00 2.03 O ATOM 0 H TYR B 83 17.368 1.151 9.342 1.00 1.60 H new ATOM 0 HA TYR B 83 19.587 0.109 10.773 1.00 1.75 H new ATOM 0 HB2 TYR B 83 18.988 1.245 12.971 1.00 1.76 H new ATOM 0 HB3 TYR B 83 19.740 2.291 11.783 1.00 1.76 H new ATOM 0 HD1 TYR B 83 16.324 1.252 12.952 1.00 2.23 H new ATOM 0 HD2 TYR B 83 18.834 4.454 11.522 1.00 2.40 H new ATOM 0 HE1 TYR B 83 14.414 2.832 13.149 1.00 2.13 H new ATOM 0 HE2 TYR B 83 16.894 6.004 11.602 1.00 2.56 H new ATOM 0 HH TYR B 83 14.818 6.312 12.331 1.00 2.03 H new ATOM 2851 N ASN B 84 16.597 -0.826 10.710 1.00 2.04 N ATOM 2852 CA ASN B 84 15.757 -1.988 11.063 1.00 2.20 C ATOM 2853 C ASN B 84 16.069 -3.243 10.219 1.00 2.08 C ATOM 2854 O ASN B 84 15.793 -3.272 9.021 1.00 2.27 O ATOM 2855 CB ASN B 84 14.258 -1.658 10.932 1.00 2.65 C ATOM 2856 CG ASN B 84 13.763 -0.706 12.014 1.00 3.66 C ATOM 2857 OD1 ASN B 84 13.853 -0.982 13.199 1.00 4.57 O ATOM 2858 ND2 ASN B 84 13.191 0.422 11.637 1.00 4.00 N ATOM 0 H ASN B 84 16.257 -0.295 9.908 1.00 2.04 H new ATOM 0 HA ASN B 84 15.998 -2.213 12.102 1.00 2.20 H new ATOM 0 HB2 ASN B 84 14.073 -1.215 9.953 1.00 2.65 H new ATOM 0 HB3 ASN B 84 13.682 -2.582 10.978 1.00 2.65 H new ATOM 0 HD21 ASN B 84 12.823 1.066 12.337 1.00 4.00 H new ATOM 0 HD22 ASN B 84 13.117 0.650 10.646 1.00 4.00 H new ATOM 2865 N ASP B 85 16.509 -4.323 10.872 1.00 2.43 N ATOM 2866 CA ASP B 85 16.634 -5.682 10.302 1.00 2.58 C ATOM 2867 C ASP B 85 15.293 -6.335 9.914 1.00 2.99 C ATOM 2868 O ASP B 85 15.291 -7.406 9.316 1.00 3.20 O ATOM 2869 CB ASP B 85 17.346 -6.592 11.313 1.00 3.70 C ATOM 2870 CG ASP B 85 18.836 -6.279 11.424 1.00 3.52 C ATOM 2871 OD1 ASP B 85 19.148 -5.303 12.139 1.00 4.08 O ATOM 2872 OD2 ASP B 85 19.629 -7.013 10.789 1.00 4.01 O ATOM 0 H ASP B 85 16.800 -4.281 11.849 1.00 2.43 H new ATOM 0 HA ASP B 85 17.205 -5.569 9.381 1.00 2.58 H new ATOM 0 HB2 ASP B 85 16.879 -6.479 12.292 1.00 3.70 H new ATOM 0 HB3 ASP B 85 17.217 -7.633 11.016 1.00 3.70 H new ATOM 2877 N PHE B 86 14.144 -5.728 10.242 1.00 3.55 N ATOM 2878 CA PHE B 86 12.808 -6.337 10.108 1.00 4.45 C ATOM 2879 C PHE B 86 12.506 -6.907 8.705 1.00 4.24 C ATOM 2880 O PHE B 86 11.734 -7.852 8.586 1.00 4.96 O ATOM 2881 CB PHE B 86 11.743 -5.301 10.529 1.00 5.19 C ATOM 2882 CG PHE B 86 10.516 -5.881 11.217 1.00 6.80 C ATOM 2883 CD1 PHE B 86 9.560 -6.627 10.499 1.00 8.51 C ATOM 2884 CD2 PHE B 86 10.302 -5.627 12.586 1.00 7.15 C ATOM 2885 CE1 PHE B 86 8.414 -7.129 11.140 1.00 10.28 C ATOM 2886 CE2 PHE B 86 9.147 -6.109 13.226 1.00 8.91 C ATOM 2887 CZ PHE B 86 8.201 -6.860 12.503 1.00 10.40 C ATOM 0 H PHE B 86 14.114 -4.780 10.616 1.00 3.55 H new ATOM 0 HA PHE B 86 12.783 -7.204 10.769 1.00 4.45 H new ATOM 0 HB2 PHE B 86 12.207 -4.577 11.198 1.00 5.19 H new ATOM 0 HB3 PHE B 86 11.420 -4.755 9.643 1.00 5.19 H new ATOM 0 HD1 PHE B 86 9.709 -6.815 9.446 1.00 8.51 H new ATOM 0 HD2 PHE B 86 11.029 -5.059 13.147 1.00 7.15 H new ATOM 0 HE1 PHE B 86 7.699 -7.720 10.587 1.00 10.28 H new ATOM 0 HE2 PHE B 86 8.985 -5.903 14.274 1.00 8.91 H new ATOM 0 HZ PHE B 86 7.313 -7.229 12.995 1.00 10.40 H new ATOM 2897 N PHE B 87 13.123 -6.362 7.650 1.00 3.50 N ATOM 2898 CA PHE B 87 13.035 -6.886 6.282 1.00 3.65 C ATOM 2899 C PHE B 87 14.425 -6.991 5.634 1.00 3.44 C ATOM 2900 O PHE B 87 14.660 -6.498 4.532 1.00 4.29 O ATOM 2901 CB PHE B 87 11.964 -6.114 5.486 1.00 3.87 C ATOM 2902 CG PHE B 87 12.232 -4.655 5.141 1.00 4.36 C ATOM 2903 CD1 PHE B 87 12.070 -3.638 6.104 1.00 4.44 C ATOM 2904 CD2 PHE B 87 12.560 -4.308 3.815 1.00 5.62 C ATOM 2905 CE1 PHE B 87 12.191 -2.285 5.727 1.00 5.38 C ATOM 2906 CE2 PHE B 87 12.703 -2.962 3.447 1.00 6.57 C ATOM 2907 CZ PHE B 87 12.494 -1.948 4.399 1.00 6.31 C ATOM 0 H PHE B 87 13.708 -5.530 7.724 1.00 3.50 H new ATOM 0 HA PHE B 87 12.683 -7.918 6.289 1.00 3.65 H new ATOM 0 HB2 PHE B 87 11.793 -6.650 4.553 1.00 3.87 H new ATOM 0 HB3 PHE B 87 11.034 -6.156 6.053 1.00 3.87 H new ATOM 0 HD1 PHE B 87 11.853 -3.895 7.130 1.00 4.44 H new ATOM 0 HD2 PHE B 87 12.702 -5.084 3.077 1.00 5.62 H new ATOM 0 HE1 PHE B 87 12.050 -1.506 6.462 1.00 5.38 H new ATOM 0 HE2 PHE B 87 12.973 -2.705 2.434 1.00 6.57 H new ATOM 0 HZ PHE B 87 12.567 -0.910 4.108 1.00 6.31 H new ATOM 2917 N LEU B 88 15.371 -7.615 6.350 1.00 2.69 N ATOM 2918 CA LEU B 88 16.747 -7.849 5.899 1.00 2.54 C ATOM 2919 C LEU B 88 16.869 -8.735 4.644 1.00 3.85 C ATOM 2920 O LEU B 88 15.908 -9.350 4.173 1.00 4.89 O ATOM 2921 CB LEU B 88 17.618 -8.312 7.092 1.00 1.71 C ATOM 2922 CG LEU B 88 17.513 -9.770 7.602 1.00 3.06 C ATOM 2923 CD1 LEU B 88 16.086 -10.330 7.755 1.00 4.64 C ATOM 2924 CD2 LEU B 88 18.305 -10.744 6.719 1.00 3.53 C ATOM 0 H LEU B 88 15.193 -7.981 7.285 1.00 2.69 H new ATOM 0 HA LEU B 88 17.142 -6.896 5.547 1.00 2.54 H new ATOM 0 HB2 LEU B 88 18.659 -8.136 6.822 1.00 1.71 H new ATOM 0 HB3 LEU B 88 17.392 -7.656 7.933 1.00 1.71 H new ATOM 0 HG LEU B 88 17.939 -9.700 8.603 1.00 3.06 H new ATOM 0 HD11 LEU B 88 16.135 -11.357 8.118 1.00 4.64 H new ATOM 0 HD12 LEU B 88 15.530 -9.720 8.467 1.00 4.64 H new ATOM 0 HD13 LEU B 88 15.582 -10.310 6.789 1.00 4.64 H new ATOM 0 HD21 LEU B 88 18.204 -11.756 7.112 1.00 3.53 H new ATOM 0 HD22 LEU B 88 17.917 -10.710 5.701 1.00 3.53 H new ATOM 0 HD23 LEU B 88 19.357 -10.459 6.716 1.00 3.53 H new ATOM 2936 N GLU B 89 18.089 -8.770 4.100 1.00 4.12 N ATOM 2937 CA GLU B 89 18.401 -9.344 2.785 1.00 5.54 C ATOM 2938 C GLU B 89 19.142 -10.686 2.805 1.00 5.03 C ATOM 2939 O GLU B 89 19.087 -11.421 1.816 1.00 6.44 O ATOM 2940 CB GLU B 89 19.296 -8.369 2.021 1.00 6.58 C ATOM 2941 CG GLU B 89 18.741 -6.949 1.896 1.00 8.55 C ATOM 2942 CD GLU B 89 19.457 -6.292 0.731 1.00 9.70 C ATOM 2943 OE1 GLU B 89 19.070 -6.613 -0.415 1.00 10.20 O ATOM 2944 OE2 GLU B 89 20.507 -5.663 0.953 1.00 10.39 O ATOM 0 H GLU B 89 18.909 -8.390 4.573 1.00 4.12 H new ATOM 0 HA GLU B 89 17.430 -9.518 2.322 1.00 5.54 H new ATOM 0 HB2 GLU B 89 20.265 -8.322 2.518 1.00 6.58 H new ATOM 0 HB3 GLU B 89 19.469 -8.765 1.020 1.00 6.58 H new ATOM 0 HG2 GLU B 89 17.665 -6.970 1.725 1.00 8.55 H new ATOM 0 HG3 GLU B 89 18.907 -6.388 2.816 1.00 8.55 H new ATOM 2951 N ASP B 90 19.881 -10.972 3.886 1.00 3.54 N ATOM 2952 CA ASP B 90 20.441 -12.280 4.285 1.00 3.75 C ATOM 2953 C ASP B 90 21.630 -12.779 3.425 1.00 4.02 C ATOM 2954 O ASP B 90 22.406 -13.630 3.845 1.00 4.81 O ATOM 2955 CB ASP B 90 19.282 -13.290 4.326 1.00 5.23 C ATOM 2956 CG ASP B 90 19.400 -14.308 5.458 1.00 6.20 C ATOM 2957 OD1 ASP B 90 19.605 -13.872 6.613 1.00 6.43 O ATOM 2958 OD2 ASP B 90 19.164 -15.505 5.173 1.00 7.44 O ATOM 0 H ASP B 90 20.124 -10.244 4.558 1.00 3.54 H new ATOM 0 HA ASP B 90 20.892 -12.165 5.270 1.00 3.75 H new ATOM 0 HB2 ASP B 90 18.342 -12.748 4.432 1.00 5.23 H new ATOM 0 HB3 ASP B 90 19.239 -13.820 3.375 1.00 5.23 H new ATOM 2963 N ASN B 91 21.768 -12.236 2.214 1.00 4.37 N ATOM 2964 CA ASN B 91 22.714 -12.658 1.173 1.00 5.18 C ATOM 2965 C ASN B 91 23.788 -11.585 0.870 1.00 5.04 C ATOM 2966 O ASN B 91 24.248 -11.480 -0.271 1.00 5.80 O ATOM 2967 CB ASN B 91 21.902 -13.049 -0.084 1.00 6.42 C ATOM 2968 CG ASN B 91 21.198 -14.391 0.060 1.00 7.39 C ATOM 2969 OD1 ASN B 91 21.601 -15.374 -0.547 1.00 8.45 O ATOM 2970 ND2 ASN B 91 20.135 -14.471 0.838 1.00 7.67 N ATOM 0 H ASN B 91 21.193 -11.448 1.915 1.00 4.37 H new ATOM 0 HA ASN B 91 23.278 -13.521 1.528 1.00 5.18 H new ATOM 0 HB2 ASN B 91 21.161 -12.276 -0.287 1.00 6.42 H new ATOM 0 HB3 ASN B 91 22.569 -13.085 -0.945 1.00 6.42 H new ATOM 0 HD21 ASN B 91 19.641 -15.358 0.938 1.00 7.67 H new ATOM 0 HD22 ASN B 91 19.807 -13.646 1.340 1.00 7.67 H new ATOM 2977 N LYS B 92 24.127 -10.730 1.847 1.00 4.73 N ATOM 2978 CA LYS B 92 25.204 -9.724 1.747 1.00 5.58 C ATOM 2979 C LYS B 92 26.056 -9.700 3.014 1.00 6.35 C ATOM 2980 O LYS B 92 25.440 -9.678 4.097 1.00 6.45 O ATOM 2981 CB LYS B 92 24.639 -8.319 1.464 1.00 5.97 C ATOM 2982 CG LYS B 92 24.068 -8.164 0.046 1.00 6.82 C ATOM 2983 CD LYS B 92 22.553 -8.391 -0.037 1.00 6.92 C ATOM 2984 CE LYS B 92 22.114 -8.317 -1.502 1.00 8.40 C ATOM 2985 NZ LYS B 92 20.641 -8.358 -1.640 1.00 8.93 N ATOM 2986 OXT LYS B 92 27.294 -9.692 2.853 1.00 7.44 O ATOM 0 H LYS B 92 23.652 -10.716 2.749 1.00 4.73 H new ATOM 0 HA LYS B 92 25.836 -10.014 0.908 1.00 5.58 H new ATOM 0 HB2 LYS B 92 23.856 -8.098 2.189 1.00 5.97 H new ATOM 0 HB3 LYS B 92 25.428 -7.582 1.612 1.00 5.97 H new ATOM 0 HG2 LYS B 92 24.297 -7.164 -0.321 1.00 6.82 H new ATOM 0 HG3 LYS B 92 24.569 -8.869 -0.617 1.00 6.82 H new ATOM 0 HD2 LYS B 92 22.295 -9.363 0.384 1.00 6.92 H new ATOM 0 HD3 LYS B 92 22.027 -7.639 0.551 1.00 6.92 H new ATOM 0 HE2 LYS B 92 22.495 -7.399 -1.949 1.00 8.40 H new ATOM 0 HE3 LYS B 92 22.554 -9.147 -2.055 1.00 8.40 H new ATOM 0 HZ1 LYS B 92 20.390 -8.527 -2.635 1.00 8.93 H new ATOM 0 HZ2 LYS B 92 20.258 -9.125 -1.051 1.00 8.93 H new ATOM 0 HZ3 LYS B 92 20.238 -7.450 -1.331 1.00 8.93 H new TER 3000 LYS B 92