USER MOD reduce.3.24.130724 H: found=0, std=0, add=1530, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1530 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 ASN : amide:sc= -3.66! C(o=-5.4!,f=-6.9!) USER MOD Set 1.2: B 70 SER OG : rot -175:sc= -1.71 USER MOD Set 2.1: B 44 SER OG : rot 180:sc= 0.0709 USER MOD Set 2.2: B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 70 SER OG : rot 175:sc= -4.42! USER MOD Set 3.2: B 51 ASN : amide:sc= -8.48! C(o=-13!,f=-13!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc= -0.116 (180deg=-0.834) USER MOD Single : A 2 THR OG1 : rot -53:sc= 0.199 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN :FLIP amide:sc= -4.15! C(o=-10!,f=-4.2!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -10:sc= 0.425! USER MOD Single : A 14 LYS NZ :NH3+ -146:sc= -0.286 (180deg=-1.41!) USER MOD Single : A 15 ASN : amide:sc= -1.49 X(o=-1.5,f=-1.3) USER MOD Single : A 19 HIS : no HE2:sc= -7.24! C(o=-7.2!,f=-13!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.239 X(o=-0.24,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 153:sc= -0.0557 (180deg=-0.466) USER MOD Single : A 39 THR OG1 : rot -140:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0.118 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 92:sc= -0.381! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.014 X(o=-0.014,f=-0.014) USER MOD Single : A 65 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.22) USER MOD Single : A 67 GLN : amide:sc= -0.0509 X(o=-0.051,f=0) USER MOD Single : A 68 THR OG1 : rot -130:sc= -0.0422 USER MOD Single : A 79 SER OG : rot 140:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 152:sc= -0.128 (180deg=-0.663) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -136:sc= -0.251 (180deg=-1.3!) USER MOD Single : B 2 THR OG1 : rot -50:sc= 0.155 USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 ASN :FLIP amide:sc= -4.96! C(o=-9.6!,f=-5!) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 THR OG1 : rot 8:sc= 0.406! USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 ASN : amide:sc= -0.829 X(o=-0.83,f=-0.82) USER MOD Single : B 19 HIS : no HE2:sc= -5.18 K(o=-5.2,f=-8!) USER MOD Single : B 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 29 GLN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : B 37 LYS NZ :NH3+ 157:sc= -0.0145 (180deg=-0.2) USER MOD Single : B 39 THR OG1 : rot 180:sc= -0.139 USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 SER OG : rot 95:sc= 0.535 USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 GLN : amide:sc= -0.187 K(o=-0.19,f=-0.95) USER MOD Single : B 65 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.3) USER MOD Single : B 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 68 THR OG1 : rot -110:sc= -0.0603 USER MOD Single : B 79 SER OG : rot -92:sc= -1.94 USER MOD Single : B 80 TYR OH : rot 180:sc= -0.881 USER MOD Single : B 86 LYS NZ :NH3+ 154:sc= -0.0836 (180deg=-0.596) USER MOD Single : B 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.164 2.849 -18.417 1.00 4.01 N ATOM 2 CA MET A 1 20.452 1.414 -18.135 1.00 3.21 C ATOM 3 C MET A 1 19.722 0.987 -16.859 1.00 2.18 C ATOM 4 O MET A 1 18.573 0.595 -16.896 1.00 2.40 O ATOM 5 CB MET A 1 21.959 1.222 -17.954 1.00 3.87 C ATOM 6 CG MET A 1 22.668 1.472 -19.287 1.00 4.69 C ATOM 7 SD MET A 1 22.531 -0.001 -20.330 1.00 5.64 S ATOM 8 CE MET A 1 23.140 0.747 -21.862 1.00 6.33 C ATOM 0 H1 MET A 1 19.750 2.940 -19.367 1.00 4.01 H new ATOM 0 H2 MET A 1 19.494 3.214 -17.710 1.00 4.01 H new ATOM 0 H3 MET A 1 21.047 3.396 -18.371 1.00 4.01 H new ATOM 0 HA MET A 1 20.107 0.803 -18.969 1.00 3.21 H new ATOM 0 HB2 MET A 1 22.335 1.908 -17.195 1.00 3.87 H new ATOM 0 HB3 MET A 1 22.168 0.212 -17.602 1.00 3.87 H new ATOM 0 HG2 MET A 1 22.224 2.330 -19.792 1.00 4.69 H new ATOM 0 HG3 MET A 1 23.717 1.711 -19.114 1.00 4.69 H new ATOM 0 HE1 MET A 1 23.140 0.001 -22.656 1.00 6.33 H new ATOM 0 HE2 MET A 1 22.492 1.577 -22.144 1.00 6.33 H new ATOM 0 HE3 MET A 1 24.155 1.114 -21.709 1.00 6.33 H new ATOM 20 N THR A 2 20.384 1.058 -15.731 1.00 1.58 N ATOM 21 CA THR A 2 19.732 0.652 -14.449 1.00 1.09 C ATOM 22 C THR A 2 20.092 1.649 -13.346 1.00 0.90 C ATOM 23 O THR A 2 20.025 1.340 -12.177 1.00 1.71 O ATOM 24 CB THR A 2 20.216 -0.743 -14.053 1.00 1.87 C ATOM 25 OG1 THR A 2 19.335 -1.292 -13.083 1.00 2.53 O ATOM 26 CG2 THR A 2 21.627 -0.651 -13.471 1.00 2.32 C ATOM 0 H THR A 2 21.348 1.380 -15.643 1.00 1.58 H new ATOM 0 HA THR A 2 18.650 0.640 -14.583 1.00 1.09 H new ATOM 0 HB THR A 2 20.231 -1.385 -14.934 1.00 1.87 H new ATOM 0 HG1 THR A 2 19.231 -0.660 -12.341 1.00 2.53 H new ATOM 0 HG21 THR A 2 21.970 -1.647 -13.189 1.00 2.32 H new ATOM 0 HG22 THR A 2 22.302 -0.232 -14.218 1.00 2.32 H new ATOM 0 HG23 THR A 2 21.616 -0.008 -12.591 1.00 2.32 H new ATOM 34 N GLU A 3 20.449 2.847 -13.713 1.00 0.79 N ATOM 35 CA GLU A 3 20.792 3.882 -12.690 1.00 0.55 C ATOM 36 C GLU A 3 19.499 4.549 -12.212 1.00 0.53 C ATOM 37 O GLU A 3 19.508 5.401 -11.350 1.00 0.58 O ATOM 38 CB GLU A 3 21.692 4.939 -13.324 1.00 0.66 C ATOM 39 CG GLU A 3 22.477 4.318 -14.480 1.00 1.13 C ATOM 40 CD GLU A 3 23.664 5.218 -14.828 1.00 1.17 C ATOM 41 OE1 GLU A 3 23.427 6.334 -15.260 1.00 1.75 O ATOM 42 OE2 GLU A 3 24.788 4.777 -14.656 1.00 1.60 O ATOM 0 H GLU A 3 20.519 3.159 -14.682 1.00 0.79 H new ATOM 0 HA GLU A 3 21.308 3.417 -11.850 1.00 0.55 H new ATOM 0 HB2 GLU A 3 21.091 5.773 -13.686 1.00 0.66 H new ATOM 0 HB3 GLU A 3 22.379 5.341 -12.579 1.00 0.66 H new ATOM 0 HG2 GLU A 3 22.829 3.324 -14.203 1.00 1.13 H new ATOM 0 HG3 GLU A 3 21.831 4.197 -15.349 1.00 1.13 H new ATOM 49 N LYS A 4 18.387 4.172 -12.779 1.00 0.59 N ATOM 50 CA LYS A 4 17.092 4.783 -12.362 1.00 0.59 C ATOM 51 C LYS A 4 15.942 3.869 -12.759 1.00 0.59 C ATOM 52 O LYS A 4 15.010 4.278 -13.422 1.00 0.89 O ATOM 53 CB LYS A 4 16.910 6.139 -13.042 1.00 0.54 C ATOM 54 CG LYS A 4 17.093 5.989 -14.553 1.00 1.07 C ATOM 55 CD LYS A 4 18.226 6.899 -15.042 1.00 1.12 C ATOM 56 CE LYS A 4 17.790 8.362 -14.940 1.00 1.71 C ATOM 57 NZ LYS A 4 17.598 8.917 -16.311 1.00 2.24 N ATOM 0 H LYS A 4 18.318 3.467 -13.513 1.00 0.59 H new ATOM 0 HA LYS A 4 17.099 4.918 -11.280 1.00 0.59 H new ATOM 0 HB2 LYS A 4 15.918 6.535 -12.824 1.00 0.54 H new ATOM 0 HB3 LYS A 4 17.633 6.854 -12.648 1.00 0.54 H new ATOM 0 HG2 LYS A 4 17.319 4.951 -14.798 1.00 1.07 H new ATOM 0 HG3 LYS A 4 16.165 6.243 -15.066 1.00 1.07 H new ATOM 0 HD2 LYS A 4 19.122 6.734 -14.444 1.00 1.12 H new ATOM 0 HD3 LYS A 4 18.481 6.656 -16.073 1.00 1.12 H new ATOM 0 HE2 LYS A 4 16.863 8.438 -14.372 1.00 1.71 H new ATOM 0 HE3 LYS A 4 18.542 8.941 -14.403 1.00 1.71 H new ATOM 0 HZ1 LYS A 4 17.302 9.912 -16.245 1.00 2.24 H new ATOM 0 HZ2 LYS A 4 18.492 8.857 -16.838 1.00 2.24 H new ATOM 0 HZ3 LYS A 4 16.866 8.370 -16.808 1.00 2.24 H new ATOM 71 N LEU A 5 15.993 2.634 -12.359 1.00 0.58 N ATOM 72 CA LEU A 5 14.897 1.697 -12.714 1.00 0.62 C ATOM 73 C LEU A 5 15.137 0.381 -11.976 1.00 0.75 C ATOM 74 O LEU A 5 15.094 -0.690 -12.545 1.00 1.54 O ATOM 75 CB LEU A 5 14.895 1.458 -14.227 1.00 0.73 C ATOM 76 CG LEU A 5 13.459 1.264 -14.721 1.00 1.02 C ATOM 77 CD1 LEU A 5 13.471 1.054 -16.235 1.00 1.39 C ATOM 78 CD2 LEU A 5 12.835 0.038 -14.047 1.00 1.67 C ATOM 0 H LEU A 5 16.746 2.232 -11.801 1.00 0.58 H new ATOM 0 HA LEU A 5 13.932 2.114 -12.427 1.00 0.62 H new ATOM 0 HB2 LEU A 5 15.354 2.304 -14.738 1.00 0.73 H new ATOM 0 HB3 LEU A 5 15.493 0.579 -14.466 1.00 0.73 H new ATOM 0 HG LEU A 5 12.872 2.148 -14.473 1.00 1.02 H new ATOM 0 HD11 LEU A 5 12.450 0.915 -16.591 1.00 1.39 H new ATOM 0 HD12 LEU A 5 13.909 1.926 -16.720 1.00 1.39 H new ATOM 0 HD13 LEU A 5 14.062 0.170 -16.475 1.00 1.39 H new ATOM 0 HD21 LEU A 5 11.813 -0.093 -14.404 1.00 1.67 H new ATOM 0 HD22 LEU A 5 13.421 -0.848 -14.290 1.00 1.67 H new ATOM 0 HD23 LEU A 5 12.826 0.182 -12.967 1.00 1.67 H new ATOM 90 N ASN A 6 15.429 0.463 -10.717 1.00 0.26 N ATOM 91 CA ASN A 6 15.719 -0.764 -9.936 1.00 0.26 C ATOM 92 C ASN A 6 14.444 -1.313 -9.292 1.00 0.24 C ATOM 93 O ASN A 6 13.911 -0.741 -8.370 1.00 0.26 O ATOM 94 CB ASN A 6 16.715 -0.395 -8.849 1.00 0.35 C ATOM 95 CG ASN A 6 17.131 -1.643 -8.074 1.00 0.93 C ATOM 96 OD1 ASN A 6 17.045 -1.643 -6.773 1.00 1.72 O flip ATOM 97 ND2 ASN A 6 17.541 -2.625 -8.656 1.00 1.39 N flip ATOM 0 H ASN A 6 15.480 1.334 -10.189 1.00 0.26 H new ATOM 0 HA ASN A 6 16.123 -1.533 -10.595 1.00 0.26 H new ATOM 0 HB2 ASN A 6 17.592 0.076 -9.293 1.00 0.35 H new ATOM 0 HB3 ASN A 6 16.271 0.333 -8.170 1.00 0.35 H new ATOM 0 HD21 ASN A 6 17.608 -2.624 -9.674 1.00 1.39 H new ATOM 0 HD22 ASN A 6 17.819 -3.452 -8.128 1.00 1.39 H new ATOM 104 N GLU A 7 13.965 -2.435 -9.749 1.00 0.25 N ATOM 105 CA GLU A 7 12.744 -3.018 -9.130 1.00 0.28 C ATOM 106 C GLU A 7 13.175 -3.975 -8.030 1.00 0.28 C ATOM 107 O GLU A 7 13.907 -4.916 -8.269 1.00 0.30 O ATOM 108 CB GLU A 7 11.929 -3.762 -10.185 1.00 0.35 C ATOM 109 CG GLU A 7 12.714 -4.979 -10.673 1.00 0.44 C ATOM 110 CD GLU A 7 12.204 -5.399 -12.053 1.00 0.75 C ATOM 111 OE1 GLU A 7 11.075 -5.066 -12.371 1.00 1.12 O ATOM 112 OE2 GLU A 7 12.952 -6.047 -12.767 1.00 1.44 O ATOM 0 H GLU A 7 14.363 -2.971 -10.520 1.00 0.25 H new ATOM 0 HA GLU A 7 12.122 -2.227 -8.711 1.00 0.28 H new ATOM 0 HB2 GLU A 7 10.973 -4.077 -9.766 1.00 0.35 H new ATOM 0 HB3 GLU A 7 11.707 -3.100 -11.022 1.00 0.35 H new ATOM 0 HG2 GLU A 7 13.777 -4.743 -10.723 1.00 0.44 H new ATOM 0 HG3 GLU A 7 12.604 -5.802 -9.967 1.00 0.44 H new ATOM 119 N ILE A 8 12.753 -3.719 -6.819 1.00 0.28 N ATOM 120 CA ILE A 8 13.176 -4.608 -5.679 1.00 0.31 C ATOM 121 C ILE A 8 11.971 -5.152 -4.915 1.00 0.28 C ATOM 122 O ILE A 8 10.940 -4.534 -4.822 1.00 0.28 O ATOM 123 CB ILE A 8 14.054 -3.824 -4.707 1.00 0.35 C ATOM 124 CG1 ILE A 8 15.320 -3.340 -5.426 1.00 0.42 C ATOM 125 CG2 ILE A 8 14.435 -4.721 -3.525 1.00 0.56 C ATOM 126 CD1 ILE A 8 16.422 -4.404 -5.337 1.00 1.11 C ATOM 0 H ILE A 8 12.141 -2.944 -6.565 1.00 0.28 H new ATOM 0 HA ILE A 8 13.730 -5.445 -6.105 1.00 0.31 H new ATOM 0 HB ILE A 8 13.503 -2.959 -4.338 1.00 0.35 H new ATOM 0 HG12 ILE A 8 15.094 -3.127 -6.471 1.00 0.42 H new ATOM 0 HG13 ILE A 8 15.667 -2.409 -4.979 1.00 0.42 H new ATOM 0 HG21 ILE A 8 15.062 -4.161 -2.831 1.00 0.56 H new ATOM 0 HG22 ILE A 8 13.531 -5.051 -3.013 1.00 0.56 H new ATOM 0 HG23 ILE A 8 14.983 -5.590 -3.889 1.00 0.56 H new ATOM 0 HD11 ILE A 8 17.314 -4.047 -5.851 1.00 1.11 H new ATOM 0 HD12 ILE A 8 16.659 -4.596 -4.290 1.00 1.11 H new ATOM 0 HD13 ILE A 8 16.077 -5.325 -5.806 1.00 1.11 H new ATOM 138 N VAL A 9 12.113 -6.338 -4.395 1.00 0.28 N ATOM 139 CA VAL A 9 11.006 -6.993 -3.638 1.00 0.27 C ATOM 140 C VAL A 9 11.360 -7.090 -2.155 1.00 0.24 C ATOM 141 O VAL A 9 12.438 -7.509 -1.784 1.00 0.25 O ATOM 142 CB VAL A 9 10.784 -8.398 -4.197 1.00 0.30 C ATOM 143 CG1 VAL A 9 9.686 -9.108 -3.403 1.00 1.35 C ATOM 144 CG2 VAL A 9 10.369 -8.304 -5.667 1.00 1.27 C ATOM 0 H VAL A 9 12.966 -6.893 -4.463 1.00 0.28 H new ATOM 0 HA VAL A 9 10.099 -6.398 -3.745 1.00 0.27 H new ATOM 0 HB VAL A 9 11.711 -8.966 -4.114 1.00 0.30 H new ATOM 0 HG11 VAL A 9 9.534 -10.109 -3.807 1.00 1.35 H new ATOM 0 HG12 VAL A 9 9.983 -9.181 -2.357 1.00 1.35 H new ATOM 0 HG13 VAL A 9 8.758 -8.541 -3.478 1.00 1.35 H new ATOM 0 HG21 VAL A 9 10.211 -9.306 -6.065 1.00 1.27 H new ATOM 0 HG22 VAL A 9 9.445 -7.731 -5.748 1.00 1.27 H new ATOM 0 HG23 VAL A 9 11.155 -7.807 -6.236 1.00 1.27 H new ATOM 154 N VAL A 10 10.453 -6.695 -1.308 1.00 0.23 N ATOM 155 CA VAL A 10 10.720 -6.748 0.154 1.00 0.22 C ATOM 156 C VAL A 10 10.257 -8.106 0.682 1.00 0.20 C ATOM 157 O VAL A 10 9.507 -8.803 0.028 1.00 0.20 O ATOM 158 CB VAL A 10 9.944 -5.620 0.845 1.00 0.23 C ATOM 159 CG1 VAL A 10 8.532 -6.092 1.195 1.00 0.33 C ATOM 160 CG2 VAL A 10 10.665 -5.218 2.125 1.00 0.39 C ATOM 0 H VAL A 10 9.534 -6.336 -1.567 1.00 0.23 H new ATOM 0 HA VAL A 10 11.784 -6.622 0.355 1.00 0.22 H new ATOM 0 HB VAL A 10 9.883 -4.767 0.169 1.00 0.23 H new ATOM 0 HG11 VAL A 10 7.989 -5.284 1.685 1.00 0.33 H new ATOM 0 HG12 VAL A 10 8.008 -6.380 0.284 1.00 0.33 H new ATOM 0 HG13 VAL A 10 8.591 -6.949 1.866 1.00 0.33 H new ATOM 0 HG21 VAL A 10 10.114 -4.416 2.617 1.00 0.39 H new ATOM 0 HG22 VAL A 10 10.728 -6.077 2.792 1.00 0.39 H new ATOM 0 HG23 VAL A 10 11.670 -4.872 1.883 1.00 0.39 H new ATOM 170 N ARG A 11 10.710 -8.497 1.846 1.00 0.20 N ATOM 171 CA ARG A 11 10.306 -9.824 2.393 1.00 0.19 C ATOM 172 C ARG A 11 9.995 -9.708 3.883 1.00 0.22 C ATOM 173 O ARG A 11 10.194 -8.680 4.499 1.00 0.22 O ATOM 174 CB ARG A 11 11.437 -10.842 2.203 1.00 0.20 C ATOM 175 CG ARG A 11 12.649 -10.181 1.543 1.00 0.30 C ATOM 176 CD ARG A 11 13.686 -11.255 1.210 1.00 0.34 C ATOM 177 NE ARG A 11 14.996 -10.610 0.915 1.00 1.17 N ATOM 178 CZ ARG A 11 15.171 -9.972 -0.209 1.00 1.42 C ATOM 179 NH1 ARG A 11 14.196 -9.895 -1.074 1.00 1.51 N ATOM 180 NH2 ARG A 11 16.320 -9.412 -0.469 1.00 2.27 N ATOM 0 H ARG A 11 11.340 -7.956 2.438 1.00 0.20 H new ATOM 0 HA ARG A 11 9.417 -10.158 1.857 1.00 0.19 H new ATOM 0 HB2 ARG A 11 11.724 -11.260 3.168 1.00 0.20 H new ATOM 0 HB3 ARG A 11 11.088 -11.671 1.588 1.00 0.20 H new ATOM 0 HG2 ARG A 11 12.345 -9.658 0.636 1.00 0.30 H new ATOM 0 HG3 ARG A 11 13.081 -9.436 2.211 1.00 0.30 H new ATOM 0 HD2 ARG A 11 13.790 -11.946 2.046 1.00 0.34 H new ATOM 0 HD3 ARG A 11 13.356 -11.840 0.352 1.00 0.34 H new ATOM 0 HE ARG A 11 15.756 -10.667 1.592 1.00 1.17 H new ATOM 0 HH11 ARG A 11 13.298 -10.334 -0.871 1.00 1.51 H new ATOM 0 HH12 ARG A 11 14.332 -9.396 -1.953 1.00 1.51 H new ATOM 0 HH21 ARG A 11 17.082 -9.473 0.207 1.00 2.27 H new ATOM 0 HH22 ARG A 11 16.457 -8.913 -1.348 1.00 2.27 H new ATOM 194 N LYS A 12 9.514 -10.772 4.457 1.00 0.27 N ATOM 195 CA LYS A 12 9.186 -10.774 5.909 1.00 0.32 C ATOM 196 C LYS A 12 10.284 -11.509 6.660 1.00 0.35 C ATOM 197 O LYS A 12 10.343 -11.488 7.873 1.00 0.43 O ATOM 198 CB LYS A 12 7.879 -11.524 6.126 1.00 0.35 C ATOM 199 CG LYS A 12 8.034 -12.960 5.606 1.00 0.38 C ATOM 200 CD LYS A 12 8.107 -13.941 6.781 1.00 1.05 C ATOM 201 CE LYS A 12 8.063 -15.374 6.250 1.00 1.03 C ATOM 202 NZ LYS A 12 8.834 -16.266 7.162 1.00 1.78 N ATOM 0 H LYS A 12 9.331 -11.653 3.976 1.00 0.27 H new ATOM 0 HA LYS A 12 9.097 -9.748 6.266 1.00 0.32 H new ATOM 0 HB2 LYS A 12 7.622 -11.533 7.185 1.00 0.35 H new ATOM 0 HB3 LYS A 12 7.065 -11.021 5.604 1.00 0.35 H new ATOM 0 HG2 LYS A 12 7.193 -13.214 4.962 1.00 0.38 H new ATOM 0 HG3 LYS A 12 8.936 -13.040 4.999 1.00 0.38 H new ATOM 0 HD2 LYS A 12 9.024 -13.779 7.347 1.00 1.05 H new ATOM 0 HD3 LYS A 12 7.276 -13.769 7.465 1.00 1.05 H new ATOM 0 HE2 LYS A 12 7.030 -15.715 6.178 1.00 1.03 H new ATOM 0 HE3 LYS A 12 8.483 -15.414 5.245 1.00 1.03 H new ATOM 0 HZ1 LYS A 12 8.804 -17.241 6.801 1.00 1.78 H new ATOM 0 HZ2 LYS A 12 9.822 -15.944 7.209 1.00 1.78 H new ATOM 0 HZ3 LYS A 12 8.415 -16.236 8.113 1.00 1.78 H new ATOM 216 N THR A 13 11.147 -12.171 5.950 1.00 0.34 N ATOM 217 CA THR A 13 12.232 -12.917 6.631 1.00 0.44 C ATOM 218 C THR A 13 13.400 -11.971 6.892 1.00 0.58 C ATOM 219 O THR A 13 14.325 -12.292 7.612 1.00 1.08 O ATOM 220 CB THR A 13 12.694 -14.076 5.746 1.00 0.48 C ATOM 221 OG1 THR A 13 13.961 -14.536 6.196 1.00 1.24 O ATOM 222 CG2 THR A 13 12.806 -13.601 4.296 1.00 1.01 C ATOM 0 H THR A 13 11.148 -12.228 4.932 1.00 0.34 H new ATOM 0 HA THR A 13 11.866 -13.316 7.577 1.00 0.44 H new ATOM 0 HB THR A 13 11.970 -14.889 5.803 1.00 0.48 H new ATOM 0 HG1 THR A 13 14.322 -13.908 6.856 1.00 1.24 H new ATOM 0 HG21 THR A 13 13.135 -14.428 3.667 1.00 1.01 H new ATOM 0 HG22 THR A 13 11.833 -13.248 3.952 1.00 1.01 H new ATOM 0 HG23 THR A 13 13.529 -12.788 4.234 1.00 1.01 H new ATOM 230 N LYS A 14 13.334 -10.790 6.343 1.00 0.35 N ATOM 231 CA LYS A 14 14.399 -9.778 6.577 1.00 0.43 C ATOM 232 C LYS A 14 13.876 -8.799 7.648 1.00 0.57 C ATOM 233 O LYS A 14 13.544 -9.203 8.745 1.00 1.34 O ATOM 234 CB LYS A 14 14.732 -9.085 5.229 1.00 0.39 C ATOM 235 CG LYS A 14 16.136 -9.503 4.736 1.00 0.60 C ATOM 236 CD LYS A 14 16.102 -10.877 4.043 1.00 0.86 C ATOM 237 CE LYS A 14 16.765 -11.928 4.933 1.00 1.06 C ATOM 238 NZ LYS A 14 18.154 -11.505 5.268 1.00 1.41 N ATOM 0 H LYS A 14 12.577 -10.480 5.734 1.00 0.35 H new ATOM 0 HA LYS A 14 15.326 -10.220 6.943 1.00 0.43 H new ATOM 0 HB2 LYS A 14 13.984 -9.351 4.482 1.00 0.39 H new ATOM 0 HB3 LYS A 14 14.690 -8.003 5.350 1.00 0.39 H new ATOM 0 HG2 LYS A 14 16.518 -8.754 4.043 1.00 0.60 H new ATOM 0 HG3 LYS A 14 16.825 -9.537 5.580 1.00 0.60 H new ATOM 0 HD2 LYS A 14 15.071 -11.163 3.835 1.00 0.86 H new ATOM 0 HD3 LYS A 14 16.618 -10.823 3.084 1.00 0.86 H new ATOM 0 HE2 LYS A 14 16.186 -12.061 5.847 1.00 1.06 H new ATOM 0 HE3 LYS A 14 16.782 -12.891 4.423 1.00 1.06 H new ATOM 0 HZ1 LYS A 14 18.765 -12.344 5.338 1.00 1.41 H new ATOM 0 HZ2 LYS A 14 18.514 -10.875 4.523 1.00 1.41 H new ATOM 0 HZ3 LYS A 14 18.153 -11.001 6.177 1.00 1.41 H new ATOM 252 N ASN A 15 13.790 -7.533 7.356 1.00 0.43 N ATOM 253 CA ASN A 15 13.286 -6.563 8.356 1.00 0.33 C ATOM 254 C ASN A 15 13.084 -5.223 7.658 1.00 0.24 C ATOM 255 O ASN A 15 13.450 -5.054 6.512 1.00 0.24 O ATOM 256 CB ASN A 15 14.310 -6.410 9.483 1.00 0.47 C ATOM 257 CG ASN A 15 13.879 -7.255 10.684 1.00 0.56 C ATOM 258 OD1 ASN A 15 12.861 -6.993 11.293 1.00 1.23 O ATOM 259 ND2 ASN A 15 14.617 -8.266 11.054 1.00 1.25 N ATOM 0 H ASN A 15 14.051 -7.128 6.457 1.00 0.43 H new ATOM 0 HA ASN A 15 12.345 -6.911 8.782 1.00 0.33 H new ATOM 0 HB2 ASN A 15 15.295 -6.725 9.139 1.00 0.47 H new ATOM 0 HB3 ASN A 15 14.393 -5.363 9.773 1.00 0.47 H new ATOM 0 HD21 ASN A 15 14.339 -8.835 11.854 1.00 1.25 H new ATOM 0 HD22 ASN A 15 15.472 -8.487 10.544 1.00 1.25 H new ATOM 266 N VAL A 16 12.524 -4.265 8.330 1.00 0.24 N ATOM 267 CA VAL A 16 12.329 -2.946 7.679 1.00 0.22 C ATOM 268 C VAL A 16 13.700 -2.310 7.470 1.00 0.23 C ATOM 269 O VAL A 16 13.936 -1.593 6.514 1.00 0.25 O ATOM 270 CB VAL A 16 11.472 -2.047 8.572 1.00 0.29 C ATOM 271 CG1 VAL A 16 10.163 -2.761 8.913 1.00 0.31 C ATOM 272 CG2 VAL A 16 12.233 -1.735 9.862 1.00 0.49 C ATOM 0 H VAL A 16 12.195 -4.335 9.293 1.00 0.24 H new ATOM 0 HA VAL A 16 11.822 -3.071 6.722 1.00 0.22 H new ATOM 0 HB VAL A 16 11.252 -1.118 8.045 1.00 0.29 H new ATOM 0 HG11 VAL A 16 9.554 -2.119 9.549 1.00 0.31 H new ATOM 0 HG12 VAL A 16 9.620 -2.983 7.995 1.00 0.31 H new ATOM 0 HG13 VAL A 16 10.382 -3.691 9.439 1.00 0.31 H new ATOM 0 HG21 VAL A 16 11.623 -1.094 10.499 1.00 0.49 H new ATOM 0 HG22 VAL A 16 12.454 -2.664 10.388 1.00 0.49 H new ATOM 0 HG23 VAL A 16 13.165 -1.224 9.620 1.00 0.49 H new ATOM 282 N GLU A 17 14.621 -2.591 8.349 1.00 0.27 N ATOM 283 CA GLU A 17 15.975 -2.010 8.195 1.00 0.33 C ATOM 284 C GLU A 17 16.763 -2.795 7.151 1.00 0.34 C ATOM 285 O GLU A 17 17.532 -2.227 6.409 1.00 0.37 O ATOM 286 CB GLU A 17 16.718 -2.017 9.538 1.00 0.39 C ATOM 287 CG GLU A 17 17.420 -3.360 9.761 1.00 0.86 C ATOM 288 CD GLU A 17 17.647 -3.571 11.260 1.00 1.03 C ATOM 289 OE1 GLU A 17 18.473 -2.867 11.818 1.00 1.41 O ATOM 290 OE2 GLU A 17 16.993 -4.434 11.822 1.00 1.56 O ATOM 0 H GLU A 17 14.492 -3.194 9.161 1.00 0.27 H new ATOM 0 HA GLU A 17 15.877 -0.977 7.861 1.00 0.33 H new ATOM 0 HB2 GLU A 17 17.451 -1.210 9.558 1.00 0.39 H new ATOM 0 HB3 GLU A 17 16.015 -1.829 10.349 1.00 0.39 H new ATOM 0 HG2 GLU A 17 16.815 -4.171 9.356 1.00 0.86 H new ATOM 0 HG3 GLU A 17 18.373 -3.378 9.231 1.00 0.86 H new ATOM 297 N ASP A 18 16.610 -4.092 7.064 1.00 0.35 N ATOM 298 CA ASP A 18 17.393 -4.849 6.059 1.00 0.38 C ATOM 299 C ASP A 18 17.165 -4.294 4.671 1.00 0.35 C ATOM 300 O ASP A 18 18.063 -4.307 3.851 1.00 0.34 O ATOM 301 CB ASP A 18 16.954 -6.310 6.069 1.00 0.46 C ATOM 302 CG ASP A 18 18.157 -7.208 6.361 1.00 0.66 C ATOM 303 OD1 ASP A 18 19.106 -7.156 5.597 1.00 1.27 O ATOM 304 OD2 ASP A 18 18.107 -7.932 7.341 1.00 1.38 O ATOM 0 H ASP A 18 15.981 -4.649 7.642 1.00 0.35 H new ATOM 0 HA ASP A 18 18.449 -4.762 6.314 1.00 0.38 H new ATOM 0 HB2 ASP A 18 16.182 -6.463 6.824 1.00 0.46 H new ATOM 0 HB3 ASP A 18 16.516 -6.575 5.107 1.00 0.46 H new ATOM 309 N HIS A 19 15.995 -3.800 4.370 1.00 0.34 N ATOM 310 CA HIS A 19 15.764 -3.252 3.013 1.00 0.33 C ATOM 311 C HIS A 19 16.011 -1.746 3.036 1.00 0.28 C ATOM 312 O HIS A 19 16.302 -1.150 2.022 1.00 0.27 O ATOM 313 CB HIS A 19 14.323 -3.532 2.602 1.00 0.36 C ATOM 314 CG HIS A 19 13.947 -4.920 3.036 1.00 0.53 C ATOM 315 ND1 HIS A 19 13.062 -5.154 4.079 1.00 1.22 N ATOM 316 CD2 HIS A 19 14.321 -6.159 2.576 1.00 1.43 C ATOM 317 CE1 HIS A 19 12.934 -6.488 4.211 1.00 1.27 C ATOM 318 NE2 HIS A 19 13.680 -7.142 3.319 1.00 1.40 N ATOM 0 H HIS A 19 15.197 -3.754 5.003 1.00 0.34 H new ATOM 0 HA HIS A 19 16.442 -3.720 2.299 1.00 0.33 H new ATOM 0 HB2 HIS A 19 13.654 -2.802 3.057 1.00 0.36 H new ATOM 0 HB3 HIS A 19 14.215 -3.434 1.522 1.00 0.36 H new ATOM 0 HD1 HIS A 19 12.594 -4.445 4.643 1.00 1.22 H new ATOM 0 HD2 HIS A 19 15.007 -6.341 1.762 1.00 1.43 H new ATOM 0 HE1 HIS A 19 12.306 -6.968 4.947 1.00 1.27 H new ATOM 327 N VAL A 20 15.983 -1.130 4.193 1.00 0.26 N ATOM 328 CA VAL A 20 16.310 0.319 4.227 1.00 0.24 C ATOM 329 C VAL A 20 17.816 0.371 4.001 1.00 0.23 C ATOM 330 O VAL A 20 18.354 1.255 3.365 1.00 0.22 O ATOM 331 CB VAL A 20 15.908 0.931 5.585 1.00 0.25 C ATOM 332 CG1 VAL A 20 17.117 1.059 6.518 1.00 0.29 C ATOM 333 CG2 VAL A 20 15.308 2.318 5.362 1.00 0.29 C ATOM 0 H VAL A 20 15.754 -1.558 5.090 1.00 0.26 H new ATOM 0 HA VAL A 20 15.772 0.896 3.475 1.00 0.24 H new ATOM 0 HB VAL A 20 15.177 0.269 6.050 1.00 0.25 H new ATOM 0 HG11 VAL A 20 16.800 1.493 7.466 1.00 0.29 H new ATOM 0 HG12 VAL A 20 17.545 0.073 6.696 1.00 0.29 H new ATOM 0 HG13 VAL A 20 17.866 1.702 6.056 1.00 0.29 H new ATOM 0 HG21 VAL A 20 15.024 2.750 6.322 1.00 0.29 H new ATOM 0 HG22 VAL A 20 16.045 2.960 4.879 1.00 0.29 H new ATOM 0 HG23 VAL A 20 14.426 2.235 4.726 1.00 0.29 H new ATOM 343 N LEU A 21 18.477 -0.626 4.519 1.00 0.25 N ATOM 344 CA LEU A 21 19.947 -0.752 4.367 1.00 0.27 C ATOM 345 C LEU A 21 20.271 -1.051 2.901 1.00 0.27 C ATOM 346 O LEU A 21 21.043 -0.359 2.261 1.00 0.28 O ATOM 347 CB LEU A 21 20.430 -1.928 5.222 1.00 0.32 C ATOM 348 CG LEU A 21 20.453 -1.542 6.709 1.00 0.34 C ATOM 349 CD1 LEU A 21 20.797 -2.775 7.548 1.00 0.41 C ATOM 350 CD2 LEU A 21 21.502 -0.450 6.955 1.00 0.34 C ATOM 0 H LEU A 21 18.044 -1.378 5.056 1.00 0.25 H new ATOM 0 HA LEU A 21 20.435 0.171 4.679 1.00 0.27 H new ATOM 0 HB2 LEU A 21 19.774 -2.786 5.074 1.00 0.32 H new ATOM 0 HB3 LEU A 21 21.428 -2.230 4.904 1.00 0.32 H new ATOM 0 HG LEU A 21 19.471 -1.163 6.994 1.00 0.34 H new ATOM 0 HD11 LEU A 21 20.814 -2.504 8.604 1.00 0.41 H new ATOM 0 HD12 LEU A 21 20.046 -3.548 7.384 1.00 0.41 H new ATOM 0 HD13 LEU A 21 21.776 -3.153 7.255 1.00 0.41 H new ATOM 0 HD21 LEU A 21 21.510 -0.184 8.012 1.00 0.34 H new ATOM 0 HD22 LEU A 21 22.486 -0.819 6.667 1.00 0.34 H new ATOM 0 HD23 LEU A 21 21.257 0.431 6.361 1.00 0.34 H new ATOM 362 N ASP A 22 19.680 -2.080 2.363 1.00 0.28 N ATOM 363 CA ASP A 22 19.950 -2.436 0.941 1.00 0.31 C ATOM 364 C ASP A 22 19.388 -1.355 0.013 1.00 0.29 C ATOM 365 O ASP A 22 19.873 -1.153 -1.083 1.00 0.31 O ATOM 366 CB ASP A 22 19.284 -3.775 0.619 1.00 0.36 C ATOM 367 CG ASP A 22 19.872 -4.341 -0.674 1.00 0.44 C ATOM 368 OD1 ASP A 22 20.710 -3.676 -1.261 1.00 1.22 O ATOM 369 OD2 ASP A 22 19.476 -5.430 -1.056 1.00 1.01 O ATOM 0 H ASP A 22 19.021 -2.691 2.846 1.00 0.28 H new ATOM 0 HA ASP A 22 21.027 -2.512 0.790 1.00 0.31 H new ATOM 0 HB2 ASP A 22 19.439 -4.476 1.439 1.00 0.36 H new ATOM 0 HB3 ASP A 22 18.207 -3.641 0.513 1.00 0.36 H new ATOM 374 N VAL A 23 18.378 -0.652 0.444 1.00 0.27 N ATOM 375 CA VAL A 23 17.807 0.419 -0.425 1.00 0.27 C ATOM 376 C VAL A 23 18.786 1.590 -0.466 1.00 0.26 C ATOM 377 O VAL A 23 19.177 2.051 -1.524 1.00 0.26 O ATOM 378 CB VAL A 23 16.454 0.891 0.120 1.00 0.28 C ATOM 379 CG1 VAL A 23 16.067 2.211 -0.554 1.00 0.31 C ATOM 380 CG2 VAL A 23 15.384 -0.159 -0.191 1.00 0.32 C ATOM 0 H VAL A 23 17.926 -0.769 1.351 1.00 0.27 H new ATOM 0 HA VAL A 23 17.651 0.025 -1.429 1.00 0.27 H new ATOM 0 HB VAL A 23 16.528 1.033 1.198 1.00 0.28 H new ATOM 0 HG11 VAL A 23 15.105 2.548 -0.168 1.00 0.31 H new ATOM 0 HG12 VAL A 23 16.827 2.964 -0.343 1.00 0.31 H new ATOM 0 HG13 VAL A 23 15.993 2.062 -1.631 1.00 0.31 H new ATOM 0 HG21 VAL A 23 14.422 0.176 0.196 1.00 0.32 H new ATOM 0 HG22 VAL A 23 15.313 -0.297 -1.270 1.00 0.32 H new ATOM 0 HG23 VAL A 23 15.655 -1.105 0.279 1.00 0.32 H new ATOM 390 N ILE A 24 19.201 2.069 0.675 1.00 0.25 N ATOM 391 CA ILE A 24 20.164 3.200 0.686 1.00 0.26 C ATOM 392 C ILE A 24 21.452 2.749 0.001 1.00 0.26 C ATOM 393 O ILE A 24 22.244 3.556 -0.441 1.00 0.28 O ATOM 394 CB ILE A 24 20.446 3.640 2.130 1.00 0.30 C ATOM 395 CG1 ILE A 24 20.668 5.154 2.159 1.00 0.57 C ATOM 396 CG2 ILE A 24 21.694 2.937 2.675 1.00 0.45 C ATOM 397 CD1 ILE A 24 21.063 5.585 3.572 1.00 0.58 C ATOM 0 H ILE A 24 18.916 1.727 1.593 1.00 0.25 H new ATOM 0 HA ILE A 24 19.745 4.052 0.150 1.00 0.26 H new ATOM 0 HB ILE A 24 19.592 3.372 2.752 1.00 0.30 H new ATOM 0 HG12 ILE A 24 21.449 5.431 1.451 1.00 0.57 H new ATOM 0 HG13 ILE A 24 19.760 5.671 1.850 1.00 0.57 H new ATOM 0 HG21 ILE A 24 21.877 3.262 3.699 1.00 0.45 H new ATOM 0 HG22 ILE A 24 21.540 1.858 2.659 1.00 0.45 H new ATOM 0 HG23 ILE A 24 22.554 3.190 2.055 1.00 0.45 H new ATOM 0 HD11 ILE A 24 21.221 6.663 3.593 1.00 0.58 H new ATOM 0 HD12 ILE A 24 20.267 5.322 4.269 1.00 0.58 H new ATOM 0 HD13 ILE A 24 21.983 5.078 3.863 1.00 0.58 H new ATOM 409 N VAL A 25 21.661 1.462 -0.110 1.00 0.26 N ATOM 410 CA VAL A 25 22.891 0.975 -0.790 1.00 0.29 C ATOM 411 C VAL A 25 22.732 1.147 -2.304 1.00 0.29 C ATOM 412 O VAL A 25 23.636 1.581 -2.986 1.00 0.31 O ATOM 413 CB VAL A 25 23.106 -0.504 -0.463 1.00 0.31 C ATOM 414 CG1 VAL A 25 24.155 -1.090 -1.410 1.00 0.41 C ATOM 415 CG2 VAL A 25 23.591 -0.642 0.982 1.00 0.36 C ATOM 0 H VAL A 25 21.036 0.735 0.239 1.00 0.26 H new ATOM 0 HA VAL A 25 23.751 1.549 -0.445 1.00 0.29 H new ATOM 0 HB VAL A 25 22.166 -1.042 -0.585 1.00 0.31 H new ATOM 0 HG11 VAL A 25 24.308 -2.144 -1.177 1.00 0.41 H new ATOM 0 HG12 VAL A 25 23.811 -0.993 -2.440 1.00 0.41 H new ATOM 0 HG13 VAL A 25 25.095 -0.552 -1.290 1.00 0.41 H new ATOM 0 HG21 VAL A 25 23.744 -1.696 1.215 1.00 0.36 H new ATOM 0 HG22 VAL A 25 24.531 -0.103 1.103 1.00 0.36 H new ATOM 0 HG23 VAL A 25 22.844 -0.226 1.658 1.00 0.36 H new ATOM 425 N LEU A 26 21.596 0.788 -2.846 1.00 0.29 N ATOM 426 CA LEU A 26 21.384 0.913 -4.318 1.00 0.32 C ATOM 427 C LEU A 26 21.408 2.388 -4.746 1.00 0.32 C ATOM 428 O LEU A 26 21.890 2.732 -5.812 1.00 0.35 O ATOM 429 CB LEU A 26 20.017 0.307 -4.646 1.00 0.36 C ATOM 430 CG LEU A 26 20.167 -1.201 -4.857 1.00 0.65 C ATOM 431 CD1 LEU A 26 18.875 -1.910 -4.442 1.00 0.49 C ATOM 432 CD2 LEU A 26 20.452 -1.482 -6.334 1.00 1.19 C ATOM 0 H LEU A 26 20.802 0.412 -2.328 1.00 0.29 H new ATOM 0 HA LEU A 26 22.179 0.393 -4.852 1.00 0.32 H new ATOM 0 HB2 LEU A 26 19.316 0.504 -3.835 1.00 0.36 H new ATOM 0 HB3 LEU A 26 19.607 0.772 -5.542 1.00 0.36 H new ATOM 0 HG LEU A 26 20.993 -1.571 -4.249 1.00 0.65 H new ATOM 0 HD11 LEU A 26 18.985 -2.984 -4.593 1.00 0.49 H new ATOM 0 HD12 LEU A 26 18.672 -1.711 -3.390 1.00 0.49 H new ATOM 0 HD13 LEU A 26 18.047 -1.541 -5.047 1.00 0.49 H new ATOM 0 HD21 LEU A 26 20.559 -2.556 -6.486 1.00 1.19 H new ATOM 0 HD22 LEU A 26 19.627 -1.110 -6.941 1.00 1.19 H new ATOM 0 HD23 LEU A 26 21.374 -0.980 -6.629 1.00 1.19 H new ATOM 444 N PHE A 27 20.919 3.266 -3.917 1.00 0.31 N ATOM 445 CA PHE A 27 20.949 4.712 -4.279 1.00 0.33 C ATOM 446 C PHE A 27 22.409 5.142 -4.330 1.00 0.34 C ATOM 447 O PHE A 27 22.785 6.085 -4.997 1.00 0.37 O ATOM 448 CB PHE A 27 20.208 5.528 -3.222 1.00 0.35 C ATOM 449 CG PHE A 27 20.785 6.923 -3.168 1.00 0.44 C ATOM 450 CD1 PHE A 27 20.626 7.787 -4.258 1.00 1.19 C ATOM 451 CD2 PHE A 27 21.482 7.351 -2.031 1.00 1.38 C ATOM 452 CE1 PHE A 27 21.161 9.079 -4.210 1.00 1.22 C ATOM 453 CE2 PHE A 27 22.018 8.644 -1.985 1.00 1.46 C ATOM 454 CZ PHE A 27 21.857 9.507 -3.074 1.00 0.71 C ATOM 0 H PHE A 27 20.503 3.049 -3.011 1.00 0.31 H new ATOM 0 HA PHE A 27 20.465 4.876 -5.242 1.00 0.33 H new ATOM 0 HB2 PHE A 27 19.145 5.571 -3.460 1.00 0.35 H new ATOM 0 HB3 PHE A 27 20.297 5.048 -2.248 1.00 0.35 H new ATOM 0 HD1 PHE A 27 20.091 7.456 -5.136 1.00 1.19 H new ATOM 0 HD2 PHE A 27 21.606 6.684 -1.190 1.00 1.38 H new ATOM 0 HE1 PHE A 27 21.037 9.746 -5.050 1.00 1.22 H new ATOM 0 HE2 PHE A 27 22.556 8.975 -1.109 1.00 1.46 H new ATOM 0 HZ PHE A 27 22.270 10.504 -3.038 1.00 0.71 H new ATOM 464 N ASN A 28 23.227 4.427 -3.617 1.00 0.33 N ATOM 465 CA ASN A 28 24.678 4.745 -3.590 1.00 0.36 C ATOM 466 C ASN A 28 25.280 4.542 -4.985 1.00 0.38 C ATOM 467 O ASN A 28 26.284 5.139 -5.317 1.00 0.41 O ATOM 468 CB ASN A 28 25.386 3.836 -2.588 1.00 0.35 C ATOM 469 CG ASN A 28 26.351 4.665 -1.739 1.00 0.39 C ATOM 470 OD1 ASN A 28 25.967 5.223 -0.730 1.00 1.15 O ATOM 471 ND2 ASN A 28 27.599 4.769 -2.106 1.00 0.98 N ATOM 0 H ASN A 28 22.950 3.628 -3.046 1.00 0.33 H new ATOM 0 HA ASN A 28 24.811 5.784 -3.290 1.00 0.36 H new ATOM 0 HB2 ASN A 28 24.654 3.343 -1.948 1.00 0.35 H new ATOM 0 HB3 ASN A 28 25.930 3.051 -3.114 1.00 0.35 H new ATOM 0 HD21 ASN A 28 28.251 5.318 -1.546 1.00 0.98 H new ATOM 0 HD22 ASN A 28 27.922 4.301 -2.953 1.00 0.98 H new ATOM 478 N GLN A 29 24.690 3.708 -5.810 1.00 0.38 N ATOM 479 CA GLN A 29 25.257 3.490 -7.169 1.00 0.40 C ATOM 480 C GLN A 29 24.600 4.461 -8.149 1.00 0.43 C ATOM 481 O GLN A 29 24.885 4.457 -9.329 1.00 0.51 O ATOM 482 CB GLN A 29 24.983 2.050 -7.608 1.00 0.40 C ATOM 483 CG GLN A 29 25.371 1.092 -6.481 1.00 0.38 C ATOM 484 CD GLN A 29 25.103 -0.349 -6.917 1.00 0.40 C ATOM 485 OE1 GLN A 29 25.680 -0.823 -7.876 1.00 1.17 O ATOM 486 NE2 GLN A 29 24.244 -1.072 -6.250 1.00 1.10 N ATOM 0 H GLN A 29 23.847 3.175 -5.598 1.00 0.38 H new ATOM 0 HA GLN A 29 26.333 3.663 -7.152 1.00 0.40 H new ATOM 0 HB2 GLN A 29 23.929 1.928 -7.856 1.00 0.40 H new ATOM 0 HB3 GLN A 29 25.552 1.818 -8.509 1.00 0.40 H new ATOM 0 HG2 GLN A 29 26.424 1.217 -6.231 1.00 0.38 H new ATOM 0 HG3 GLN A 29 24.800 1.323 -5.582 1.00 0.38 H new ATOM 0 HE21 GLN A 29 23.759 -0.675 -5.445 1.00 1.10 H new ATOM 0 HE22 GLN A 29 24.058 -2.034 -6.534 1.00 1.10 H new ATOM 495 N GLY A 30 23.719 5.291 -7.658 1.00 0.39 N ATOM 496 CA GLY A 30 23.028 6.273 -8.542 1.00 0.42 C ATOM 497 C GLY A 30 21.602 5.796 -8.822 1.00 0.37 C ATOM 498 O GLY A 30 20.928 6.311 -9.691 1.00 0.39 O ATOM 0 H GLY A 30 23.447 5.331 -6.676 1.00 0.39 H new ATOM 0 HA2 GLY A 30 23.008 7.254 -8.067 1.00 0.42 H new ATOM 0 HA3 GLY A 30 23.576 6.384 -9.478 1.00 0.42 H new ATOM 502 N ILE A 31 21.136 4.815 -8.097 1.00 0.33 N ATOM 503 CA ILE A 31 19.754 4.313 -8.335 1.00 0.31 C ATOM 504 C ILE A 31 18.772 5.333 -7.771 1.00 0.28 C ATOM 505 O ILE A 31 18.648 5.489 -6.573 1.00 0.30 O ATOM 506 CB ILE A 31 19.583 2.966 -7.636 1.00 0.30 C ATOM 507 CG1 ILE A 31 20.660 1.991 -8.157 1.00 0.35 C ATOM 508 CG2 ILE A 31 18.177 2.413 -7.879 1.00 0.31 C ATOM 509 CD1 ILE A 31 20.373 1.526 -9.594 1.00 0.35 C ATOM 0 H ILE A 31 21.650 4.342 -7.354 1.00 0.33 H new ATOM 0 HA ILE A 31 19.569 4.179 -9.401 1.00 0.31 H new ATOM 0 HB ILE A 31 19.706 3.091 -6.560 1.00 0.30 H new ATOM 0 HG12 ILE A 31 21.635 2.476 -8.122 1.00 0.35 H new ATOM 0 HG13 ILE A 31 20.712 1.123 -7.499 1.00 0.35 H new ATOM 0 HG21 ILE A 31 18.071 1.453 -7.374 1.00 0.31 H new ATOM 0 HG22 ILE A 31 17.438 3.112 -7.487 1.00 0.31 H new ATOM 0 HG23 ILE A 31 18.018 2.280 -8.949 1.00 0.31 H new ATOM 0 HD11 ILE A 31 21.157 0.842 -9.918 1.00 0.35 H new ATOM 0 HD12 ILE A 31 19.410 1.016 -9.626 1.00 0.35 H new ATOM 0 HD13 ILE A 31 20.348 2.390 -10.258 1.00 0.35 H new ATOM 521 N ASP A 32 18.075 6.035 -8.626 1.00 0.26 N ATOM 522 CA ASP A 32 17.111 7.049 -8.138 1.00 0.27 C ATOM 523 C ASP A 32 15.716 6.446 -8.014 1.00 0.28 C ATOM 524 O ASP A 32 14.992 6.734 -7.083 1.00 0.45 O ATOM 525 CB ASP A 32 17.075 8.224 -9.116 1.00 0.30 C ATOM 526 CG ASP A 32 18.493 8.758 -9.327 1.00 0.72 C ATOM 527 OD1 ASP A 32 19.261 8.735 -8.378 1.00 1.55 O ATOM 528 OD2 ASP A 32 18.788 9.182 -10.432 1.00 1.22 O ATOM 0 H ASP A 32 18.136 5.946 -9.640 1.00 0.26 H new ATOM 0 HA ASP A 32 17.430 7.394 -7.154 1.00 0.27 H new ATOM 0 HB2 ASP A 32 16.650 7.905 -10.068 1.00 0.30 H new ATOM 0 HB3 ASP A 32 16.432 9.014 -8.728 1.00 0.30 H new ATOM 533 N GLU A 33 15.315 5.641 -8.965 1.00 0.26 N ATOM 534 CA GLU A 33 13.952 5.055 -8.920 1.00 0.27 C ATOM 535 C GLU A 33 14.002 3.676 -8.279 1.00 0.23 C ATOM 536 O GLU A 33 14.928 2.918 -8.483 1.00 0.23 O ATOM 537 CB GLU A 33 13.385 4.922 -10.334 1.00 0.29 C ATOM 538 CG GLU A 33 13.448 6.272 -11.056 1.00 0.48 C ATOM 539 CD GLU A 33 12.068 6.931 -11.040 1.00 0.71 C ATOM 540 OE1 GLU A 33 11.107 6.257 -11.374 1.00 1.15 O ATOM 541 OE2 GLU A 33 11.996 8.100 -10.699 1.00 1.58 O ATOM 0 H GLU A 33 15.878 5.367 -9.770 1.00 0.26 H new ATOM 0 HA GLU A 33 13.313 5.714 -8.332 1.00 0.27 H new ATOM 0 HB2 GLU A 33 13.950 4.176 -10.892 1.00 0.29 H new ATOM 0 HB3 GLU A 33 12.353 4.573 -10.289 1.00 0.29 H new ATOM 0 HG2 GLU A 33 14.177 6.921 -10.571 1.00 0.48 H new ATOM 0 HG3 GLU A 33 13.782 6.130 -12.084 1.00 0.48 H new ATOM 548 N VAL A 34 13.015 3.346 -7.501 1.00 0.21 N ATOM 549 CA VAL A 34 13.026 2.015 -6.850 1.00 0.20 C ATOM 550 C VAL A 34 11.598 1.533 -6.588 1.00 0.19 C ATOM 551 O VAL A 34 10.728 2.292 -6.192 1.00 0.20 O ATOM 552 CB VAL A 34 13.807 2.098 -5.537 1.00 0.21 C ATOM 553 CG1 VAL A 34 13.024 2.936 -4.535 1.00 0.54 C ATOM 554 CG2 VAL A 34 14.020 0.691 -4.968 1.00 0.43 C ATOM 0 H VAL A 34 12.209 3.934 -7.290 1.00 0.21 H new ATOM 0 HA VAL A 34 13.510 1.298 -7.513 1.00 0.20 H new ATOM 0 HB VAL A 34 14.776 2.560 -5.724 1.00 0.21 H new ATOM 0 HG11 VAL A 34 13.579 2.996 -3.599 1.00 0.54 H new ATOM 0 HG12 VAL A 34 12.878 3.939 -4.935 1.00 0.54 H new ATOM 0 HG13 VAL A 34 12.054 2.473 -4.353 1.00 0.54 H new ATOM 0 HG21 VAL A 34 14.577 0.757 -4.033 1.00 0.43 H new ATOM 0 HG22 VAL A 34 13.053 0.223 -4.782 1.00 0.43 H new ATOM 0 HG23 VAL A 34 14.582 0.090 -5.683 1.00 0.43 H new ATOM 564 N ILE A 35 11.362 0.272 -6.847 1.00 0.19 N ATOM 565 CA ILE A 35 10.001 -0.307 -6.656 1.00 0.19 C ATOM 566 C ILE A 35 10.033 -1.388 -5.585 1.00 0.19 C ATOM 567 O ILE A 35 10.747 -2.362 -5.707 1.00 0.20 O ATOM 568 CB ILE A 35 9.533 -0.889 -7.984 1.00 0.19 C ATOM 569 CG1 ILE A 35 10.083 -0.003 -9.102 1.00 0.22 C ATOM 570 CG2 ILE A 35 8.002 -0.900 -8.029 1.00 0.19 C ATOM 571 CD1 ILE A 35 9.174 -0.086 -10.333 1.00 0.25 C ATOM 0 H ILE A 35 12.063 -0.387 -7.186 1.00 0.19 H new ATOM 0 HA ILE A 35 9.310 0.470 -6.329 1.00 0.19 H new ATOM 0 HB ILE A 35 9.890 -1.912 -8.103 1.00 0.19 H new ATOM 0 HG12 ILE A 35 10.151 1.029 -8.759 1.00 0.22 H new ATOM 0 HG13 ILE A 35 11.093 -0.319 -9.364 1.00 0.22 H new ATOM 0 HG21 ILE A 35 7.669 -1.317 -8.980 1.00 0.19 H new ATOM 0 HG22 ILE A 35 7.618 -1.510 -7.211 1.00 0.19 H new ATOM 0 HG23 ILE A 35 7.628 0.119 -7.928 1.00 0.19 H new ATOM 0 HD11 ILE A 35 9.574 0.548 -11.124 1.00 0.25 H new ATOM 0 HD12 ILE A 35 9.129 -1.117 -10.683 1.00 0.25 H new ATOM 0 HD13 ILE A 35 8.172 0.252 -10.069 1.00 0.25 H new ATOM 583 N LEU A 36 9.246 -1.233 -4.544 1.00 0.21 N ATOM 584 CA LEU A 36 9.213 -2.265 -3.473 1.00 0.23 C ATOM 585 C LEU A 36 7.937 -3.091 -3.605 1.00 0.23 C ATOM 586 O LEU A 36 6.843 -2.569 -3.518 1.00 0.24 O ATOM 587 CB LEU A 36 9.249 -1.612 -2.092 1.00 0.24 C ATOM 588 CG LEU A 36 10.615 -1.875 -1.446 1.00 0.30 C ATOM 589 CD1 LEU A 36 11.701 -1.136 -2.231 1.00 0.40 C ATOM 590 CD2 LEU A 36 10.605 -1.372 -0.006 1.00 0.30 C ATOM 0 H LEU A 36 8.628 -0.435 -4.396 1.00 0.21 H new ATOM 0 HA LEU A 36 10.088 -2.906 -3.581 1.00 0.23 H new ATOM 0 HB2 LEU A 36 9.075 -0.540 -2.179 1.00 0.24 H new ATOM 0 HB3 LEU A 36 8.453 -2.014 -1.465 1.00 0.24 H new ATOM 0 HG LEU A 36 10.819 -2.946 -1.457 1.00 0.30 H new ATOM 0 HD11 LEU A 36 12.672 -1.322 -1.772 1.00 0.40 H new ATOM 0 HD12 LEU A 36 11.712 -1.492 -3.261 1.00 0.40 H new ATOM 0 HD13 LEU A 36 11.494 -0.066 -2.220 1.00 0.40 H new ATOM 0 HD21 LEU A 36 11.576 -1.560 0.452 1.00 0.30 H new ATOM 0 HD22 LEU A 36 10.400 -0.302 0.004 1.00 0.30 H new ATOM 0 HD23 LEU A 36 9.832 -1.895 0.557 1.00 0.30 H new ATOM 602 N LYS A 37 8.075 -4.375 -3.787 1.00 0.23 N ATOM 603 CA LYS A 37 6.874 -5.249 -3.895 1.00 0.23 C ATOM 604 C LYS A 37 6.772 -6.107 -2.620 1.00 0.18 C ATOM 605 O LYS A 37 7.755 -6.635 -2.140 1.00 0.19 O ATOM 606 CB LYS A 37 6.983 -6.123 -5.147 1.00 0.31 C ATOM 607 CG LYS A 37 8.075 -5.586 -6.078 1.00 1.23 C ATOM 608 CD LYS A 37 8.091 -6.405 -7.370 1.00 1.52 C ATOM 609 CE LYS A 37 7.158 -5.763 -8.398 1.00 2.39 C ATOM 610 NZ LYS A 37 7.757 -4.489 -8.886 1.00 2.74 N ATOM 0 H LYS A 37 8.970 -4.858 -3.866 1.00 0.23 H new ATOM 0 HA LYS A 37 5.970 -4.646 -3.987 1.00 0.23 H new ATOM 0 HB2 LYS A 37 7.211 -7.150 -4.863 1.00 0.31 H new ATOM 0 HB3 LYS A 37 6.027 -6.142 -5.670 1.00 0.31 H new ATOM 0 HG2 LYS A 37 7.892 -4.535 -6.303 1.00 1.23 H new ATOM 0 HG3 LYS A 37 9.047 -5.642 -5.587 1.00 1.23 H new ATOM 0 HD2 LYS A 37 9.105 -6.457 -7.767 1.00 1.52 H new ATOM 0 HD3 LYS A 37 7.776 -7.428 -7.167 1.00 1.52 H new ATOM 0 HE2 LYS A 37 6.996 -6.444 -9.233 1.00 2.39 H new ATOM 0 HE3 LYS A 37 6.183 -5.571 -7.950 1.00 2.39 H new ATOM 0 HZ1 LYS A 37 7.413 -4.290 -9.847 1.00 2.74 H new ATOM 0 HZ2 LYS A 37 7.483 -3.711 -8.252 1.00 2.74 H new ATOM 0 HZ3 LYS A 37 8.793 -4.576 -8.900 1.00 2.74 H new ATOM 624 N GLY A 38 5.597 -6.222 -2.046 1.00 0.18 N ATOM 625 CA GLY A 38 5.460 -7.021 -0.775 1.00 0.21 C ATOM 626 C GLY A 38 4.044 -7.610 -0.625 1.00 0.18 C ATOM 627 O GLY A 38 3.130 -7.239 -1.328 1.00 0.19 O ATOM 0 H GLY A 38 4.734 -5.804 -2.394 1.00 0.18 H new ATOM 0 HA2 GLY A 38 6.193 -7.828 -0.771 1.00 0.21 H new ATOM 0 HA3 GLY A 38 5.682 -6.384 0.081 1.00 0.21 H new ATOM 631 N THR A 39 3.880 -8.571 0.267 1.00 0.20 N ATOM 632 CA THR A 39 2.529 -9.223 0.427 1.00 0.25 C ATOM 633 C THR A 39 2.211 -9.635 1.872 1.00 0.23 C ATOM 634 O THR A 39 3.076 -9.934 2.662 1.00 0.22 O ATOM 635 CB THR A 39 2.475 -10.489 -0.429 1.00 0.28 C ATOM 636 OG1 THR A 39 2.843 -11.606 0.368 1.00 0.43 O ATOM 637 CG2 THR A 39 3.437 -10.373 -1.606 1.00 0.56 C ATOM 0 H THR A 39 4.611 -8.927 0.882 1.00 0.20 H new ATOM 0 HA THR A 39 1.796 -8.478 0.118 1.00 0.25 H new ATOM 0 HB THR A 39 1.462 -10.618 -0.811 1.00 0.28 H new ATOM 0 HG1 THR A 39 3.405 -12.212 -0.158 1.00 0.43 H new ATOM 0 HG21 THR A 39 3.388 -11.281 -2.207 1.00 0.56 H new ATOM 0 HG22 THR A 39 3.159 -9.516 -2.220 1.00 0.56 H new ATOM 0 HG23 THR A 39 4.453 -10.238 -1.234 1.00 0.56 H new ATOM 645 N GLY A 40 0.934 -9.667 2.189 1.00 0.27 N ATOM 646 CA GLY A 40 0.466 -10.078 3.552 1.00 0.30 C ATOM 647 C GLY A 40 1.399 -9.554 4.638 1.00 0.29 C ATOM 648 O GLY A 40 1.165 -8.526 5.225 1.00 0.33 O ATOM 0 H GLY A 40 0.183 -9.420 1.545 1.00 0.27 H new ATOM 0 HA2 GLY A 40 -0.542 -9.700 3.722 1.00 0.30 H new ATOM 0 HA3 GLY A 40 0.413 -11.165 3.608 1.00 0.30 H new ATOM 652 N ARG A 41 2.433 -10.278 4.936 1.00 0.27 N ATOM 653 CA ARG A 41 3.372 -9.836 6.005 1.00 0.28 C ATOM 654 C ARG A 41 4.360 -8.827 5.429 1.00 0.24 C ATOM 655 O ARG A 41 4.520 -7.738 5.944 1.00 0.25 O ATOM 656 CB ARG A 41 4.135 -11.045 6.548 1.00 0.31 C ATOM 657 CG ARG A 41 4.187 -12.141 5.476 1.00 0.64 C ATOM 658 CD ARG A 41 2.898 -12.980 5.495 1.00 0.92 C ATOM 659 NE ARG A 41 1.816 -12.256 6.224 1.00 1.69 N ATOM 660 CZ ARG A 41 0.627 -12.787 6.328 1.00 2.12 C ATOM 661 NH1 ARG A 41 0.383 -13.952 5.793 1.00 2.03 N ATOM 662 NH2 ARG A 41 -0.317 -12.151 6.968 1.00 3.09 N ATOM 0 H ARG A 41 2.673 -11.161 4.486 1.00 0.27 H new ATOM 0 HA ARG A 41 2.808 -9.371 6.813 1.00 0.28 H new ATOM 0 HB2 ARG A 41 5.145 -10.752 6.833 1.00 0.31 H new ATOM 0 HB3 ARG A 41 3.647 -11.423 7.446 1.00 0.31 H new ATOM 0 HG2 ARG A 41 4.319 -11.689 4.493 1.00 0.64 H new ATOM 0 HG3 ARG A 41 5.049 -12.785 5.649 1.00 0.64 H new ATOM 0 HD2 ARG A 41 2.579 -13.191 4.474 1.00 0.92 H new ATOM 0 HD3 ARG A 41 3.089 -13.940 5.974 1.00 0.92 H new ATOM 0 HE ARG A 41 2.005 -11.345 6.642 1.00 1.69 H new ATOM 0 HH11 ARG A 41 1.121 -14.448 5.293 1.00 2.03 H new ATOM 0 HH12 ARG A 41 -0.546 -14.366 5.874 1.00 2.03 H new ATOM 0 HH21 ARG A 41 -0.126 -11.241 7.386 1.00 3.09 H new ATOM 0 HH22 ARG A 41 -1.246 -12.565 7.050 1.00 3.09 H new ATOM 676 N GLU A 42 5.038 -9.181 4.376 1.00 0.21 N ATOM 677 CA GLU A 42 6.025 -8.243 3.785 1.00 0.18 C ATOM 678 C GLU A 42 5.308 -6.963 3.361 1.00 0.17 C ATOM 679 O GLU A 42 5.915 -5.923 3.202 1.00 0.18 O ATOM 680 CB GLU A 42 6.689 -8.881 2.557 1.00 0.16 C ATOM 681 CG GLU A 42 6.322 -10.367 2.447 1.00 0.20 C ATOM 682 CD GLU A 42 7.044 -10.984 1.248 1.00 0.22 C ATOM 683 OE1 GLU A 42 7.262 -10.270 0.282 1.00 1.06 O ATOM 684 OE2 GLU A 42 7.368 -12.158 1.316 1.00 1.09 O ATOM 0 H GLU A 42 4.951 -10.079 3.900 1.00 0.21 H new ATOM 0 HA GLU A 42 6.791 -8.015 4.526 1.00 0.18 H new ATOM 0 HB2 GLU A 42 6.374 -8.357 1.655 1.00 0.16 H new ATOM 0 HB3 GLU A 42 7.771 -8.774 2.627 1.00 0.16 H new ATOM 0 HG2 GLU A 42 6.601 -10.890 3.362 1.00 0.20 H new ATOM 0 HG3 GLU A 42 5.244 -10.479 2.333 1.00 0.20 H new ATOM 691 N ILE A 43 4.021 -7.025 3.177 1.00 0.19 N ATOM 692 CA ILE A 43 3.257 -5.813 2.767 1.00 0.20 C ATOM 693 C ILE A 43 3.543 -4.640 3.720 1.00 0.22 C ATOM 694 O ILE A 43 3.643 -3.508 3.300 1.00 0.24 O ATOM 695 CB ILE A 43 1.766 -6.169 2.815 1.00 0.26 C ATOM 696 CG1 ILE A 43 0.951 -5.293 1.840 1.00 0.40 C ATOM 697 CG2 ILE A 43 1.247 -6.026 4.247 1.00 0.38 C ATOM 698 CD1 ILE A 43 0.956 -3.807 2.241 1.00 0.87 C ATOM 0 H ILE A 43 3.460 -7.869 3.293 1.00 0.19 H new ATOM 0 HA ILE A 43 3.553 -5.507 1.764 1.00 0.20 H new ATOM 0 HB ILE A 43 1.644 -7.205 2.498 1.00 0.26 H new ATOM 0 HG12 ILE A 43 1.360 -5.396 0.835 1.00 0.40 H new ATOM 0 HG13 ILE A 43 -0.077 -5.653 1.805 1.00 0.40 H new ATOM 0 HG21 ILE A 43 0.187 -6.280 4.277 1.00 0.38 H new ATOM 0 HG22 ILE A 43 1.800 -6.698 4.903 1.00 0.38 H new ATOM 0 HG23 ILE A 43 1.384 -4.998 4.583 1.00 0.38 H new ATOM 0 HD11 ILE A 43 0.369 -3.234 1.523 1.00 0.87 H new ATOM 0 HD12 ILE A 43 0.522 -3.697 3.235 1.00 0.87 H new ATOM 0 HD13 ILE A 43 1.981 -3.436 2.250 1.00 0.87 H new ATOM 710 N SER A 44 3.678 -4.894 4.995 1.00 0.24 N ATOM 711 CA SER A 44 3.947 -3.791 5.957 1.00 0.27 C ATOM 712 C SER A 44 5.435 -3.482 5.947 1.00 0.26 C ATOM 713 O SER A 44 5.850 -2.373 6.219 1.00 0.27 O ATOM 714 CB SER A 44 3.523 -4.236 7.357 1.00 0.31 C ATOM 715 OG SER A 44 3.471 -5.656 7.401 1.00 1.14 O ATOM 0 H SER A 44 3.613 -5.823 5.411 1.00 0.24 H new ATOM 0 HA SER A 44 3.387 -2.900 5.675 1.00 0.27 H new ATOM 0 HB2 SER A 44 4.229 -3.863 8.099 1.00 0.31 H new ATOM 0 HB3 SER A 44 2.548 -3.817 7.605 1.00 0.31 H new ATOM 0 HG SER A 44 3.201 -5.946 8.297 1.00 1.14 H new ATOM 721 N LYS A 45 6.243 -4.437 5.588 1.00 0.25 N ATOM 722 CA LYS A 45 7.690 -4.142 5.519 1.00 0.25 C ATOM 723 C LYS A 45 7.839 -3.059 4.459 1.00 0.23 C ATOM 724 O LYS A 45 8.159 -1.927 4.760 1.00 0.25 O ATOM 725 CB LYS A 45 8.477 -5.398 5.132 1.00 0.24 C ATOM 726 CG LYS A 45 8.708 -6.265 6.373 1.00 0.42 C ATOM 727 CD LYS A 45 7.388 -6.458 7.126 1.00 0.90 C ATOM 728 CE LYS A 45 7.525 -7.632 8.095 1.00 0.82 C ATOM 729 NZ LYS A 45 6.705 -7.371 9.312 1.00 1.86 N ATOM 0 H LYS A 45 5.968 -5.389 5.345 1.00 0.25 H new ATOM 0 HA LYS A 45 8.082 -3.813 6.482 1.00 0.25 H new ATOM 0 HB2 LYS A 45 7.930 -5.964 4.378 1.00 0.24 H new ATOM 0 HB3 LYS A 45 9.433 -5.118 4.689 1.00 0.24 H new ATOM 0 HG2 LYS A 45 9.115 -7.233 6.081 1.00 0.42 H new ATOM 0 HG3 LYS A 45 9.443 -5.794 7.025 1.00 0.42 H new ATOM 0 HD2 LYS A 45 7.131 -5.550 7.671 1.00 0.90 H new ATOM 0 HD3 LYS A 45 6.578 -6.646 6.421 1.00 0.90 H new ATOM 0 HE2 LYS A 45 7.198 -8.554 7.614 1.00 0.82 H new ATOM 0 HE3 LYS A 45 8.571 -7.770 8.371 1.00 0.82 H new ATOM 0 HZ1 LYS A 45 6.798 -8.170 9.971 1.00 1.86 H new ATOM 0 HZ2 LYS A 45 7.037 -6.500 9.774 1.00 1.86 H new ATOM 0 HZ3 LYS A 45 5.707 -7.260 9.041 1.00 1.86 H new ATOM 743 N ALA A 46 7.609 -3.416 3.220 1.00 0.22 N ATOM 744 CA ALA A 46 7.724 -2.432 2.097 1.00 0.23 C ATOM 745 C ALA A 46 7.282 -1.035 2.565 1.00 0.22 C ATOM 746 O ALA A 46 7.959 -0.053 2.337 1.00 0.29 O ATOM 747 CB ALA A 46 6.840 -2.885 0.930 1.00 0.25 C ATOM 0 H ALA A 46 7.343 -4.358 2.935 1.00 0.22 H new ATOM 0 HA ALA A 46 8.764 -2.383 1.774 1.00 0.23 H new ATOM 0 HB1 ALA A 46 6.923 -2.170 0.112 1.00 0.25 H new ATOM 0 HB2 ALA A 46 7.165 -3.867 0.587 1.00 0.25 H new ATOM 0 HB3 ALA A 46 5.803 -2.941 1.260 1.00 0.25 H new ATOM 753 N VAL A 47 6.158 -0.942 3.227 1.00 0.17 N ATOM 754 CA VAL A 47 5.682 0.389 3.721 1.00 0.17 C ATOM 755 C VAL A 47 6.692 0.955 4.718 1.00 0.17 C ATOM 756 O VAL A 47 7.352 1.940 4.455 1.00 0.16 O ATOM 757 CB VAL A 47 4.328 0.239 4.428 1.00 0.18 C ATOM 758 CG1 VAL A 47 3.931 1.575 5.068 1.00 0.22 C ATOM 759 CG2 VAL A 47 3.256 -0.185 3.422 1.00 0.20 C ATOM 0 H VAL A 47 5.548 -1.729 3.448 1.00 0.17 H new ATOM 0 HA VAL A 47 5.577 1.060 2.868 1.00 0.17 H new ATOM 0 HB VAL A 47 4.413 -0.524 5.201 1.00 0.18 H new ATOM 0 HG11 VAL A 47 2.969 1.467 5.570 1.00 0.22 H new ATOM 0 HG12 VAL A 47 4.688 1.870 5.795 1.00 0.22 H new ATOM 0 HG13 VAL A 47 3.853 2.340 4.295 1.00 0.22 H new ATOM 0 HG21 VAL A 47 2.299 -0.289 3.933 1.00 0.20 H new ATOM 0 HG22 VAL A 47 3.171 0.571 2.641 1.00 0.20 H new ATOM 0 HG23 VAL A 47 3.534 -1.139 2.975 1.00 0.20 H new ATOM 769 N ASP A 48 6.811 0.338 5.865 1.00 0.20 N ATOM 770 CA ASP A 48 7.775 0.835 6.888 1.00 0.23 C ATOM 771 C ASP A 48 9.099 1.146 6.204 1.00 0.24 C ATOM 772 O ASP A 48 9.666 2.207 6.371 1.00 0.26 O ATOM 773 CB ASP A 48 7.999 -0.244 7.951 1.00 0.26 C ATOM 774 CG ASP A 48 8.082 0.410 9.331 1.00 0.44 C ATOM 775 OD1 ASP A 48 9.143 0.912 9.665 1.00 1.11 O ATOM 776 OD2 ASP A 48 7.084 0.398 10.032 1.00 1.26 O ATOM 0 H ASP A 48 6.281 -0.490 6.137 1.00 0.20 H new ATOM 0 HA ASP A 48 7.378 1.732 7.363 1.00 0.23 H new ATOM 0 HB2 ASP A 48 7.184 -0.967 7.928 1.00 0.26 H new ATOM 0 HB3 ASP A 48 8.917 -0.792 7.741 1.00 0.26 H new ATOM 781 N VAL A 49 9.584 0.219 5.428 1.00 0.26 N ATOM 782 CA VAL A 49 10.867 0.445 4.714 1.00 0.30 C ATOM 783 C VAL A 49 10.840 1.840 4.095 1.00 0.29 C ATOM 784 O VAL A 49 11.692 2.662 4.362 1.00 0.29 O ATOM 785 CB VAL A 49 11.041 -0.598 3.613 1.00 0.37 C ATOM 786 CG1 VAL A 49 12.201 -0.187 2.705 1.00 1.06 C ATOM 787 CG2 VAL A 49 11.347 -1.955 4.248 1.00 0.95 C ATOM 0 H VAL A 49 9.146 -0.686 5.258 1.00 0.26 H new ATOM 0 HA VAL A 49 11.698 0.360 5.414 1.00 0.30 H new ATOM 0 HB VAL A 49 10.126 -0.668 3.025 1.00 0.37 H new ATOM 0 HG11 VAL A 49 12.328 -0.930 1.918 1.00 1.06 H new ATOM 0 HG12 VAL A 49 11.986 0.783 2.257 1.00 1.06 H new ATOM 0 HG13 VAL A 49 13.117 -0.121 3.292 1.00 1.06 H new ATOM 0 HG21 VAL A 49 11.472 -2.703 3.465 1.00 0.95 H new ATOM 0 HG22 VAL A 49 12.264 -1.885 4.833 1.00 0.95 H new ATOM 0 HG23 VAL A 49 10.523 -2.246 4.900 1.00 0.95 H new ATOM 797 N TYR A 50 9.866 2.116 3.271 1.00 0.31 N ATOM 798 CA TYR A 50 9.780 3.456 2.632 1.00 0.34 C ATOM 799 C TYR A 50 9.583 4.535 3.696 1.00 0.30 C ATOM 800 O TYR A 50 10.374 5.448 3.808 1.00 0.30 O ATOM 801 CB TYR A 50 8.601 3.459 1.659 1.00 0.40 C ATOM 802 CG TYR A 50 7.919 4.809 1.652 1.00 1.14 C ATOM 803 CD1 TYR A 50 8.665 5.975 1.443 1.00 1.88 C ATOM 804 CD2 TYR A 50 6.532 4.894 1.840 1.00 2.13 C ATOM 805 CE1 TYR A 50 8.030 7.220 1.423 1.00 2.70 C ATOM 806 CE2 TYR A 50 5.897 6.141 1.818 1.00 2.97 C ATOM 807 CZ TYR A 50 6.646 7.305 1.609 1.00 3.06 C ATOM 808 OH TYR A 50 6.020 8.534 1.588 1.00 4.02 O ATOM 0 H TYR A 50 9.123 1.466 3.013 1.00 0.31 H new ATOM 0 HA TYR A 50 10.704 3.668 2.095 1.00 0.34 H new ATOM 0 HB2 TYR A 50 8.950 3.217 0.655 1.00 0.40 H new ATOM 0 HB3 TYR A 50 7.887 2.686 1.943 1.00 0.40 H new ATOM 0 HD1 TYR A 50 9.733 5.912 1.297 1.00 1.88 H new ATOM 0 HD2 TYR A 50 5.953 3.997 2.002 1.00 2.13 H new ATOM 0 HE1 TYR A 50 8.609 8.118 1.264 1.00 2.70 H new ATOM 0 HE2 TYR A 50 4.829 6.205 1.962 1.00 2.97 H new ATOM 0 HH TYR A 50 5.058 8.414 1.732 1.00 4.02 H new ATOM 818 N ASN A 51 8.539 4.440 4.477 1.00 0.30 N ATOM 819 CA ASN A 51 8.305 5.462 5.531 1.00 0.30 C ATOM 820 C ASN A 51 9.615 5.682 6.270 1.00 0.29 C ATOM 821 O ASN A 51 10.108 6.786 6.389 1.00 0.29 O ATOM 822 CB ASN A 51 7.250 4.950 6.509 1.00 0.32 C ATOM 823 CG ASN A 51 7.010 6.002 7.594 1.00 0.61 C ATOM 824 OD1 ASN A 51 6.017 6.702 7.568 1.00 1.34 O ATOM 825 ND2 ASN A 51 7.883 6.144 8.552 1.00 1.28 N ATOM 0 H ASN A 51 7.841 3.698 4.428 1.00 0.30 H new ATOM 0 HA ASN A 51 7.956 6.395 5.087 1.00 0.30 H new ATOM 0 HB2 ASN A 51 6.321 4.738 5.980 1.00 0.32 H new ATOM 0 HB3 ASN A 51 7.580 4.015 6.961 1.00 0.32 H new ATOM 0 HD21 ASN A 51 7.732 6.843 9.280 1.00 1.28 H new ATOM 0 HD22 ASN A 51 8.716 5.556 8.574 1.00 1.28 H new ATOM 832 N SER A 52 10.175 4.624 6.767 1.00 0.30 N ATOM 833 CA SER A 52 11.453 4.742 7.505 1.00 0.30 C ATOM 834 C SER A 52 12.503 5.341 6.569 1.00 0.29 C ATOM 835 O SER A 52 13.352 6.104 6.985 1.00 0.28 O ATOM 836 CB SER A 52 11.912 3.363 7.973 1.00 0.33 C ATOM 837 OG SER A 52 10.785 2.613 8.405 1.00 1.04 O ATOM 0 H SER A 52 9.801 3.678 6.694 1.00 0.30 H new ATOM 0 HA SER A 52 11.318 5.383 8.377 1.00 0.30 H new ATOM 0 HB2 SER A 52 12.420 2.842 7.162 1.00 0.33 H new ATOM 0 HB3 SER A 52 12.630 3.463 8.787 1.00 0.33 H new ATOM 0 HG SER A 52 10.431 2.092 7.654 1.00 1.04 H new ATOM 843 N LEU A 53 12.446 5.020 5.300 1.00 0.28 N ATOM 844 CA LEU A 53 13.428 5.591 4.344 1.00 0.28 C ATOM 845 C LEU A 53 13.022 7.031 4.046 1.00 0.26 C ATOM 846 O LEU A 53 13.828 7.862 3.681 1.00 0.26 O ATOM 847 CB LEU A 53 13.404 4.790 3.040 1.00 0.28 C ATOM 848 CG LEU A 53 14.588 5.198 2.157 1.00 0.29 C ATOM 849 CD1 LEU A 53 15.855 4.433 2.559 1.00 0.44 C ATOM 850 CD2 LEU A 53 14.255 4.897 0.695 1.00 0.40 C ATOM 0 H LEU A 53 11.759 4.387 4.890 1.00 0.28 H new ATOM 0 HA LEU A 53 14.430 5.553 4.772 1.00 0.28 H new ATOM 0 HB2 LEU A 53 13.452 3.723 3.257 1.00 0.28 H new ATOM 0 HB3 LEU A 53 12.467 4.966 2.512 1.00 0.28 H new ATOM 0 HG LEU A 53 14.770 6.265 2.287 1.00 0.29 H new ATOM 0 HD11 LEU A 53 16.683 4.738 1.919 1.00 0.44 H new ATOM 0 HD12 LEU A 53 16.099 4.654 3.598 1.00 0.44 H new ATOM 0 HD13 LEU A 53 15.685 3.362 2.446 1.00 0.44 H new ATOM 0 HD21 LEU A 53 15.095 5.186 0.064 1.00 0.40 H new ATOM 0 HD22 LEU A 53 14.063 3.830 0.578 1.00 0.40 H new ATOM 0 HD23 LEU A 53 13.369 5.460 0.400 1.00 0.40 H new ATOM 862 N LYS A 54 11.783 7.357 4.260 1.00 0.26 N ATOM 863 CA LYS A 54 11.345 8.751 4.038 1.00 0.27 C ATOM 864 C LYS A 54 11.812 9.535 5.246 1.00 0.29 C ATOM 865 O LYS A 54 12.406 10.592 5.149 1.00 0.28 O ATOM 866 CB LYS A 54 9.816 8.769 3.964 1.00 0.30 C ATOM 867 CG LYS A 54 9.314 9.985 3.175 1.00 0.55 C ATOM 868 CD LYS A 54 9.324 11.228 4.062 1.00 0.27 C ATOM 869 CE LYS A 54 8.702 12.395 3.290 1.00 0.36 C ATOM 870 NZ LYS A 54 7.468 12.849 3.990 1.00 1.00 N ATOM 0 H LYS A 54 11.056 6.716 4.579 1.00 0.26 H new ATOM 0 HA LYS A 54 11.748 9.174 3.118 1.00 0.27 H new ATOM 0 HB2 LYS A 54 9.461 7.853 3.491 1.00 0.30 H new ATOM 0 HB3 LYS A 54 9.401 8.789 4.972 1.00 0.30 H new ATOM 0 HG2 LYS A 54 9.946 10.147 2.302 1.00 0.55 H new ATOM 0 HG3 LYS A 54 8.305 9.799 2.808 1.00 0.55 H new ATOM 0 HD2 LYS A 54 8.764 11.041 4.978 1.00 0.27 H new ATOM 0 HD3 LYS A 54 10.345 11.472 4.356 1.00 0.27 H new ATOM 0 HE2 LYS A 54 9.414 13.217 3.215 1.00 0.36 H new ATOM 0 HE3 LYS A 54 8.463 12.086 2.272 1.00 0.36 H new ATOM 0 HZ1 LYS A 54 7.044 13.642 3.467 1.00 1.00 H new ATOM 0 HZ2 LYS A 54 6.788 12.064 4.039 1.00 1.00 H new ATOM 0 HZ3 LYS A 54 7.709 13.159 4.953 1.00 1.00 H new ATOM 884 N ASP A 55 11.570 8.975 6.392 1.00 0.34 N ATOM 885 CA ASP A 55 12.005 9.606 7.652 1.00 0.38 C ATOM 886 C ASP A 55 13.522 9.779 7.595 1.00 0.40 C ATOM 887 O ASP A 55 14.129 10.374 8.464 1.00 0.47 O ATOM 888 CB ASP A 55 11.622 8.677 8.803 1.00 0.43 C ATOM 889 CG ASP A 55 12.536 8.928 10.002 1.00 0.85 C ATOM 890 OD1 ASP A 55 12.725 10.083 10.345 1.00 1.48 O ATOM 891 OD2 ASP A 55 13.025 7.961 10.562 1.00 1.58 O ATOM 0 H ASP A 55 11.079 8.088 6.506 1.00 0.34 H new ATOM 0 HA ASP A 55 11.534 10.578 7.798 1.00 0.38 H new ATOM 0 HB2 ASP A 55 10.583 8.844 9.086 1.00 0.43 H new ATOM 0 HB3 ASP A 55 11.703 7.638 8.485 1.00 0.43 H new ATOM 896 N ARG A 56 14.137 9.258 6.564 1.00 0.36 N ATOM 897 CA ARG A 56 15.612 9.380 6.428 1.00 0.40 C ATOM 898 C ARG A 56 15.969 10.788 5.984 1.00 0.40 C ATOM 899 O ARG A 56 16.859 11.420 6.518 1.00 0.43 O ATOM 900 CB ARG A 56 16.082 8.421 5.348 1.00 0.44 C ATOM 901 CG ARG A 56 17.500 7.947 5.654 1.00 0.81 C ATOM 902 CD ARG A 56 17.441 6.725 6.573 1.00 0.67 C ATOM 903 NE ARG A 56 18.782 6.513 7.193 1.00 1.00 N ATOM 904 CZ ARG A 56 19.077 7.045 8.353 1.00 1.24 C ATOM 905 NH1 ARG A 56 18.196 7.755 9.007 1.00 1.52 N ATOM 906 NH2 ARG A 56 20.265 6.864 8.860 1.00 1.69 N ATOM 0 H ARG A 56 13.675 8.752 5.809 1.00 0.36 H new ATOM 0 HA ARG A 56 16.082 9.156 7.385 1.00 0.40 H new ATOM 0 HB2 ARG A 56 15.408 7.566 5.290 1.00 0.44 H new ATOM 0 HB3 ARG A 56 16.056 8.913 4.376 1.00 0.44 H new ATOM 0 HG2 ARG A 56 18.018 7.695 4.729 1.00 0.81 H new ATOM 0 HG3 ARG A 56 18.068 8.747 6.130 1.00 0.81 H new ATOM 0 HD2 ARG A 56 16.688 6.873 7.347 1.00 0.67 H new ATOM 0 HD3 ARG A 56 17.145 5.842 6.006 1.00 0.67 H new ATOM 0 HE ARG A 56 19.478 5.947 6.707 1.00 1.00 H new ATOM 0 HH11 ARG A 56 17.266 7.900 8.615 1.00 1.52 H new ATOM 0 HH12 ARG A 56 18.439 8.164 9.909 1.00 1.52 H new ATOM 0 HH21 ARG A 56 20.957 6.311 8.354 1.00 1.69 H new ATOM 0 HH22 ARG A 56 20.502 7.275 9.763 1.00 1.69 H new ATOM 920 N LEU A 57 15.288 11.277 4.991 1.00 0.38 N ATOM 921 CA LEU A 57 15.596 12.635 4.490 1.00 0.42 C ATOM 922 C LEU A 57 14.350 13.255 3.877 1.00 0.39 C ATOM 923 O LEU A 57 14.198 14.459 3.877 1.00 0.41 O ATOM 924 CB LEU A 57 16.696 12.549 3.427 1.00 0.51 C ATOM 925 CG LEU A 57 17.503 13.850 3.412 1.00 1.11 C ATOM 926 CD1 LEU A 57 18.638 13.765 4.434 1.00 1.63 C ATOM 927 CD2 LEU A 57 18.096 14.064 2.016 1.00 1.66 C ATOM 0 H LEU A 57 14.532 10.794 4.506 1.00 0.38 H new ATOM 0 HA LEU A 57 15.935 13.255 5.320 1.00 0.42 H new ATOM 0 HB2 LEU A 57 17.353 11.705 3.637 1.00 0.51 H new ATOM 0 HB3 LEU A 57 16.254 12.373 2.446 1.00 0.51 H new ATOM 0 HG LEU A 57 16.848 14.683 3.666 1.00 1.11 H new ATOM 0 HD11 LEU A 57 19.210 14.693 4.420 1.00 1.63 H new ATOM 0 HD12 LEU A 57 18.221 13.611 5.429 1.00 1.63 H new ATOM 0 HD13 LEU A 57 19.293 12.931 4.182 1.00 1.63 H new ATOM 0 HD21 LEU A 57 18.671 14.990 2.003 1.00 1.66 H new ATOM 0 HD22 LEU A 57 18.749 13.228 1.766 1.00 1.66 H new ATOM 0 HD23 LEU A 57 17.291 14.127 1.284 1.00 1.66 H new ATOM 939 N GLY A 58 13.438 12.455 3.379 1.00 0.39 N ATOM 940 CA GLY A 58 12.195 13.019 2.783 1.00 0.38 C ATOM 941 C GLY A 58 12.536 13.865 1.557 1.00 0.33 C ATOM 942 O GLY A 58 11.927 13.744 0.513 1.00 0.31 O ATOM 0 H GLY A 58 13.504 11.437 3.361 1.00 0.39 H new ATOM 0 HA2 GLY A 58 11.519 12.212 2.501 1.00 0.38 H new ATOM 0 HA3 GLY A 58 11.673 13.628 3.521 1.00 0.38 H new ATOM 946 N ASP A 59 13.495 14.730 1.686 1.00 0.37 N ATOM 947 CA ASP A 59 13.873 15.603 0.545 1.00 0.38 C ATOM 948 C ASP A 59 14.650 14.797 -0.484 1.00 0.30 C ATOM 949 O ASP A 59 14.408 14.895 -1.664 1.00 0.32 O ATOM 950 CB ASP A 59 14.735 16.760 1.047 1.00 0.47 C ATOM 951 CG ASP A 59 14.211 18.076 0.470 1.00 0.57 C ATOM 952 OD1 ASP A 59 14.009 18.135 -0.732 1.00 1.06 O ATOM 953 OD2 ASP A 59 14.018 19.003 1.240 1.00 1.38 O ATOM 0 H ASP A 59 14.038 14.872 2.538 1.00 0.37 H new ATOM 0 HA ASP A 59 12.969 16.000 0.083 1.00 0.38 H new ATOM 0 HB2 ASP A 59 14.716 16.795 2.136 1.00 0.47 H new ATOM 0 HB3 ASP A 59 15.773 16.609 0.751 1.00 0.47 H new ATOM 958 N GLY A 60 15.574 13.994 -0.047 1.00 0.26 N ATOM 959 CA GLY A 60 16.362 13.182 -1.006 1.00 0.24 C ATOM 960 C GLY A 60 15.607 11.895 -1.303 1.00 0.23 C ATOM 961 O GLY A 60 16.193 10.883 -1.625 1.00 0.24 O ATOM 0 H GLY A 60 15.818 13.865 0.935 1.00 0.26 H new ATOM 0 HA2 GLY A 60 16.528 13.742 -1.926 1.00 0.24 H new ATOM 0 HA3 GLY A 60 17.344 12.955 -0.590 1.00 0.24 H new ATOM 965 N VAL A 61 14.309 11.916 -1.187 1.00 0.22 N ATOM 966 CA VAL A 61 13.506 10.694 -1.452 1.00 0.22 C ATOM 967 C VAL A 61 12.104 11.149 -1.856 1.00 0.22 C ATOM 968 O VAL A 61 11.509 11.982 -1.201 1.00 0.28 O ATOM 969 CB VAL A 61 13.411 9.853 -0.175 1.00 0.25 C ATOM 970 CG1 VAL A 61 12.341 8.775 -0.352 1.00 0.34 C ATOM 971 CG2 VAL A 61 14.757 9.186 0.113 1.00 0.38 C ATOM 0 H VAL A 61 13.766 12.736 -0.917 1.00 0.22 H new ATOM 0 HA VAL A 61 13.967 10.094 -2.237 1.00 0.22 H new ATOM 0 HB VAL A 61 13.145 10.502 0.659 1.00 0.25 H new ATOM 0 HG11 VAL A 61 12.274 8.177 0.557 1.00 0.34 H new ATOM 0 HG12 VAL A 61 11.378 9.247 -0.548 1.00 0.34 H new ATOM 0 HG13 VAL A 61 12.608 8.132 -1.191 1.00 0.34 H new ATOM 0 HG21 VAL A 61 14.681 8.590 1.022 1.00 0.38 H new ATOM 0 HG22 VAL A 61 15.029 8.540 -0.722 1.00 0.38 H new ATOM 0 HG23 VAL A 61 15.522 9.952 0.244 1.00 0.38 H new ATOM 981 N GLN A 62 11.594 10.653 -2.949 1.00 0.20 N ATOM 982 CA GLN A 62 10.255 11.109 -3.420 1.00 0.21 C ATOM 983 C GLN A 62 9.394 9.938 -3.883 1.00 0.22 C ATOM 984 O GLN A 62 9.877 8.889 -4.252 1.00 0.21 O ATOM 985 CB GLN A 62 10.458 12.053 -4.602 1.00 0.23 C ATOM 986 CG GLN A 62 10.119 13.486 -4.195 1.00 0.34 C ATOM 987 CD GLN A 62 8.600 13.651 -4.110 1.00 0.50 C ATOM 988 OE1 GLN A 62 8.043 13.712 -3.031 1.00 1.14 O ATOM 989 NE2 GLN A 62 7.900 13.723 -5.210 1.00 1.31 N ATOM 0 H GLN A 62 12.046 9.952 -3.536 1.00 0.20 H new ATOM 0 HA GLN A 62 9.748 11.604 -2.592 1.00 0.21 H new ATOM 0 HB2 GLN A 62 11.491 11.999 -4.947 1.00 0.23 H new ATOM 0 HB3 GLN A 62 9.827 11.745 -5.436 1.00 0.23 H new ATOM 0 HG2 GLN A 62 10.574 13.719 -3.232 1.00 0.34 H new ATOM 0 HG3 GLN A 62 10.531 14.188 -4.920 1.00 0.34 H new ATOM 0 HE21 GLN A 62 8.367 13.672 -6.116 1.00 1.31 H new ATOM 0 HE22 GLN A 62 6.887 13.830 -5.164 1.00 1.31 H new ATOM 998 N LEU A 63 8.108 10.141 -3.867 1.00 0.25 N ATOM 999 CA LEU A 63 7.150 9.089 -4.301 1.00 0.26 C ATOM 1000 C LEU A 63 6.834 9.290 -5.783 1.00 0.29 C ATOM 1001 O LEU A 63 6.205 10.259 -6.161 1.00 0.34 O ATOM 1002 CB LEU A 63 5.869 9.242 -3.474 1.00 0.29 C ATOM 1003 CG LEU A 63 4.872 8.124 -3.803 1.00 0.29 C ATOM 1004 CD1 LEU A 63 4.188 7.657 -2.516 1.00 0.49 C ATOM 1005 CD2 LEU A 63 3.803 8.649 -4.768 1.00 0.48 C ATOM 0 H LEU A 63 7.671 11.012 -3.564 1.00 0.25 H new ATOM 0 HA LEU A 63 7.572 8.095 -4.155 1.00 0.26 H new ATOM 0 HB2 LEU A 63 6.112 9.218 -2.412 1.00 0.29 H new ATOM 0 HB3 LEU A 63 5.414 10.212 -3.675 1.00 0.29 H new ATOM 0 HG LEU A 63 5.407 7.294 -4.264 1.00 0.29 H new ATOM 0 HD11 LEU A 63 3.479 6.862 -2.748 1.00 0.49 H new ATOM 0 HD12 LEU A 63 4.939 7.282 -1.821 1.00 0.49 H new ATOM 0 HD13 LEU A 63 3.658 8.494 -2.061 1.00 0.49 H new ATOM 0 HD21 LEU A 63 3.097 7.851 -4.998 1.00 0.48 H new ATOM 0 HD22 LEU A 63 3.272 9.481 -4.305 1.00 0.48 H new ATOM 0 HD23 LEU A 63 4.279 8.989 -5.688 1.00 0.48 H new ATOM 1017 N VAL A 64 7.260 8.388 -6.628 1.00 0.29 N ATOM 1018 CA VAL A 64 6.974 8.544 -8.085 1.00 0.33 C ATOM 1019 C VAL A 64 5.739 7.740 -8.459 1.00 0.32 C ATOM 1020 O VAL A 64 5.038 8.077 -9.393 1.00 0.37 O ATOM 1021 CB VAL A 64 8.146 8.049 -8.928 1.00 0.36 C ATOM 1022 CG1 VAL A 64 8.840 9.246 -9.579 1.00 1.12 C ATOM 1023 CG2 VAL A 64 9.127 7.289 -8.042 1.00 1.35 C ATOM 0 H VAL A 64 7.791 7.555 -6.374 1.00 0.29 H new ATOM 0 HA VAL A 64 6.811 9.604 -8.281 1.00 0.33 H new ATOM 0 HB VAL A 64 7.783 7.379 -9.707 1.00 0.36 H new ATOM 0 HG11 VAL A 64 9.678 8.897 -10.182 1.00 1.12 H new ATOM 0 HG12 VAL A 64 8.131 9.776 -10.215 1.00 1.12 H new ATOM 0 HG13 VAL A 64 9.206 9.920 -8.804 1.00 1.12 H new ATOM 0 HG21 VAL A 64 9.964 6.936 -8.645 1.00 1.35 H new ATOM 0 HG22 VAL A 64 9.498 7.950 -7.259 1.00 1.35 H new ATOM 0 HG23 VAL A 64 8.622 6.437 -7.588 1.00 1.35 H new ATOM 1033 N ASN A 65 5.445 6.678 -7.755 1.00 0.28 N ATOM 1034 CA ASN A 65 4.238 5.893 -8.123 1.00 0.29 C ATOM 1035 C ASN A 65 3.944 4.861 -7.036 1.00 0.26 C ATOM 1036 O ASN A 65 4.819 4.465 -6.295 1.00 0.24 O ATOM 1037 CB ASN A 65 4.506 5.180 -9.441 1.00 0.30 C ATOM 1038 CG ASN A 65 3.576 5.732 -10.523 1.00 0.38 C ATOM 1039 OD1 ASN A 65 2.370 5.685 -10.384 1.00 1.20 O ATOM 1040 ND2 ASN A 65 4.089 6.255 -11.602 1.00 0.98 N ATOM 0 H ASN A 65 5.978 6.329 -6.958 1.00 0.28 H new ATOM 0 HA ASN A 65 3.380 6.557 -8.224 1.00 0.29 H new ATOM 0 HB2 ASN A 65 5.546 5.319 -9.736 1.00 0.30 H new ATOM 0 HB3 ASN A 65 4.348 4.108 -9.324 1.00 0.30 H new ATOM 0 HD21 ASN A 65 3.478 6.625 -12.330 1.00 0.98 H new ATOM 0 HD22 ASN A 65 5.102 6.294 -11.718 1.00 0.98 H new ATOM 1047 N VAL A 66 2.716 4.427 -6.938 1.00 0.27 N ATOM 1048 CA VAL A 66 2.354 3.423 -5.900 1.00 0.25 C ATOM 1049 C VAL A 66 1.061 2.724 -6.303 1.00 0.26 C ATOM 1050 O VAL A 66 0.082 3.351 -6.658 1.00 0.29 O ATOM 1051 CB VAL A 66 2.126 4.113 -4.549 1.00 0.28 C ATOM 1052 CG1 VAL A 66 1.555 3.102 -3.552 1.00 0.85 C ATOM 1053 CG2 VAL A 66 3.446 4.658 -4.006 1.00 0.63 C ATOM 0 H VAL A 66 1.946 4.727 -7.536 1.00 0.27 H new ATOM 0 HA VAL A 66 3.168 2.704 -5.813 1.00 0.25 H new ATOM 0 HB VAL A 66 1.426 4.937 -4.687 1.00 0.28 H new ATOM 0 HG11 VAL A 66 1.392 3.591 -2.591 1.00 0.85 H new ATOM 0 HG12 VAL A 66 0.608 2.716 -3.928 1.00 0.85 H new ATOM 0 HG13 VAL A 66 2.258 2.279 -3.426 1.00 0.85 H new ATOM 0 HG21 VAL A 66 3.271 5.145 -3.047 1.00 0.63 H new ATOM 0 HG22 VAL A 66 4.151 3.838 -3.873 1.00 0.63 H new ATOM 0 HG23 VAL A 66 3.859 5.380 -4.710 1.00 0.63 H new ATOM 1063 N GLN A 67 1.063 1.430 -6.243 1.00 0.25 N ATOM 1064 CA GLN A 67 -0.158 0.672 -6.611 1.00 0.27 C ATOM 1065 C GLN A 67 -0.298 -0.554 -5.719 1.00 0.25 C ATOM 1066 O GLN A 67 0.618 -0.963 -5.033 1.00 0.25 O ATOM 1067 CB GLN A 67 -0.090 0.252 -8.083 1.00 0.28 C ATOM 1068 CG GLN A 67 -1.239 -0.709 -8.401 1.00 0.39 C ATOM 1069 CD GLN A 67 -1.396 -0.829 -9.917 1.00 0.60 C ATOM 1070 OE1 GLN A 67 -1.893 0.074 -10.561 1.00 1.07 O ATOM 1071 NE2 GLN A 67 -0.991 -1.914 -10.520 1.00 1.41 N ATOM 0 H GLN A 67 1.859 0.861 -5.954 1.00 0.25 H new ATOM 0 HA GLN A 67 -1.030 1.311 -6.469 1.00 0.27 H new ATOM 0 HB2 GLN A 67 -0.151 1.131 -8.725 1.00 0.28 H new ATOM 0 HB3 GLN A 67 0.866 -0.229 -8.290 1.00 0.28 H new ATOM 0 HG2 GLN A 67 -1.039 -1.688 -7.966 1.00 0.39 H new ATOM 0 HG3 GLN A 67 -2.165 -0.346 -7.956 1.00 0.39 H new ATOM 0 HE21 GLN A 67 -0.574 -2.672 -9.980 1.00 1.41 H new ATOM 0 HE22 GLN A 67 -1.092 -2.003 -11.531 1.00 1.41 H new ATOM 1080 N THR A 68 -1.467 -1.106 -5.699 1.00 0.26 N ATOM 1081 CA THR A 68 -1.736 -2.280 -4.837 1.00 0.27 C ATOM 1082 C THR A 68 -2.603 -3.258 -5.609 1.00 0.30 C ATOM 1083 O THR A 68 -3.404 -2.869 -6.435 1.00 0.43 O ATOM 1084 CB THR A 68 -2.497 -1.801 -3.598 1.00 0.35 C ATOM 1085 OG1 THR A 68 -2.826 -0.428 -3.753 1.00 0.52 O ATOM 1086 CG2 THR A 68 -1.632 -1.979 -2.354 1.00 0.46 C ATOM 0 H THR A 68 -2.263 -0.790 -6.252 1.00 0.26 H new ATOM 0 HA THR A 68 -0.805 -2.764 -4.542 1.00 0.27 H new ATOM 0 HB THR A 68 -3.408 -2.389 -3.485 1.00 0.35 H new ATOM 0 HG1 THR A 68 -2.556 0.066 -2.951 1.00 0.52 H new ATOM 0 HG21 THR A 68 -2.181 -1.636 -1.477 1.00 0.46 H new ATOM 0 HG22 THR A 68 -1.379 -3.032 -2.234 1.00 0.46 H new ATOM 0 HG23 THR A 68 -0.717 -1.396 -2.460 1.00 0.46 H new ATOM 1094 N GLY A 69 -2.479 -4.524 -5.347 1.00 0.29 N ATOM 1095 CA GLY A 69 -3.328 -5.523 -6.056 1.00 0.38 C ATOM 1096 C GLY A 69 -3.192 -6.856 -5.315 1.00 0.31 C ATOM 1097 O GLY A 69 -2.149 -7.159 -4.769 1.00 0.40 O ATOM 0 H GLY A 69 -1.824 -4.915 -4.670 1.00 0.29 H new ATOM 0 HA2 GLY A 69 -4.368 -5.198 -6.072 1.00 0.38 H new ATOM 0 HA3 GLY A 69 -3.011 -5.628 -7.093 1.00 0.38 H new ATOM 1101 N SER A 70 -4.218 -7.667 -5.304 1.00 0.42 N ATOM 1102 CA SER A 70 -4.115 -8.984 -4.618 1.00 0.34 C ATOM 1103 C SER A 70 -3.753 -10.048 -5.641 1.00 0.32 C ATOM 1104 O SER A 70 -3.907 -9.859 -6.832 1.00 0.33 O ATOM 1105 CB SER A 70 -5.441 -9.345 -3.949 1.00 0.32 C ATOM 1106 OG SER A 70 -6.353 -9.814 -4.933 1.00 0.34 O ATOM 0 H SER A 70 -5.119 -7.473 -5.740 1.00 0.42 H new ATOM 0 HA SER A 70 -3.344 -8.927 -3.850 1.00 0.34 H new ATOM 0 HB2 SER A 70 -5.282 -10.111 -3.190 1.00 0.32 H new ATOM 0 HB3 SER A 70 -5.854 -8.474 -3.440 1.00 0.32 H new ATOM 0 HG SER A 70 -7.175 -10.122 -4.497 1.00 0.34 H new ATOM 1112 N GLU A 71 -3.284 -11.174 -5.194 1.00 0.33 N ATOM 1113 CA GLU A 71 -2.931 -12.246 -6.156 1.00 0.35 C ATOM 1114 C GLU A 71 -2.779 -13.570 -5.430 1.00 0.35 C ATOM 1115 O GLU A 71 -2.937 -13.659 -4.229 1.00 0.33 O ATOM 1116 CB GLU A 71 -1.649 -11.904 -6.911 1.00 0.45 C ATOM 1117 CG GLU A 71 -0.528 -11.502 -5.954 1.00 0.54 C ATOM 1118 CD GLU A 71 0.331 -12.725 -5.631 1.00 0.59 C ATOM 1119 OE1 GLU A 71 -0.174 -13.622 -4.981 1.00 1.29 O ATOM 1120 OE2 GLU A 71 1.482 -12.742 -6.041 1.00 1.12 O ATOM 0 H GLU A 71 -3.131 -11.398 -4.211 1.00 0.33 H new ATOM 0 HA GLU A 71 -3.738 -12.332 -6.883 1.00 0.35 H new ATOM 0 HB2 GLU A 71 -1.333 -12.763 -7.503 1.00 0.45 H new ATOM 0 HB3 GLU A 71 -1.843 -11.090 -7.609 1.00 0.45 H new ATOM 0 HG2 GLU A 71 0.086 -10.722 -6.404 1.00 0.54 H new ATOM 0 HG3 GLU A 71 -0.949 -11.088 -5.038 1.00 0.54 H new ATOM 1127 N VAL A 72 -2.490 -14.605 -6.156 1.00 0.43 N ATOM 1128 CA VAL A 72 -2.346 -15.930 -5.515 1.00 0.51 C ATOM 1129 C VAL A 72 -0.902 -16.133 -5.069 1.00 0.58 C ATOM 1130 O VAL A 72 0.033 -15.863 -5.797 1.00 0.93 O ATOM 1131 CB VAL A 72 -2.734 -17.033 -6.503 1.00 0.64 C ATOM 1132 CG1 VAL A 72 -3.831 -17.904 -5.889 1.00 0.49 C ATOM 1133 CG2 VAL A 72 -3.250 -16.408 -7.803 1.00 1.02 C ATOM 0 H VAL A 72 -2.347 -14.590 -7.166 1.00 0.43 H new ATOM 0 HA VAL A 72 -3.004 -15.977 -4.647 1.00 0.51 H new ATOM 0 HB VAL A 72 -1.858 -17.645 -6.720 1.00 0.64 H new ATOM 0 HG11 VAL A 72 -4.108 -18.690 -6.592 1.00 0.49 H new ATOM 0 HG12 VAL A 72 -3.464 -18.355 -4.967 1.00 0.49 H new ATOM 0 HG13 VAL A 72 -4.704 -17.289 -5.670 1.00 0.49 H new ATOM 0 HG21 VAL A 72 -3.525 -17.198 -8.502 1.00 1.02 H new ATOM 0 HG22 VAL A 72 -4.124 -15.793 -7.589 1.00 1.02 H new ATOM 0 HG23 VAL A 72 -2.469 -15.788 -8.244 1.00 1.02 H new ATOM 1143 N ARG A 73 -0.721 -16.629 -3.879 1.00 0.44 N ATOM 1144 CA ARG A 73 0.651 -16.879 -3.375 1.00 0.48 C ATOM 1145 C ARG A 73 0.599 -18.036 -2.376 1.00 0.54 C ATOM 1146 O ARG A 73 0.184 -17.870 -1.248 1.00 0.55 O ATOM 1147 CB ARG A 73 1.179 -15.617 -2.693 1.00 0.43 C ATOM 1148 CG ARG A 73 2.688 -15.488 -2.911 1.00 0.53 C ATOM 1149 CD ARG A 73 3.143 -14.128 -2.389 1.00 0.62 C ATOM 1150 NE ARG A 73 4.589 -13.934 -2.689 1.00 0.89 N ATOM 1151 CZ ARG A 73 4.979 -13.723 -3.918 1.00 1.42 C ATOM 1152 NH1 ARG A 73 4.104 -13.688 -4.886 1.00 2.23 N ATOM 1153 NH2 ARG A 73 6.246 -13.550 -4.177 1.00 1.70 N ATOM 0 H ARG A 73 -1.471 -16.873 -3.232 1.00 0.44 H new ATOM 0 HA ARG A 73 1.317 -17.137 -4.199 1.00 0.48 H new ATOM 0 HB2 ARG A 73 0.671 -14.740 -3.093 1.00 0.43 H new ATOM 0 HB3 ARG A 73 0.961 -15.654 -1.626 1.00 0.43 H new ATOM 0 HG2 ARG A 73 3.215 -16.288 -2.391 1.00 0.53 H new ATOM 0 HG3 ARG A 73 2.927 -15.585 -3.970 1.00 0.53 H new ATOM 0 HD2 ARG A 73 2.556 -13.335 -2.852 1.00 0.62 H new ATOM 0 HD3 ARG A 73 2.973 -14.065 -1.314 1.00 0.62 H new ATOM 0 HE ARG A 73 5.275 -13.966 -1.935 1.00 0.89 H new ATOM 0 HH11 ARG A 73 3.114 -13.825 -4.684 1.00 2.23 H new ATOM 0 HH12 ARG A 73 4.410 -13.523 -5.845 1.00 2.23 H new ATOM 0 HH21 ARG A 73 6.930 -13.580 -3.421 1.00 1.70 H new ATOM 0 HH22 ARG A 73 6.553 -13.385 -5.136 1.00 1.70 H new ATOM 1167 N ASP A 74 1.007 -19.204 -2.812 1.00 0.60 N ATOM 1168 CA ASP A 74 0.998 -20.425 -1.947 1.00 0.68 C ATOM 1169 C ASP A 74 -0.357 -21.129 -2.061 1.00 0.68 C ATOM 1170 O ASP A 74 -0.847 -21.706 -1.110 1.00 0.69 O ATOM 1171 CB ASP A 74 1.268 -20.062 -0.486 1.00 0.68 C ATOM 1172 CG ASP A 74 1.922 -21.252 0.221 1.00 0.79 C ATOM 1173 OD1 ASP A 74 3.020 -21.615 -0.165 1.00 1.27 O ATOM 1174 OD2 ASP A 74 1.311 -21.781 1.136 1.00 1.38 O ATOM 0 H ASP A 74 1.355 -19.365 -3.757 1.00 0.60 H new ATOM 0 HA ASP A 74 1.789 -21.093 -2.288 1.00 0.68 H new ATOM 0 HB2 ASP A 74 1.919 -19.190 -0.431 1.00 0.68 H new ATOM 0 HB3 ASP A 74 0.336 -19.796 0.012 1.00 0.68 H new ATOM 1179 N ARG A 75 -0.966 -21.073 -3.221 1.00 0.67 N ATOM 1180 CA ARG A 75 -2.297 -21.726 -3.428 1.00 0.69 C ATOM 1181 C ARG A 75 -3.351 -21.005 -2.589 1.00 0.59 C ATOM 1182 O ARG A 75 -4.297 -21.588 -2.097 1.00 0.64 O ATOM 1183 CB ARG A 75 -2.239 -23.220 -3.062 1.00 0.79 C ATOM 1184 CG ARG A 75 -2.324 -24.052 -4.341 1.00 0.87 C ATOM 1185 CD ARG A 75 -1.163 -23.681 -5.262 1.00 0.85 C ATOM 1186 NE ARG A 75 -0.517 -24.921 -5.777 1.00 1.25 N ATOM 1187 CZ ARG A 75 0.307 -25.591 -5.019 1.00 1.89 C ATOM 1188 NH1 ARG A 75 0.560 -25.182 -3.806 1.00 2.62 N ATOM 1189 NH2 ARG A 75 0.878 -26.673 -5.473 1.00 2.29 N ATOM 0 H ARG A 75 -0.593 -20.597 -4.042 1.00 0.67 H new ATOM 0 HA ARG A 75 -2.567 -21.655 -4.482 1.00 0.69 H new ATOM 0 HB2 ARG A 75 -1.313 -23.441 -2.530 1.00 0.79 H new ATOM 0 HB3 ARG A 75 -3.060 -23.475 -2.392 1.00 0.79 H new ATOM 0 HG2 ARG A 75 -2.287 -25.115 -4.101 1.00 0.87 H new ATOM 0 HG3 ARG A 75 -3.274 -23.871 -4.844 1.00 0.87 H new ATOM 0 HD2 ARG A 75 -1.524 -23.075 -6.093 1.00 0.85 H new ATOM 0 HD3 ARG A 75 -0.435 -23.077 -4.720 1.00 0.85 H new ATOM 0 HE ARG A 75 -0.719 -25.246 -6.722 1.00 1.25 H new ATOM 0 HH11 ARG A 75 0.113 -24.337 -3.449 1.00 2.62 H new ATOM 0 HH12 ARG A 75 1.204 -25.707 -3.215 1.00 2.62 H new ATOM 0 HH21 ARG A 75 0.680 -26.995 -6.420 1.00 2.29 H new ATOM 0 HH22 ARG A 75 1.522 -27.197 -4.880 1.00 2.29 H new ATOM 1203 N ARG A 76 -3.201 -19.723 -2.441 1.00 0.46 N ATOM 1204 CA ARG A 76 -4.197 -18.953 -1.657 1.00 0.38 C ATOM 1205 C ARG A 76 -4.152 -17.487 -2.075 1.00 0.34 C ATOM 1206 O ARG A 76 -3.146 -16.999 -2.550 1.00 0.34 O ATOM 1207 CB ARG A 76 -3.882 -19.059 -0.167 1.00 0.37 C ATOM 1208 CG ARG A 76 -5.053 -19.736 0.545 1.00 0.63 C ATOM 1209 CD ARG A 76 -4.804 -19.744 2.052 1.00 1.28 C ATOM 1210 NE ARG A 76 -5.532 -20.887 2.671 1.00 1.50 N ATOM 1211 CZ ARG A 76 -5.843 -20.855 3.939 1.00 2.36 C ATOM 1212 NH1 ARG A 76 -5.512 -19.823 4.668 1.00 3.15 N ATOM 1213 NH2 ARG A 76 -6.482 -21.855 4.480 1.00 2.82 N ATOM 0 H ARG A 76 -2.433 -19.176 -2.829 1.00 0.46 H new ATOM 0 HA ARG A 76 -5.190 -19.361 -1.847 1.00 0.38 H new ATOM 0 HB2 ARG A 76 -2.968 -19.633 -0.016 1.00 0.37 H new ATOM 0 HB3 ARG A 76 -3.709 -18.068 0.252 1.00 0.37 H new ATOM 0 HG2 ARG A 76 -5.980 -19.208 0.323 1.00 0.63 H new ATOM 0 HG3 ARG A 76 -5.172 -20.756 0.181 1.00 0.63 H new ATOM 0 HD2 ARG A 76 -3.736 -19.827 2.254 1.00 1.28 H new ATOM 0 HD3 ARG A 76 -5.140 -18.805 2.492 1.00 1.28 H new ATOM 0 HE ARG A 76 -5.788 -21.695 2.104 1.00 1.50 H new ATOM 0 HH11 ARG A 76 -5.010 -19.041 4.247 1.00 3.15 H new ATOM 0 HH12 ARG A 76 -5.755 -19.799 5.658 1.00 3.15 H new ATOM 0 HH21 ARG A 76 -6.739 -22.663 3.913 1.00 2.82 H new ATOM 0 HH22 ARG A 76 -6.725 -21.829 5.470 1.00 2.82 H new ATOM 1227 N ARG A 77 -5.237 -16.780 -1.919 1.00 0.32 N ATOM 1228 CA ARG A 77 -5.233 -15.352 -2.333 1.00 0.31 C ATOM 1229 C ARG A 77 -4.678 -14.512 -1.208 1.00 0.27 C ATOM 1230 O ARG A 77 -4.949 -14.724 -0.043 1.00 0.29 O ATOM 1231 CB ARG A 77 -6.643 -14.871 -2.670 1.00 0.34 C ATOM 1232 CG ARG A 77 -6.582 -13.407 -3.126 1.00 0.58 C ATOM 1233 CD ARG A 77 -7.248 -13.265 -4.491 1.00 0.47 C ATOM 1234 NE ARG A 77 -8.585 -13.925 -4.468 1.00 1.21 N ATOM 1235 CZ ARG A 77 -9.626 -13.287 -4.003 1.00 1.57 C ATOM 1236 NH1 ARG A 77 -9.501 -12.067 -3.555 1.00 1.85 N ATOM 1237 NH2 ARG A 77 -10.793 -13.870 -3.987 1.00 2.44 N ATOM 0 H ARG A 77 -6.114 -17.124 -1.528 1.00 0.32 H new ATOM 0 HA ARG A 77 -4.613 -15.253 -3.224 1.00 0.31 H new ATOM 0 HB2 ARG A 77 -7.073 -15.491 -3.456 1.00 0.34 H new ATOM 0 HB3 ARG A 77 -7.290 -14.966 -1.798 1.00 0.34 H new ATOM 0 HG2 ARG A 77 -7.083 -12.768 -2.398 1.00 0.58 H new ATOM 0 HG3 ARG A 77 -5.545 -13.076 -3.181 1.00 0.58 H new ATOM 0 HD2 ARG A 77 -7.356 -12.211 -4.746 1.00 0.47 H new ATOM 0 HD3 ARG A 77 -6.622 -13.716 -5.261 1.00 0.47 H new ATOM 0 HE ARG A 77 -8.687 -14.878 -4.817 1.00 1.21 H new ATOM 0 HH11 ARG A 77 -8.589 -11.610 -3.568 1.00 1.85 H new ATOM 0 HH12 ARG A 77 -10.315 -11.571 -3.192 1.00 1.85 H new ATOM 0 HH21 ARG A 77 -10.892 -14.823 -4.337 1.00 2.44 H new ATOM 0 HH22 ARG A 77 -11.606 -13.373 -3.624 1.00 2.44 H new ATOM 1251 N ILE A 78 -3.863 -13.577 -1.567 1.00 0.23 N ATOM 1252 CA ILE A 78 -3.219 -12.718 -0.567 1.00 0.20 C ATOM 1253 C ILE A 78 -3.049 -11.323 -1.153 1.00 0.19 C ATOM 1254 O ILE A 78 -3.123 -11.123 -2.348 1.00 0.21 O ATOM 1255 CB ILE A 78 -1.864 -13.319 -0.249 1.00 0.20 C ATOM 1256 CG1 ILE A 78 -1.056 -12.328 0.531 1.00 0.21 C ATOM 1257 CG2 ILE A 78 -1.129 -13.643 -1.544 1.00 0.23 C ATOM 1258 CD1 ILE A 78 0.101 -13.044 1.229 1.00 0.23 C ATOM 0 H ILE A 78 -3.613 -13.370 -2.534 1.00 0.23 H new ATOM 0 HA ILE A 78 -3.819 -12.648 0.340 1.00 0.20 H new ATOM 0 HB ILE A 78 -2.002 -14.231 0.332 1.00 0.20 H new ATOM 0 HG12 ILE A 78 -0.670 -11.555 -0.134 1.00 0.21 H new ATOM 0 HG13 ILE A 78 -1.686 -11.830 1.268 1.00 0.21 H new ATOM 0 HG21 ILE A 78 -0.156 -14.075 -1.312 1.00 0.23 H new ATOM 0 HG22 ILE A 78 -1.713 -14.357 -2.125 1.00 0.23 H new ATOM 0 HG23 ILE A 78 -0.992 -12.730 -2.123 1.00 0.23 H new ATOM 0 HD11 ILE A 78 0.687 -12.321 1.796 1.00 0.23 H new ATOM 0 HD12 ILE A 78 -0.295 -13.801 1.906 1.00 0.23 H new ATOM 0 HD13 ILE A 78 0.736 -13.521 0.483 1.00 0.23 H new ATOM 1270 N SER A 79 -2.879 -10.353 -0.313 1.00 0.20 N ATOM 1271 CA SER A 79 -2.768 -8.963 -0.809 1.00 0.22 C ATOM 1272 C SER A 79 -1.314 -8.656 -1.175 1.00 0.19 C ATOM 1273 O SER A 79 -0.381 -9.207 -0.627 1.00 0.22 O ATOM 1274 CB SER A 79 -3.253 -7.999 0.276 1.00 0.28 C ATOM 1275 OG SER A 79 -2.170 -7.668 1.135 1.00 0.74 O ATOM 0 H SER A 79 -2.812 -10.462 0.699 1.00 0.20 H new ATOM 0 HA SER A 79 -3.385 -8.843 -1.699 1.00 0.22 H new ATOM 0 HB2 SER A 79 -3.658 -7.096 -0.180 1.00 0.28 H new ATOM 0 HB3 SER A 79 -4.059 -8.456 0.850 1.00 0.28 H new ATOM 0 HG SER A 79 -2.213 -6.716 1.363 1.00 0.74 H new ATOM 1281 N TYR A 80 -1.148 -7.792 -2.133 1.00 0.19 N ATOM 1282 CA TYR A 80 0.217 -7.428 -2.615 1.00 0.25 C ATOM 1283 C TYR A 80 0.318 -5.906 -2.724 1.00 0.22 C ATOM 1284 O TYR A 80 -0.621 -5.250 -3.129 1.00 0.21 O ATOM 1285 CB TYR A 80 0.430 -8.074 -3.988 1.00 0.40 C ATOM 1286 CG TYR A 80 1.860 -8.535 -4.157 1.00 0.93 C ATOM 1287 CD1 TYR A 80 2.905 -7.620 -4.042 1.00 1.68 C ATOM 1288 CD2 TYR A 80 2.143 -9.875 -4.450 1.00 1.82 C ATOM 1289 CE1 TYR A 80 4.222 -8.043 -4.207 1.00 2.66 C ATOM 1290 CE2 TYR A 80 3.465 -10.294 -4.626 1.00 2.78 C ATOM 1291 CZ TYR A 80 4.506 -9.376 -4.498 1.00 3.08 C ATOM 1292 OH TYR A 80 5.814 -9.782 -4.673 1.00 4.16 O ATOM 0 H TYR A 80 -1.910 -7.313 -2.612 1.00 0.19 H new ATOM 0 HA TYR A 80 0.980 -7.783 -1.922 1.00 0.25 H new ATOM 0 HB2 TYR A 80 -0.245 -8.922 -4.103 1.00 0.40 H new ATOM 0 HB3 TYR A 80 0.180 -7.359 -4.772 1.00 0.40 H new ATOM 0 HD1 TYR A 80 2.694 -6.583 -3.825 1.00 1.68 H new ATOM 0 HD2 TYR A 80 1.337 -10.588 -4.540 1.00 1.82 H new ATOM 0 HE1 TYR A 80 5.029 -7.332 -4.109 1.00 2.66 H new ATOM 0 HE2 TYR A 80 3.679 -11.326 -4.861 1.00 2.78 H new ATOM 0 HH TYR A 80 5.835 -10.742 -4.869 1.00 4.16 H new ATOM 1302 N ILE A 81 1.449 -5.340 -2.366 1.00 0.25 N ATOM 1303 CA ILE A 81 1.615 -3.856 -2.447 1.00 0.27 C ATOM 1304 C ILE A 81 2.721 -3.477 -3.425 1.00 0.25 C ATOM 1305 O ILE A 81 3.839 -3.945 -3.342 1.00 0.26 O ATOM 1306 CB ILE A 81 2.008 -3.280 -1.081 1.00 0.34 C ATOM 1307 CG1 ILE A 81 2.284 -1.783 -1.240 1.00 0.76 C ATOM 1308 CG2 ILE A 81 3.287 -3.961 -0.566 1.00 0.92 C ATOM 1309 CD1 ILE A 81 2.189 -1.092 0.118 1.00 0.69 C ATOM 0 H ILE A 81 2.265 -5.846 -2.021 1.00 0.25 H new ATOM 0 HA ILE A 81 0.659 -3.452 -2.780 1.00 0.27 H new ATOM 0 HB ILE A 81 1.197 -3.451 -0.373 1.00 0.34 H new ATOM 0 HG12 ILE A 81 3.275 -1.630 -1.667 1.00 0.76 H new ATOM 0 HG13 ILE A 81 1.567 -1.343 -1.933 1.00 0.76 H new ATOM 0 HG21 ILE A 81 3.556 -3.544 0.404 1.00 0.92 H new ATOM 0 HG22 ILE A 81 3.113 -5.032 -0.465 1.00 0.92 H new ATOM 0 HG23 ILE A 81 4.100 -3.790 -1.272 1.00 0.92 H new ATOM 0 HD11 ILE A 81 2.386 -0.027 -0.001 1.00 0.69 H new ATOM 0 HD12 ILE A 81 1.189 -1.232 0.528 1.00 0.69 H new ATOM 0 HD13 ILE A 81 2.924 -1.523 0.798 1.00 0.69 H new ATOM 1321 N LEU A 82 2.412 -2.622 -4.346 1.00 0.25 N ATOM 1322 CA LEU A 82 3.421 -2.161 -5.323 1.00 0.25 C ATOM 1323 C LEU A 82 3.766 -0.712 -4.936 1.00 0.25 C ATOM 1324 O LEU A 82 2.903 0.144 -4.947 1.00 0.29 O ATOM 1325 CB LEU A 82 2.789 -2.234 -6.709 1.00 0.29 C ATOM 1326 CG LEU A 82 2.162 -3.617 -6.908 1.00 0.32 C ATOM 1327 CD1 LEU A 82 1.615 -3.726 -8.334 1.00 0.36 C ATOM 1328 CD2 LEU A 82 3.223 -4.701 -6.686 1.00 0.32 C ATOM 0 H LEU A 82 1.484 -2.215 -4.465 1.00 0.25 H new ATOM 0 HA LEU A 82 4.328 -2.766 -5.327 1.00 0.25 H new ATOM 0 HB2 LEU A 82 2.030 -1.459 -6.816 1.00 0.29 H new ATOM 0 HB3 LEU A 82 3.542 -2.050 -7.475 1.00 0.29 H new ATOM 0 HG LEU A 82 1.351 -3.753 -6.193 1.00 0.32 H new ATOM 0 HD11 LEU A 82 1.168 -4.710 -8.478 1.00 0.36 H new ATOM 0 HD12 LEU A 82 0.859 -2.957 -8.493 1.00 0.36 H new ATOM 0 HD13 LEU A 82 2.428 -3.589 -9.047 1.00 0.36 H new ATOM 0 HD21 LEU A 82 2.774 -5.684 -6.828 1.00 0.32 H new ATOM 0 HD22 LEU A 82 4.036 -4.566 -7.400 1.00 0.32 H new ATOM 0 HD23 LEU A 82 3.615 -4.624 -5.672 1.00 0.32 H new ATOM 1340 N LEU A 83 4.995 -0.434 -4.541 1.00 0.22 N ATOM 1341 CA LEU A 83 5.347 0.956 -4.096 1.00 0.23 C ATOM 1342 C LEU A 83 6.602 1.461 -4.808 1.00 0.21 C ATOM 1343 O LEU A 83 7.633 0.822 -4.812 1.00 0.20 O ATOM 1344 CB LEU A 83 5.603 0.935 -2.587 1.00 0.23 C ATOM 1345 CG LEU A 83 5.819 2.355 -2.060 1.00 0.52 C ATOM 1346 CD1 LEU A 83 4.631 2.767 -1.190 1.00 0.52 C ATOM 1347 CD2 LEU A 83 7.089 2.393 -1.218 1.00 0.98 C ATOM 0 H LEU A 83 5.761 -1.106 -4.509 1.00 0.22 H new ATOM 0 HA LEU A 83 4.521 1.624 -4.341 1.00 0.23 H new ATOM 0 HB2 LEU A 83 4.757 0.476 -2.075 1.00 0.23 H new ATOM 0 HB3 LEU A 83 6.478 0.323 -2.369 1.00 0.23 H new ATOM 0 HG LEU A 83 5.911 3.042 -2.902 1.00 0.52 H new ATOM 0 HD11 LEU A 83 4.788 3.779 -0.816 1.00 0.52 H new ATOM 0 HD12 LEU A 83 3.717 2.737 -1.784 1.00 0.52 H new ATOM 0 HD13 LEU A 83 4.540 2.079 -0.349 1.00 0.52 H new ATOM 0 HD21 LEU A 83 7.246 3.404 -0.841 1.00 0.98 H new ATOM 0 HD22 LEU A 83 6.990 1.704 -0.379 1.00 0.98 H new ATOM 0 HD23 LEU A 83 7.941 2.098 -1.831 1.00 0.98 H new ATOM 1359 N ARG A 84 6.492 2.618 -5.405 1.00 0.22 N ATOM 1360 CA ARG A 84 7.646 3.210 -6.137 1.00 0.21 C ATOM 1361 C ARG A 84 8.299 4.325 -5.318 1.00 0.21 C ATOM 1362 O ARG A 84 7.764 4.782 -4.332 1.00 0.23 O ATOM 1363 CB ARG A 84 7.180 3.736 -7.493 1.00 0.23 C ATOM 1364 CG ARG A 84 8.216 3.333 -8.542 1.00 0.25 C ATOM 1365 CD ARG A 84 7.905 3.996 -9.878 1.00 0.31 C ATOM 1366 NE ARG A 84 8.992 3.692 -10.850 1.00 0.40 N ATOM 1367 CZ ARG A 84 8.842 3.988 -12.112 1.00 0.48 C ATOM 1368 NH1 ARG A 84 7.741 4.558 -12.523 1.00 0.49 N ATOM 1369 NH2 ARG A 84 9.791 3.715 -12.965 1.00 0.58 N ATOM 0 H ARG A 84 5.643 3.183 -5.416 1.00 0.22 H new ATOM 0 HA ARG A 84 8.395 2.435 -6.296 1.00 0.21 H new ATOM 0 HB2 ARG A 84 6.203 3.324 -7.745 1.00 0.23 H new ATOM 0 HB3 ARG A 84 7.071 4.820 -7.463 1.00 0.23 H new ATOM 0 HG2 ARG A 84 9.212 3.623 -8.208 1.00 0.25 H new ATOM 0 HG3 ARG A 84 8.222 2.249 -8.659 1.00 0.25 H new ATOM 0 HD2 ARG A 84 6.950 3.636 -10.261 1.00 0.31 H new ATOM 0 HD3 ARG A 84 7.811 5.074 -9.748 1.00 0.31 H new ATOM 0 HE ARG A 84 9.854 3.252 -10.529 1.00 0.40 H new ATOM 0 HH11 ARG A 84 6.998 4.772 -11.857 1.00 0.49 H new ATOM 0 HH12 ARG A 84 7.624 4.789 -13.510 1.00 0.49 H new ATOM 0 HH21 ARG A 84 10.651 3.270 -12.646 1.00 0.58 H new ATOM 0 HH22 ARG A 84 9.673 3.947 -13.951 1.00 0.58 H new ATOM 1383 N LEU A 85 9.448 4.777 -5.755 1.00 0.20 N ATOM 1384 CA LEU A 85 10.149 5.888 -5.029 1.00 0.21 C ATOM 1385 C LEU A 85 11.189 6.531 -5.933 1.00 0.21 C ATOM 1386 O LEU A 85 11.807 5.871 -6.731 1.00 0.22 O ATOM 1387 CB LEU A 85 10.855 5.353 -3.781 1.00 0.23 C ATOM 1388 CG LEU A 85 10.434 6.152 -2.541 1.00 0.53 C ATOM 1389 CD1 LEU A 85 8.995 5.816 -2.136 1.00 1.39 C ATOM 1390 CD2 LEU A 85 11.372 5.798 -1.387 1.00 0.94 C ATOM 0 H LEU A 85 9.933 4.427 -6.582 1.00 0.20 H new ATOM 0 HA LEU A 85 9.400 6.625 -4.739 1.00 0.21 H new ATOM 0 HB2 LEU A 85 10.612 4.300 -3.642 1.00 0.23 H new ATOM 0 HB3 LEU A 85 11.935 5.416 -3.912 1.00 0.23 H new ATOM 0 HG LEU A 85 10.490 7.216 -2.772 1.00 0.53 H new ATOM 0 HD11 LEU A 85 8.720 6.395 -1.254 1.00 1.39 H new ATOM 0 HD12 LEU A 85 8.320 6.061 -2.956 1.00 1.39 H new ATOM 0 HD13 LEU A 85 8.920 4.753 -1.909 1.00 1.39 H new ATOM 0 HD21 LEU A 85 11.084 6.360 -0.498 1.00 0.94 H new ATOM 0 HD22 LEU A 85 11.306 4.730 -1.179 1.00 0.94 H new ATOM 0 HD23 LEU A 85 12.396 6.052 -1.660 1.00 0.94 H new ATOM 1402 N LYS A 86 11.376 7.818 -5.803 1.00 0.22 N ATOM 1403 CA LYS A 86 12.378 8.538 -6.651 1.00 0.24 C ATOM 1404 C LYS A 86 13.326 9.340 -5.754 1.00 0.23 C ATOM 1405 O LYS A 86 12.933 9.863 -4.736 1.00 0.28 O ATOM 1406 CB LYS A 86 11.639 9.475 -7.611 1.00 0.27 C ATOM 1407 CG LYS A 86 12.601 10.488 -8.253 1.00 0.38 C ATOM 1408 CD LYS A 86 12.561 11.834 -7.515 1.00 0.72 C ATOM 1409 CE LYS A 86 13.218 12.905 -8.390 1.00 0.72 C ATOM 1410 NZ LYS A 86 12.351 13.184 -9.570 1.00 1.42 N ATOM 0 H LYS A 86 10.874 8.409 -5.140 1.00 0.22 H new ATOM 0 HA LYS A 86 12.962 7.820 -7.227 1.00 0.24 H new ATOM 0 HB2 LYS A 86 11.151 8.890 -8.390 1.00 0.27 H new ATOM 0 HB3 LYS A 86 10.854 10.006 -7.072 1.00 0.27 H new ATOM 0 HG2 LYS A 86 13.616 10.091 -8.237 1.00 0.38 H new ATOM 0 HG3 LYS A 86 12.333 10.635 -9.299 1.00 0.38 H new ATOM 0 HD2 LYS A 86 11.530 12.110 -7.293 1.00 0.72 H new ATOM 0 HD3 LYS A 86 13.083 11.756 -6.561 1.00 0.72 H new ATOM 0 HE2 LYS A 86 13.370 13.817 -7.814 1.00 0.72 H new ATOM 0 HE3 LYS A 86 14.201 12.568 -8.719 1.00 0.72 H new ATOM 0 HZ1 LYS A 86 12.503 14.162 -9.889 1.00 1.42 H new ATOM 0 HZ2 LYS A 86 12.591 12.527 -10.340 1.00 1.42 H new ATOM 0 HZ3 LYS A 86 11.353 13.058 -9.305 1.00 1.42 H new ATOM 1424 N ARG A 87 14.569 9.447 -6.139 1.00 0.24 N ATOM 1425 CA ARG A 87 15.540 10.229 -5.309 1.00 0.24 C ATOM 1426 C ARG A 87 15.681 11.647 -5.855 1.00 0.26 C ATOM 1427 O ARG A 87 15.750 11.866 -7.049 1.00 0.28 O ATOM 1428 CB ARG A 87 16.917 9.566 -5.317 1.00 0.27 C ATOM 1429 CG ARG A 87 16.830 8.162 -4.710 1.00 0.62 C ATOM 1430 CD ARG A 87 16.556 8.251 -3.202 1.00 0.43 C ATOM 1431 NE ARG A 87 16.985 6.979 -2.550 1.00 0.48 N ATOM 1432 CZ ARG A 87 17.394 6.974 -1.306 1.00 0.80 C ATOM 1433 NH1 ARG A 87 17.420 8.079 -0.611 1.00 1.64 N ATOM 1434 NH2 ARG A 87 17.771 5.853 -0.754 1.00 0.86 N ATOM 0 H ARG A 87 14.956 9.031 -6.986 1.00 0.24 H new ATOM 0 HA ARG A 87 15.156 10.259 -4.289 1.00 0.24 H new ATOM 0 HB2 ARG A 87 17.294 9.506 -6.338 1.00 0.27 H new ATOM 0 HB3 ARG A 87 17.624 10.172 -4.751 1.00 0.27 H new ATOM 0 HG2 ARG A 87 16.037 7.596 -5.198 1.00 0.62 H new ATOM 0 HG3 ARG A 87 17.761 7.624 -4.886 1.00 0.62 H new ATOM 0 HD2 ARG A 87 17.096 9.094 -2.771 1.00 0.43 H new ATOM 0 HD3 ARG A 87 15.495 8.426 -3.023 1.00 0.43 H new ATOM 0 HE ARG A 87 16.959 6.106 -3.078 1.00 0.48 H new ATOM 0 HH11 ARG A 87 17.120 8.956 -1.036 1.00 1.64 H new ATOM 0 HH12 ARG A 87 17.740 8.065 0.357 1.00 1.64 H new ATOM 0 HH21 ARG A 87 17.746 4.986 -1.291 1.00 0.86 H new ATOM 0 HH22 ARG A 87 18.090 5.844 0.215 1.00 0.86 H new ATOM 1448 N VAL A 88 15.740 12.606 -4.971 1.00 0.27 N ATOM 1449 CA VAL A 88 15.899 14.028 -5.395 1.00 0.30 C ATOM 1450 C VAL A 88 17.286 14.508 -4.978 1.00 0.31 C ATOM 1451 O VAL A 88 17.708 15.596 -5.314 1.00 0.35 O ATOM 1452 CB VAL A 88 14.847 14.904 -4.709 1.00 0.31 C ATOM 1453 CG1 VAL A 88 14.573 16.138 -5.571 1.00 0.49 C ATOM 1454 CG2 VAL A 88 13.546 14.122 -4.521 1.00 0.63 C ATOM 0 H VAL A 88 15.684 12.464 -3.962 1.00 0.27 H new ATOM 0 HA VAL A 88 15.775 14.099 -6.476 1.00 0.30 H new ATOM 0 HB VAL A 88 15.224 15.208 -3.732 1.00 0.31 H new ATOM 0 HG11 VAL A 88 13.824 16.763 -5.084 1.00 0.49 H new ATOM 0 HG12 VAL A 88 15.495 16.707 -5.696 1.00 0.49 H new ATOM 0 HG13 VAL A 88 14.205 15.825 -6.548 1.00 0.49 H new ATOM 0 HG21 VAL A 88 12.807 14.757 -4.032 1.00 0.63 H new ATOM 0 HG22 VAL A 88 13.167 13.807 -5.493 1.00 0.63 H new ATOM 0 HG23 VAL A 88 13.735 13.244 -3.903 1.00 0.63 H new ATOM 1464 N TYR A 89 17.999 13.698 -4.249 1.00 0.31 N ATOM 1465 CA TYR A 89 19.362 14.097 -3.810 1.00 0.37 C ATOM 1466 C TYR A 89 20.146 12.854 -3.384 1.00 0.49 C ATOM 1467 O TYR A 89 19.940 11.812 -3.983 1.00 1.12 O ATOM 1468 CB TYR A 89 19.256 15.066 -2.630 1.00 0.35 C ATOM 1469 CG TYR A 89 20.569 15.789 -2.451 1.00 0.51 C ATOM 1470 CD1 TYR A 89 21.009 16.690 -3.430 1.00 1.46 C ATOM 1471 CD2 TYR A 89 21.347 15.561 -1.309 1.00 1.13 C ATOM 1472 CE1 TYR A 89 22.226 17.363 -3.265 1.00 1.76 C ATOM 1473 CE2 TYR A 89 22.564 16.235 -1.146 1.00 1.28 C ATOM 1474 CZ TYR A 89 23.003 17.136 -2.123 1.00 1.27 C ATOM 1475 OH TYR A 89 24.202 17.799 -1.961 1.00 1.67 O ATOM 1476 OXT TYR A 89 20.939 12.966 -2.463 1.00 1.00 O ATOM 0 H TYR A 89 17.696 12.775 -3.938 1.00 0.31 H new ATOM 0 HA TYR A 89 19.880 14.587 -4.635 1.00 0.37 H new ATOM 0 HB2 TYR A 89 18.455 15.784 -2.806 1.00 0.35 H new ATOM 0 HB3 TYR A 89 19.002 14.522 -1.721 1.00 0.35 H new ATOM 0 HD1 TYR A 89 20.410 16.865 -4.311 1.00 1.46 H new ATOM 0 HD2 TYR A 89 21.009 14.866 -0.555 1.00 1.13 H new ATOM 0 HE1 TYR A 89 22.565 18.058 -4.019 1.00 1.76 H new ATOM 0 HE2 TYR A 89 23.164 16.059 -0.266 1.00 1.28 H new ATOM 0 HH TYR A 89 24.614 17.528 -1.114 1.00 1.67 H new TER 1486 TYR A 89 ATOM 1487 N MET B 1 -21.172 17.983 -1.212 1.00 3.96 N ATOM 1488 CA MET B 1 -21.358 17.503 0.187 1.00 3.21 C ATOM 1489 C MET B 1 -20.563 16.213 0.390 1.00 2.20 C ATOM 1490 O MET B 1 -19.388 16.144 0.088 1.00 2.41 O ATOM 1491 CB MET B 1 -22.843 17.229 0.438 1.00 3.93 C ATOM 1492 CG MET B 1 -23.642 18.519 0.242 1.00 4.72 C ATOM 1493 SD MET B 1 -23.545 19.521 1.746 1.00 5.70 S ATOM 1494 CE MET B 1 -24.230 21.044 1.047 1.00 6.35 C ATOM 0 H1 MET B 1 -21.007 19.010 -1.208 1.00 3.96 H new ATOM 0 H2 MET B 1 -20.354 17.503 -1.638 1.00 3.96 H new ATOM 0 H3 MET B 1 -22.025 17.771 -1.768 1.00 3.96 H new ATOM 0 HA MET B 1 -21.005 18.264 0.883 1.00 3.21 H new ATOM 0 HB2 MET B 1 -23.202 16.459 -0.245 1.00 3.93 H new ATOM 0 HB3 MET B 1 -22.988 16.850 1.450 1.00 3.93 H new ATOM 0 HG2 MET B 1 -23.248 19.078 -0.607 1.00 4.72 H new ATOM 0 HG3 MET B 1 -24.682 18.285 0.014 1.00 4.72 H new ATOM 0 HE1 MET B 1 -24.263 21.815 1.817 1.00 6.35 H new ATOM 0 HE2 MET B 1 -23.601 21.381 0.223 1.00 6.35 H new ATOM 0 HE3 MET B 1 -25.239 20.854 0.680 1.00 6.35 H new ATOM 1506 N THR B 2 -21.195 15.189 0.896 1.00 1.60 N ATOM 1507 CA THR B 2 -20.481 13.900 1.115 1.00 1.14 C ATOM 1508 C THR B 2 -20.742 12.980 -0.072 1.00 0.94 C ATOM 1509 O THR B 2 -20.673 11.771 0.031 1.00 1.61 O ATOM 1510 CB THR B 2 -20.992 13.243 2.397 1.00 1.83 C ATOM 1511 OG1 THR B 2 -20.075 12.242 2.814 1.00 2.42 O ATOM 1512 CG2 THR B 2 -22.361 12.609 2.141 1.00 2.32 C ATOM 0 H THR B 2 -22.178 15.190 1.168 1.00 1.60 H new ATOM 0 HA THR B 2 -19.411 14.083 1.210 1.00 1.14 H new ATOM 0 HB THR B 2 -21.086 13.998 3.177 1.00 1.83 H new ATOM 0 HG1 THR B 2 -19.864 11.656 2.058 1.00 2.42 H new ATOM 0 HG21 THR B 2 -22.722 12.141 3.057 1.00 2.32 H new ATOM 0 HG22 THR B 2 -23.065 13.379 1.824 1.00 2.32 H new ATOM 0 HG23 THR B 2 -22.272 11.855 1.359 1.00 2.32 H new ATOM 1520 N GLU B 3 -21.061 13.551 -1.196 1.00 0.88 N ATOM 1521 CA GLU B 3 -21.355 12.730 -2.397 1.00 0.65 C ATOM 1522 C GLU B 3 -20.076 12.086 -2.919 1.00 0.59 C ATOM 1523 O GLU B 3 -19.880 10.904 -2.765 1.00 0.81 O ATOM 1524 CB GLU B 3 -21.932 13.636 -3.480 1.00 0.93 C ATOM 1525 CG GLU B 3 -23.281 14.196 -3.023 1.00 0.89 C ATOM 1526 CD GLU B 3 -24.346 13.899 -4.080 1.00 1.04 C ATOM 1527 OE1 GLU B 3 -24.081 14.147 -5.245 1.00 1.56 O ATOM 1528 OE2 GLU B 3 -25.409 13.431 -3.707 1.00 1.68 O ATOM 0 H GLU B 3 -21.131 14.559 -1.335 1.00 0.88 H new ATOM 0 HA GLU B 3 -22.067 11.947 -2.134 1.00 0.65 H new ATOM 0 HB2 GLU B 3 -21.241 14.453 -3.690 1.00 0.93 H new ATOM 0 HB3 GLU B 3 -22.055 13.077 -4.407 1.00 0.93 H new ATOM 0 HG2 GLU B 3 -23.567 13.751 -2.070 1.00 0.89 H new ATOM 0 HG3 GLU B 3 -23.204 15.271 -2.862 1.00 0.89 H new ATOM 1535 N LYS B 4 -19.188 12.831 -3.519 1.00 0.65 N ATOM 1536 CA LYS B 4 -17.930 12.207 -4.023 1.00 0.57 C ATOM 1537 C LYS B 4 -16.851 12.263 -2.950 1.00 0.51 C ATOM 1538 O LYS B 4 -15.813 12.872 -3.116 1.00 0.47 O ATOM 1539 CB LYS B 4 -17.445 12.940 -5.268 1.00 0.60 C ATOM 1540 CG LYS B 4 -17.779 14.425 -5.152 1.00 1.06 C ATOM 1541 CD LYS B 4 -19.136 14.698 -5.805 1.00 1.25 C ATOM 1542 CE LYS B 4 -18.954 14.850 -7.315 1.00 1.83 C ATOM 1543 NZ LYS B 4 -18.798 16.292 -7.654 1.00 2.31 N ATOM 0 H LYS B 4 -19.276 13.834 -3.681 1.00 0.65 H new ATOM 0 HA LYS B 4 -18.134 11.166 -4.274 1.00 0.57 H new ATOM 0 HB2 LYS B 4 -16.369 12.807 -5.384 1.00 0.60 H new ATOM 0 HB3 LYS B 4 -17.916 12.519 -6.156 1.00 0.60 H new ATOM 0 HG2 LYS B 4 -17.802 14.722 -4.104 1.00 1.06 H new ATOM 0 HG3 LYS B 4 -17.005 15.021 -5.635 1.00 1.06 H new ATOM 0 HD2 LYS B 4 -19.825 13.881 -5.592 1.00 1.25 H new ATOM 0 HD3 LYS B 4 -19.576 15.604 -5.388 1.00 1.25 H new ATOM 0 HE2 LYS B 4 -18.078 14.291 -7.644 1.00 1.83 H new ATOM 0 HE3 LYS B 4 -19.814 14.433 -7.839 1.00 1.83 H new ATOM 0 HZ1 LYS B 4 -18.674 16.396 -8.681 1.00 2.31 H new ATOM 0 HZ2 LYS B 4 -19.646 16.813 -7.353 1.00 2.31 H new ATOM 0 HZ3 LYS B 4 -17.964 16.676 -7.164 1.00 2.31 H new ATOM 1557 N LEU B 5 -17.088 11.628 -1.852 1.00 0.55 N ATOM 1558 CA LEU B 5 -16.088 11.624 -0.761 1.00 0.57 C ATOM 1559 C LEU B 5 -16.444 10.464 0.165 1.00 0.76 C ATOM 1560 O LEU B 5 -17.596 10.097 0.277 1.00 1.59 O ATOM 1561 CB LEU B 5 -16.141 12.964 -0.012 1.00 0.62 C ATOM 1562 CG LEU B 5 -14.766 13.650 -0.038 1.00 0.90 C ATOM 1563 CD1 LEU B 5 -14.917 15.110 0.396 1.00 1.35 C ATOM 1564 CD2 LEU B 5 -13.816 12.936 0.926 1.00 1.62 C ATOM 0 H LEU B 5 -17.941 11.104 -1.658 1.00 0.55 H new ATOM 0 HA LEU B 5 -15.075 11.500 -1.144 1.00 0.57 H new ATOM 0 HB2 LEU B 5 -16.887 13.614 -0.470 1.00 0.62 H new ATOM 0 HB3 LEU B 5 -16.452 12.799 1.020 1.00 0.62 H new ATOM 0 HG LEU B 5 -14.361 13.606 -1.049 1.00 0.90 H new ATOM 0 HD11 LEU B 5 -13.942 15.598 0.378 1.00 1.35 H new ATOM 0 HD12 LEU B 5 -15.593 15.625 -0.287 1.00 1.35 H new ATOM 0 HD13 LEU B 5 -15.324 15.149 1.407 1.00 1.35 H new ATOM 0 HD21 LEU B 5 -12.842 13.425 0.905 1.00 1.62 H new ATOM 0 HD22 LEU B 5 -14.223 12.980 1.936 1.00 1.62 H new ATOM 0 HD23 LEU B 5 -13.706 11.895 0.624 1.00 1.62 H new ATOM 1576 N ASN B 6 -15.499 9.919 0.879 1.00 0.33 N ATOM 1577 CA ASN B 6 -15.843 8.825 1.835 1.00 0.35 C ATOM 1578 C ASN B 6 -14.591 8.319 2.545 1.00 0.29 C ATOM 1579 O ASN B 6 -13.907 7.445 2.046 1.00 0.32 O ATOM 1580 CB ASN B 6 -16.531 7.654 1.120 1.00 0.52 C ATOM 1581 CG ASN B 6 -17.802 7.289 1.885 1.00 0.62 C ATOM 1582 OD1 ASN B 6 -17.829 6.188 2.585 1.00 1.46 O flip ATOM 1583 ND2 ASN B 6 -18.777 8.013 1.852 1.00 0.99 N flip ATOM 0 H ASN B 6 -14.513 10.179 0.845 1.00 0.33 H new ATOM 0 HA ASN B 6 -16.534 9.240 2.569 1.00 0.35 H new ATOM 0 HB2 ASN B 6 -16.774 7.929 0.094 1.00 0.52 H new ATOM 0 HB3 ASN B 6 -15.861 6.796 1.070 1.00 0.52 H new ATOM 0 HD21 ASN B 6 -18.755 8.873 1.305 1.00 0.99 H new ATOM 0 HD22 ASN B 6 -19.618 7.760 2.372 1.00 0.99 H new ATOM 1590 N GLU B 7 -14.272 8.826 3.697 1.00 0.28 N ATOM 1591 CA GLU B 7 -13.063 8.312 4.391 1.00 0.30 C ATOM 1592 C GLU B 7 -13.501 7.153 5.281 1.00 0.32 C ATOM 1593 O GLU B 7 -14.030 7.342 6.359 1.00 0.37 O ATOM 1594 CB GLU B 7 -12.419 9.420 5.228 1.00 0.36 C ATOM 1595 CG GLU B 7 -13.501 10.291 5.870 1.00 0.53 C ATOM 1596 CD GLU B 7 -12.841 11.345 6.762 1.00 0.76 C ATOM 1597 OE1 GLU B 7 -11.668 11.611 6.563 1.00 1.08 O ATOM 1598 OE2 GLU B 7 -13.521 11.870 7.628 1.00 1.49 O ATOM 0 H GLU B 7 -14.785 9.562 4.183 1.00 0.28 H new ATOM 0 HA GLU B 7 -12.321 7.974 3.668 1.00 0.30 H new ATOM 0 HB2 GLU B 7 -11.788 8.982 6.001 1.00 0.36 H new ATOM 0 HB3 GLU B 7 -11.774 10.033 4.599 1.00 0.36 H new ATOM 0 HG2 GLU B 7 -14.100 10.775 5.098 1.00 0.53 H new ATOM 0 HG3 GLU B 7 -14.179 9.673 6.459 1.00 0.53 H new ATOM 1605 N ILE B 8 -13.288 5.949 4.818 1.00 0.33 N ATOM 1606 CA ILE B 8 -13.691 4.746 5.600 1.00 0.38 C ATOM 1607 C ILE B 8 -12.444 4.015 6.079 1.00 0.34 C ATOM 1608 O ILE B 8 -11.465 3.904 5.369 1.00 0.34 O ATOM 1609 CB ILE B 8 -14.517 3.808 4.717 1.00 0.42 C ATOM 1610 CG1 ILE B 8 -15.757 4.546 4.192 1.00 0.47 C ATOM 1611 CG2 ILE B 8 -14.950 2.585 5.529 1.00 0.62 C ATOM 1612 CD1 ILE B 8 -16.904 4.445 5.205 1.00 1.17 C ATOM 0 H ILE B 8 -12.847 5.747 3.921 1.00 0.33 H new ATOM 0 HA ILE B 8 -14.289 5.057 6.457 1.00 0.38 H new ATOM 0 HB ILE B 8 -13.909 3.483 3.872 1.00 0.42 H new ATOM 0 HG12 ILE B 8 -15.515 5.593 4.009 1.00 0.47 H new ATOM 0 HG13 ILE B 8 -16.066 4.119 3.238 1.00 0.47 H new ATOM 0 HG21 ILE B 8 -15.538 1.919 4.898 1.00 0.62 H new ATOM 0 HG22 ILE B 8 -14.067 2.057 5.891 1.00 0.62 H new ATOM 0 HG23 ILE B 8 -15.553 2.907 6.378 1.00 0.62 H new ATOM 0 HD11 ILE B 8 -17.777 4.972 4.820 1.00 1.17 H new ATOM 0 HD12 ILE B 8 -17.156 3.397 5.367 1.00 1.17 H new ATOM 0 HD13 ILE B 8 -16.596 4.894 6.149 1.00 1.17 H new ATOM 1624 N VAL B 9 -12.482 3.518 7.279 1.00 0.32 N ATOM 1625 CA VAL B 9 -11.313 2.788 7.838 1.00 0.30 C ATOM 1626 C VAL B 9 -11.570 1.282 7.831 1.00 0.27 C ATOM 1627 O VAL B 9 -12.604 0.809 8.259 1.00 0.28 O ATOM 1628 CB VAL B 9 -11.071 3.252 9.272 1.00 0.34 C ATOM 1629 CG1 VAL B 9 -9.870 2.505 9.859 1.00 1.37 C ATOM 1630 CG2 VAL B 9 -10.797 4.758 9.284 1.00 1.27 C ATOM 0 H VAL B 9 -13.284 3.587 7.906 1.00 0.32 H new ATOM 0 HA VAL B 9 -10.438 2.998 7.223 1.00 0.30 H new ATOM 0 HB VAL B 9 -11.955 3.041 9.874 1.00 0.34 H new ATOM 0 HG11 VAL B 9 -9.699 2.838 10.883 1.00 1.37 H new ATOM 0 HG12 VAL B 9 -10.070 1.434 9.855 1.00 1.37 H new ATOM 0 HG13 VAL B 9 -8.984 2.711 9.258 1.00 1.37 H new ATOM 0 HG21 VAL B 9 -10.624 5.088 10.308 1.00 1.27 H new ATOM 0 HG22 VAL B 9 -9.915 4.972 8.680 1.00 1.27 H new ATOM 0 HG23 VAL B 9 -11.656 5.287 8.872 1.00 1.27 H new ATOM 1640 N VAL B 10 -10.630 0.531 7.342 1.00 0.24 N ATOM 1641 CA VAL B 10 -10.806 -0.946 7.296 1.00 0.22 C ATOM 1642 C VAL B 10 -10.285 -1.524 8.610 1.00 0.20 C ATOM 1643 O VAL B 10 -9.535 -0.879 9.316 1.00 0.21 O ATOM 1644 CB VAL B 10 -10.023 -1.513 6.103 1.00 0.22 C ATOM 1645 CG1 VAL B 10 -8.615 -1.921 6.537 1.00 0.34 C ATOM 1646 CG2 VAL B 10 -10.748 -2.735 5.548 1.00 0.37 C ATOM 0 H VAL B 10 -9.744 0.875 6.971 1.00 0.24 H new ATOM 0 HA VAL B 10 -11.856 -1.211 7.172 1.00 0.22 H new ATOM 0 HB VAL B 10 -9.952 -0.743 5.335 1.00 0.22 H new ATOM 0 HG11 VAL B 10 -8.072 -2.321 5.681 1.00 0.34 H new ATOM 0 HG12 VAL B 10 -8.088 -1.050 6.926 1.00 0.34 H new ATOM 0 HG13 VAL B 10 -8.680 -2.683 7.314 1.00 0.34 H new ATOM 0 HG21 VAL B 10 -10.190 -3.136 4.701 1.00 0.37 H new ATOM 0 HG22 VAL B 10 -10.825 -3.496 6.324 1.00 0.37 H new ATOM 0 HG23 VAL B 10 -11.747 -2.448 5.221 1.00 0.37 H new ATOM 1656 N ARG B 11 -10.699 -2.714 8.961 1.00 0.19 N ATOM 1657 CA ARG B 11 -10.252 -3.304 10.255 1.00 0.20 C ATOM 1658 C ARG B 11 -9.828 -4.757 10.076 1.00 0.21 C ATOM 1659 O ARG B 11 -10.055 -5.373 9.054 1.00 0.22 O ATOM 1660 CB ARG B 11 -11.402 -3.252 11.260 1.00 0.22 C ATOM 1661 CG ARG B 11 -12.399 -2.172 10.844 1.00 0.51 C ATOM 1662 CD ARG B 11 -13.452 -2.002 11.940 1.00 0.49 C ATOM 1663 NE ARG B 11 -14.799 -1.879 11.317 1.00 1.28 N ATOM 1664 CZ ARG B 11 -15.109 -0.806 10.640 1.00 1.53 C ATOM 1665 NH1 ARG B 11 -14.242 0.162 10.521 1.00 1.59 N ATOM 1666 NH2 ARG B 11 -16.286 -0.701 10.086 1.00 2.37 N ATOM 0 H ARG B 11 -11.325 -3.300 8.409 1.00 0.19 H new ATOM 0 HA ARG B 11 -9.400 -2.728 10.616 1.00 0.20 H new ATOM 0 HB2 ARG B 11 -11.899 -4.221 11.309 1.00 0.22 H new ATOM 0 HB3 ARG B 11 -11.017 -3.041 12.258 1.00 0.22 H new ATOM 0 HG2 ARG B 11 -11.880 -1.229 10.674 1.00 0.51 H new ATOM 0 HG3 ARG B 11 -12.878 -2.446 9.904 1.00 0.51 H new ATOM 0 HD2 ARG B 11 -13.429 -2.856 12.617 1.00 0.49 H new ATOM 0 HD3 ARG B 11 -13.233 -1.116 12.536 1.00 0.49 H new ATOM 0 HE ARG B 11 -15.479 -2.632 11.419 1.00 1.28 H new ATOM 0 HH11 ARG B 11 -13.323 0.080 10.956 1.00 1.59 H new ATOM 0 HH12 ARG B 11 -14.483 1.000 9.992 1.00 1.59 H new ATOM 0 HH21 ARG B 11 -16.964 -1.457 10.182 1.00 2.37 H new ATOM 0 HH22 ARG B 11 -16.528 0.137 9.557 1.00 2.37 H new ATOM 1680 N LYS B 12 -9.219 -5.298 11.088 1.00 0.22 N ATOM 1681 CA LYS B 12 -8.763 -6.711 11.047 1.00 0.25 C ATOM 1682 C LYS B 12 -9.800 -7.582 11.740 1.00 0.25 C ATOM 1683 O LYS B 12 -9.753 -8.794 11.678 1.00 0.31 O ATOM 1684 CB LYS B 12 -7.439 -6.825 11.802 1.00 0.31 C ATOM 1685 CG LYS B 12 -7.632 -6.362 13.262 1.00 0.43 C ATOM 1686 CD LYS B 12 -8.235 -7.473 14.135 1.00 1.00 C ATOM 1687 CE LYS B 12 -7.535 -7.482 15.494 1.00 0.99 C ATOM 1688 NZ LYS B 12 -8.280 -8.370 16.431 1.00 1.75 N ATOM 0 H LYS B 12 -9.014 -4.811 11.960 1.00 0.22 H new ATOM 0 HA LYS B 12 -8.634 -7.033 10.014 1.00 0.25 H new ATOM 0 HB2 LYS B 12 -7.085 -7.856 11.781 1.00 0.31 H new ATOM 0 HB3 LYS B 12 -6.678 -6.216 11.315 1.00 0.31 H new ATOM 0 HG2 LYS B 12 -6.672 -6.054 13.676 1.00 0.43 H new ATOM 0 HG3 LYS B 12 -8.283 -5.488 13.284 1.00 0.43 H new ATOM 0 HD2 LYS B 12 -9.305 -7.309 14.265 1.00 1.00 H new ATOM 0 HD3 LYS B 12 -8.118 -8.440 13.646 1.00 1.00 H new ATOM 0 HE2 LYS B 12 -6.508 -7.831 15.384 1.00 0.99 H new ATOM 0 HE3 LYS B 12 -7.486 -6.470 15.896 1.00 0.99 H new ATOM 0 HZ1 LYS B 12 -7.804 -8.376 17.356 1.00 1.75 H new ATOM 0 HZ2 LYS B 12 -9.252 -8.018 16.544 1.00 1.75 H new ATOM 0 HZ3 LYS B 12 -8.305 -9.336 16.048 1.00 1.75 H new ATOM 1702 N THR B 13 -10.730 -6.971 12.413 1.00 0.25 N ATOM 1703 CA THR B 13 -11.763 -7.763 13.128 1.00 0.36 C ATOM 1704 C THR B 13 -12.948 -7.996 12.198 1.00 0.49 C ATOM 1705 O THR B 13 -13.825 -8.792 12.472 1.00 0.91 O ATOM 1706 CB THR B 13 -12.227 -7.000 14.368 1.00 0.45 C ATOM 1707 OG1 THR B 13 -13.464 -7.537 14.816 1.00 1.19 O ATOM 1708 CG2 THR B 13 -12.404 -5.520 14.025 1.00 1.07 C ATOM 0 H THR B 13 -10.820 -5.959 12.499 1.00 0.25 H new ATOM 0 HA THR B 13 -11.343 -8.721 13.433 1.00 0.36 H new ATOM 0 HB THR B 13 -11.480 -7.099 15.156 1.00 0.45 H new ATOM 0 HG1 THR B 13 -13.670 -8.351 14.310 1.00 1.19 H new ATOM 0 HG21 THR B 13 -12.735 -4.978 14.911 1.00 1.07 H new ATOM 0 HG22 THR B 13 -11.454 -5.110 13.683 1.00 1.07 H new ATOM 0 HG23 THR B 13 -13.149 -5.416 13.237 1.00 1.07 H new ATOM 1716 N LYS B 14 -12.959 -7.329 11.083 1.00 0.31 N ATOM 1717 CA LYS B 14 -14.053 -7.523 10.097 1.00 0.38 C ATOM 1718 C LYS B 14 -13.573 -8.533 9.050 1.00 0.44 C ATOM 1719 O LYS B 14 -13.113 -9.610 9.379 1.00 1.02 O ATOM 1720 CB LYS B 14 -14.365 -6.178 9.438 1.00 0.41 C ATOM 1721 CG LYS B 14 -15.042 -5.246 10.452 1.00 0.68 C ATOM 1722 CD LYS B 14 -16.492 -5.680 10.700 1.00 0.90 C ATOM 1723 CE LYS B 14 -16.667 -6.074 12.167 1.00 1.34 C ATOM 1724 NZ LYS B 14 -18.052 -6.584 12.376 1.00 1.47 N ATOM 0 H LYS B 14 -12.249 -6.650 10.809 1.00 0.31 H new ATOM 0 HA LYS B 14 -14.957 -7.897 10.578 1.00 0.38 H new ATOM 0 HB2 LYS B 14 -13.446 -5.722 9.068 1.00 0.41 H new ATOM 0 HB3 LYS B 14 -15.016 -6.327 8.577 1.00 0.41 H new ATOM 0 HG2 LYS B 14 -14.488 -5.257 11.391 1.00 0.68 H new ATOM 0 HG3 LYS B 14 -15.022 -4.221 10.082 1.00 0.68 H new ATOM 0 HD2 LYS B 14 -17.173 -4.868 10.448 1.00 0.90 H new ATOM 0 HD3 LYS B 14 -16.746 -6.521 10.055 1.00 0.90 H new ATOM 0 HE2 LYS B 14 -15.940 -6.839 12.440 1.00 1.34 H new ATOM 0 HE3 LYS B 14 -16.482 -5.214 12.811 1.00 1.34 H new ATOM 0 HZ1 LYS B 14 -18.176 -6.853 13.373 1.00 1.47 H new ATOM 0 HZ2 LYS B 14 -18.736 -5.840 12.131 1.00 1.47 H new ATOM 0 HZ3 LYS B 14 -18.211 -7.415 11.771 1.00 1.47 H new ATOM 1738 N ASN B 15 -13.669 -8.195 7.795 1.00 0.41 N ATOM 1739 CA ASN B 15 -13.209 -9.133 6.734 1.00 0.31 C ATOM 1740 C ASN B 15 -13.127 -8.389 5.402 1.00 0.26 C ATOM 1741 O ASN B 15 -13.692 -7.325 5.235 1.00 0.30 O ATOM 1742 CB ASN B 15 -14.199 -10.293 6.610 1.00 0.39 C ATOM 1743 CG ASN B 15 -13.652 -11.515 7.352 1.00 0.53 C ATOM 1744 OD1 ASN B 15 -12.613 -12.037 7.003 1.00 1.22 O ATOM 1745 ND2 ASN B 15 -14.315 -11.995 8.369 1.00 1.21 N ATOM 0 H ASN B 15 -14.046 -7.309 7.458 1.00 0.41 H new ATOM 0 HA ASN B 15 -12.226 -9.524 6.996 1.00 0.31 H new ATOM 0 HB2 ASN B 15 -15.165 -10.006 7.024 1.00 0.39 H new ATOM 0 HB3 ASN B 15 -14.362 -10.535 5.560 1.00 0.39 H new ATOM 0 HD21 ASN B 15 -13.960 -12.809 8.871 1.00 1.21 H new ATOM 0 HD22 ASN B 15 -15.188 -11.556 8.662 1.00 1.21 H new ATOM 1752 N VAL B 16 -12.427 -8.940 4.452 1.00 0.24 N ATOM 1753 CA VAL B 16 -12.306 -8.265 3.132 1.00 0.25 C ATOM 1754 C VAL B 16 -13.691 -8.174 2.492 1.00 0.24 C ATOM 1755 O VAL B 16 -14.056 -7.184 1.877 1.00 0.25 O ATOM 1756 CB VAL B 16 -11.377 -9.074 2.225 1.00 0.28 C ATOM 1757 CG1 VAL B 16 -10.120 -9.471 3.001 1.00 0.26 C ATOM 1758 CG2 VAL B 16 -12.099 -10.339 1.753 1.00 0.45 C ATOM 0 H VAL B 16 -11.933 -9.829 4.533 1.00 0.24 H new ATOM 0 HA VAL B 16 -11.894 -7.265 3.267 1.00 0.25 H new ATOM 0 HB VAL B 16 -11.097 -8.468 1.363 1.00 0.28 H new ATOM 0 HG11 VAL B 16 -9.459 -10.047 2.353 1.00 0.26 H new ATOM 0 HG12 VAL B 16 -9.603 -8.573 3.340 1.00 0.26 H new ATOM 0 HG13 VAL B 16 -10.401 -10.076 3.863 1.00 0.26 H new ATOM 0 HG21 VAL B 16 -11.437 -10.916 1.107 1.00 0.45 H new ATOM 0 HG22 VAL B 16 -12.379 -10.942 2.617 1.00 0.45 H new ATOM 0 HG23 VAL B 16 -12.996 -10.061 1.199 1.00 0.45 H new ATOM 1768 N GLU B 17 -14.473 -9.201 2.651 1.00 0.24 N ATOM 1769 CA GLU B 17 -15.834 -9.185 2.069 1.00 0.27 C ATOM 1770 C GLU B 17 -16.693 -8.221 2.870 1.00 0.28 C ATOM 1771 O GLU B 17 -17.593 -7.600 2.354 1.00 0.30 O ATOM 1772 CB GLU B 17 -16.447 -10.587 2.131 1.00 0.37 C ATOM 1773 CG GLU B 17 -16.981 -10.859 3.539 1.00 0.79 C ATOM 1774 CD GLU B 17 -17.167 -12.365 3.734 1.00 1.09 C ATOM 1775 OE1 GLU B 17 -17.999 -12.933 3.044 1.00 1.70 O ATOM 1776 OE2 GLU B 17 -16.477 -12.923 4.570 1.00 1.53 O ATOM 0 H GLU B 17 -14.226 -10.050 3.160 1.00 0.24 H new ATOM 0 HA GLU B 17 -15.784 -8.869 1.027 1.00 0.27 H new ATOM 0 HB2 GLU B 17 -17.254 -10.673 1.403 1.00 0.37 H new ATOM 0 HB3 GLU B 17 -15.698 -11.333 1.866 1.00 0.37 H new ATOM 0 HG2 GLU B 17 -16.288 -10.468 4.284 1.00 0.79 H new ATOM 0 HG3 GLU B 17 -17.930 -10.343 3.685 1.00 0.79 H new ATOM 1783 N ASP B 18 -16.439 -8.114 4.140 1.00 0.29 N ATOM 1784 CA ASP B 18 -17.256 -7.227 4.997 1.00 0.35 C ATOM 1785 C ASP B 18 -17.137 -5.755 4.594 1.00 0.32 C ATOM 1786 O ASP B 18 -18.092 -5.013 4.738 1.00 0.32 O ATOM 1787 CB ASP B 18 -16.790 -7.400 6.438 1.00 0.43 C ATOM 1788 CG ASP B 18 -17.671 -6.571 7.372 1.00 0.66 C ATOM 1789 OD1 ASP B 18 -17.822 -5.388 7.120 1.00 1.46 O ATOM 1790 OD2 ASP B 18 -18.184 -7.137 8.324 1.00 1.19 O ATOM 0 H ASP B 18 -15.691 -8.610 4.624 1.00 0.29 H new ATOM 0 HA ASP B 18 -18.304 -7.505 4.882 1.00 0.35 H new ATOM 0 HB2 ASP B 18 -16.835 -8.452 6.720 1.00 0.43 H new ATOM 0 HB3 ASP B 18 -15.750 -7.088 6.533 1.00 0.43 H new ATOM 1795 N HIS B 19 -16.023 -5.293 4.069 1.00 0.31 N ATOM 1796 CA HIS B 19 -15.949 -3.857 3.670 1.00 0.31 C ATOM 1797 C HIS B 19 -16.296 -3.751 2.191 1.00 0.27 C ATOM 1798 O HIS B 19 -16.732 -2.721 1.717 1.00 0.30 O ATOM 1799 CB HIS B 19 -14.531 -3.334 3.887 1.00 0.35 C ATOM 1800 CG HIS B 19 -14.028 -3.777 5.230 1.00 0.49 C ATOM 1801 ND1 HIS B 19 -13.167 -4.855 5.373 1.00 1.21 N ATOM 1802 CD2 HIS B 19 -14.244 -3.296 6.496 1.00 1.40 C ATOM 1803 CE1 HIS B 19 -12.898 -4.986 6.684 1.00 1.22 C ATOM 1804 NE2 HIS B 19 -13.530 -4.060 7.409 1.00 1.39 N ATOM 0 H HIS B 19 -15.179 -5.841 3.904 1.00 0.31 H new ATOM 0 HA HIS B 19 -16.644 -3.270 4.270 1.00 0.31 H new ATOM 0 HB2 HIS B 19 -13.872 -3.704 3.101 1.00 0.35 H new ATOM 0 HB3 HIS B 19 -14.521 -2.246 3.825 1.00 0.35 H new ATOM 0 HD1 HIS B 19 -12.804 -5.441 4.621 1.00 1.21 H new ATOM 0 HD2 HIS B 19 -14.872 -2.453 6.744 1.00 1.40 H new ATOM 0 HE1 HIS B 19 -12.252 -5.745 7.099 1.00 1.22 H new ATOM 1813 N VAL B 20 -16.172 -4.832 1.468 1.00 0.23 N ATOM 1814 CA VAL B 20 -16.574 -4.791 0.042 1.00 0.22 C ATOM 1815 C VAL B 20 -18.085 -4.601 0.083 1.00 0.22 C ATOM 1816 O VAL B 20 -18.675 -3.860 -0.678 1.00 0.23 O ATOM 1817 CB VAL B 20 -16.179 -6.116 -0.635 1.00 0.25 C ATOM 1818 CG1 VAL B 20 -17.390 -6.785 -1.300 1.00 0.34 C ATOM 1819 CG2 VAL B 20 -15.110 -5.850 -1.695 1.00 0.34 C ATOM 0 H VAL B 20 -15.815 -5.727 1.801 1.00 0.23 H new ATOM 0 HA VAL B 20 -16.092 -3.997 -0.529 1.00 0.22 H new ATOM 0 HB VAL B 20 -15.792 -6.786 0.133 1.00 0.25 H new ATOM 0 HG11 VAL B 20 -17.078 -7.718 -1.769 1.00 0.34 H new ATOM 0 HG12 VAL B 20 -18.150 -6.994 -0.547 1.00 0.34 H new ATOM 0 HG13 VAL B 20 -17.803 -6.119 -2.057 1.00 0.34 H new ATOM 0 HG21 VAL B 20 -14.831 -6.789 -2.174 1.00 0.34 H new ATOM 0 HG22 VAL B 20 -15.504 -5.163 -2.444 1.00 0.34 H new ATOM 0 HG23 VAL B 20 -14.232 -5.408 -1.224 1.00 0.34 H new ATOM 1829 N LEU B 21 -18.687 -5.271 1.024 1.00 0.23 N ATOM 1830 CA LEU B 21 -20.155 -5.168 1.226 1.00 0.26 C ATOM 1831 C LEU B 21 -20.489 -3.746 1.673 1.00 0.26 C ATOM 1832 O LEU B 21 -21.368 -3.097 1.131 1.00 0.27 O ATOM 1833 CB LEU B 21 -20.585 -6.134 2.331 1.00 0.29 C ATOM 1834 CG LEU B 21 -20.612 -7.574 1.804 1.00 0.32 C ATOM 1835 CD1 LEU B 21 -20.898 -8.532 2.963 1.00 0.36 C ATOM 1836 CD2 LEU B 21 -21.705 -7.729 0.738 1.00 0.38 C ATOM 0 H LEU B 21 -18.212 -5.898 1.674 1.00 0.23 H new ATOM 0 HA LEU B 21 -20.671 -5.411 0.297 1.00 0.26 H new ATOM 0 HB2 LEU B 21 -19.897 -6.062 3.174 1.00 0.29 H new ATOM 0 HB3 LEU B 21 -21.572 -5.857 2.701 1.00 0.29 H new ATOM 0 HG LEU B 21 -19.645 -7.807 1.358 1.00 0.32 H new ATOM 0 HD11 LEU B 21 -20.918 -9.557 2.592 1.00 0.36 H new ATOM 0 HD12 LEU B 21 -20.117 -8.434 3.717 1.00 0.36 H new ATOM 0 HD13 LEU B 21 -21.863 -8.288 3.407 1.00 0.36 H new ATOM 0 HD21 LEU B 21 -21.713 -8.756 0.372 1.00 0.38 H new ATOM 0 HD22 LEU B 21 -22.675 -7.491 1.174 1.00 0.38 H new ATOM 0 HD23 LEU B 21 -21.504 -7.050 -0.091 1.00 0.38 H new ATOM 1848 N ASP B 22 -19.786 -3.247 2.654 1.00 0.27 N ATOM 1849 CA ASP B 22 -20.068 -1.865 3.129 1.00 0.30 C ATOM 1850 C ASP B 22 -19.617 -0.852 2.073 1.00 0.28 C ATOM 1851 O ASP B 22 -20.195 0.206 1.930 1.00 0.31 O ATOM 1852 CB ASP B 22 -19.313 -1.609 4.436 1.00 0.33 C ATOM 1853 CG ASP B 22 -19.899 -0.378 5.130 1.00 0.42 C ATOM 1854 OD1 ASP B 22 -20.779 0.240 4.554 1.00 1.21 O ATOM 1855 OD2 ASP B 22 -19.457 -0.075 6.226 1.00 1.00 O ATOM 0 H ASP B 22 -19.034 -3.733 3.143 1.00 0.27 H new ATOM 0 HA ASP B 22 -21.139 -1.756 3.299 1.00 0.30 H new ATOM 0 HB2 ASP B 22 -19.389 -2.479 5.089 1.00 0.33 H new ATOM 0 HB3 ASP B 22 -18.253 -1.455 4.232 1.00 0.33 H new ATOM 1860 N VAL B 23 -18.588 -1.160 1.332 1.00 0.26 N ATOM 1861 CA VAL B 23 -18.115 -0.204 0.293 1.00 0.27 C ATOM 1862 C VAL B 23 -19.160 -0.126 -0.822 1.00 0.26 C ATOM 1863 O VAL B 23 -19.676 0.932 -1.133 1.00 0.28 O ATOM 1864 CB VAL B 23 -16.780 -0.688 -0.282 1.00 0.26 C ATOM 1865 CG1 VAL B 23 -16.423 0.136 -1.520 1.00 0.29 C ATOM 1866 CG2 VAL B 23 -15.683 -0.514 0.771 1.00 0.30 C ATOM 0 H VAL B 23 -18.057 -2.028 1.401 1.00 0.26 H new ATOM 0 HA VAL B 23 -17.974 0.782 0.735 1.00 0.27 H new ATOM 0 HB VAL B 23 -16.866 -1.739 -0.558 1.00 0.26 H new ATOM 0 HG11 VAL B 23 -15.473 -0.211 -1.926 1.00 0.29 H new ATOM 0 HG12 VAL B 23 -17.203 0.020 -2.272 1.00 0.29 H new ATOM 0 HG13 VAL B 23 -16.338 1.187 -1.245 1.00 0.29 H new ATOM 0 HG21 VAL B 23 -14.731 -0.857 0.365 1.00 0.30 H new ATOM 0 HG22 VAL B 23 -15.603 0.539 1.043 1.00 0.30 H new ATOM 0 HG23 VAL B 23 -15.932 -1.099 1.656 1.00 0.30 H new ATOM 1876 N ILE B 24 -19.480 -1.239 -1.422 1.00 0.23 N ATOM 1877 CA ILE B 24 -20.494 -1.226 -2.508 1.00 0.25 C ATOM 1878 C ILE B 24 -21.790 -0.623 -1.969 1.00 0.26 C ATOM 1879 O ILE B 24 -22.592 -0.090 -2.711 1.00 0.28 O ATOM 1880 CB ILE B 24 -20.737 -2.657 -3.008 1.00 0.27 C ATOM 1881 CG1 ILE B 24 -21.092 -2.619 -4.497 1.00 0.46 C ATOM 1882 CG2 ILE B 24 -21.887 -3.305 -2.229 1.00 0.36 C ATOM 1883 CD1 ILE B 24 -21.372 -4.040 -4.991 1.00 0.69 C ATOM 0 H ILE B 24 -19.083 -2.154 -1.207 1.00 0.23 H new ATOM 0 HA ILE B 24 -20.137 -0.624 -3.343 1.00 0.25 H new ATOM 0 HB ILE B 24 -19.831 -3.244 -2.856 1.00 0.27 H new ATOM 0 HG12 ILE B 24 -21.966 -1.988 -4.657 1.00 0.46 H new ATOM 0 HG13 ILE B 24 -20.273 -2.179 -5.066 1.00 0.46 H new ATOM 0 HG21 ILE B 24 -22.048 -4.319 -2.594 1.00 0.36 H new ATOM 0 HG22 ILE B 24 -21.636 -3.337 -1.169 1.00 0.36 H new ATOM 0 HG23 ILE B 24 -22.796 -2.720 -2.369 1.00 0.36 H new ATOM 0 HD11 ILE B 24 -21.625 -4.014 -6.051 1.00 0.69 H new ATOM 0 HD12 ILE B 24 -20.486 -4.657 -4.845 1.00 0.69 H new ATOM 0 HD13 ILE B 24 -22.205 -4.463 -4.430 1.00 0.69 H new ATOM 1895 N VAL B 25 -22.002 -0.690 -0.680 1.00 0.27 N ATOM 1896 CA VAL B 25 -23.247 -0.105 -0.110 1.00 0.30 C ATOM 1897 C VAL B 25 -23.185 1.426 -0.197 1.00 0.30 C ATOM 1898 O VAL B 25 -24.167 2.073 -0.499 1.00 0.32 O ATOM 1899 CB VAL B 25 -23.394 -0.530 1.353 1.00 0.33 C ATOM 1900 CG1 VAL B 25 -24.427 0.363 2.043 1.00 0.42 C ATOM 1901 CG2 VAL B 25 -23.859 -1.988 1.415 1.00 0.37 C ATOM 0 H VAL B 25 -21.371 -1.121 -0.004 1.00 0.27 H new ATOM 0 HA VAL B 25 -24.105 -0.465 -0.678 1.00 0.30 H new ATOM 0 HB VAL B 25 -22.433 -0.431 1.858 1.00 0.33 H new ATOM 0 HG11 VAL B 25 -24.532 0.060 3.085 1.00 0.42 H new ATOM 0 HG12 VAL B 25 -24.098 1.401 1.998 1.00 0.42 H new ATOM 0 HG13 VAL B 25 -25.388 0.265 1.538 1.00 0.42 H new ATOM 0 HG21 VAL B 25 -23.964 -2.292 2.456 1.00 0.37 H new ATOM 0 HG22 VAL B 25 -24.820 -2.085 0.910 1.00 0.37 H new ATOM 0 HG23 VAL B 25 -23.124 -2.625 0.923 1.00 0.37 H new ATOM 1911 N LEU B 26 -22.049 2.020 0.072 1.00 0.30 N ATOM 1912 CA LEU B 26 -21.937 3.508 0.010 1.00 0.32 C ATOM 1913 C LEU B 26 -22.084 3.990 -1.439 1.00 0.31 C ATOM 1914 O LEU B 26 -22.789 4.941 -1.729 1.00 0.33 O ATOM 1915 CB LEU B 26 -20.560 3.899 0.547 1.00 0.35 C ATOM 1916 CG LEU B 26 -20.625 4.021 2.070 1.00 0.61 C ATOM 1917 CD1 LEU B 26 -19.265 3.662 2.672 1.00 0.47 C ATOM 1918 CD2 LEU B 26 -20.992 5.457 2.453 1.00 1.15 C ATOM 0 H LEU B 26 -21.191 1.535 0.333 1.00 0.30 H new ATOM 0 HA LEU B 26 -22.725 3.968 0.606 1.00 0.32 H new ATOM 0 HB2 LEU B 26 -19.820 3.151 0.262 1.00 0.35 H new ATOM 0 HB3 LEU B 26 -20.242 4.845 0.109 1.00 0.35 H new ATOM 0 HG LEU B 26 -21.382 3.338 2.456 1.00 0.61 H new ATOM 0 HD11 LEU B 26 -19.313 3.749 3.757 1.00 0.47 H new ATOM 0 HD12 LEU B 26 -19.006 2.638 2.402 1.00 0.47 H new ATOM 0 HD13 LEU B 26 -18.505 4.342 2.286 1.00 0.47 H new ATOM 0 HD21 LEU B 26 -21.038 5.544 3.539 1.00 1.15 H new ATOM 0 HD22 LEU B 26 -20.237 6.141 2.066 1.00 1.15 H new ATOM 0 HD23 LEU B 26 -21.963 5.710 2.027 1.00 1.15 H new ATOM 1930 N PHE B 27 -21.437 3.331 -2.354 1.00 0.29 N ATOM 1931 CA PHE B 27 -21.568 3.740 -3.779 1.00 0.31 C ATOM 1932 C PHE B 27 -23.051 3.687 -4.127 1.00 0.32 C ATOM 1933 O PHE B 27 -23.554 4.440 -4.938 1.00 0.34 O ATOM 1934 CB PHE B 27 -20.787 2.774 -4.668 1.00 0.32 C ATOM 1935 CG PHE B 27 -21.401 2.749 -6.046 1.00 0.42 C ATOM 1936 CD1 PHE B 27 -21.288 3.866 -6.882 1.00 1.18 C ATOM 1937 CD2 PHE B 27 -22.084 1.609 -6.490 1.00 1.37 C ATOM 1938 CE1 PHE B 27 -21.858 3.845 -8.161 1.00 1.22 C ATOM 1939 CE2 PHE B 27 -22.654 1.587 -7.768 1.00 1.46 C ATOM 1940 CZ PHE B 27 -22.541 2.705 -8.604 1.00 0.70 C ATOM 0 H PHE B 27 -20.827 2.532 -2.181 1.00 0.29 H new ATOM 0 HA PHE B 27 -21.170 4.743 -3.936 1.00 0.31 H new ATOM 0 HB2 PHE B 27 -19.743 3.082 -4.729 1.00 0.32 H new ATOM 0 HB3 PHE B 27 -20.799 1.774 -4.235 1.00 0.32 H new ATOM 0 HD1 PHE B 27 -20.761 4.745 -6.540 1.00 1.18 H new ATOM 0 HD2 PHE B 27 -22.171 0.747 -5.846 1.00 1.37 H new ATOM 0 HE1 PHE B 27 -21.771 4.707 -8.805 1.00 1.22 H new ATOM 0 HE2 PHE B 27 -23.181 0.708 -8.109 1.00 1.46 H new ATOM 0 HZ PHE B 27 -22.981 2.688 -9.590 1.00 0.70 H new ATOM 1950 N ASN B 28 -23.744 2.795 -3.486 1.00 0.31 N ATOM 1951 CA ASN B 28 -25.205 2.657 -3.722 1.00 0.34 C ATOM 1952 C ASN B 28 -25.894 3.985 -3.402 1.00 0.35 C ATOM 1953 O ASN B 28 -26.959 4.278 -3.909 1.00 0.36 O ATOM 1954 CB ASN B 28 -25.770 1.565 -2.818 1.00 0.36 C ATOM 1955 CG ASN B 28 -26.700 0.663 -3.631 1.00 0.43 C ATOM 1956 OD1 ASN B 28 -26.283 -0.359 -4.138 1.00 1.17 O ATOM 1957 ND2 ASN B 28 -27.952 1.000 -3.777 1.00 0.97 N ATOM 0 H ASN B 28 -23.357 2.147 -2.800 1.00 0.31 H new ATOM 0 HA ASN B 28 -25.381 2.391 -4.764 1.00 0.34 H new ATOM 0 HB2 ASN B 28 -24.959 0.977 -2.389 1.00 0.36 H new ATOM 0 HB3 ASN B 28 -26.314 2.012 -1.986 1.00 0.36 H new ATOM 0 HD21 ASN B 28 -28.581 0.405 -4.317 1.00 0.97 H new ATOM 0 HD22 ASN B 28 -28.302 1.858 -3.351 1.00 0.97 H new ATOM 1964 N GLN B 29 -25.293 4.798 -2.572 1.00 0.35 N ATOM 1965 CA GLN B 29 -25.916 6.108 -2.233 1.00 0.38 C ATOM 1966 C GLN B 29 -25.376 7.179 -3.178 1.00 0.39 C ATOM 1967 O GLN B 29 -25.780 8.325 -3.129 1.00 0.44 O ATOM 1968 CB GLN B 29 -25.571 6.485 -0.792 1.00 0.39 C ATOM 1969 CG GLN B 29 -25.914 5.319 0.136 1.00 0.39 C ATOM 1970 CD GLN B 29 -25.592 5.704 1.581 1.00 0.42 C ATOM 1971 OE1 GLN B 29 -24.631 5.085 2.209 1.00 1.12 O flip ATOM 1972 NE2 GLN B 29 -26.222 6.577 2.144 1.00 1.17 N flip ATOM 0 H GLN B 29 -24.400 4.610 -2.116 1.00 0.35 H new ATOM 0 HA GLN B 29 -26.998 6.034 -2.337 1.00 0.38 H new ATOM 0 HB2 GLN B 29 -24.511 6.728 -0.712 1.00 0.39 H new ATOM 0 HB3 GLN B 29 -26.125 7.375 -0.495 1.00 0.39 H new ATOM 0 HG2 GLN B 29 -26.970 5.065 0.043 1.00 0.39 H new ATOM 0 HG3 GLN B 29 -25.347 4.433 -0.151 1.00 0.39 H new ATOM 0 HE21 GLN B 29 -26.974 7.061 1.653 1.00 1.17 H new ATOM 0 HE22 GLN B 29 -25.999 6.826 3.108 1.00 1.17 H new ATOM 1981 N GLY B 30 -24.458 6.811 -4.031 1.00 0.35 N ATOM 1982 CA GLY B 30 -23.870 7.794 -4.984 1.00 0.38 C ATOM 1983 C GLY B 30 -22.448 8.139 -4.541 1.00 0.34 C ATOM 1984 O GLY B 30 -21.861 9.098 -5.002 1.00 0.36 O ATOM 0 H GLY B 30 -24.088 5.864 -4.108 1.00 0.35 H new ATOM 0 HA2 GLY B 30 -23.859 7.379 -5.992 1.00 0.38 H new ATOM 0 HA3 GLY B 30 -24.482 8.696 -5.018 1.00 0.38 H new ATOM 1988 N ILE B 31 -21.882 7.363 -3.652 1.00 0.31 N ATOM 1989 CA ILE B 31 -20.495 7.661 -3.197 1.00 0.29 C ATOM 1990 C ILE B 31 -19.522 7.197 -4.275 1.00 0.26 C ATOM 1991 O ILE B 31 -19.316 6.018 -4.481 1.00 0.25 O ATOM 1992 CB ILE B 31 -20.233 6.942 -1.868 1.00 0.29 C ATOM 1993 CG1 ILE B 31 -21.242 7.435 -0.808 1.00 0.41 C ATOM 1994 CG2 ILE B 31 -18.806 7.219 -1.386 1.00 0.31 C ATOM 1995 CD1 ILE B 31 -21.193 8.964 -0.664 1.00 0.59 C ATOM 0 H ILE B 31 -22.317 6.544 -3.226 1.00 0.31 H new ATOM 0 HA ILE B 31 -20.361 8.731 -3.037 1.00 0.29 H new ATOM 0 HB ILE B 31 -20.352 5.869 -2.017 1.00 0.29 H new ATOM 0 HG12 ILE B 31 -22.249 7.125 -1.089 1.00 0.41 H new ATOM 0 HG13 ILE B 31 -21.021 6.969 0.152 1.00 0.41 H new ATOM 0 HG21 ILE B 31 -18.634 6.702 -0.442 1.00 0.31 H new ATOM 0 HG22 ILE B 31 -18.095 6.861 -2.130 1.00 0.31 H new ATOM 0 HG23 ILE B 31 -18.672 8.291 -1.243 1.00 0.31 H new ATOM 0 HD11 ILE B 31 -21.914 9.282 0.089 1.00 0.59 H new ATOM 0 HD12 ILE B 31 -20.192 9.269 -0.359 1.00 0.59 H new ATOM 0 HD13 ILE B 31 -21.438 9.427 -1.620 1.00 0.59 H new ATOM 2007 N ASP B 32 -18.927 8.126 -4.975 1.00 0.27 N ATOM 2008 CA ASP B 32 -17.977 7.753 -6.051 1.00 0.27 C ATOM 2009 C ASP B 32 -16.544 7.662 -5.524 1.00 0.27 C ATOM 2010 O ASP B 32 -15.774 6.834 -5.972 1.00 0.29 O ATOM 2011 CB ASP B 32 -18.039 8.799 -7.165 1.00 0.29 C ATOM 2012 CG ASP B 32 -19.485 8.958 -7.637 1.00 0.66 C ATOM 2013 OD1 ASP B 32 -20.203 7.973 -7.625 1.00 1.46 O ATOM 2014 OD2 ASP B 32 -19.849 10.065 -8.003 1.00 1.25 O ATOM 0 H ASP B 32 -19.062 9.129 -4.844 1.00 0.27 H new ATOM 0 HA ASP B 32 -18.263 6.773 -6.433 1.00 0.27 H new ATOM 0 HB2 ASP B 32 -17.656 9.754 -6.804 1.00 0.29 H new ATOM 0 HB3 ASP B 32 -17.405 8.496 -7.998 1.00 0.29 H new ATOM 2019 N GLU B 33 -16.167 8.528 -4.609 1.00 0.27 N ATOM 2020 CA GLU B 33 -14.770 8.511 -4.095 1.00 0.28 C ATOM 2021 C GLU B 33 -14.713 7.956 -2.678 1.00 0.26 C ATOM 2022 O GLU B 33 -15.533 8.270 -1.840 1.00 0.28 O ATOM 2023 CB GLU B 33 -14.193 9.924 -4.104 1.00 0.30 C ATOM 2024 CG GLU B 33 -13.436 10.145 -5.416 1.00 0.60 C ATOM 2025 CD GLU B 33 -13.292 11.643 -5.684 1.00 0.49 C ATOM 2026 OE1 GLU B 33 -12.803 12.336 -4.809 1.00 1.08 O ATOM 2027 OE2 GLU B 33 -13.672 12.069 -6.762 1.00 1.20 O ATOM 0 H GLU B 33 -16.770 9.242 -4.201 1.00 0.27 H new ATOM 0 HA GLU B 33 -14.181 7.866 -4.747 1.00 0.28 H new ATOM 0 HB2 GLU B 33 -14.993 10.658 -4.003 1.00 0.30 H new ATOM 0 HB3 GLU B 33 -13.523 10.063 -3.255 1.00 0.30 H new ATOM 0 HG2 GLU B 33 -12.452 9.680 -5.362 1.00 0.60 H new ATOM 0 HG3 GLU B 33 -13.969 9.668 -6.239 1.00 0.60 H new ATOM 2034 N VAL B 34 -13.755 7.113 -2.422 1.00 0.25 N ATOM 2035 CA VAL B 34 -13.648 6.506 -1.064 1.00 0.24 C ATOM 2036 C VAL B 34 -12.181 6.277 -0.673 1.00 0.24 C ATOM 2037 O VAL B 34 -11.338 5.979 -1.504 1.00 0.33 O ATOM 2038 CB VAL B 34 -14.393 5.170 -1.073 1.00 0.24 C ATOM 2039 CG1 VAL B 34 -13.682 4.202 -2.020 1.00 0.49 C ATOM 2040 CG2 VAL B 34 -14.415 4.575 0.338 1.00 0.35 C ATOM 0 H VAL B 34 -13.043 6.817 -3.090 1.00 0.25 H new ATOM 0 HA VAL B 34 -14.086 7.186 -0.333 1.00 0.24 H new ATOM 0 HB VAL B 34 -15.417 5.332 -1.409 1.00 0.24 H new ATOM 0 HG11 VAL B 34 -14.210 3.248 -2.029 1.00 0.49 H new ATOM 0 HG12 VAL B 34 -13.671 4.620 -3.027 1.00 0.49 H new ATOM 0 HG13 VAL B 34 -12.658 4.047 -1.680 1.00 0.49 H new ATOM 0 HG21 VAL B 34 -14.947 3.624 0.324 1.00 0.35 H new ATOM 0 HG22 VAL B 34 -13.393 4.414 0.681 1.00 0.35 H new ATOM 0 HG23 VAL B 34 -14.921 5.263 1.015 1.00 0.35 H new ATOM 2050 N ILE B 35 -11.885 6.435 0.604 1.00 0.20 N ATOM 2051 CA ILE B 35 -10.487 6.246 1.106 1.00 0.21 C ATOM 2052 C ILE B 35 -10.440 5.122 2.152 1.00 0.21 C ATOM 2053 O ILE B 35 -11.079 5.193 3.183 1.00 0.23 O ATOM 2054 CB ILE B 35 -9.996 7.552 1.734 1.00 0.25 C ATOM 2055 CG1 ILE B 35 -10.709 8.733 1.069 1.00 0.26 C ATOM 2056 CG2 ILE B 35 -8.486 7.683 1.525 1.00 0.31 C ATOM 2057 CD1 ILE B 35 -9.875 10.005 1.245 1.00 0.31 C ATOM 0 H ILE B 35 -12.563 6.689 1.322 1.00 0.20 H new ATOM 0 HA ILE B 35 -9.843 5.972 0.270 1.00 0.21 H new ATOM 0 HB ILE B 35 -10.214 7.548 2.802 1.00 0.25 H new ATOM 0 HG12 ILE B 35 -10.860 8.529 0.009 1.00 0.26 H new ATOM 0 HG13 ILE B 35 -11.696 8.870 1.511 1.00 0.26 H new ATOM 0 HG21 ILE B 35 -8.136 8.613 1.972 1.00 0.31 H new ATOM 0 HG22 ILE B 35 -7.979 6.841 1.996 1.00 0.31 H new ATOM 0 HG23 ILE B 35 -8.266 7.688 0.458 1.00 0.31 H new ATOM 0 HD11 ILE B 35 -10.385 10.843 0.771 1.00 0.31 H new ATOM 0 HD12 ILE B 35 -9.747 10.212 2.307 1.00 0.31 H new ATOM 0 HD13 ILE B 35 -8.898 9.866 0.782 1.00 0.31 H new ATOM 2069 N LEU B 36 -9.684 4.081 1.889 1.00 0.23 N ATOM 2070 CA LEU B 36 -9.592 2.947 2.863 1.00 0.26 C ATOM 2071 C LEU B 36 -8.374 3.106 3.772 1.00 0.24 C ATOM 2072 O LEU B 36 -7.251 3.161 3.309 1.00 0.26 O ATOM 2073 CB LEU B 36 -9.456 1.624 2.117 1.00 0.30 C ATOM 2074 CG LEU B 36 -10.768 0.849 2.229 1.00 0.40 C ATOM 2075 CD1 LEU B 36 -11.905 1.683 1.638 1.00 0.46 C ATOM 2076 CD2 LEU B 36 -10.646 -0.464 1.460 1.00 0.48 C ATOM 0 H LEU B 36 -9.127 3.968 1.042 1.00 0.23 H new ATOM 0 HA LEU B 36 -10.502 2.954 3.464 1.00 0.26 H new ATOM 0 HB2 LEU B 36 -9.215 1.806 1.070 1.00 0.30 H new ATOM 0 HB3 LEU B 36 -8.637 1.039 2.535 1.00 0.30 H new ATOM 0 HG LEU B 36 -10.980 0.639 3.277 1.00 0.40 H new ATOM 0 HD11 LEU B 36 -12.841 1.130 1.718 1.00 0.46 H new ATOM 0 HD12 LEU B 36 -11.990 2.622 2.185 1.00 0.46 H new ATOM 0 HD13 LEU B 36 -11.695 1.892 0.589 1.00 0.46 H new ATOM 0 HD21 LEU B 36 -11.581 -1.019 1.538 1.00 0.48 H new ATOM 0 HD22 LEU B 36 -10.435 -0.253 0.411 1.00 0.48 H new ATOM 0 HD23 LEU B 36 -9.835 -1.058 1.881 1.00 0.48 H new ATOM 2088 N LYS B 37 -8.584 3.156 5.060 1.00 0.23 N ATOM 2089 CA LYS B 37 -7.441 3.285 6.006 1.00 0.23 C ATOM 2090 C LYS B 37 -7.156 1.917 6.650 1.00 0.21 C ATOM 2091 O LYS B 37 -8.040 1.295 7.203 1.00 0.20 O ATOM 2092 CB LYS B 37 -7.820 4.298 7.078 1.00 0.29 C ATOM 2093 CG LYS B 37 -8.702 5.388 6.456 1.00 1.26 C ATOM 2094 CD LYS B 37 -8.608 6.675 7.283 1.00 1.50 C ATOM 2095 CE LYS B 37 -7.591 7.623 6.642 1.00 2.39 C ATOM 2096 NZ LYS B 37 -8.173 8.219 5.405 1.00 2.74 N ATOM 0 H LYS B 37 -9.504 3.113 5.499 1.00 0.23 H new ATOM 0 HA LYS B 37 -6.546 3.619 5.481 1.00 0.23 H new ATOM 0 HB2 LYS B 37 -8.352 3.803 7.890 1.00 0.29 H new ATOM 0 HB3 LYS B 37 -6.923 4.742 7.509 1.00 0.29 H new ATOM 0 HG2 LYS B 37 -8.387 5.581 5.431 1.00 1.26 H new ATOM 0 HG3 LYS B 37 -9.737 5.049 6.413 1.00 1.26 H new ATOM 0 HD2 LYS B 37 -9.585 7.156 7.338 1.00 1.50 H new ATOM 0 HD3 LYS B 37 -8.309 6.442 8.305 1.00 1.50 H new ATOM 0 HE2 LYS B 37 -7.320 8.411 7.345 1.00 2.39 H new ATOM 0 HE3 LYS B 37 -6.676 7.082 6.401 1.00 2.39 H new ATOM 0 HZ1 LYS B 37 -7.688 9.113 5.189 1.00 2.74 H new ATOM 0 HZ2 LYS B 37 -8.052 7.558 4.611 1.00 2.74 H new ATOM 0 HZ3 LYS B 37 -9.186 8.402 5.551 1.00 2.74 H new ATOM 2110 N GLY B 38 -5.936 1.435 6.570 1.00 0.21 N ATOM 2111 CA GLY B 38 -5.632 0.089 7.176 1.00 0.22 C ATOM 2112 C GLY B 38 -4.225 0.038 7.781 1.00 0.22 C ATOM 2113 O GLY B 38 -3.361 0.813 7.432 1.00 0.24 O ATOM 0 H GLY B 38 -5.148 1.902 6.121 1.00 0.21 H new ATOM 0 HA2 GLY B 38 -6.367 -0.136 7.949 1.00 0.22 H new ATOM 0 HA3 GLY B 38 -5.727 -0.683 6.412 1.00 0.22 H new ATOM 2117 N THR B 39 -4.010 -0.866 8.721 1.00 0.22 N ATOM 2118 CA THR B 39 -2.668 -0.953 9.390 1.00 0.25 C ATOM 2119 C THR B 39 -2.234 -2.390 9.693 1.00 0.23 C ATOM 2120 O THR B 39 -3.034 -3.260 9.957 1.00 0.20 O ATOM 2121 CB THR B 39 -2.717 -0.214 10.725 1.00 0.28 C ATOM 2122 OG1 THR B 39 -3.887 -0.601 11.430 1.00 0.29 O ATOM 2123 CG2 THR B 39 -2.732 1.292 10.501 1.00 0.49 C ATOM 0 H THR B 39 -4.702 -1.540 9.049 1.00 0.22 H new ATOM 0 HA THR B 39 -1.955 -0.513 8.693 1.00 0.25 H new ATOM 0 HB THR B 39 -1.831 -0.471 11.305 1.00 0.28 H new ATOM 0 HG1 THR B 39 -3.922 -0.130 12.289 1.00 0.29 H new ATOM 0 HG21 THR B 39 -2.767 1.803 11.463 1.00 0.49 H new ATOM 0 HG22 THR B 39 -1.831 1.589 9.965 1.00 0.49 H new ATOM 0 HG23 THR B 39 -3.609 1.564 9.914 1.00 0.49 H new ATOM 2131 N GLY B 40 -0.936 -2.606 9.681 1.00 0.25 N ATOM 2132 CA GLY B 40 -0.348 -3.948 9.991 1.00 0.26 C ATOM 2133 C GLY B 40 -1.251 -5.072 9.495 1.00 0.25 C ATOM 2134 O GLY B 40 -1.068 -5.598 8.422 1.00 0.28 O ATOM 0 H GLY B 40 -0.245 -1.888 9.463 1.00 0.25 H new ATOM 0 HA2 GLY B 40 0.634 -4.034 9.526 1.00 0.26 H new ATOM 0 HA3 GLY B 40 -0.201 -4.044 11.067 1.00 0.26 H new ATOM 2138 N ARG B 41 -2.211 -5.456 10.283 1.00 0.23 N ATOM 2139 CA ARG B 41 -3.120 -6.558 9.863 1.00 0.24 C ATOM 2140 C ARG B 41 -4.190 -6.000 8.931 1.00 0.22 C ATOM 2141 O ARG B 41 -4.399 -6.503 7.844 1.00 0.26 O ATOM 2142 CB ARG B 41 -3.786 -7.187 11.088 1.00 0.24 C ATOM 2143 CG ARG B 41 -3.804 -6.181 12.242 1.00 0.61 C ATOM 2144 CD ARG B 41 -2.431 -6.100 12.928 1.00 0.94 C ATOM 2145 NE ARG B 41 -1.402 -6.832 12.135 1.00 1.74 N ATOM 2146 CZ ARG B 41 -0.197 -6.982 12.614 1.00 2.19 C ATOM 2147 NH1 ARG B 41 0.105 -6.491 13.785 1.00 2.10 N ATOM 2148 NH2 ARG B 41 0.706 -7.621 11.923 1.00 3.16 N ATOM 0 H ARG B 41 -2.407 -5.056 11.200 1.00 0.23 H new ATOM 0 HA ARG B 41 -2.541 -7.322 9.344 1.00 0.24 H new ATOM 0 HB2 ARG B 41 -4.803 -7.492 10.844 1.00 0.24 H new ATOM 0 HB3 ARG B 41 -3.246 -8.086 11.385 1.00 0.24 H new ATOM 0 HG2 ARG B 41 -4.085 -5.197 11.866 1.00 0.61 H new ATOM 0 HG3 ARG B 41 -4.561 -6.472 12.970 1.00 0.61 H new ATOM 0 HD2 ARG B 41 -2.136 -5.057 13.041 1.00 0.94 H new ATOM 0 HD3 ARG B 41 -2.494 -6.524 13.930 1.00 0.94 H new ATOM 0 HE ARG B 41 -1.639 -7.215 11.220 1.00 1.74 H new ATOM 0 HH11 ARG B 41 -0.600 -5.990 14.325 1.00 2.10 H new ATOM 0 HH12 ARG B 41 1.046 -6.608 14.160 1.00 2.10 H new ATOM 0 HH21 ARG B 41 0.471 -8.004 11.007 1.00 3.16 H new ATOM 0 HH22 ARG B 41 1.647 -7.738 12.298 1.00 3.16 H new ATOM 2162 N GLU B 42 -4.882 -4.975 9.342 1.00 0.18 N ATOM 2163 CA GLU B 42 -5.942 -4.417 8.465 1.00 0.17 C ATOM 2164 C GLU B 42 -5.290 -3.940 7.172 1.00 0.18 C ATOM 2165 O GLU B 42 -5.944 -3.750 6.167 1.00 0.19 O ATOM 2166 CB GLU B 42 -6.668 -3.237 9.142 1.00 0.16 C ATOM 2167 CG GLU B 42 -6.082 -2.923 10.530 1.00 0.16 C ATOM 2168 CD GLU B 42 -7.021 -1.969 11.270 1.00 0.63 C ATOM 2169 OE1 GLU B 42 -7.418 -0.981 10.676 1.00 1.29 O ATOM 2170 OE2 GLU B 42 -7.330 -2.244 12.418 1.00 1.38 O ATOM 0 H GLU B 42 -4.760 -4.505 10.239 1.00 0.18 H new ATOM 0 HA GLU B 42 -6.682 -5.192 8.265 1.00 0.17 H new ATOM 0 HB2 GLU B 42 -6.594 -2.353 8.508 1.00 0.16 H new ATOM 0 HB3 GLU B 42 -7.728 -3.471 9.240 1.00 0.16 H new ATOM 0 HG2 GLU B 42 -5.956 -3.843 11.101 1.00 0.16 H new ATOM 0 HG3 GLU B 42 -5.094 -2.473 10.427 1.00 0.16 H new ATOM 2177 N ILE B 43 -3.998 -3.757 7.186 1.00 0.19 N ATOM 2178 CA ILE B 43 -3.281 -3.309 5.963 1.00 0.23 C ATOM 2179 C ILE B 43 -3.610 -4.238 4.778 1.00 0.26 C ATOM 2180 O ILE B 43 -3.698 -3.807 3.647 1.00 0.30 O ATOM 2181 CB ILE B 43 -1.770 -3.356 6.267 1.00 0.30 C ATOM 2182 CG1 ILE B 43 -1.010 -2.284 5.477 1.00 0.34 C ATOM 2183 CG2 ILE B 43 -1.207 -4.734 5.917 1.00 0.39 C ATOM 2184 CD1 ILE B 43 -1.328 -2.390 3.987 1.00 0.85 C ATOM 0 H ILE B 43 -3.404 -3.901 8.003 1.00 0.19 H new ATOM 0 HA ILE B 43 -3.588 -2.299 5.692 1.00 0.23 H new ATOM 0 HB ILE B 43 -1.639 -3.162 7.332 1.00 0.30 H new ATOM 0 HG12 ILE B 43 -1.281 -1.294 5.843 1.00 0.34 H new ATOM 0 HG13 ILE B 43 0.062 -2.400 5.635 1.00 0.34 H new ATOM 0 HG21 ILE B 43 -0.139 -4.757 6.135 1.00 0.39 H new ATOM 0 HG22 ILE B 43 -1.715 -5.496 6.509 1.00 0.39 H new ATOM 0 HG23 ILE B 43 -1.365 -4.933 4.857 1.00 0.39 H new ATOM 0 HD11 ILE B 43 -0.780 -1.621 3.442 1.00 0.85 H new ATOM 0 HD12 ILE B 43 -1.034 -3.374 3.621 1.00 0.85 H new ATOM 0 HD13 ILE B 43 -2.398 -2.251 3.833 1.00 0.85 H new ATOM 2196 N SER B 44 -3.778 -5.509 5.022 1.00 0.27 N ATOM 2197 CA SER B 44 -4.077 -6.452 3.908 1.00 0.31 C ATOM 2198 C SER B 44 -5.564 -6.406 3.606 1.00 0.30 C ATOM 2199 O SER B 44 -5.996 -6.669 2.499 1.00 0.32 O ATOM 2200 CB SER B 44 -3.677 -7.871 4.315 1.00 0.36 C ATOM 2201 OG SER B 44 -3.459 -7.911 5.719 1.00 1.12 O ATOM 0 H SER B 44 -3.721 -5.935 5.947 1.00 0.27 H new ATOM 0 HA SER B 44 -3.514 -6.164 3.020 1.00 0.31 H new ATOM 0 HB2 SER B 44 -4.460 -8.576 4.036 1.00 0.36 H new ATOM 0 HB3 SER B 44 -2.773 -8.173 3.786 1.00 0.36 H new ATOM 0 HG SER B 44 -3.204 -8.819 5.985 1.00 1.12 H new ATOM 2207 N LYS B 45 -6.350 -6.031 4.568 1.00 0.26 N ATOM 2208 CA LYS B 45 -7.800 -5.922 4.306 1.00 0.26 C ATOM 2209 C LYS B 45 -7.981 -4.779 3.309 1.00 0.25 C ATOM 2210 O LYS B 45 -8.355 -4.986 2.172 1.00 0.27 O ATOM 2211 CB LYS B 45 -8.546 -5.636 5.611 1.00 0.26 C ATOM 2212 CG LYS B 45 -8.727 -6.940 6.395 1.00 0.40 C ATOM 2213 CD LYS B 45 -7.390 -7.684 6.488 1.00 0.91 C ATOM 2214 CE LYS B 45 -7.485 -8.772 7.559 1.00 0.81 C ATOM 2215 NZ LYS B 45 -6.550 -9.883 7.222 1.00 1.87 N ATOM 0 H LYS B 45 -6.053 -5.798 5.515 1.00 0.26 H new ATOM 0 HA LYS B 45 -8.204 -6.849 3.900 1.00 0.26 H new ATOM 0 HB2 LYS B 45 -7.990 -4.914 6.209 1.00 0.26 H new ATOM 0 HB3 LYS B 45 -9.518 -5.191 5.396 1.00 0.26 H new ATOM 0 HG2 LYS B 45 -9.103 -6.724 7.395 1.00 0.40 H new ATOM 0 HG3 LYS B 45 -9.470 -7.569 5.904 1.00 0.40 H new ATOM 0 HD2 LYS B 45 -7.141 -8.128 5.524 1.00 0.91 H new ATOM 0 HD3 LYS B 45 -6.590 -6.986 6.733 1.00 0.91 H new ATOM 0 HE2 LYS B 45 -7.238 -8.358 8.536 1.00 0.81 H new ATOM 0 HE3 LYS B 45 -8.506 -9.148 7.621 1.00 0.81 H new ATOM 0 HZ1 LYS B 45 -6.614 -10.623 7.950 1.00 1.87 H new ATOM 0 HZ2 LYS B 45 -6.806 -10.284 6.297 1.00 1.87 H new ATOM 0 HZ3 LYS B 45 -5.577 -9.518 7.184 1.00 1.87 H new ATOM 2229 N ALA B 46 -7.723 -3.576 3.751 1.00 0.22 N ATOM 2230 CA ALA B 46 -7.873 -2.377 2.866 1.00 0.21 C ATOM 2231 C ALA B 46 -7.452 -2.709 1.428 1.00 0.19 C ATOM 2232 O ALA B 46 -8.163 -2.422 0.484 1.00 0.22 O ATOM 2233 CB ALA B 46 -6.992 -1.244 3.396 1.00 0.26 C ATOM 0 H ALA B 46 -7.411 -3.368 4.699 1.00 0.22 H new ATOM 0 HA ALA B 46 -8.920 -2.073 2.866 1.00 0.21 H new ATOM 0 HB1 ALA B 46 -7.099 -0.370 2.754 1.00 0.26 H new ATOM 0 HB2 ALA B 46 -7.298 -0.989 4.411 1.00 0.26 H new ATOM 0 HB3 ALA B 46 -5.950 -1.565 3.401 1.00 0.26 H new ATOM 2239 N VAL B 47 -6.307 -3.310 1.251 1.00 0.18 N ATOM 2240 CA VAL B 47 -5.851 -3.658 -0.128 1.00 0.18 C ATOM 2241 C VAL B 47 -6.766 -4.728 -0.721 1.00 0.18 C ATOM 2242 O VAL B 47 -7.458 -4.494 -1.692 1.00 0.19 O ATOM 2243 CB VAL B 47 -4.418 -4.199 -0.094 1.00 0.24 C ATOM 2244 CG1 VAL B 47 -4.034 -4.673 -1.498 1.00 0.28 C ATOM 2245 CG2 VAL B 47 -3.454 -3.095 0.356 1.00 0.27 C ATOM 0 H VAL B 47 -5.667 -3.575 2.000 1.00 0.18 H new ATOM 0 HA VAL B 47 -5.885 -2.757 -0.740 1.00 0.18 H new ATOM 0 HB VAL B 47 -4.357 -5.030 0.609 1.00 0.24 H new ATOM 0 HG11 VAL B 47 -3.015 -5.060 -1.485 1.00 0.28 H new ATOM 0 HG12 VAL B 47 -4.718 -5.460 -1.816 1.00 0.28 H new ATOM 0 HG13 VAL B 47 -4.095 -3.836 -2.194 1.00 0.28 H new ATOM 0 HG21 VAL B 47 -2.437 -3.487 0.378 1.00 0.27 H new ATOM 0 HG22 VAL B 47 -3.506 -2.260 -0.342 1.00 0.27 H new ATOM 0 HG23 VAL B 47 -3.733 -2.753 1.353 1.00 0.27 H new ATOM 2255 N ASP B 48 -6.773 -5.903 -0.147 1.00 0.20 N ATOM 2256 CA ASP B 48 -7.644 -6.988 -0.680 1.00 0.23 C ATOM 2257 C ASP B 48 -9.032 -6.413 -0.929 1.00 0.26 C ATOM 2258 O ASP B 48 -9.609 -6.586 -1.983 1.00 0.30 O ATOM 2259 CB ASP B 48 -7.733 -8.125 0.340 1.00 0.24 C ATOM 2260 CG ASP B 48 -8.039 -9.439 -0.384 1.00 0.41 C ATOM 2261 OD1 ASP B 48 -9.174 -9.616 -0.795 1.00 1.08 O ATOM 2262 OD2 ASP B 48 -7.133 -10.245 -0.513 1.00 1.25 O ATOM 0 H ASP B 48 -6.213 -6.156 0.667 1.00 0.20 H new ATOM 0 HA ASP B 48 -7.229 -7.379 -1.609 1.00 0.23 H new ATOM 0 HB2 ASP B 48 -6.795 -8.210 0.888 1.00 0.24 H new ATOM 0 HB3 ASP B 48 -8.512 -7.911 1.072 1.00 0.24 H new ATOM 2267 N VAL B 49 -9.561 -5.719 0.041 1.00 0.26 N ATOM 2268 CA VAL B 49 -10.905 -5.111 -0.130 1.00 0.32 C ATOM 2269 C VAL B 49 -10.955 -4.431 -1.492 1.00 0.31 C ATOM 2270 O VAL B 49 -11.841 -4.673 -2.283 1.00 0.31 O ATOM 2271 CB VAL B 49 -11.158 -4.061 0.954 1.00 0.39 C ATOM 2272 CG1 VAL B 49 -12.347 -3.186 0.546 1.00 1.06 C ATOM 2273 CG2 VAL B 49 -11.478 -4.757 2.274 1.00 0.96 C ATOM 0 H VAL B 49 -9.118 -5.548 0.944 1.00 0.26 H new ATOM 0 HA VAL B 49 -11.665 -5.889 -0.054 1.00 0.32 H new ATOM 0 HB VAL B 49 -10.269 -3.442 1.073 1.00 0.39 H new ATOM 0 HG11 VAL B 49 -12.529 -2.437 1.317 1.00 1.06 H new ATOM 0 HG12 VAL B 49 -12.126 -2.688 -0.398 1.00 1.06 H new ATOM 0 HG13 VAL B 49 -13.234 -3.809 0.429 1.00 1.06 H new ATOM 0 HG21 VAL B 49 -11.658 -4.009 3.046 1.00 0.96 H new ATOM 0 HG22 VAL B 49 -12.368 -5.375 2.153 1.00 0.96 H new ATOM 0 HG23 VAL B 49 -10.637 -5.385 2.567 1.00 0.96 H new ATOM 2283 N TYR B 50 -10.010 -3.575 -1.771 1.00 0.33 N ATOM 2284 CA TYR B 50 -10.007 -2.869 -3.078 1.00 0.36 C ATOM 2285 C TYR B 50 -9.755 -3.857 -4.211 1.00 0.32 C ATOM 2286 O TYR B 50 -10.572 -3.991 -5.100 1.00 0.32 O ATOM 2287 CB TYR B 50 -8.919 -1.799 -3.072 1.00 0.43 C ATOM 2288 CG TYR B 50 -8.310 -1.656 -4.452 1.00 1.19 C ATOM 2289 CD1 TYR B 50 -9.133 -1.490 -5.575 1.00 1.93 C ATOM 2290 CD2 TYR B 50 -6.919 -1.678 -4.604 1.00 2.17 C ATOM 2291 CE1 TYR B 50 -8.564 -1.351 -6.846 1.00 2.76 C ATOM 2292 CE2 TYR B 50 -6.352 -1.536 -5.876 1.00 3.03 C ATOM 2293 CZ TYR B 50 -7.173 -1.373 -6.996 1.00 3.13 C ATOM 2294 OH TYR B 50 -6.613 -1.234 -8.250 1.00 4.11 O ATOM 0 H TYR B 50 -9.239 -3.336 -1.147 1.00 0.33 H new ATOM 0 HA TYR B 50 -10.979 -2.401 -3.234 1.00 0.36 H new ATOM 0 HB2 TYR B 50 -9.340 -0.845 -2.753 1.00 0.43 H new ATOM 0 HB3 TYR B 50 -8.145 -2.063 -2.352 1.00 0.43 H new ATOM 0 HD1 TYR B 50 -10.207 -1.469 -5.459 1.00 1.93 H new ATOM 0 HD2 TYR B 50 -6.283 -1.804 -3.740 1.00 2.17 H new ATOM 0 HE1 TYR B 50 -9.199 -1.227 -7.711 1.00 2.76 H new ATOM 0 HE2 TYR B 50 -5.278 -1.552 -5.992 1.00 3.03 H new ATOM 0 HH TYR B 50 -5.636 -1.270 -8.178 1.00 4.11 H new ATOM 2304 N ASN B 51 -8.632 -4.535 -4.210 1.00 0.32 N ATOM 2305 CA ASN B 51 -8.362 -5.492 -5.317 1.00 0.30 C ATOM 2306 C ASN B 51 -9.623 -6.314 -5.566 1.00 0.29 C ATOM 2307 O ASN B 51 -10.088 -6.443 -6.681 1.00 0.30 O ATOM 2308 CB ASN B 51 -7.216 -6.420 -4.929 1.00 0.31 C ATOM 2309 CG ASN B 51 -7.094 -7.531 -5.973 1.00 0.65 C ATOM 2310 OD1 ASN B 51 -6.154 -7.560 -6.741 1.00 1.41 O ATOM 2311 ND2 ASN B 51 -8.016 -8.452 -6.038 1.00 1.19 N ATOM 0 H ASN B 51 -7.903 -4.466 -3.500 1.00 0.32 H new ATOM 0 HA ASN B 51 -8.085 -4.947 -6.219 1.00 0.30 H new ATOM 0 HB2 ASN B 51 -6.283 -5.859 -4.866 1.00 0.31 H new ATOM 0 HB3 ASN B 51 -7.397 -6.849 -3.943 1.00 0.31 H new ATOM 0 HD21 ASN B 51 -7.946 -9.195 -6.733 1.00 1.19 H new ATOM 0 HD22 ASN B 51 -8.806 -8.429 -5.393 1.00 1.19 H new ATOM 2318 N SER B 52 -10.174 -6.872 -4.528 1.00 0.29 N ATOM 2319 CA SER B 52 -11.400 -7.687 -4.706 1.00 0.31 C ATOM 2320 C SER B 52 -12.554 -6.796 -5.186 1.00 0.29 C ATOM 2321 O SER B 52 -13.396 -7.224 -5.948 1.00 0.33 O ATOM 2322 CB SER B 52 -11.804 -8.351 -3.398 1.00 0.34 C ATOM 2323 OG SER B 52 -10.640 -8.774 -2.700 1.00 0.65 O ATOM 0 H SER B 52 -9.830 -6.799 -3.570 1.00 0.29 H new ATOM 0 HA SER B 52 -11.188 -8.458 -5.447 1.00 0.31 H new ATOM 0 HB2 SER B 52 -12.375 -7.653 -2.785 1.00 0.34 H new ATOM 0 HB3 SER B 52 -12.452 -9.205 -3.596 1.00 0.34 H new ATOM 0 HG SER B 52 -10.377 -8.085 -2.055 1.00 0.65 H new ATOM 2329 N LEU B 53 -12.610 -5.562 -4.741 1.00 0.27 N ATOM 2330 CA LEU B 53 -13.713 -4.656 -5.165 1.00 0.27 C ATOM 2331 C LEU B 53 -13.546 -4.286 -6.644 1.00 0.27 C ATOM 2332 O LEU B 53 -14.508 -4.003 -7.333 1.00 0.30 O ATOM 2333 CB LEU B 53 -13.673 -3.375 -4.319 1.00 0.27 C ATOM 2334 CG LEU B 53 -14.888 -2.482 -4.621 1.00 0.32 C ATOM 2335 CD1 LEU B 53 -16.106 -2.936 -3.811 1.00 0.53 C ATOM 2336 CD2 LEU B 53 -14.548 -1.038 -4.253 1.00 0.38 C ATOM 0 H LEU B 53 -11.934 -5.147 -4.100 1.00 0.27 H new ATOM 0 HA LEU B 53 -14.667 -5.165 -5.025 1.00 0.27 H new ATOM 0 HB2 LEU B 53 -13.660 -3.634 -3.260 1.00 0.27 H new ATOM 0 HB3 LEU B 53 -12.753 -2.827 -4.524 1.00 0.27 H new ATOM 0 HG LEU B 53 -15.127 -2.556 -5.682 1.00 0.32 H new ATOM 0 HD11 LEU B 53 -16.955 -2.292 -4.039 1.00 0.53 H new ATOM 0 HD12 LEU B 53 -16.352 -3.966 -4.070 1.00 0.53 H new ATOM 0 HD13 LEU B 53 -15.879 -2.874 -2.747 1.00 0.53 H new ATOM 0 HD21 LEU B 53 -15.404 -0.397 -4.464 1.00 0.38 H new ATOM 0 HD22 LEU B 53 -14.305 -0.981 -3.192 1.00 0.38 H new ATOM 0 HD23 LEU B 53 -13.692 -0.705 -4.840 1.00 0.38 H new ATOM 2348 N LYS B 54 -12.357 -4.351 -7.176 1.00 0.28 N ATOM 2349 CA LYS B 54 -12.202 -4.036 -8.620 1.00 0.32 C ATOM 2350 C LYS B 54 -12.585 -5.294 -9.385 1.00 0.34 C ATOM 2351 O LYS B 54 -13.095 -5.255 -10.488 1.00 0.36 O ATOM 2352 CB LYS B 54 -10.752 -3.564 -8.888 1.00 0.34 C ATOM 2353 CG LYS B 54 -9.872 -4.643 -9.544 1.00 0.96 C ATOM 2354 CD LYS B 54 -10.027 -4.589 -11.069 1.00 0.49 C ATOM 2355 CE LYS B 54 -9.206 -3.427 -11.651 1.00 0.49 C ATOM 2356 NZ LYS B 54 -8.002 -3.966 -12.345 1.00 0.99 N ATOM 0 H LYS B 54 -11.501 -4.604 -6.682 1.00 0.28 H new ATOM 0 HA LYS B 54 -12.847 -3.221 -8.948 1.00 0.32 H new ATOM 0 HB2 LYS B 54 -10.777 -2.685 -9.531 1.00 0.34 H new ATOM 0 HB3 LYS B 54 -10.297 -3.257 -7.946 1.00 0.34 H new ATOM 0 HG2 LYS B 54 -8.828 -4.489 -9.270 1.00 0.96 H new ATOM 0 HG3 LYS B 54 -10.156 -5.629 -9.176 1.00 0.96 H new ATOM 0 HD2 LYS B 54 -9.698 -5.531 -11.508 1.00 0.49 H new ATOM 0 HD3 LYS B 54 -11.078 -4.466 -11.330 1.00 0.49 H new ATOM 0 HE2 LYS B 54 -9.814 -2.852 -12.349 1.00 0.49 H new ATOM 0 HE3 LYS B 54 -8.905 -2.746 -10.855 1.00 0.49 H new ATOM 0 HZ1 LYS B 54 -7.447 -3.179 -12.739 1.00 0.99 H new ATOM 0 HZ2 LYS B 54 -7.419 -4.496 -11.667 1.00 0.99 H new ATOM 0 HZ3 LYS B 54 -8.299 -4.599 -13.115 1.00 0.99 H new ATOM 2370 N ASP B 55 -12.384 -6.411 -8.752 1.00 0.41 N ATOM 2371 CA ASP B 55 -12.765 -7.711 -9.352 1.00 0.47 C ATOM 2372 C ASP B 55 -14.249 -7.670 -9.653 1.00 0.47 C ATOM 2373 O ASP B 55 -14.783 -8.488 -10.377 1.00 0.52 O ATOM 2374 CB ASP B 55 -12.517 -8.798 -8.313 1.00 0.51 C ATOM 2375 CG ASP B 55 -11.670 -9.920 -8.913 1.00 0.66 C ATOM 2376 OD1 ASP B 55 -11.863 -10.225 -10.078 1.00 1.46 O ATOM 2377 OD2 ASP B 55 -10.846 -10.462 -8.195 1.00 1.23 O ATOM 0 H ASP B 55 -11.963 -6.477 -7.825 1.00 0.41 H new ATOM 0 HA ASP B 55 -12.193 -7.906 -10.259 1.00 0.47 H new ATOM 0 HB2 ASP B 55 -12.010 -8.374 -7.446 1.00 0.51 H new ATOM 0 HB3 ASP B 55 -13.468 -9.199 -7.961 1.00 0.51 H new ATOM 2382 N ARG B 56 -14.925 -6.730 -9.063 1.00 0.42 N ATOM 2383 CA ARG B 56 -16.386 -6.628 -9.261 1.00 0.44 C ATOM 2384 C ARG B 56 -16.687 -5.981 -10.605 1.00 0.43 C ATOM 2385 O ARG B 56 -17.601 -6.382 -11.296 1.00 0.51 O ATOM 2386 CB ARG B 56 -16.981 -5.786 -8.134 1.00 0.54 C ATOM 2387 CG ARG B 56 -16.394 -6.236 -6.787 1.00 0.50 C ATOM 2388 CD ARG B 56 -16.883 -7.644 -6.434 1.00 0.64 C ATOM 2389 NE ARG B 56 -18.369 -7.710 -6.561 1.00 1.01 N ATOM 2390 CZ ARG B 56 -18.959 -8.843 -6.841 1.00 1.27 C ATOM 2391 NH1 ARG B 56 -18.253 -9.926 -7.032 1.00 1.51 N ATOM 2392 NH2 ARG B 56 -20.260 -8.893 -6.929 1.00 1.71 N ATOM 0 H ARG B 56 -14.522 -6.024 -8.448 1.00 0.42 H new ATOM 0 HA ARG B 56 -16.827 -7.625 -9.248 1.00 0.44 H new ATOM 0 HB2 ARG B 56 -16.765 -4.731 -8.302 1.00 0.54 H new ATOM 0 HB3 ARG B 56 -18.066 -5.891 -8.122 1.00 0.54 H new ATOM 0 HG2 ARG B 56 -15.305 -6.224 -6.836 1.00 0.50 H new ATOM 0 HG3 ARG B 56 -16.686 -5.536 -6.004 1.00 0.50 H new ATOM 0 HD2 ARG B 56 -16.419 -8.376 -7.095 1.00 0.64 H new ATOM 0 HD3 ARG B 56 -16.584 -7.898 -5.417 1.00 0.64 H new ATOM 0 HE ARG B 56 -18.927 -6.867 -6.429 1.00 1.01 H new ATOM 0 HH11 ARG B 56 -17.236 -9.891 -6.963 1.00 1.51 H new ATOM 0 HH12 ARG B 56 -18.719 -10.807 -7.250 1.00 1.51 H new ATOM 0 HH21 ARG B 56 -20.814 -8.050 -6.780 1.00 1.71 H new ATOM 0 HH22 ARG B 56 -20.723 -9.775 -7.147 1.00 1.71 H new ATOM 2406 N LEU B 57 -15.943 -4.980 -10.988 1.00 0.41 N ATOM 2407 CA LEU B 57 -16.242 -4.339 -12.293 1.00 0.48 C ATOM 2408 C LEU B 57 -15.007 -3.683 -12.908 1.00 0.43 C ATOM 2409 O LEU B 57 -14.942 -3.535 -14.111 1.00 0.44 O ATOM 2410 CB LEU B 57 -17.332 -3.284 -12.100 1.00 0.58 C ATOM 2411 CG LEU B 57 -18.183 -3.195 -13.368 1.00 1.20 C ATOM 2412 CD1 LEU B 57 -19.282 -4.257 -13.324 1.00 1.70 C ATOM 2413 CD2 LEU B 57 -18.820 -1.807 -13.451 1.00 1.77 C ATOM 0 H LEU B 57 -15.159 -4.587 -10.466 1.00 0.41 H new ATOM 0 HA LEU B 57 -16.579 -5.118 -12.976 1.00 0.48 H new ATOM 0 HB2 LEU B 57 -17.958 -3.544 -11.246 1.00 0.58 H new ATOM 0 HB3 LEU B 57 -16.882 -2.316 -11.882 1.00 0.58 H new ATOM 0 HG LEU B 57 -17.553 -3.363 -14.242 1.00 1.20 H new ATOM 0 HD11 LEU B 57 -19.887 -4.192 -14.228 1.00 1.70 H new ATOM 0 HD12 LEU B 57 -18.829 -5.247 -13.261 1.00 1.70 H new ATOM 0 HD13 LEU B 57 -19.914 -4.091 -12.452 1.00 1.70 H new ATOM 0 HD21 LEU B 57 -19.428 -1.739 -14.353 1.00 1.77 H new ATOM 0 HD22 LEU B 57 -19.449 -1.643 -12.576 1.00 1.77 H new ATOM 0 HD23 LEU B 57 -18.037 -1.049 -13.482 1.00 1.77 H new ATOM 2425 N GLY B 58 -14.022 -3.299 -12.135 1.00 0.39 N ATOM 2426 CA GLY B 58 -12.819 -2.662 -12.745 1.00 0.36 C ATOM 2427 C GLY B 58 -13.207 -1.335 -13.398 1.00 0.35 C ATOM 2428 O GLY B 58 -12.717 -0.283 -13.037 1.00 0.35 O ATOM 0 H GLY B 58 -13.999 -3.398 -11.120 1.00 0.39 H new ATOM 0 HA2 GLY B 58 -12.060 -2.493 -11.981 1.00 0.36 H new ATOM 0 HA3 GLY B 58 -12.381 -3.329 -13.488 1.00 0.36 H new ATOM 2432 N ASP B 59 -14.078 -1.380 -14.363 1.00 0.40 N ATOM 2433 CA ASP B 59 -14.499 -0.136 -15.057 1.00 0.44 C ATOM 2434 C ASP B 59 -15.295 0.744 -14.100 1.00 0.38 C ATOM 2435 O ASP B 59 -15.173 1.948 -14.114 1.00 0.40 O ATOM 2436 CB ASP B 59 -15.372 -0.503 -16.257 1.00 0.53 C ATOM 2437 CG ASP B 59 -14.753 0.066 -17.536 1.00 0.63 C ATOM 2438 OD1 ASP B 59 -14.524 1.263 -17.578 1.00 1.11 O ATOM 2439 OD2 ASP B 59 -14.520 -0.706 -18.451 1.00 1.40 O ATOM 0 H ASP B 59 -14.520 -2.234 -14.704 1.00 0.40 H new ATOM 0 HA ASP B 59 -13.617 0.409 -15.395 1.00 0.44 H new ATOM 0 HB2 ASP B 59 -15.463 -1.586 -16.336 1.00 0.53 H new ATOM 0 HB3 ASP B 59 -16.379 -0.108 -16.121 1.00 0.53 H new ATOM 2444 N GLY B 60 -16.104 0.160 -13.264 1.00 0.34 N ATOM 2445 CA GLY B 60 -16.901 0.978 -12.313 1.00 0.31 C ATOM 2446 C GLY B 60 -16.123 1.151 -11.013 1.00 0.29 C ATOM 2447 O GLY B 60 -16.696 1.310 -9.958 1.00 0.28 O ATOM 0 H GLY B 60 -16.248 -0.848 -13.198 1.00 0.34 H new ATOM 0 HA2 GLY B 60 -17.120 1.952 -12.750 1.00 0.31 H new ATOM 0 HA3 GLY B 60 -17.858 0.495 -12.115 1.00 0.31 H new ATOM 2451 N VAL B 61 -14.820 1.123 -11.077 1.00 0.29 N ATOM 2452 CA VAL B 61 -14.007 1.288 -9.839 1.00 0.28 C ATOM 2453 C VAL B 61 -12.602 1.746 -10.230 1.00 0.30 C ATOM 2454 O VAL B 61 -11.743 0.944 -10.537 1.00 0.46 O ATOM 2455 CB VAL B 61 -13.904 -0.058 -9.116 1.00 0.30 C ATOM 2456 CG1 VAL B 61 -12.846 0.039 -8.019 1.00 0.44 C ATOM 2457 CG2 VAL B 61 -15.253 -0.429 -8.490 1.00 0.39 C ATOM 0 H VAL B 61 -14.283 0.993 -11.934 1.00 0.29 H new ATOM 0 HA VAL B 61 -14.476 2.023 -9.185 1.00 0.28 H new ATOM 0 HB VAL B 61 -13.624 -0.828 -9.835 1.00 0.30 H new ATOM 0 HG11 VAL B 61 -12.770 -0.917 -7.502 1.00 0.44 H new ATOM 0 HG12 VAL B 61 -11.883 0.289 -8.464 1.00 0.44 H new ATOM 0 HG13 VAL B 61 -13.130 0.815 -7.308 1.00 0.44 H new ATOM 0 HG21 VAL B 61 -15.166 -1.388 -7.979 1.00 0.39 H new ATOM 0 HG22 VAL B 61 -15.545 0.339 -7.773 1.00 0.39 H new ATOM 0 HG23 VAL B 61 -16.009 -0.502 -9.272 1.00 0.39 H new ATOM 2467 N GLN B 62 -12.368 3.028 -10.254 1.00 0.28 N ATOM 2468 CA GLN B 62 -11.036 3.548 -10.659 1.00 0.30 C ATOM 2469 C GLN B 62 -10.151 3.868 -9.451 1.00 0.29 C ATOM 2470 O GLN B 62 -10.611 4.065 -8.345 1.00 0.27 O ATOM 2471 CB GLN B 62 -11.258 4.835 -11.442 1.00 0.31 C ATOM 2472 CG GLN B 62 -10.793 4.657 -12.884 1.00 0.41 C ATOM 2473 CD GLN B 62 -9.267 4.552 -12.925 1.00 0.56 C ATOM 2474 OE1 GLN B 62 -8.720 3.467 -12.891 1.00 1.26 O ATOM 2475 NE2 GLN B 62 -8.552 5.641 -12.995 1.00 1.42 N ATOM 0 H GLN B 62 -13.051 3.744 -10.007 1.00 0.28 H new ATOM 0 HA GLN B 62 -10.533 2.784 -11.252 1.00 0.30 H new ATOM 0 HB2 GLN B 62 -12.314 5.104 -11.423 1.00 0.31 H new ATOM 0 HB3 GLN B 62 -10.712 5.654 -10.974 1.00 0.31 H new ATOM 0 HG2 GLN B 62 -11.240 3.760 -13.312 1.00 0.41 H new ATOM 0 HG3 GLN B 62 -11.126 5.500 -13.490 1.00 0.41 H new ATOM 0 HE21 GLN B 62 -9.011 6.551 -13.024 1.00 1.42 H new ATOM 0 HE22 GLN B 62 -7.534 5.582 -13.021 1.00 1.42 H new ATOM 2484 N LEU B 63 -8.874 3.967 -9.698 1.00 0.33 N ATOM 2485 CA LEU B 63 -7.897 4.325 -8.629 1.00 0.33 C ATOM 2486 C LEU B 63 -7.617 5.828 -8.724 1.00 0.34 C ATOM 2487 O LEU B 63 -7.180 6.307 -9.752 1.00 0.39 O ATOM 2488 CB LEU B 63 -6.597 3.543 -8.850 1.00 0.36 C ATOM 2489 CG LEU B 63 -5.619 3.792 -7.694 1.00 0.36 C ATOM 2490 CD1 LEU B 63 -4.940 2.474 -7.312 1.00 0.54 C ATOM 2491 CD2 LEU B 63 -4.553 4.799 -8.135 1.00 0.52 C ATOM 0 H LEU B 63 -8.457 3.811 -10.616 1.00 0.33 H new ATOM 0 HA LEU B 63 -8.298 4.079 -7.646 1.00 0.33 H new ATOM 0 HB2 LEU B 63 -6.815 2.478 -8.927 1.00 0.36 H new ATOM 0 HB3 LEU B 63 -6.140 3.844 -9.793 1.00 0.36 H new ATOM 0 HG LEU B 63 -6.163 4.188 -6.836 1.00 0.36 H new ATOM 0 HD11 LEU B 63 -4.244 2.648 -6.491 1.00 0.54 H new ATOM 0 HD12 LEU B 63 -5.695 1.752 -7.001 1.00 0.54 H new ATOM 0 HD13 LEU B 63 -4.396 2.082 -8.172 1.00 0.54 H new ATOM 0 HD21 LEU B 63 -3.858 4.976 -7.314 1.00 0.52 H new ATOM 0 HD22 LEU B 63 -4.009 4.401 -8.992 1.00 0.52 H new ATOM 0 HD23 LEU B 63 -5.032 5.738 -8.414 1.00 0.52 H new ATOM 2503 N VAL B 64 -7.873 6.578 -7.679 1.00 0.33 N ATOM 2504 CA VAL B 64 -7.625 8.056 -7.741 1.00 0.37 C ATOM 2505 C VAL B 64 -6.431 8.444 -6.872 1.00 0.36 C ATOM 2506 O VAL B 64 -5.872 9.510 -7.035 1.00 0.41 O ATOM 2507 CB VAL B 64 -8.847 8.828 -7.245 1.00 0.41 C ATOM 2508 CG1 VAL B 64 -9.561 9.476 -8.432 1.00 1.08 C ATOM 2509 CG2 VAL B 64 -9.796 7.880 -6.513 1.00 1.43 C ATOM 0 H VAL B 64 -8.240 6.235 -6.791 1.00 0.33 H new ATOM 0 HA VAL B 64 -7.421 8.308 -8.782 1.00 0.37 H new ATOM 0 HB VAL B 64 -8.527 9.608 -6.554 1.00 0.41 H new ATOM 0 HG11 VAL B 64 -10.432 10.026 -8.076 1.00 1.08 H new ATOM 0 HG12 VAL B 64 -8.880 10.162 -8.936 1.00 1.08 H new ATOM 0 HG13 VAL B 64 -9.881 8.703 -9.131 1.00 1.08 H new ATOM 0 HG21 VAL B 64 -10.665 8.435 -6.161 1.00 1.43 H new ATOM 0 HG22 VAL B 64 -10.119 7.092 -7.193 1.00 1.43 H new ATOM 0 HG23 VAL B 64 -9.281 7.435 -5.661 1.00 1.43 H new ATOM 2519 N ASN B 65 -6.022 7.615 -5.950 1.00 0.32 N ATOM 2520 CA ASN B 65 -4.858 8.004 -5.107 1.00 0.34 C ATOM 2521 C ASN B 65 -4.528 6.881 -4.126 1.00 0.30 C ATOM 2522 O ASN B 65 -5.383 6.107 -3.749 1.00 0.28 O ATOM 2523 CB ASN B 65 -5.218 9.265 -4.335 1.00 0.36 C ATOM 2524 CG ASN B 65 -4.429 10.452 -4.892 1.00 0.48 C ATOM 2525 OD1 ASN B 65 -3.215 10.430 -4.923 1.00 1.28 O ATOM 2526 ND2 ASN B 65 -5.073 11.497 -5.338 1.00 1.09 N ATOM 0 H ASN B 65 -6.434 6.704 -5.747 1.00 0.32 H new ATOM 0 HA ASN B 65 -3.989 8.186 -5.739 1.00 0.34 H new ATOM 0 HB2 ASN B 65 -6.288 9.458 -4.413 1.00 0.36 H new ATOM 0 HB3 ASN B 65 -4.995 9.132 -3.277 1.00 0.36 H new ATOM 0 HD21 ASN B 65 -4.556 12.293 -5.712 1.00 1.09 H new ATOM 0 HD22 ASN B 65 -6.092 11.517 -5.313 1.00 1.09 H new ATOM 2533 N VAL B 66 -3.292 6.797 -3.705 1.00 0.29 N ATOM 2534 CA VAL B 66 -2.886 5.730 -2.745 1.00 0.26 C ATOM 2535 C VAL B 66 -1.613 6.169 -2.026 1.00 0.27 C ATOM 2536 O VAL B 66 -0.694 6.686 -2.631 1.00 0.31 O ATOM 2537 CB VAL B 66 -2.589 4.428 -3.497 1.00 0.30 C ATOM 2538 CG1 VAL B 66 -2.058 3.382 -2.513 1.00 0.90 C ATOM 2539 CG2 VAL B 66 -3.861 3.891 -4.148 1.00 0.66 C ATOM 0 H VAL B 66 -2.542 7.427 -3.988 1.00 0.29 H new ATOM 0 HA VAL B 66 -3.696 5.566 -2.034 1.00 0.26 H new ATOM 0 HB VAL B 66 -1.846 4.630 -4.269 1.00 0.30 H new ATOM 0 HG11 VAL B 66 -1.846 2.455 -3.046 1.00 0.90 H new ATOM 0 HG12 VAL B 66 -1.143 3.751 -2.049 1.00 0.90 H new ATOM 0 HG13 VAL B 66 -2.806 3.194 -1.743 1.00 0.90 H new ATOM 0 HG21 VAL B 66 -3.636 2.966 -4.679 1.00 0.66 H new ATOM 0 HG22 VAL B 66 -4.608 3.695 -3.379 1.00 0.66 H new ATOM 0 HG23 VAL B 66 -4.249 4.628 -4.852 1.00 0.66 H new ATOM 2549 N GLN B 67 -1.552 5.966 -0.739 1.00 0.25 N ATOM 2550 CA GLN B 67 -0.334 6.374 0.009 1.00 0.28 C ATOM 2551 C GLN B 67 -0.074 5.425 1.171 1.00 0.25 C ATOM 2552 O GLN B 67 -0.918 4.650 1.577 1.00 0.23 O ATOM 2553 CB GLN B 67 -0.513 7.791 0.555 1.00 0.29 C ATOM 2554 CG GLN B 67 0.790 8.262 1.214 1.00 0.37 C ATOM 2555 CD GLN B 67 0.789 9.788 1.317 1.00 0.64 C ATOM 2556 OE1 GLN B 67 1.158 10.472 0.383 1.00 1.11 O ATOM 2557 NE2 GLN B 67 0.384 10.355 2.421 1.00 1.44 N ATOM 0 H GLN B 67 -2.288 5.538 -0.178 1.00 0.25 H new ATOM 0 HA GLN B 67 0.514 6.342 -0.675 1.00 0.28 H new ATOM 0 HB2 GLN B 67 -0.789 8.469 -0.252 1.00 0.29 H new ATOM 0 HB3 GLN B 67 -1.326 7.811 1.280 1.00 0.29 H new ATOM 0 HG2 GLN B 67 0.888 7.820 2.206 1.00 0.37 H new ATOM 0 HG3 GLN B 67 1.647 7.927 0.629 1.00 0.37 H new ATOM 0 HE21 GLN B 67 0.074 9.781 3.205 1.00 1.44 H new ATOM 0 HE22 GLN B 67 0.377 11.372 2.499 1.00 1.44 H new ATOM 2566 N THR B 68 1.108 5.498 1.697 1.00 0.26 N ATOM 2567 CA THR B 68 1.487 4.626 2.834 1.00 0.26 C ATOM 2568 C THR B 68 2.371 5.423 3.776 1.00 0.25 C ATOM 2569 O THR B 68 2.972 6.406 3.394 1.00 0.33 O ATOM 2570 CB THR B 68 2.233 3.395 2.311 1.00 0.33 C ATOM 2571 OG1 THR B 68 2.831 3.700 1.058 1.00 0.42 O ATOM 2572 CG2 THR B 68 1.243 2.243 2.141 1.00 0.45 C ATOM 0 H THR B 68 1.840 6.135 1.383 1.00 0.26 H new ATOM 0 HA THR B 68 0.598 4.288 3.367 1.00 0.26 H new ATOM 0 HB THR B 68 3.010 3.107 3.019 1.00 0.33 H new ATOM 0 HG1 THR B 68 2.366 3.212 0.346 1.00 0.42 H new ATOM 0 HG21 THR B 68 1.769 1.364 1.769 1.00 0.45 H new ATOM 0 HG22 THR B 68 0.785 2.012 3.103 1.00 0.45 H new ATOM 0 HG23 THR B 68 0.468 2.531 1.430 1.00 0.45 H new ATOM 2580 N GLY B 69 2.459 5.016 5.006 1.00 0.24 N ATOM 2581 CA GLY B 69 3.301 5.744 5.984 1.00 0.28 C ATOM 2582 C GLY B 69 3.244 4.958 7.292 1.00 0.26 C ATOM 2583 O GLY B 69 2.259 4.306 7.578 1.00 0.29 O ATOM 0 H GLY B 69 1.976 4.199 5.380 1.00 0.24 H new ATOM 0 HA2 GLY B 69 4.327 5.823 5.626 1.00 0.28 H new ATOM 0 HA3 GLY B 69 2.934 6.760 6.128 1.00 0.28 H new ATOM 2587 N SER B 70 4.259 5.025 8.102 1.00 0.24 N ATOM 2588 CA SER B 70 4.221 4.296 9.395 1.00 0.25 C ATOM 2589 C SER B 70 3.701 5.243 10.470 1.00 0.29 C ATOM 2590 O SER B 70 3.732 6.448 10.314 1.00 0.31 O ATOM 2591 CB SER B 70 5.623 3.813 9.760 1.00 0.27 C ATOM 2592 OG SER B 70 6.388 4.908 10.246 1.00 0.39 O ATOM 0 H SER B 70 5.113 5.553 7.925 1.00 0.24 H new ATOM 0 HA SER B 70 3.565 3.429 9.315 1.00 0.25 H new ATOM 0 HB2 SER B 70 5.565 3.031 10.517 1.00 0.27 H new ATOM 0 HB3 SER B 70 6.108 3.376 8.887 1.00 0.27 H new ATOM 0 HG SER B 70 7.310 4.617 10.406 1.00 0.39 H new ATOM 2598 N GLU B 71 3.223 4.722 11.563 1.00 0.32 N ATOM 2599 CA GLU B 71 2.711 5.621 12.630 1.00 0.39 C ATOM 2600 C GLU B 71 2.691 4.893 13.957 1.00 0.40 C ATOM 2601 O GLU B 71 2.953 3.714 14.032 1.00 0.37 O ATOM 2602 CB GLU B 71 1.302 6.067 12.285 1.00 0.40 C ATOM 2603 CG GLU B 71 0.401 4.849 12.111 1.00 0.49 C ATOM 2604 CD GLU B 71 -0.674 4.847 13.198 1.00 0.68 C ATOM 2605 OE1 GLU B 71 -0.417 4.294 14.253 1.00 1.49 O ATOM 2606 OE2 GLU B 71 -1.735 5.398 12.956 1.00 1.26 O ATOM 0 H GLU B 71 3.165 3.723 11.763 1.00 0.32 H new ATOM 0 HA GLU B 71 3.366 6.489 12.705 1.00 0.39 H new ATOM 0 HB2 GLU B 71 0.911 6.710 13.074 1.00 0.40 H new ATOM 0 HB3 GLU B 71 1.312 6.657 11.369 1.00 0.40 H new ATOM 0 HG2 GLU B 71 -0.064 4.866 11.125 1.00 0.49 H new ATOM 0 HG3 GLU B 71 0.992 3.935 12.169 1.00 0.49 H new ATOM 2613 N VAL B 72 2.367 5.589 15.006 1.00 0.45 N ATOM 2614 CA VAL B 72 2.327 4.939 16.336 1.00 0.49 C ATOM 2615 C VAL B 72 0.930 4.392 16.603 1.00 0.52 C ATOM 2616 O VAL B 72 -0.061 5.078 16.451 1.00 0.71 O ATOM 2617 CB VAL B 72 2.699 5.947 17.423 1.00 0.59 C ATOM 2618 CG1 VAL B 72 3.818 5.369 18.291 1.00 0.56 C ATOM 2619 CG2 VAL B 72 3.177 7.249 16.776 1.00 0.87 C ATOM 0 H VAL B 72 2.128 6.581 14.998 1.00 0.45 H new ATOM 0 HA VAL B 72 3.044 4.118 16.349 1.00 0.49 H new ATOM 0 HB VAL B 72 1.825 6.151 18.042 1.00 0.59 H new ATOM 0 HG11 VAL B 72 4.084 6.087 19.067 1.00 0.56 H new ATOM 0 HG12 VAL B 72 3.477 4.443 18.755 1.00 0.56 H new ATOM 0 HG13 VAL B 72 4.691 5.164 17.671 1.00 0.56 H new ATOM 0 HG21 VAL B 72 3.442 7.966 17.553 1.00 0.87 H new ATOM 0 HG22 VAL B 72 4.050 7.048 16.156 1.00 0.87 H new ATOM 0 HG23 VAL B 72 2.380 7.662 16.158 1.00 0.87 H new ATOM 2629 N ARG B 73 0.849 3.159 17.009 1.00 0.47 N ATOM 2630 CA ARG B 73 -0.474 2.553 17.298 1.00 0.50 C ATOM 2631 C ARG B 73 -0.319 1.531 18.422 1.00 0.54 C ATOM 2632 O ARG B 73 0.195 0.450 18.220 1.00 0.55 O ATOM 2633 CB ARG B 73 -0.997 1.861 16.039 1.00 0.49 C ATOM 2634 CG ARG B 73 -2.445 2.281 15.775 1.00 0.62 C ATOM 2635 CD ARG B 73 -2.901 1.703 14.436 1.00 0.72 C ATOM 2636 NE ARG B 73 -4.372 1.888 14.292 1.00 0.90 N ATOM 2637 CZ ARG B 73 -4.867 3.083 14.112 1.00 1.40 C ATOM 2638 NH1 ARG B 73 -4.073 4.115 14.048 1.00 2.18 N ATOM 2639 NH2 ARG B 73 -6.157 3.244 13.995 1.00 1.68 N ATOM 0 H ARG B 73 1.648 2.542 17.154 1.00 0.47 H new ATOM 0 HA ARG B 73 -1.179 3.326 17.604 1.00 0.50 H new ATOM 0 HB2 ARG B 73 -0.372 2.122 15.185 1.00 0.49 H new ATOM 0 HB3 ARG B 73 -0.939 0.779 16.158 1.00 0.49 H new ATOM 0 HG2 ARG B 73 -3.091 1.925 16.577 1.00 0.62 H new ATOM 0 HG3 ARG B 73 -2.524 3.368 15.761 1.00 0.62 H new ATOM 0 HD2 ARG B 73 -2.379 2.198 13.617 1.00 0.72 H new ATOM 0 HD3 ARG B 73 -2.649 0.644 14.380 1.00 0.72 H new ATOM 0 HE ARG B 73 -4.993 1.080 14.334 1.00 0.90 H new ATOM 0 HH11 ARG B 73 -3.065 3.989 14.139 1.00 2.18 H new ATOM 0 HH12 ARG B 73 -4.460 5.048 13.907 1.00 2.18 H new ATOM 0 HH21 ARG B 73 -6.778 2.437 14.044 1.00 1.68 H new ATOM 0 HH22 ARG B 73 -6.544 4.177 13.854 1.00 1.68 H new ATOM 2653 N ASP B 74 -0.756 1.884 19.603 1.00 0.59 N ATOM 2654 CA ASP B 74 -0.650 0.969 20.776 1.00 0.65 C ATOM 2655 C ASP B 74 0.749 1.073 21.383 1.00 0.65 C ATOM 2656 O ASP B 74 1.341 0.085 21.771 1.00 0.67 O ATOM 2657 CB ASP B 74 -0.924 -0.474 20.348 1.00 0.66 C ATOM 2658 CG ASP B 74 -1.568 -1.237 21.507 1.00 0.76 C ATOM 2659 OD1 ASP B 74 -2.674 -0.883 21.882 1.00 1.25 O ATOM 2660 OD2 ASP B 74 -0.945 -2.162 22.001 1.00 1.35 O ATOM 0 H ASP B 74 -1.190 2.785 19.806 1.00 0.59 H new ATOM 0 HA ASP B 74 -1.390 1.260 21.521 1.00 0.65 H new ATOM 0 HB2 ASP B 74 -1.582 -0.488 19.479 1.00 0.66 H new ATOM 0 HB3 ASP B 74 0.006 -0.959 20.051 1.00 0.66 H new ATOM 2665 N ARG B 75 1.292 2.264 21.448 1.00 0.64 N ATOM 2666 CA ARG B 75 2.663 2.448 22.016 1.00 0.66 C ATOM 2667 C ARG B 75 3.655 1.647 21.176 1.00 0.60 C ATOM 2668 O ARG B 75 4.664 1.167 21.653 1.00 0.65 O ATOM 2669 CB ARG B 75 2.703 1.989 23.479 1.00 0.75 C ATOM 2670 CG ARG B 75 2.567 3.205 24.396 1.00 0.85 C ATOM 2671 CD ARG B 75 1.314 3.993 24.015 1.00 0.86 C ATOM 2672 NE ARG B 75 0.663 4.518 25.248 1.00 1.19 N ATOM 2673 CZ ARG B 75 -0.115 3.745 25.955 1.00 1.81 C ATOM 2674 NH1 ARG B 75 -0.324 2.512 25.582 1.00 2.57 N ATOM 2675 NH2 ARG B 75 -0.684 4.204 27.037 1.00 2.18 N ATOM 0 H ARG B 75 0.841 3.122 21.130 1.00 0.64 H new ATOM 0 HA ARG B 75 2.932 3.504 21.989 1.00 0.66 H new ATOM 0 HB2 ARG B 75 1.896 1.282 23.672 1.00 0.75 H new ATOM 0 HB3 ARG B 75 3.639 1.469 23.683 1.00 0.75 H new ATOM 0 HG2 ARG B 75 2.506 2.884 25.436 1.00 0.85 H new ATOM 0 HG3 ARG B 75 3.449 3.840 24.309 1.00 0.85 H new ATOM 0 HD2 ARG B 75 1.577 4.816 23.351 1.00 0.86 H new ATOM 0 HD3 ARG B 75 0.621 3.353 23.469 1.00 0.86 H new ATOM 0 HE ARG B 75 0.825 5.482 25.540 1.00 1.19 H new ATOM 0 HH11 ARG B 75 0.121 2.152 24.738 1.00 2.57 H new ATOM 0 HH12 ARG B 75 -0.932 1.908 26.135 1.00 2.57 H new ATOM 0 HH21 ARG B 75 -0.520 5.167 27.330 1.00 2.18 H new ATOM 0 HH22 ARG B 75 -1.292 3.599 27.589 1.00 2.18 H new ATOM 2689 N ARG B 76 3.375 1.528 19.914 1.00 0.50 N ATOM 2690 CA ARG B 76 4.292 0.784 19.012 1.00 0.44 C ATOM 2691 C ARG B 76 4.111 1.293 17.590 1.00 0.40 C ATOM 2692 O ARG B 76 3.064 1.791 17.228 1.00 0.39 O ATOM 2693 CB ARG B 76 3.966 -0.712 19.028 1.00 0.45 C ATOM 2694 CG ARG B 76 4.686 -1.439 20.178 1.00 0.62 C ATOM 2695 CD ARG B 76 5.378 -2.682 19.625 1.00 1.29 C ATOM 2696 NE ARG B 76 6.079 -3.392 20.731 1.00 1.55 N ATOM 2697 CZ ARG B 76 6.355 -4.663 20.624 1.00 2.38 C ATOM 2698 NH1 ARG B 76 6.020 -5.317 19.546 1.00 3.14 N ATOM 2699 NH2 ARG B 76 6.967 -5.280 21.598 1.00 2.85 N ATOM 0 H ARG B 76 2.546 1.916 19.464 1.00 0.50 H new ATOM 0 HA ARG B 76 5.316 0.937 19.354 1.00 0.44 H new ATOM 0 HB2 ARG B 76 2.889 -0.849 19.128 1.00 0.45 H new ATOM 0 HB3 ARG B 76 4.257 -1.158 18.077 1.00 0.45 H new ATOM 0 HG2 ARG B 76 5.417 -0.777 20.643 1.00 0.62 H new ATOM 0 HG3 ARG B 76 3.972 -1.719 20.952 1.00 0.62 H new ATOM 0 HD2 ARG B 76 4.646 -3.343 19.160 1.00 1.29 H new ATOM 0 HD3 ARG B 76 6.091 -2.400 18.850 1.00 1.29 H new ATOM 0 HE ARG B 76 6.344 -2.883 21.574 1.00 1.55 H new ATOM 0 HH11 ARG B 76 5.542 -4.835 18.785 1.00 3.14 H new ATOM 0 HH12 ARG B 76 6.237 -6.310 19.464 1.00 3.14 H new ATOM 0 HH21 ARG B 76 7.229 -4.769 22.441 1.00 2.85 H new ATOM 0 HH22 ARG B 76 7.184 -6.273 21.516 1.00 2.85 H new ATOM 2713 N ARG B 77 5.133 1.191 16.788 1.00 0.38 N ATOM 2714 CA ARG B 77 5.008 1.702 15.399 1.00 0.34 C ATOM 2715 C ARG B 77 4.459 0.628 14.479 1.00 0.30 C ATOM 2716 O ARG B 77 4.832 -0.527 14.547 1.00 0.32 O ATOM 2717 CB ARG B 77 6.350 2.192 14.862 1.00 0.36 C ATOM 2718 CG ARG B 77 6.123 3.480 14.063 1.00 0.47 C ATOM 2719 CD ARG B 77 7.293 3.714 13.113 1.00 0.48 C ATOM 2720 NE ARG B 77 8.564 3.764 13.891 1.00 1.12 N ATOM 2721 CZ ARG B 77 9.702 3.548 13.292 1.00 1.45 C ATOM 2722 NH1 ARG B 77 9.727 3.281 12.015 1.00 1.69 N ATOM 2723 NH2 ARG B 77 10.815 3.597 13.970 1.00 2.39 N ATOM 0 H ARG B 77 6.036 0.782 17.030 1.00 0.38 H new ATOM 0 HA ARG B 77 4.316 2.543 15.426 1.00 0.34 H new ATOM 0 HB2 ARG B 77 7.041 2.375 15.685 1.00 0.36 H new ATOM 0 HB3 ARG B 77 6.804 1.430 14.228 1.00 0.36 H new ATOM 0 HG2 ARG B 77 5.193 3.409 13.498 1.00 0.47 H new ATOM 0 HG3 ARG B 77 6.020 4.326 14.742 1.00 0.47 H new ATOM 0 HD2 ARG B 77 7.339 2.916 12.372 1.00 0.48 H new ATOM 0 HD3 ARG B 77 7.151 4.647 12.568 1.00 0.48 H new ATOM 0 HE ARG B 77 8.543 3.967 14.890 1.00 1.12 H new ATOM 0 HH11 ARG B 77 8.856 3.241 11.485 1.00 1.69 H new ATOM 0 HH12 ARG B 77 10.617 3.112 11.547 1.00 1.69 H new ATOM 0 HH21 ARG B 77 10.795 3.804 14.969 1.00 2.39 H new ATOM 0 HH22 ARG B 77 11.705 3.428 13.502 1.00 2.39 H new ATOM 2737 N ILE B 78 3.545 1.014 13.633 1.00 0.26 N ATOM 2738 CA ILE B 78 2.915 0.046 12.709 1.00 0.23 C ATOM 2739 C ILE B 78 2.761 0.685 11.336 1.00 0.21 C ATOM 2740 O ILE B 78 2.765 1.889 11.189 1.00 0.22 O ATOM 2741 CB ILE B 78 1.517 -0.294 13.256 1.00 0.24 C ATOM 2742 CG1 ILE B 78 1.046 -1.685 12.787 1.00 0.26 C ATOM 2743 CG2 ILE B 78 0.504 0.746 12.778 1.00 0.32 C ATOM 2744 CD1 ILE B 78 0.082 -2.270 13.820 1.00 0.58 C ATOM 0 H ILE B 78 3.207 1.973 13.546 1.00 0.26 H new ATOM 0 HA ILE B 78 3.528 -0.851 12.627 1.00 0.23 H new ATOM 0 HB ILE B 78 1.584 -0.293 14.344 1.00 0.24 H new ATOM 0 HG12 ILE B 78 0.554 -1.607 11.818 1.00 0.26 H new ATOM 0 HG13 ILE B 78 1.903 -2.346 12.657 1.00 0.26 H new ATOM 0 HG21 ILE B 78 -0.483 0.499 13.169 1.00 0.32 H new ATOM 0 HG22 ILE B 78 0.799 1.733 13.135 1.00 0.32 H new ATOM 0 HG23 ILE B 78 0.472 0.749 11.688 1.00 0.32 H new ATOM 0 HD11 ILE B 78 -0.252 -3.254 13.490 1.00 0.58 H new ATOM 0 HD12 ILE B 78 0.590 -2.363 14.780 1.00 0.58 H new ATOM 0 HD13 ILE B 78 -0.780 -1.611 13.927 1.00 0.58 H new ATOM 2756 N SER B 79 2.663 -0.124 10.332 1.00 0.20 N ATOM 2757 CA SER B 79 2.551 0.411 8.957 1.00 0.19 C ATOM 2758 C SER B 79 1.087 0.756 8.706 1.00 0.20 C ATOM 2759 O SER B 79 0.192 0.164 9.268 1.00 0.22 O ATOM 2760 CB SER B 79 3.030 -0.659 7.972 1.00 0.22 C ATOM 2761 OG SER B 79 3.225 -1.873 8.678 1.00 0.61 O ATOM 0 H SER B 79 2.655 -1.141 10.403 1.00 0.20 H new ATOM 0 HA SER B 79 3.163 1.304 8.827 1.00 0.19 H new ATOM 0 HB2 SER B 79 2.296 -0.797 7.178 1.00 0.22 H new ATOM 0 HB3 SER B 79 3.959 -0.345 7.496 1.00 0.22 H new ATOM 0 HG SER B 79 4.156 -1.930 8.979 1.00 0.61 H new ATOM 2767 N TYR B 80 0.862 1.776 7.933 1.00 0.23 N ATOM 2768 CA TYR B 80 -0.527 2.269 7.693 1.00 0.29 C ATOM 2769 C TYR B 80 -0.692 2.587 6.203 1.00 0.29 C ATOM 2770 O TYR B 80 0.218 3.080 5.567 1.00 0.27 O ATOM 2771 CB TYR B 80 -0.664 3.515 8.578 1.00 0.41 C ATOM 2772 CG TYR B 80 -2.094 3.987 8.781 1.00 0.94 C ATOM 2773 CD1 TYR B 80 -2.883 4.376 7.694 1.00 1.63 C ATOM 2774 CD2 TYR B 80 -2.614 4.084 10.084 1.00 1.88 C ATOM 2775 CE1 TYR B 80 -4.182 4.847 7.908 1.00 2.58 C ATOM 2776 CE2 TYR B 80 -3.907 4.558 10.295 1.00 2.80 C ATOM 2777 CZ TYR B 80 -4.693 4.939 9.212 1.00 3.04 C ATOM 2778 OH TYR B 80 -5.969 5.413 9.432 1.00 4.08 O ATOM 0 H TYR B 80 1.590 2.300 7.448 1.00 0.23 H new ATOM 0 HA TYR B 80 -1.300 1.542 7.941 1.00 0.29 H new ATOM 0 HB2 TYR B 80 -0.222 3.304 9.552 1.00 0.41 H new ATOM 0 HB3 TYR B 80 -0.086 4.326 8.135 1.00 0.41 H new ATOM 0 HD1 TYR B 80 -2.489 4.313 6.690 1.00 1.63 H new ATOM 0 HD2 TYR B 80 -2.007 3.789 10.927 1.00 1.88 H new ATOM 0 HE1 TYR B 80 -4.794 5.141 7.068 1.00 2.58 H new ATOM 0 HE2 TYR B 80 -4.299 4.630 11.299 1.00 2.80 H new ATOM 0 HH TYR B 80 -6.159 5.408 10.393 1.00 4.08 H new ATOM 2788 N ILE B 81 -1.834 2.253 5.630 1.00 0.31 N ATOM 2789 CA ILE B 81 -2.043 2.477 4.161 1.00 0.32 C ATOM 2790 C ILE B 81 -3.261 3.358 3.850 1.00 0.31 C ATOM 2791 O ILE B 81 -4.350 3.156 4.357 1.00 0.31 O ATOM 2792 CB ILE B 81 -2.248 1.115 3.475 1.00 0.35 C ATOM 2793 CG1 ILE B 81 -2.540 1.327 1.987 1.00 0.70 C ATOM 2794 CG2 ILE B 81 -3.425 0.351 4.111 1.00 0.90 C ATOM 2795 CD1 ILE B 81 -2.386 -0.002 1.243 1.00 0.69 C ATOM 0 H ILE B 81 -2.626 1.836 6.119 1.00 0.31 H new ATOM 0 HA ILE B 81 -1.158 2.994 3.790 1.00 0.32 H new ATOM 0 HB ILE B 81 -1.337 0.530 3.601 1.00 0.35 H new ATOM 0 HG12 ILE B 81 -3.550 1.715 1.855 1.00 0.70 H new ATOM 0 HG13 ILE B 81 -1.857 2.069 1.573 1.00 0.70 H new ATOM 0 HG21 ILE B 81 -3.550 -0.608 3.609 1.00 0.90 H new ATOM 0 HG22 ILE B 81 -3.221 0.183 5.169 1.00 0.90 H new ATOM 0 HG23 ILE B 81 -4.338 0.937 4.006 1.00 0.90 H new ATOM 0 HD11 ILE B 81 -2.594 0.148 0.184 1.00 0.69 H new ATOM 0 HD12 ILE B 81 -1.368 -0.371 1.364 1.00 0.69 H new ATOM 0 HD13 ILE B 81 -3.087 -0.730 1.651 1.00 0.69 H new ATOM 2807 N LEU B 82 -3.081 4.335 2.998 1.00 0.30 N ATOM 2808 CA LEU B 82 -4.209 5.214 2.597 1.00 0.29 C ATOM 2809 C LEU B 82 -4.536 4.846 1.148 1.00 0.27 C ATOM 2810 O LEU B 82 -3.769 5.144 0.257 1.00 0.30 O ATOM 2811 CB LEU B 82 -3.782 6.689 2.667 1.00 0.31 C ATOM 2812 CG LEU B 82 -2.659 6.885 3.698 1.00 0.33 C ATOM 2813 CD1 LEU B 82 -2.196 8.345 3.680 1.00 0.34 C ATOM 2814 CD2 LEU B 82 -3.181 6.554 5.100 1.00 0.37 C ATOM 0 H LEU B 82 -2.187 4.560 2.561 1.00 0.30 H new ATOM 0 HA LEU B 82 -5.068 5.081 3.255 1.00 0.29 H new ATOM 0 HB2 LEU B 82 -3.443 7.021 1.686 1.00 0.31 H new ATOM 0 HB3 LEU B 82 -4.639 7.308 2.934 1.00 0.31 H new ATOM 0 HG LEU B 82 -1.828 6.226 3.447 1.00 0.33 H new ATOM 0 HD11 LEU B 82 -1.400 8.483 4.411 1.00 0.34 H new ATOM 0 HD12 LEU B 82 -1.824 8.597 2.687 1.00 0.34 H new ATOM 0 HD13 LEU B 82 -3.034 8.996 3.929 1.00 0.34 H new ATOM 0 HD21 LEU B 82 -2.382 6.694 5.828 1.00 0.37 H new ATOM 0 HD22 LEU B 82 -4.014 7.214 5.343 1.00 0.37 H new ATOM 0 HD23 LEU B 82 -3.519 5.518 5.127 1.00 0.37 H new ATOM 2826 N LEU B 83 -5.645 4.185 0.900 1.00 0.23 N ATOM 2827 CA LEU B 83 -5.984 3.784 -0.500 1.00 0.23 C ATOM 2828 C LEU B 83 -7.227 4.531 -0.974 1.00 0.22 C ATOM 2829 O LEU B 83 -8.281 4.421 -0.385 1.00 0.21 O ATOM 2830 CB LEU B 83 -6.254 2.282 -0.539 1.00 0.25 C ATOM 2831 CG LEU B 83 -6.356 1.819 -1.994 1.00 0.48 C ATOM 2832 CD1 LEU B 83 -5.134 0.971 -2.357 1.00 0.46 C ATOM 2833 CD2 LEU B 83 -7.620 0.983 -2.178 1.00 0.98 C ATOM 0 H LEU B 83 -6.326 3.908 1.607 1.00 0.23 H new ATOM 0 HA LEU B 83 -5.149 4.031 -1.155 1.00 0.23 H new ATOM 0 HB2 LEU B 83 -5.453 1.745 -0.031 1.00 0.25 H new ATOM 0 HB3 LEU B 83 -7.178 2.054 -0.008 1.00 0.25 H new ATOM 0 HG LEU B 83 -6.396 2.694 -2.643 1.00 0.48 H new ATOM 0 HD11 LEU B 83 -5.213 0.645 -3.394 1.00 0.46 H new ATOM 0 HD12 LEU B 83 -4.229 1.565 -2.231 1.00 0.46 H new ATOM 0 HD13 LEU B 83 -5.089 0.099 -1.705 1.00 0.46 H new ATOM 0 HD21 LEU B 83 -7.691 0.654 -3.215 1.00 0.98 H new ATOM 0 HD22 LEU B 83 -7.579 0.113 -1.523 1.00 0.98 H new ATOM 0 HD23 LEU B 83 -8.494 1.585 -1.928 1.00 0.98 H new ATOM 2845 N ARG B 84 -7.111 5.278 -2.042 1.00 0.23 N ATOM 2846 CA ARG B 84 -8.290 6.023 -2.556 1.00 0.24 C ATOM 2847 C ARG B 84 -8.942 5.233 -3.685 1.00 0.30 C ATOM 2848 O ARG B 84 -8.382 4.288 -4.197 1.00 0.71 O ATOM 2849 CB ARG B 84 -7.875 7.417 -3.046 1.00 0.29 C ATOM 2850 CG ARG B 84 -9.053 8.386 -2.858 1.00 0.30 C ATOM 2851 CD ARG B 84 -8.629 9.815 -3.189 1.00 0.34 C ATOM 2852 NE ARG B 84 -9.674 10.761 -2.701 1.00 0.41 N ATOM 2853 CZ ARG B 84 -9.581 12.032 -2.973 1.00 0.50 C ATOM 2854 NH1 ARG B 84 -8.567 12.479 -3.661 1.00 0.55 N ATOM 2855 NH2 ARG B 84 -10.501 12.858 -2.556 1.00 0.60 N ATOM 0 H ARG B 84 -6.251 5.402 -2.577 1.00 0.23 H new ATOM 0 HA ARG B 84 -9.010 6.149 -1.747 1.00 0.24 H new ATOM 0 HB2 ARG B 84 -7.006 7.768 -2.489 1.00 0.29 H new ATOM 0 HB3 ARG B 84 -7.585 7.376 -4.096 1.00 0.29 H new ATOM 0 HG2 ARG B 84 -9.882 8.089 -3.500 1.00 0.30 H new ATOM 0 HG3 ARG B 84 -9.412 8.336 -1.830 1.00 0.30 H new ATOM 0 HD2 ARG B 84 -7.670 10.040 -2.722 1.00 0.34 H new ATOM 0 HD3 ARG B 84 -8.493 9.927 -4.265 1.00 0.34 H new ATOM 0 HE ARG B 84 -10.462 10.413 -2.154 1.00 0.41 H new ATOM 0 HH11 ARG B 84 -7.847 11.834 -3.986 1.00 0.55 H new ATOM 0 HH12 ARG B 84 -8.494 13.474 -3.874 1.00 0.55 H new ATOM 0 HH21 ARG B 84 -11.293 12.509 -2.017 1.00 0.60 H new ATOM 0 HH22 ARG B 84 -10.428 13.853 -2.769 1.00 0.60 H new ATOM 2869 N LEU B 85 -10.116 5.632 -4.082 1.00 0.31 N ATOM 2870 CA LEU B 85 -10.805 4.910 -5.192 1.00 0.28 C ATOM 2871 C LEU B 85 -11.888 5.789 -5.789 1.00 0.27 C ATOM 2872 O LEU B 85 -12.528 6.531 -5.095 1.00 0.29 O ATOM 2873 CB LEU B 85 -11.438 3.629 -4.655 1.00 0.29 C ATOM 2874 CG LEU B 85 -11.023 2.428 -5.513 1.00 0.56 C ATOM 2875 CD1 LEU B 85 -9.553 2.063 -5.267 1.00 1.44 C ATOM 2876 CD2 LEU B 85 -11.900 1.232 -5.146 1.00 0.93 C ATOM 0 H LEU B 85 -10.628 6.422 -3.690 1.00 0.31 H new ATOM 0 HA LEU B 85 -10.074 4.664 -5.962 1.00 0.28 H new ATOM 0 HB2 LEU B 85 -11.131 3.469 -3.622 1.00 0.29 H new ATOM 0 HB3 LEU B 85 -12.524 3.725 -4.653 1.00 0.29 H new ATOM 0 HG LEU B 85 -11.147 2.688 -6.564 1.00 0.56 H new ATOM 0 HD11 LEU B 85 -9.282 1.208 -5.887 1.00 1.44 H new ATOM 0 HD12 LEU B 85 -8.920 2.912 -5.523 1.00 1.44 H new ATOM 0 HD13 LEU B 85 -9.412 1.809 -4.216 1.00 1.44 H new ATOM 0 HD21 LEU B 85 -11.613 0.372 -5.751 1.00 0.93 H new ATOM 0 HD22 LEU B 85 -11.768 0.994 -4.091 1.00 0.93 H new ATOM 0 HD23 LEU B 85 -12.945 1.476 -5.335 1.00 0.93 H new ATOM 2888 N LYS B 86 -12.081 5.703 -7.076 1.00 0.31 N ATOM 2889 CA LYS B 86 -13.123 6.533 -7.754 1.00 0.33 C ATOM 2890 C LYS B 86 -14.064 5.624 -8.550 1.00 0.30 C ATOM 2891 O LYS B 86 -13.655 4.613 -9.072 1.00 0.34 O ATOM 2892 CB LYS B 86 -12.423 7.507 -8.699 1.00 0.39 C ATOM 2893 CG LYS B 86 -13.441 8.215 -9.604 1.00 0.41 C ATOM 2894 CD LYS B 86 -13.476 7.563 -10.995 1.00 0.41 C ATOM 2895 CE LYS B 86 -14.227 8.477 -11.964 1.00 0.51 C ATOM 2896 NZ LYS B 86 -13.410 9.695 -12.234 1.00 1.31 N ATOM 0 H LYS B 86 -11.556 5.086 -7.696 1.00 0.31 H new ATOM 0 HA LYS B 86 -13.706 7.084 -7.016 1.00 0.33 H new ATOM 0 HB2 LYS B 86 -11.868 8.246 -8.121 1.00 0.39 H new ATOM 0 HB3 LYS B 86 -11.698 6.970 -9.310 1.00 0.39 H new ATOM 0 HG2 LYS B 86 -14.431 8.170 -9.151 1.00 0.41 H new ATOM 0 HG3 LYS B 86 -13.181 9.269 -9.697 1.00 0.41 H new ATOM 0 HD2 LYS B 86 -12.461 7.390 -11.353 1.00 0.41 H new ATOM 0 HD3 LYS B 86 -13.966 6.591 -10.941 1.00 0.41 H new ATOM 0 HE2 LYS B 86 -14.430 7.949 -12.895 1.00 0.51 H new ATOM 0 HE3 LYS B 86 -15.191 8.759 -11.541 1.00 0.51 H new ATOM 0 HZ1 LYS B 86 -13.663 10.084 -13.165 1.00 1.31 H new ATOM 0 HZ2 LYS B 86 -13.596 10.407 -11.499 1.00 1.31 H new ATOM 0 HZ3 LYS B 86 -12.401 9.445 -12.226 1.00 1.31 H new ATOM 2910 N ARG B 87 -15.319 5.984 -8.656 1.00 0.28 N ATOM 2911 CA ARG B 87 -16.277 5.133 -9.435 1.00 0.27 C ATOM 2912 C ARG B 87 -16.513 5.747 -10.814 1.00 0.28 C ATOM 2913 O ARG B 87 -16.706 6.938 -10.951 1.00 0.32 O ATOM 2914 CB ARG B 87 -17.624 5.045 -8.717 1.00 0.29 C ATOM 2915 CG ARG B 87 -17.460 4.367 -7.349 1.00 0.61 C ATOM 2916 CD ARG B 87 -17.204 2.866 -7.525 1.00 0.42 C ATOM 2917 NE ARG B 87 -17.516 2.161 -6.248 1.00 0.48 N ATOM 2918 CZ ARG B 87 -17.898 0.910 -6.258 1.00 0.81 C ATOM 2919 NH1 ARG B 87 -17.992 0.258 -7.386 1.00 1.64 N ATOM 2920 NH2 ARG B 87 -18.183 0.309 -5.136 1.00 0.87 N ATOM 0 H ARG B 87 -15.722 6.824 -8.241 1.00 0.28 H new ATOM 0 HA ARG B 87 -15.844 4.137 -9.529 1.00 0.27 H new ATOM 0 HB2 ARG B 87 -18.040 6.044 -8.587 1.00 0.29 H new ATOM 0 HB3 ARG B 87 -18.332 4.482 -9.326 1.00 0.29 H new ATOM 0 HG2 ARG B 87 -16.631 4.823 -6.807 1.00 0.61 H new ATOM 0 HG3 ARG B 87 -18.357 4.522 -6.749 1.00 0.61 H new ATOM 0 HD2 ARG B 87 -17.822 2.472 -8.332 1.00 0.42 H new ATOM 0 HD3 ARG B 87 -16.165 2.693 -7.805 1.00 0.42 H new ATOM 0 HE ARG B 87 -17.431 2.658 -5.361 1.00 0.48 H new ATOM 0 HH11 ARG B 87 -17.767 0.724 -8.265 1.00 1.64 H new ATOM 0 HH12 ARG B 87 -18.290 -0.717 -7.388 1.00 1.64 H new ATOM 0 HH21 ARG B 87 -18.108 0.814 -4.253 1.00 0.87 H new ATOM 0 HH22 ARG B 87 -18.481 -0.666 -5.141 1.00 0.87 H new ATOM 2934 N VAL B 88 -16.518 4.927 -11.831 1.00 0.28 N ATOM 2935 CA VAL B 88 -16.765 5.434 -13.214 1.00 0.32 C ATOM 2936 C VAL B 88 -18.153 4.986 -13.656 1.00 0.34 C ATOM 2937 O VAL B 88 -18.662 5.409 -14.676 1.00 0.39 O ATOM 2938 CB VAL B 88 -15.727 4.860 -14.181 1.00 0.34 C ATOM 2939 CG1 VAL B 88 -15.428 5.886 -15.277 1.00 0.49 C ATOM 2940 CG2 VAL B 88 -14.435 4.533 -13.430 1.00 0.68 C ATOM 0 H VAL B 88 -16.361 3.921 -11.763 1.00 0.28 H new ATOM 0 HA VAL B 88 -16.693 6.522 -13.218 1.00 0.32 H new ATOM 0 HB VAL B 88 -16.124 3.948 -14.627 1.00 0.34 H new ATOM 0 HG11 VAL B 88 -14.689 5.477 -15.966 1.00 0.49 H new ATOM 0 HG12 VAL B 88 -16.344 6.114 -15.821 1.00 0.49 H new ATOM 0 HG13 VAL B 88 -15.038 6.798 -14.825 1.00 0.49 H new ATOM 0 HG21 VAL B 88 -13.703 4.125 -14.127 1.00 0.68 H new ATOM 0 HG22 VAL B 88 -14.038 5.441 -12.976 1.00 0.68 H new ATOM 0 HG23 VAL B 88 -14.643 3.799 -12.651 1.00 0.68 H new ATOM 2950 N TYR B 89 -18.773 4.136 -12.888 1.00 0.33 N ATOM 2951 CA TYR B 89 -20.133 3.662 -13.254 1.00 0.39 C ATOM 2952 C TYR B 89 -20.855 3.161 -12.002 1.00 0.50 C ATOM 2953 O TYR B 89 -20.631 3.729 -10.945 1.00 1.12 O ATOM 2954 CB TYR B 89 -20.024 2.525 -14.272 1.00 0.41 C ATOM 2955 CG TYR B 89 -21.355 2.338 -14.960 1.00 0.54 C ATOM 2956 CD1 TYR B 89 -21.854 3.342 -15.798 1.00 1.47 C ATOM 2957 CD2 TYR B 89 -22.089 1.162 -14.761 1.00 1.13 C ATOM 2958 CE1 TYR B 89 -23.089 3.171 -16.436 1.00 1.77 C ATOM 2959 CE2 TYR B 89 -23.324 0.992 -15.400 1.00 1.27 C ATOM 2960 CZ TYR B 89 -23.824 1.996 -16.237 1.00 1.26 C ATOM 2961 OH TYR B 89 -25.040 1.828 -16.867 1.00 1.66 O ATOM 2962 OXT TYR B 89 -21.620 2.217 -12.120 1.00 1.01 O ATOM 0 H TYR B 89 -18.396 3.750 -12.023 1.00 0.33 H new ATOM 0 HA TYR B 89 -20.697 4.486 -13.692 1.00 0.39 H new ATOM 0 HB2 TYR B 89 -19.251 2.753 -15.006 1.00 0.41 H new ATOM 0 HB3 TYR B 89 -19.727 1.602 -13.773 1.00 0.41 H new ATOM 0 HD1 TYR B 89 -21.287 4.248 -15.953 1.00 1.47 H new ATOM 0 HD2 TYR B 89 -21.703 0.387 -14.115 1.00 1.13 H new ATOM 0 HE1 TYR B 89 -23.475 3.946 -17.082 1.00 1.77 H new ATOM 0 HE2 TYR B 89 -23.891 0.085 -15.247 1.00 1.27 H new ATOM 0 HH TYR B 89 -25.418 0.957 -16.622 1.00 1.66 H new TER 2972 TYR B 89