USER MOD reduce.3.24.130724 H: found=0, std=0, add=1530, rem=0, adj=29 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= -5.66! C(o=-9.5!,f=-9.9!) USER MOD Set 1.2: B 70 SER OG : rot 176:sc= -3.85! USER MOD Set 2.1: B 1 MET N :NH3+ -167:sc= -0.0644 (180deg=-0.263) USER MOD Set 2.2: B 2 THR OG1 : rot 180:sc=-0.000242 USER MOD Set 3.1: A 79 SER OG : rot -110:sc= -0.859 USER MOD Set 3.2: B 44 SER OG : rot 100:sc= 0.786 USER MOD Set 4.1: A 70 SER OG : rot 176:sc= -3.89! USER MOD Set 4.2: B 51 ASN : amide:sc= -5.93! C(o=-9.8!,f=-9.6!) USER MOD Set 5.1: A 44 SER OG : rot -115:sc= 0.487 USER MOD Set 5.2: B 79 SER OG : rot -130:sc= -0.205 USER MOD Set 6.1: A 1 MET N :NH3+ -163:sc= -0.0213 (180deg=-0.309) USER MOD Set 6.2: A 2 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -7.38! C(o=-7.4!,f=-3.9!) USER MOD Single : A 12 LYS NZ :NH3+ -110:sc= -1.49! (180deg=-4.26!) USER MOD Single : A 13 THR OG1 : rot -5:sc= 0.975 USER MOD Single : A 14 LYS NZ :NH3+ -146:sc= -0.269 (180deg=-1.21!) USER MOD Single : A 15 ASN : amide:sc= 0.0255 K(o=0.026,f=-2.5!) USER MOD Single : A 19 HIS : no HD1:sc= -1.99 X(o=-2,f=-2.3!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -1.34! K(o=-1.3!,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= -0.0197 (180deg=-0.0197) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0446 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot -167:sc= -1.22! USER MOD Single : A 52 SER OG : rot 51:sc= -1.2! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.036) USER MOD Single : A 65 ASN : amide:sc= -0.467 X(o=-0.47,f=-0.39) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot -126:sc= -3.68! USER MOD Single : A 80 TYR OH : rot 180:sc= -0.253 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 ASN : amide:sc= -5.5! K(o=-5.5!,f=-0.91) USER MOD Single : B 12 LYS NZ :NH3+ 143:sc= -0.923 (180deg=-3.05!) USER MOD Single : B 13 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ -173:sc= -1.02 (180deg=-1.21) USER MOD Single : B 15 ASN : amide:sc= 0.00315 K(o=0.0032,f=-2.3!) USER MOD Single : B 19 HIS : no HD1:sc= -0.599 X(o=-0.6,f=-0.52) USER MOD Single : B 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 29 GLN : amide:sc= -1.29! K(o=-1.3!,f=0) USER MOD Single : B 37 LYS NZ :NH3+ -177:sc= -0.259 (180deg=-0.282) USER MOD Single : B 39 THR OG1 : rot 180:sc= -0.454 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 TYR OH : rot -177:sc= -1.56! USER MOD Single : B 52 SER OG : rot 96:sc= -1.25! USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.074) USER MOD Single : B 65 ASN : amide:sc= -2.16! C(o=-2.2!,f=-2.8!) USER MOD Single : B 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 68 THR OG1 : rot -100:sc= -5.35! USER MOD Single : B 80 TYR OH : rot 180:sc= -0.151 USER MOD Single : B 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.041 -2.996 -15.266 1.00 4.01 N ATOM 2 CA MET A 1 22.725 -2.598 -15.839 1.00 3.21 C ATOM 3 C MET A 1 21.841 -2.015 -14.732 1.00 2.18 C ATOM 4 O MET A 1 20.762 -2.506 -14.465 1.00 2.40 O ATOM 5 CB MET A 1 22.042 -3.825 -16.447 1.00 3.87 C ATOM 6 CG MET A 1 22.989 -4.497 -17.445 1.00 4.69 C ATOM 7 SD MET A 1 22.025 -5.255 -18.776 1.00 5.64 S ATOM 8 CE MET A 1 23.338 -5.283 -20.021 1.00 6.33 C ATOM 0 H1 MET A 1 24.732 -3.117 -16.034 1.00 4.01 H new ATOM 0 H2 MET A 1 24.374 -2.257 -14.614 1.00 4.01 H new ATOM 0 H3 MET A 1 23.938 -3.892 -14.749 1.00 4.01 H new ATOM 0 HA MET A 1 22.878 -1.847 -16.614 1.00 3.21 H new ATOM 0 HB2 MET A 1 21.767 -4.528 -15.661 1.00 3.87 H new ATOM 0 HB3 MET A 1 21.120 -3.530 -16.947 1.00 3.87 H new ATOM 0 HG2 MET A 1 23.682 -3.763 -17.856 1.00 4.69 H new ATOM 0 HG3 MET A 1 23.589 -5.254 -16.940 1.00 4.69 H new ATOM 0 HE1 MET A 1 22.956 -5.720 -20.943 1.00 6.33 H new ATOM 0 HE2 MET A 1 23.677 -4.265 -20.215 1.00 6.33 H new ATOM 0 HE3 MET A 1 24.173 -5.880 -19.655 1.00 6.33 H new ATOM 20 N THR A 2 22.290 -0.974 -14.086 1.00 1.58 N ATOM 21 CA THR A 2 21.475 -0.362 -12.997 1.00 1.09 C ATOM 22 C THR A 2 21.958 1.067 -12.734 1.00 0.90 C ATOM 23 O THR A 2 23.139 1.316 -12.598 1.00 1.71 O ATOM 24 CB THR A 2 21.625 -1.192 -11.720 1.00 1.87 C ATOM 25 OG1 THR A 2 22.500 -2.284 -11.968 1.00 2.53 O ATOM 26 CG2 THR A 2 20.258 -1.720 -11.284 1.00 2.32 C ATOM 0 H THR A 2 23.186 -0.520 -14.265 1.00 1.58 H new ATOM 0 HA THR A 2 20.428 -0.341 -13.298 1.00 1.09 H new ATOM 0 HB THR A 2 22.037 -0.567 -10.928 1.00 1.87 H new ATOM 0 HG1 THR A 2 22.599 -2.816 -11.151 1.00 2.53 H new ATOM 0 HG21 THR A 2 20.369 -2.310 -10.375 1.00 2.32 H new ATOM 0 HG22 THR A 2 19.588 -0.882 -11.093 1.00 2.32 H new ATOM 0 HG23 THR A 2 19.841 -2.345 -12.074 1.00 2.32 H new ATOM 34 N GLU A 3 21.051 2.003 -12.634 1.00 0.79 N ATOM 35 CA GLU A 3 21.435 3.419 -12.352 1.00 0.55 C ATOM 36 C GLU A 3 20.167 4.183 -11.945 1.00 0.53 C ATOM 37 O GLU A 3 20.187 5.018 -11.070 1.00 0.58 O ATOM 38 CB GLU A 3 22.058 4.101 -13.588 1.00 0.66 C ATOM 39 CG GLU A 3 22.163 3.141 -14.783 1.00 1.13 C ATOM 40 CD GLU A 3 22.414 3.954 -16.056 1.00 1.17 C ATOM 41 OE1 GLU A 3 23.212 4.876 -15.999 1.00 1.60 O ATOM 42 OE2 GLU A 3 21.807 3.639 -17.066 1.00 1.75 O ATOM 0 H GLU A 3 20.049 1.845 -12.737 1.00 0.79 H new ATOM 0 HA GLU A 3 22.180 3.428 -11.557 1.00 0.55 H new ATOM 0 HB2 GLU A 3 21.455 4.964 -13.868 1.00 0.66 H new ATOM 0 HB3 GLU A 3 23.050 4.474 -13.335 1.00 0.66 H new ATOM 0 HG2 GLU A 3 22.974 2.430 -14.624 1.00 1.13 H new ATOM 0 HG3 GLU A 3 21.245 2.561 -14.882 1.00 1.13 H new ATOM 49 N LYS A 4 19.063 3.900 -12.589 1.00 0.59 N ATOM 50 CA LYS A 4 17.790 4.601 -12.242 1.00 0.59 C ATOM 51 C LYS A 4 16.600 3.743 -12.656 1.00 0.59 C ATOM 52 O LYS A 4 15.716 4.192 -13.358 1.00 0.89 O ATOM 53 CB LYS A 4 17.714 5.944 -12.962 1.00 0.54 C ATOM 54 CG LYS A 4 17.752 5.719 -14.473 1.00 1.07 C ATOM 55 CD LYS A 4 18.842 6.587 -15.111 1.00 1.12 C ATOM 56 CE LYS A 4 18.976 6.227 -16.591 1.00 1.71 C ATOM 57 NZ LYS A 4 20.037 7.067 -17.215 1.00 2.24 N ATOM 0 H LYS A 4 18.988 3.214 -13.340 1.00 0.59 H new ATOM 0 HA LYS A 4 17.766 4.769 -11.165 1.00 0.59 H new ATOM 0 HB2 LYS A 4 16.798 6.465 -12.685 1.00 0.54 H new ATOM 0 HB3 LYS A 4 18.546 6.579 -12.658 1.00 0.54 H new ATOM 0 HG2 LYS A 4 17.943 4.667 -14.687 1.00 1.07 H new ATOM 0 HG3 LYS A 4 16.783 5.962 -14.908 1.00 1.07 H new ATOM 0 HD2 LYS A 4 18.591 7.642 -15.003 1.00 1.12 H new ATOM 0 HD3 LYS A 4 19.792 6.431 -14.600 1.00 1.12 H new ATOM 0 HE2 LYS A 4 19.224 5.171 -16.698 1.00 1.71 H new ATOM 0 HE3 LYS A 4 18.026 6.384 -17.102 1.00 1.71 H new ATOM 0 HZ1 LYS A 4 20.127 6.821 -18.222 1.00 2.24 H new ATOM 0 HZ2 LYS A 4 19.782 8.071 -17.125 1.00 2.24 H new ATOM 0 HZ3 LYS A 4 20.943 6.895 -16.734 1.00 2.24 H new ATOM 71 N LEU A 5 16.559 2.523 -12.205 1.00 0.58 N ATOM 72 CA LEU A 5 15.419 1.637 -12.553 1.00 0.62 C ATOM 73 C LEU A 5 15.571 0.329 -11.787 1.00 0.75 C ATOM 74 O LEU A 5 15.548 -0.744 -12.356 1.00 1.54 O ATOM 75 CB LEU A 5 15.415 1.341 -14.053 1.00 0.73 C ATOM 76 CG LEU A 5 14.073 0.717 -14.438 1.00 1.02 C ATOM 77 CD1 LEU A 5 13.080 1.819 -14.813 1.00 1.39 C ATOM 78 CD2 LEU A 5 14.272 -0.219 -15.630 1.00 1.67 C ATOM 0 H LEU A 5 17.270 2.100 -11.608 1.00 0.58 H new ATOM 0 HA LEU A 5 14.483 2.130 -12.289 1.00 0.62 H new ATOM 0 HB2 LEU A 5 15.578 2.259 -14.618 1.00 0.73 H new ATOM 0 HB3 LEU A 5 16.231 0.663 -14.304 1.00 0.73 H new ATOM 0 HG LEU A 5 13.681 0.153 -13.592 1.00 1.02 H new ATOM 0 HD11 LEU A 5 12.125 1.370 -15.087 1.00 1.39 H new ATOM 0 HD12 LEU A 5 12.937 2.485 -13.962 1.00 1.39 H new ATOM 0 HD13 LEU A 5 13.469 2.387 -15.658 1.00 1.39 H new ATOM 0 HD21 LEU A 5 13.316 -0.665 -15.906 1.00 1.67 H new ATOM 0 HD22 LEU A 5 14.666 0.346 -16.475 1.00 1.67 H new ATOM 0 HD23 LEU A 5 14.976 -1.007 -15.361 1.00 1.67 H new ATOM 90 N ASN A 6 15.770 0.409 -10.512 1.00 0.26 N ATOM 91 CA ASN A 6 15.973 -0.824 -9.711 1.00 0.26 C ATOM 92 C ASN A 6 14.646 -1.347 -9.154 1.00 0.24 C ATOM 93 O ASN A 6 14.116 -0.827 -8.197 1.00 0.26 O ATOM 94 CB ASN A 6 16.912 -0.486 -8.568 1.00 0.35 C ATOM 95 CG ASN A 6 17.179 -1.734 -7.732 1.00 0.93 C ATOM 96 OD1 ASN A 6 17.217 -2.830 -8.253 1.00 1.72 O ATOM 97 ND2 ASN A 6 17.369 -1.615 -6.450 1.00 1.39 N ATOM 0 H ASN A 6 15.802 1.280 -9.982 1.00 0.26 H new ATOM 0 HA ASN A 6 16.395 -1.605 -10.344 1.00 0.26 H new ATOM 0 HB2 ASN A 6 17.850 -0.092 -8.960 1.00 0.35 H new ATOM 0 HB3 ASN A 6 16.475 0.294 -7.944 1.00 0.35 H new ATOM 0 HD21 ASN A 6 17.550 -2.443 -5.882 1.00 1.39 H new ATOM 0 HD22 ASN A 6 17.337 -0.694 -6.013 1.00 1.39 H new ATOM 104 N GLU A 7 14.130 -2.401 -9.720 1.00 0.25 N ATOM 105 CA GLU A 7 12.862 -2.982 -9.194 1.00 0.28 C ATOM 106 C GLU A 7 13.213 -4.084 -8.205 1.00 0.28 C ATOM 107 O GLU A 7 13.948 -4.996 -8.531 1.00 0.30 O ATOM 108 CB GLU A 7 12.034 -3.556 -10.341 1.00 0.35 C ATOM 109 CG GLU A 7 12.818 -4.678 -11.021 1.00 0.44 C ATOM 110 CD GLU A 7 12.530 -4.668 -12.523 1.00 0.75 C ATOM 111 OE1 GLU A 7 12.630 -3.608 -13.119 1.00 1.44 O ATOM 112 OE2 GLU A 7 12.214 -5.721 -13.053 1.00 1.12 O ATOM 0 H GLU A 7 14.530 -2.886 -10.523 1.00 0.25 H new ATOM 0 HA GLU A 7 12.275 -2.208 -8.699 1.00 0.28 H new ATOM 0 HB2 GLU A 7 11.085 -3.937 -9.964 1.00 0.35 H new ATOM 0 HB3 GLU A 7 11.799 -2.773 -11.062 1.00 0.35 H new ATOM 0 HG2 GLU A 7 13.886 -4.548 -10.844 1.00 0.44 H new ATOM 0 HG3 GLU A 7 12.539 -5.641 -10.593 1.00 0.44 H new ATOM 119 N ILE A 8 12.733 -3.987 -6.989 1.00 0.28 N ATOM 120 CA ILE A 8 13.106 -5.041 -5.971 1.00 0.31 C ATOM 121 C ILE A 8 11.899 -5.619 -5.225 1.00 0.28 C ATOM 122 O ILE A 8 10.883 -4.984 -5.033 1.00 0.28 O ATOM 123 CB ILE A 8 14.059 -4.445 -4.936 1.00 0.35 C ATOM 124 CG1 ILE A 8 14.571 -3.092 -5.424 1.00 0.42 C ATOM 125 CG2 ILE A 8 15.244 -5.389 -4.716 1.00 0.56 C ATOM 126 CD1 ILE A 8 15.623 -2.566 -4.445 1.00 1.11 C ATOM 0 H ILE A 8 12.115 -3.248 -6.655 1.00 0.28 H new ATOM 0 HA ILE A 8 13.574 -5.850 -6.531 1.00 0.31 H new ATOM 0 HB ILE A 8 13.524 -4.312 -3.996 1.00 0.35 H new ATOM 0 HG12 ILE A 8 15.002 -3.191 -6.420 1.00 0.42 H new ATOM 0 HG13 ILE A 8 13.745 -2.385 -5.503 1.00 0.42 H new ATOM 0 HG21 ILE A 8 15.920 -4.958 -3.977 1.00 0.56 H new ATOM 0 HG22 ILE A 8 14.880 -6.352 -4.358 1.00 0.56 H new ATOM 0 HG23 ILE A 8 15.777 -5.530 -5.657 1.00 0.56 H new ATOM 0 HD11 ILE A 8 15.991 -1.600 -4.791 1.00 1.11 H new ATOM 0 HD12 ILE A 8 15.176 -2.452 -3.457 1.00 1.11 H new ATOM 0 HD13 ILE A 8 16.452 -3.271 -4.389 1.00 1.11 H new ATOM 138 N VAL A 9 12.041 -6.848 -4.798 1.00 0.28 N ATOM 139 CA VAL A 9 10.962 -7.540 -4.039 1.00 0.27 C ATOM 140 C VAL A 9 11.337 -7.600 -2.549 1.00 0.24 C ATOM 141 O VAL A 9 12.409 -8.042 -2.184 1.00 0.25 O ATOM 142 CB VAL A 9 10.799 -8.966 -4.581 1.00 0.30 C ATOM 143 CG1 VAL A 9 12.116 -9.731 -4.419 1.00 1.35 C ATOM 144 CG2 VAL A 9 9.697 -9.696 -3.806 1.00 1.27 C ATOM 0 H VAL A 9 12.879 -7.410 -4.948 1.00 0.28 H new ATOM 0 HA VAL A 9 10.026 -6.993 -4.154 1.00 0.27 H new ATOM 0 HB VAL A 9 10.529 -8.915 -5.636 1.00 0.30 H new ATOM 0 HG11 VAL A 9 11.998 -10.744 -4.805 1.00 1.35 H new ATOM 0 HG12 VAL A 9 12.904 -9.221 -4.974 1.00 1.35 H new ATOM 0 HG13 VAL A 9 12.385 -9.774 -3.363 1.00 1.35 H new ATOM 0 HG21 VAL A 9 9.587 -10.708 -4.196 1.00 1.27 H new ATOM 0 HG22 VAL A 9 9.964 -9.741 -2.750 1.00 1.27 H new ATOM 0 HG23 VAL A 9 8.755 -9.159 -3.920 1.00 1.27 H new ATOM 154 N VAL A 10 10.465 -7.149 -1.693 1.00 0.23 N ATOM 155 CA VAL A 10 10.782 -7.172 -0.231 1.00 0.22 C ATOM 156 C VAL A 10 10.307 -8.503 0.355 1.00 0.20 C ATOM 157 O VAL A 10 9.575 -9.236 -0.280 1.00 0.20 O ATOM 158 CB VAL A 10 10.086 -6.001 0.477 1.00 0.23 C ATOM 159 CG1 VAL A 10 8.697 -6.423 0.951 1.00 0.33 C ATOM 160 CG2 VAL A 10 10.913 -5.579 1.693 1.00 0.39 C ATOM 0 H VAL A 10 9.551 -6.767 -1.936 1.00 0.23 H new ATOM 0 HA VAL A 10 11.857 -7.071 -0.084 1.00 0.22 H new ATOM 0 HB VAL A 10 9.994 -5.171 -0.223 1.00 0.23 H new ATOM 0 HG11 VAL A 10 8.213 -5.584 1.452 1.00 0.33 H new ATOM 0 HG12 VAL A 10 8.097 -6.729 0.094 1.00 0.33 H new ATOM 0 HG13 VAL A 10 8.788 -7.257 1.647 1.00 0.33 H new ATOM 0 HG21 VAL A 10 10.420 -4.748 2.197 1.00 0.39 H new ATOM 0 HG22 VAL A 10 11.002 -6.419 2.382 1.00 0.39 H new ATOM 0 HG23 VAL A 10 11.906 -5.269 1.368 1.00 0.39 H new ATOM 170 N ARG A 11 10.726 -8.834 1.556 1.00 0.20 N ATOM 171 CA ARG A 11 10.304 -10.131 2.163 1.00 0.19 C ATOM 172 C ARG A 11 9.956 -9.942 3.638 1.00 0.22 C ATOM 173 O ARG A 11 10.136 -8.886 4.211 1.00 0.22 O ATOM 174 CB ARG A 11 11.431 -11.162 2.063 1.00 0.20 C ATOM 175 CG ARG A 11 12.528 -10.668 1.121 1.00 0.30 C ATOM 176 CD ARG A 11 13.501 -11.815 0.846 1.00 0.34 C ATOM 177 NE ARG A 11 12.860 -12.809 -0.064 1.00 1.17 N ATOM 178 CZ ARG A 11 12.926 -12.653 -1.360 1.00 1.42 C ATOM 179 NH1 ARG A 11 13.525 -11.611 -1.867 1.00 1.51 N ATOM 180 NH2 ARG A 11 12.387 -13.542 -2.149 1.00 2.27 N ATOM 0 H ARG A 11 11.339 -8.262 2.137 1.00 0.20 H new ATOM 0 HA ARG A 11 9.429 -10.484 1.617 1.00 0.19 H new ATOM 0 HB2 ARG A 11 11.850 -11.348 3.052 1.00 0.20 H new ATOM 0 HB3 ARG A 11 11.033 -12.110 1.701 1.00 0.20 H new ATOM 0 HG2 ARG A 11 12.091 -10.313 0.188 1.00 0.30 H new ATOM 0 HG3 ARG A 11 13.056 -9.825 1.567 1.00 0.30 H new ATOM 0 HD2 ARG A 11 14.415 -11.429 0.394 1.00 0.34 H new ATOM 0 HD3 ARG A 11 13.787 -12.295 1.782 1.00 0.34 H new ATOM 0 HE ARG A 11 12.369 -13.613 0.327 1.00 1.17 H new ATOM 0 HH11 ARG A 11 13.944 -10.914 -1.251 1.00 1.51 H new ATOM 0 HH12 ARG A 11 13.574 -11.493 -2.879 1.00 1.51 H new ATOM 0 HH21 ARG A 11 11.916 -14.356 -1.754 1.00 2.27 H new ATOM 0 HH22 ARG A 11 12.437 -13.423 -3.161 1.00 2.27 H new ATOM 194 N LYS A 12 9.461 -10.981 4.246 1.00 0.27 N ATOM 195 CA LYS A 12 9.089 -10.924 5.681 1.00 0.32 C ATOM 196 C LYS A 12 10.252 -11.444 6.505 1.00 0.35 C ATOM 197 O LYS A 12 10.308 -11.271 7.706 1.00 0.43 O ATOM 198 CB LYS A 12 7.890 -11.832 5.917 1.00 0.35 C ATOM 199 CG LYS A 12 8.317 -13.284 5.696 1.00 0.38 C ATOM 200 CD LYS A 12 7.097 -14.136 5.339 1.00 1.05 C ATOM 201 CE LYS A 12 7.258 -15.535 5.937 1.00 1.03 C ATOM 202 NZ LYS A 12 6.241 -16.449 5.346 1.00 1.78 N ATOM 0 H LYS A 12 9.296 -11.883 3.799 1.00 0.27 H new ATOM 0 HA LYS A 12 8.848 -9.899 5.963 1.00 0.32 H new ATOM 0 HB2 LYS A 12 7.511 -11.701 6.931 1.00 0.35 H new ATOM 0 HB3 LYS A 12 7.079 -11.570 5.237 1.00 0.35 H new ATOM 0 HG2 LYS A 12 9.056 -13.337 4.896 1.00 0.38 H new ATOM 0 HG3 LYS A 12 8.793 -13.673 6.596 1.00 0.38 H new ATOM 0 HD2 LYS A 12 6.189 -13.668 5.721 1.00 1.05 H new ATOM 0 HD3 LYS A 12 6.991 -14.202 4.256 1.00 1.05 H new ATOM 0 HE2 LYS A 12 8.261 -15.913 5.739 1.00 1.03 H new ATOM 0 HE3 LYS A 12 7.140 -15.495 7.020 1.00 1.03 H new ATOM 0 HZ1 LYS A 12 5.534 -16.694 6.068 1.00 1.78 H new ATOM 0 HZ2 LYS A 12 5.771 -15.976 4.548 1.00 1.78 H new ATOM 0 HZ3 LYS A 12 6.707 -17.316 5.009 1.00 1.78 H new ATOM 216 N THR A 13 11.190 -12.075 5.863 1.00 0.34 N ATOM 217 CA THR A 13 12.357 -12.602 6.606 1.00 0.44 C ATOM 218 C THR A 13 13.386 -11.487 6.703 1.00 0.58 C ATOM 219 O THR A 13 14.452 -11.644 7.264 1.00 1.08 O ATOM 220 CB THR A 13 12.958 -13.796 5.863 1.00 0.48 C ATOM 221 OG1 THR A 13 14.246 -14.079 6.391 1.00 1.24 O ATOM 222 CG2 THR A 13 13.076 -13.464 4.375 1.00 1.01 C ATOM 0 H THR A 13 11.197 -12.247 4.858 1.00 0.34 H new ATOM 0 HA THR A 13 12.054 -12.934 7.599 1.00 0.44 H new ATOM 0 HB THR A 13 12.314 -14.666 5.989 1.00 0.48 H new ATOM 0 HG1 THR A 13 14.486 -13.396 7.051 1.00 1.24 H new ATOM 0 HG21 THR A 13 13.504 -14.315 3.845 1.00 1.01 H new ATOM 0 HG22 THR A 13 12.087 -13.246 3.971 1.00 1.01 H new ATOM 0 HG23 THR A 13 13.721 -12.595 4.246 1.00 1.01 H new ATOM 230 N LYS A 14 13.043 -10.349 6.169 1.00 0.35 N ATOM 231 CA LYS A 14 13.940 -9.174 6.212 1.00 0.43 C ATOM 232 C LYS A 14 13.189 -8.069 6.937 1.00 0.57 C ATOM 233 O LYS A 14 12.052 -7.768 6.630 1.00 1.34 O ATOM 234 CB LYS A 14 14.280 -8.752 4.777 1.00 0.39 C ATOM 235 CG LYS A 14 15.791 -8.866 4.528 1.00 0.60 C ATOM 236 CD LYS A 14 16.043 -9.183 3.056 1.00 0.86 C ATOM 237 CE LYS A 14 16.048 -10.698 2.875 1.00 1.06 C ATOM 238 NZ LYS A 14 17.203 -11.282 3.614 1.00 1.41 N ATOM 0 H LYS A 14 12.155 -10.186 5.694 1.00 0.35 H new ATOM 0 HA LYS A 14 14.873 -9.394 6.730 1.00 0.43 H new ATOM 0 HB2 LYS A 14 13.740 -9.381 4.069 1.00 0.39 H new ATOM 0 HB3 LYS A 14 13.953 -7.726 4.606 1.00 0.39 H new ATOM 0 HG2 LYS A 14 16.286 -7.934 4.800 1.00 0.60 H new ATOM 0 HG3 LYS A 14 16.216 -9.648 5.157 1.00 0.60 H new ATOM 0 HD2 LYS A 14 15.270 -8.731 2.435 1.00 0.86 H new ATOM 0 HD3 LYS A 14 16.996 -8.761 2.737 1.00 0.86 H new ATOM 0 HE2 LYS A 14 15.114 -11.122 3.244 1.00 1.06 H new ATOM 0 HE3 LYS A 14 16.116 -10.948 1.816 1.00 1.06 H new ATOM 0 HZ1 LYS A 14 17.566 -12.107 3.095 1.00 1.41 H new ATOM 0 HZ2 LYS A 14 17.955 -10.569 3.701 1.00 1.41 H new ATOM 0 HZ3 LYS A 14 16.895 -11.578 4.562 1.00 1.41 H new ATOM 252 N ASN A 15 13.801 -7.492 7.918 1.00 0.43 N ATOM 253 CA ASN A 15 13.112 -6.434 8.698 1.00 0.33 C ATOM 254 C ASN A 15 12.956 -5.185 7.848 1.00 0.24 C ATOM 255 O ASN A 15 13.367 -5.136 6.706 1.00 0.24 O ATOM 256 CB ASN A 15 13.935 -6.103 9.946 1.00 0.47 C ATOM 257 CG ASN A 15 13.037 -6.162 11.183 1.00 0.56 C ATOM 258 OD1 ASN A 15 12.013 -5.511 11.236 1.00 1.23 O ATOM 259 ND2 ASN A 15 13.381 -6.920 12.188 1.00 1.25 N ATOM 0 H ASN A 15 14.752 -7.705 8.218 1.00 0.43 H new ATOM 0 HA ASN A 15 12.126 -6.791 8.994 1.00 0.33 H new ATOM 0 HB2 ASN A 15 14.759 -6.809 10.048 1.00 0.47 H new ATOM 0 HB3 ASN A 15 14.375 -5.111 9.851 1.00 0.47 H new ATOM 0 HD21 ASN A 15 12.790 -6.966 13.018 1.00 1.25 H new ATOM 0 HD22 ASN A 15 14.241 -7.467 12.143 1.00 1.25 H new ATOM 266 N VAL A 16 12.396 -4.161 8.414 1.00 0.24 N ATOM 267 CA VAL A 16 12.249 -2.897 7.659 1.00 0.22 C ATOM 268 C VAL A 16 13.597 -2.194 7.712 1.00 0.23 C ATOM 269 O VAL A 16 13.986 -1.468 6.819 1.00 0.25 O ATOM 270 CB VAL A 16 11.171 -2.024 8.311 1.00 0.29 C ATOM 271 CG1 VAL A 16 10.011 -2.908 8.777 1.00 0.31 C ATOM 272 CG2 VAL A 16 11.759 -1.291 9.519 1.00 0.49 C ATOM 0 H VAL A 16 12.034 -4.145 9.367 1.00 0.24 H new ATOM 0 HA VAL A 16 11.949 -3.085 6.628 1.00 0.22 H new ATOM 0 HB VAL A 16 10.812 -1.296 7.583 1.00 0.29 H new ATOM 0 HG11 VAL A 16 9.244 -2.287 9.241 1.00 0.31 H new ATOM 0 HG12 VAL A 16 9.586 -3.431 7.921 1.00 0.31 H new ATOM 0 HG13 VAL A 16 10.376 -3.636 9.502 1.00 0.31 H new ATOM 0 HG21 VAL A 16 10.989 -0.672 9.979 1.00 0.49 H new ATOM 0 HG22 VAL A 16 12.121 -2.019 10.245 1.00 0.49 H new ATOM 0 HG23 VAL A 16 12.586 -0.660 9.194 1.00 0.49 H new ATOM 282 N GLU A 17 14.327 -2.456 8.755 1.00 0.27 N ATOM 283 CA GLU A 17 15.666 -1.854 8.907 1.00 0.33 C ATOM 284 C GLU A 17 16.644 -2.562 7.986 1.00 0.34 C ATOM 285 O GLU A 17 17.419 -1.935 7.297 1.00 0.37 O ATOM 286 CB GLU A 17 16.141 -2.029 10.343 1.00 0.39 C ATOM 287 CG GLU A 17 17.145 -0.937 10.677 1.00 0.86 C ATOM 288 CD GLU A 17 17.661 -1.142 12.102 1.00 1.03 C ATOM 289 OE1 GLU A 17 17.050 -1.909 12.827 1.00 1.41 O ATOM 290 OE2 GLU A 17 18.659 -0.529 12.445 1.00 1.56 O ATOM 0 H GLU A 17 14.044 -3.072 9.518 1.00 0.27 H new ATOM 0 HA GLU A 17 15.614 -0.794 8.657 1.00 0.33 H new ATOM 0 HB2 GLU A 17 15.294 -1.981 11.027 1.00 0.39 H new ATOM 0 HB3 GLU A 17 16.598 -3.010 10.470 1.00 0.39 H new ATOM 0 HG2 GLU A 17 17.975 -0.962 9.971 1.00 0.86 H new ATOM 0 HG3 GLU A 17 16.677 0.043 10.585 1.00 0.86 H new ATOM 297 N ASP A 18 16.638 -3.866 7.971 1.00 0.35 N ATOM 298 CA ASP A 18 17.593 -4.595 7.106 1.00 0.38 C ATOM 299 C ASP A 18 17.361 -4.264 5.640 1.00 0.35 C ATOM 300 O ASP A 18 18.290 -4.297 4.849 1.00 0.34 O ATOM 301 CB ASP A 18 17.400 -6.095 7.304 1.00 0.46 C ATOM 302 CG ASP A 18 18.606 -6.678 8.039 1.00 0.66 C ATOM 303 OD1 ASP A 18 19.720 -6.383 7.636 1.00 1.38 O ATOM 304 OD2 ASP A 18 18.398 -7.414 8.990 1.00 1.27 O ATOM 0 H ASP A 18 16.012 -4.454 8.522 1.00 0.35 H new ATOM 0 HA ASP A 18 18.605 -4.296 7.380 1.00 0.38 H new ATOM 0 HB2 ASP A 18 16.490 -6.282 7.874 1.00 0.46 H new ATOM 0 HB3 ASP A 18 17.278 -6.586 6.339 1.00 0.46 H new ATOM 309 N HIS A 19 16.160 -3.929 5.239 1.00 0.34 N ATOM 310 CA HIS A 19 15.942 -3.601 3.804 1.00 0.33 C ATOM 311 C HIS A 19 16.111 -2.097 3.588 1.00 0.28 C ATOM 312 O HIS A 19 16.327 -1.652 2.481 1.00 0.27 O ATOM 313 CB HIS A 19 14.530 -4.020 3.393 1.00 0.36 C ATOM 314 CG HIS A 19 14.614 -4.962 2.225 1.00 0.53 C ATOM 315 ND1 HIS A 19 13.990 -6.202 2.226 1.00 1.22 N ATOM 316 CD2 HIS A 19 15.251 -4.865 1.012 1.00 1.43 C ATOM 317 CE1 HIS A 19 14.263 -6.795 1.049 1.00 1.27 C ATOM 318 NE2 HIS A 19 15.026 -6.021 0.276 1.00 1.40 N ATOM 0 H HIS A 19 15.335 -3.870 5.836 1.00 0.34 H new ATOM 0 HA HIS A 19 16.672 -4.137 3.197 1.00 0.33 H new ATOM 0 HB2 HIS A 19 14.023 -4.502 4.229 1.00 0.36 H new ATOM 0 HB3 HIS A 19 13.941 -3.143 3.126 1.00 0.36 H new ATOM 0 HD2 HIS A 19 15.837 -4.020 0.681 1.00 1.43 H new ATOM 0 HE1 HIS A 19 13.909 -7.775 0.766 1.00 1.27 H new ATOM 0 HE2 HIS A 19 15.372 -6.234 -0.660 1.00 1.40 H new ATOM 327 N VAL A 20 16.094 -1.308 4.633 1.00 0.26 N ATOM 328 CA VAL A 20 16.341 0.145 4.426 1.00 0.24 C ATOM 329 C VAL A 20 17.850 0.273 4.252 1.00 0.23 C ATOM 330 O VAL A 20 18.357 1.121 3.547 1.00 0.22 O ATOM 331 CB VAL A 20 15.846 0.966 5.633 1.00 0.25 C ATOM 332 CG1 VAL A 20 16.994 1.268 6.604 1.00 0.29 C ATOM 333 CG2 VAL A 20 15.250 2.284 5.140 1.00 0.29 C ATOM 0 H VAL A 20 15.924 -1.600 5.596 1.00 0.26 H new ATOM 0 HA VAL A 20 15.802 0.530 3.560 1.00 0.24 H new ATOM 0 HB VAL A 20 15.091 0.381 6.158 1.00 0.25 H new ATOM 0 HG11 VAL A 20 16.616 1.848 7.446 1.00 0.29 H new ATOM 0 HG12 VAL A 20 17.417 0.332 6.969 1.00 0.29 H new ATOM 0 HG13 VAL A 20 17.766 1.838 6.088 1.00 0.29 H new ATOM 0 HG21 VAL A 20 14.899 2.866 5.992 1.00 0.29 H new ATOM 0 HG22 VAL A 20 16.012 2.849 4.603 1.00 0.29 H new ATOM 0 HG23 VAL A 20 14.413 2.078 4.473 1.00 0.29 H new ATOM 343 N LEU A 21 18.554 -0.617 4.896 1.00 0.25 N ATOM 344 CA LEU A 21 20.036 -0.643 4.805 1.00 0.27 C ATOM 345 C LEU A 21 20.436 -1.101 3.404 1.00 0.27 C ATOM 346 O LEU A 21 21.193 -0.442 2.711 1.00 0.28 O ATOM 347 CB LEU A 21 20.592 -1.645 5.819 1.00 0.32 C ATOM 348 CG LEU A 21 20.484 -1.088 7.247 1.00 0.34 C ATOM 349 CD1 LEU A 21 20.945 -2.154 8.241 1.00 0.41 C ATOM 350 CD2 LEU A 21 21.370 0.155 7.397 1.00 0.34 C ATOM 0 H LEU A 21 18.153 -1.341 5.493 1.00 0.25 H new ATOM 0 HA LEU A 21 20.432 0.352 5.010 1.00 0.27 H new ATOM 0 HB2 LEU A 21 20.044 -2.585 5.747 1.00 0.32 H new ATOM 0 HB3 LEU A 21 21.634 -1.865 5.587 1.00 0.32 H new ATOM 0 HG LEU A 21 19.447 -0.816 7.445 1.00 0.34 H new ATOM 0 HD11 LEU A 21 20.870 -1.762 9.255 1.00 0.41 H new ATOM 0 HD12 LEU A 21 20.314 -3.038 8.145 1.00 0.41 H new ATOM 0 HD13 LEU A 21 21.980 -2.423 8.032 1.00 0.41 H new ATOM 0 HD21 LEU A 21 21.286 0.541 8.413 1.00 0.34 H new ATOM 0 HD22 LEU A 21 22.408 -0.111 7.195 1.00 0.34 H new ATOM 0 HD23 LEU A 21 21.047 0.919 6.690 1.00 0.34 H new ATOM 362 N ASP A 22 19.930 -2.226 2.971 1.00 0.28 N ATOM 363 CA ASP A 22 20.285 -2.723 1.611 1.00 0.31 C ATOM 364 C ASP A 22 19.743 -1.760 0.551 1.00 0.29 C ATOM 365 O ASP A 22 20.271 -1.655 -0.535 1.00 0.31 O ATOM 366 CB ASP A 22 19.672 -4.108 1.400 1.00 0.36 C ATOM 367 CG ASP A 22 20.353 -4.794 0.215 1.00 0.44 C ATOM 368 OD1 ASP A 22 21.186 -4.160 -0.412 1.00 1.22 O ATOM 369 OD2 ASP A 22 20.031 -5.942 -0.046 1.00 1.01 O ATOM 0 H ASP A 22 19.289 -2.819 3.498 1.00 0.28 H new ATOM 0 HA ASP A 22 21.370 -2.785 1.521 1.00 0.31 H new ATOM 0 HB2 ASP A 22 19.791 -4.711 2.300 1.00 0.36 H new ATOM 0 HB3 ASP A 22 18.601 -4.019 1.216 1.00 0.36 H new ATOM 374 N VAL A 23 18.699 -1.049 0.868 1.00 0.27 N ATOM 375 CA VAL A 23 18.132 -0.078 -0.114 1.00 0.27 C ATOM 376 C VAL A 23 19.066 1.130 -0.200 1.00 0.26 C ATOM 377 O VAL A 23 19.474 1.554 -1.271 1.00 0.26 O ATOM 378 CB VAL A 23 16.741 0.375 0.332 1.00 0.28 C ATOM 379 CG1 VAL A 23 16.332 1.606 -0.476 1.00 0.31 C ATOM 380 CG2 VAL A 23 15.733 -0.748 0.081 1.00 0.32 C ATOM 0 H VAL A 23 18.212 -1.096 1.763 1.00 0.27 H new ATOM 0 HA VAL A 23 18.043 -0.554 -1.090 1.00 0.27 H new ATOM 0 HB VAL A 23 16.759 0.618 1.394 1.00 0.28 H new ATOM 0 HG11 VAL A 23 15.341 1.934 -0.163 1.00 0.31 H new ATOM 0 HG12 VAL A 23 17.050 2.408 -0.306 1.00 0.31 H new ATOM 0 HG13 VAL A 23 16.313 1.355 -1.537 1.00 0.31 H new ATOM 0 HG21 VAL A 23 14.742 -0.425 0.399 1.00 0.32 H new ATOM 0 HG22 VAL A 23 15.713 -0.988 -0.982 1.00 0.32 H new ATOM 0 HG23 VAL A 23 16.025 -1.632 0.647 1.00 0.32 H new ATOM 390 N ILE A 24 19.420 1.677 0.929 1.00 0.25 N ATOM 391 CA ILE A 24 20.337 2.847 0.946 1.00 0.26 C ATOM 392 C ILE A 24 21.644 2.449 0.267 1.00 0.26 C ATOM 393 O ILE A 24 22.376 3.280 -0.231 1.00 0.28 O ATOM 394 CB ILE A 24 20.590 3.249 2.408 1.00 0.30 C ATOM 395 CG1 ILE A 24 19.718 4.460 2.768 1.00 0.57 C ATOM 396 CG2 ILE A 24 22.070 3.587 2.650 1.00 0.45 C ATOM 397 CD1 ILE A 24 20.295 5.746 2.163 1.00 0.58 C ATOM 0 H ILE A 24 19.110 1.360 1.848 1.00 0.25 H new ATOM 0 HA ILE A 24 19.902 3.693 0.414 1.00 0.26 H new ATOM 0 HB ILE A 24 20.329 2.402 3.042 1.00 0.30 H new ATOM 0 HG12 ILE A 24 18.703 4.304 2.402 1.00 0.57 H new ATOM 0 HG13 ILE A 24 19.655 4.559 3.852 1.00 0.57 H new ATOM 0 HG21 ILE A 24 22.213 3.867 3.694 1.00 0.45 H new ATOM 0 HG22 ILE A 24 22.684 2.716 2.420 1.00 0.45 H new ATOM 0 HG23 ILE A 24 22.363 4.418 2.008 1.00 0.45 H new ATOM 0 HD11 ILE A 24 19.661 6.591 2.431 1.00 0.58 H new ATOM 0 HD12 ILE A 24 21.301 5.910 2.549 1.00 0.58 H new ATOM 0 HD13 ILE A 24 20.334 5.652 1.078 1.00 0.58 H new ATOM 409 N VAL A 25 21.942 1.181 0.237 1.00 0.26 N ATOM 410 CA VAL A 25 23.203 0.734 -0.415 1.00 0.29 C ATOM 411 C VAL A 25 23.093 0.903 -1.938 1.00 0.29 C ATOM 412 O VAL A 25 24.021 1.344 -2.584 1.00 0.31 O ATOM 413 CB VAL A 25 23.462 -0.735 -0.064 1.00 0.31 C ATOM 414 CG1 VAL A 25 24.582 -1.292 -0.945 1.00 0.41 C ATOM 415 CG2 VAL A 25 23.878 -0.835 1.406 1.00 0.36 C ATOM 0 H VAL A 25 21.369 0.437 0.634 1.00 0.26 H new ATOM 0 HA VAL A 25 24.034 1.341 -0.056 1.00 0.29 H new ATOM 0 HB VAL A 25 22.553 -1.312 -0.233 1.00 0.31 H new ATOM 0 HG11 VAL A 25 24.760 -2.337 -0.690 1.00 0.41 H new ATOM 0 HG12 VAL A 25 24.291 -1.219 -1.993 1.00 0.41 H new ATOM 0 HG13 VAL A 25 25.494 -0.718 -0.781 1.00 0.41 H new ATOM 0 HG21 VAL A 25 24.064 -1.878 1.661 1.00 0.36 H new ATOM 0 HG22 VAL A 25 24.786 -0.255 1.567 1.00 0.36 H new ATOM 0 HG23 VAL A 25 23.080 -0.443 2.037 1.00 0.36 H new ATOM 425 N LEU A 26 21.981 0.552 -2.530 1.00 0.29 N ATOM 426 CA LEU A 26 21.847 0.700 -4.013 1.00 0.32 C ATOM 427 C LEU A 26 21.810 2.189 -4.386 1.00 0.32 C ATOM 428 O LEU A 26 22.315 2.598 -5.419 1.00 0.35 O ATOM 429 CB LEU A 26 20.563 0.014 -4.498 1.00 0.36 C ATOM 430 CG LEU A 26 20.131 -1.077 -3.514 1.00 0.65 C ATOM 431 CD1 LEU A 26 18.941 -1.841 -4.092 1.00 0.49 C ATOM 432 CD2 LEU A 26 21.290 -2.052 -3.285 1.00 1.19 C ATOM 0 H LEU A 26 21.163 0.171 -2.055 1.00 0.29 H new ATOM 0 HA LEU A 26 22.705 0.229 -4.493 1.00 0.32 H new ATOM 0 HB2 LEU A 26 19.768 0.752 -4.604 1.00 0.36 H new ATOM 0 HB3 LEU A 26 20.727 -0.422 -5.484 1.00 0.36 H new ATOM 0 HG LEU A 26 19.849 -0.616 -2.567 1.00 0.65 H new ATOM 0 HD11 LEU A 26 18.633 -2.618 -3.392 1.00 0.49 H new ATOM 0 HD12 LEU A 26 18.112 -1.152 -4.258 1.00 0.49 H new ATOM 0 HD13 LEU A 26 19.228 -2.299 -5.039 1.00 0.49 H new ATOM 0 HD21 LEU A 26 20.980 -2.827 -2.584 1.00 1.19 H new ATOM 0 HD22 LEU A 26 21.572 -2.511 -4.233 1.00 1.19 H new ATOM 0 HD23 LEU A 26 22.144 -1.512 -2.875 1.00 1.19 H new ATOM 444 N PHE A 27 21.241 3.012 -3.547 1.00 0.31 N ATOM 445 CA PHE A 27 21.217 4.471 -3.861 1.00 0.33 C ATOM 446 C PHE A 27 22.667 4.940 -3.933 1.00 0.34 C ATOM 447 O PHE A 27 23.012 5.886 -4.612 1.00 0.37 O ATOM 448 CB PHE A 27 20.482 5.229 -2.757 1.00 0.35 C ATOM 449 CG PHE A 27 20.959 6.662 -2.726 1.00 0.44 C ATOM 450 CD1 PHE A 27 20.790 7.478 -3.852 1.00 1.19 C ATOM 451 CD2 PHE A 27 21.570 7.178 -1.576 1.00 1.38 C ATOM 452 CE1 PHE A 27 21.231 8.806 -3.828 1.00 1.22 C ATOM 453 CE2 PHE A 27 22.012 8.506 -1.552 1.00 1.46 C ATOM 454 CZ PHE A 27 21.842 9.320 -2.679 1.00 0.71 C ATOM 0 H PHE A 27 20.797 2.743 -2.669 1.00 0.31 H new ATOM 0 HA PHE A 27 20.701 4.656 -4.803 1.00 0.33 H new ATOM 0 HB2 PHE A 27 19.407 5.196 -2.933 1.00 0.35 H new ATOM 0 HB3 PHE A 27 20.662 4.754 -1.793 1.00 0.35 H new ATOM 0 HD1 PHE A 27 20.319 7.082 -4.739 1.00 1.19 H new ATOM 0 HD2 PHE A 27 21.700 6.550 -0.707 1.00 1.38 H new ATOM 0 HE1 PHE A 27 21.100 9.434 -4.697 1.00 1.22 H new ATOM 0 HE2 PHE A 27 22.484 8.903 -0.665 1.00 1.46 H new ATOM 0 HZ PHE A 27 22.183 10.345 -2.661 1.00 0.71 H new ATOM 464 N ASN A 28 23.508 4.252 -3.220 1.00 0.33 N ATOM 465 CA ASN A 28 24.954 4.602 -3.205 1.00 0.36 C ATOM 466 C ASN A 28 25.552 4.409 -4.604 1.00 0.38 C ATOM 467 O ASN A 28 26.528 5.042 -4.956 1.00 0.41 O ATOM 468 CB ASN A 28 25.686 3.711 -2.204 1.00 0.35 C ATOM 469 CG ASN A 28 26.605 4.569 -1.332 1.00 0.39 C ATOM 470 OD1 ASN A 28 27.805 4.584 -1.524 1.00 1.15 O ATOM 471 ND2 ASN A 28 26.088 5.288 -0.373 1.00 0.98 N ATOM 0 H ASN A 28 23.254 3.453 -2.640 1.00 0.33 H new ATOM 0 HA ASN A 28 25.067 5.645 -2.910 1.00 0.36 H new ATOM 0 HB2 ASN A 28 24.967 3.180 -1.580 1.00 0.35 H new ATOM 0 HB3 ASN A 28 26.269 2.956 -2.732 1.00 0.35 H new ATOM 0 HD21 ASN A 28 26.691 5.863 0.215 1.00 0.98 H new ATOM 0 HD22 ASN A 28 25.081 5.275 -0.212 1.00 0.98 H new ATOM 478 N GLN A 29 24.988 3.542 -5.408 1.00 0.38 N ATOM 479 CA GLN A 29 25.547 3.328 -6.771 1.00 0.40 C ATOM 480 C GLN A 29 24.896 4.309 -7.742 1.00 0.43 C ATOM 481 O GLN A 29 25.224 4.352 -8.912 1.00 0.51 O ATOM 482 CB GLN A 29 25.266 1.892 -7.217 1.00 0.40 C ATOM 483 CG GLN A 29 25.768 0.919 -6.148 1.00 0.38 C ATOM 484 CD GLN A 29 25.470 -0.517 -6.580 1.00 0.40 C ATOM 485 OE1 GLN A 29 25.910 -1.457 -5.950 1.00 1.17 O ATOM 486 NE2 GLN A 29 24.735 -0.727 -7.637 1.00 1.10 N ATOM 0 H GLN A 29 24.170 2.978 -5.178 1.00 0.38 H new ATOM 0 HA GLN A 29 26.624 3.494 -6.758 1.00 0.40 H new ATOM 0 HB2 GLN A 29 24.197 1.752 -7.378 1.00 0.40 H new ATOM 0 HB3 GLN A 29 25.760 1.692 -8.168 1.00 0.40 H new ATOM 0 HG2 GLN A 29 26.840 1.049 -5.998 1.00 0.38 H new ATOM 0 HG3 GLN A 29 25.285 1.130 -5.194 1.00 0.38 H new ATOM 0 HE21 GLN A 29 24.365 0.063 -8.166 1.00 1.10 H new ATOM 0 HE22 GLN A 29 24.530 -1.681 -7.934 1.00 1.10 H new ATOM 495 N GLY A 30 23.978 5.101 -7.255 1.00 0.39 N ATOM 496 CA GLY A 30 23.295 6.100 -8.128 1.00 0.42 C ATOM 497 C GLY A 30 21.868 5.640 -8.421 1.00 0.37 C ATOM 498 O GLY A 30 21.214 6.157 -9.301 1.00 0.39 O ATOM 0 H GLY A 30 23.670 5.099 -6.283 1.00 0.39 H new ATOM 0 HA2 GLY A 30 23.280 7.074 -7.639 1.00 0.42 H new ATOM 0 HA3 GLY A 30 23.847 6.220 -9.060 1.00 0.42 H new ATOM 502 N ILE A 31 21.375 4.682 -7.685 1.00 0.33 N ATOM 503 CA ILE A 31 19.983 4.212 -7.934 1.00 0.31 C ATOM 504 C ILE A 31 19.019 5.246 -7.362 1.00 0.28 C ATOM 505 O ILE A 31 18.867 5.370 -6.162 1.00 0.30 O ATOM 506 CB ILE A 31 19.780 2.857 -7.263 1.00 0.30 C ATOM 507 CG1 ILE A 31 20.774 1.853 -7.874 1.00 0.35 C ATOM 508 CG2 ILE A 31 18.334 2.382 -7.437 1.00 0.31 C ATOM 509 CD1 ILE A 31 20.381 1.441 -9.306 1.00 0.35 C ATOM 0 H ILE A 31 21.870 4.208 -6.929 1.00 0.33 H new ATOM 0 HA ILE A 31 19.799 4.097 -9.002 1.00 0.31 H new ATOM 0 HB ILE A 31 19.966 2.941 -6.192 1.00 0.30 H new ATOM 0 HG12 ILE A 31 21.771 2.293 -7.885 1.00 0.35 H new ATOM 0 HG13 ILE A 31 20.825 0.965 -7.244 1.00 0.35 H new ATOM 0 HG21 ILE A 31 18.208 1.414 -6.952 1.00 0.31 H new ATOM 0 HG22 ILE A 31 17.656 3.106 -6.984 1.00 0.31 H new ATOM 0 HG23 ILE A 31 18.107 2.288 -8.499 1.00 0.31 H new ATOM 0 HD11 ILE A 31 21.112 0.732 -9.694 1.00 0.35 H new ATOM 0 HD12 ILE A 31 19.396 0.975 -9.293 1.00 0.35 H new ATOM 0 HD13 ILE A 31 20.357 2.324 -9.945 1.00 0.35 H new ATOM 521 N ASP A 32 18.363 5.991 -8.213 1.00 0.26 N ATOM 522 CA ASP A 32 17.409 7.016 -7.726 1.00 0.27 C ATOM 523 C ASP A 32 15.992 6.447 -7.668 1.00 0.28 C ATOM 524 O ASP A 32 15.230 6.761 -6.774 1.00 0.45 O ATOM 525 CB ASP A 32 17.439 8.224 -8.663 1.00 0.30 C ATOM 526 CG ASP A 32 17.319 7.753 -10.112 1.00 0.72 C ATOM 527 OD1 ASP A 32 16.317 7.136 -10.434 1.00 1.55 O ATOM 528 OD2 ASP A 32 18.232 8.021 -10.875 1.00 1.22 O ATOM 0 H ASP A 32 18.451 5.929 -9.227 1.00 0.26 H new ATOM 0 HA ASP A 32 17.703 7.320 -6.721 1.00 0.27 H new ATOM 0 HB2 ASP A 32 16.622 8.904 -8.422 1.00 0.30 H new ATOM 0 HB3 ASP A 32 18.367 8.780 -8.526 1.00 0.30 H new ATOM 533 N GLU A 33 15.622 5.639 -8.634 1.00 0.26 N ATOM 534 CA GLU A 33 14.250 5.074 -8.657 1.00 0.27 C ATOM 535 C GLU A 33 14.250 3.667 -8.067 1.00 0.23 C ATOM 536 O GLU A 33 15.174 2.903 -8.261 1.00 0.23 O ATOM 537 CB GLU A 33 13.731 5.026 -10.092 1.00 0.29 C ATOM 538 CG GLU A 33 13.206 6.409 -10.479 1.00 0.48 C ATOM 539 CD GLU A 33 13.340 6.610 -11.988 1.00 0.71 C ATOM 540 OE1 GLU A 33 14.462 6.697 -12.457 1.00 1.58 O ATOM 541 OE2 GLU A 33 12.318 6.674 -12.650 1.00 1.15 O ATOM 0 H GLU A 33 16.220 5.350 -9.408 1.00 0.26 H new ATOM 0 HA GLU A 33 13.599 5.712 -8.059 1.00 0.27 H new ATOM 0 HB2 GLU A 33 14.528 4.723 -10.771 1.00 0.29 H new ATOM 0 HB3 GLU A 33 12.938 4.284 -10.181 1.00 0.29 H new ATOM 0 HG2 GLU A 33 12.162 6.508 -10.181 1.00 0.48 H new ATOM 0 HG3 GLU A 33 13.764 7.181 -9.949 1.00 0.48 H new ATOM 548 N VAL A 34 13.229 3.322 -7.332 1.00 0.21 N ATOM 549 CA VAL A 34 13.204 1.966 -6.722 1.00 0.20 C ATOM 550 C VAL A 34 11.763 1.482 -6.506 1.00 0.19 C ATOM 551 O VAL A 34 10.885 2.239 -6.138 1.00 0.20 O ATOM 552 CB VAL A 34 13.950 2.014 -5.387 1.00 0.21 C ATOM 553 CG1 VAL A 34 13.212 2.932 -4.419 1.00 0.54 C ATOM 554 CG2 VAL A 34 14.031 0.606 -4.793 1.00 0.43 C ATOM 0 H VAL A 34 12.422 3.912 -7.130 1.00 0.21 H new ATOM 0 HA VAL A 34 13.690 1.262 -7.398 1.00 0.20 H new ATOM 0 HB VAL A 34 14.957 2.397 -5.552 1.00 0.21 H new ATOM 0 HG11 VAL A 34 13.746 2.964 -3.469 1.00 0.54 H new ATOM 0 HG12 VAL A 34 13.159 3.936 -4.839 1.00 0.54 H new ATOM 0 HG13 VAL A 34 12.203 2.553 -4.256 1.00 0.54 H new ATOM 0 HG21 VAL A 34 14.563 0.642 -3.842 1.00 0.43 H new ATOM 0 HG22 VAL A 34 13.024 0.221 -4.631 1.00 0.43 H new ATOM 0 HG23 VAL A 34 14.564 -0.049 -5.482 1.00 0.43 H new ATOM 564 N ILE A 35 11.528 0.216 -6.767 1.00 0.19 N ATOM 565 CA ILE A 35 10.154 -0.360 -6.614 1.00 0.19 C ATOM 566 C ILE A 35 10.174 -1.500 -5.601 1.00 0.19 C ATOM 567 O ILE A 35 10.977 -2.407 -5.701 1.00 0.20 O ATOM 568 CB ILE A 35 9.694 -0.900 -7.965 1.00 0.19 C ATOM 569 CG1 ILE A 35 10.238 0.024 -9.057 1.00 0.22 C ATOM 570 CG2 ILE A 35 8.161 -0.951 -8.006 1.00 0.19 C ATOM 571 CD1 ILE A 35 9.281 0.061 -10.255 1.00 0.25 C ATOM 0 H ILE A 35 12.236 -0.447 -7.082 1.00 0.19 H new ATOM 0 HA ILE A 35 9.473 0.416 -6.264 1.00 0.19 H new ATOM 0 HB ILE A 35 10.068 -1.911 -8.124 1.00 0.19 H new ATOM 0 HG12 ILE A 35 10.370 1.030 -8.658 1.00 0.22 H new ATOM 0 HG13 ILE A 35 11.220 -0.323 -9.379 1.00 0.22 H new ATOM 0 HG21 ILE A 35 7.836 -1.337 -8.972 1.00 0.19 H new ATOM 0 HG22 ILE A 35 7.797 -1.604 -7.213 1.00 0.19 H new ATOM 0 HG23 ILE A 35 7.760 0.052 -7.862 1.00 0.19 H new ATOM 0 HD11 ILE A 35 9.683 0.723 -11.022 1.00 0.25 H new ATOM 0 HD12 ILE A 35 9.171 -0.943 -10.664 1.00 0.25 H new ATOM 0 HD13 ILE A 35 8.308 0.430 -9.932 1.00 0.25 H new ATOM 583 N LEU A 36 9.286 -1.466 -4.635 1.00 0.21 N ATOM 584 CA LEU A 36 9.240 -2.559 -3.621 1.00 0.23 C ATOM 585 C LEU A 36 7.923 -3.324 -3.727 1.00 0.23 C ATOM 586 O LEU A 36 6.848 -2.758 -3.645 1.00 0.24 O ATOM 587 CB LEU A 36 9.390 -1.993 -2.205 1.00 0.24 C ATOM 588 CG LEU A 36 10.750 -2.440 -1.643 1.00 0.30 C ATOM 589 CD1 LEU A 36 11.876 -1.869 -2.507 1.00 0.40 C ATOM 590 CD2 LEU A 36 10.922 -1.950 -0.206 1.00 0.30 C ATOM 0 H LEU A 36 8.593 -0.728 -4.508 1.00 0.21 H new ATOM 0 HA LEU A 36 10.069 -3.238 -3.819 1.00 0.23 H new ATOM 0 HB2 LEU A 36 9.327 -0.905 -2.223 1.00 0.24 H new ATOM 0 HB3 LEU A 36 8.581 -2.349 -1.567 1.00 0.24 H new ATOM 0 HG LEU A 36 10.790 -3.529 -1.654 1.00 0.30 H new ATOM 0 HD11 LEU A 36 12.839 -2.187 -2.107 1.00 0.40 H new ATOM 0 HD12 LEU A 36 11.770 -2.232 -3.529 1.00 0.40 H new ATOM 0 HD13 LEU A 36 11.823 -0.780 -2.501 1.00 0.40 H new ATOM 0 HD21 LEU A 36 11.890 -2.275 0.176 1.00 0.30 H new ATOM 0 HD22 LEU A 36 10.871 -0.861 -0.184 1.00 0.30 H new ATOM 0 HD23 LEU A 36 10.129 -2.363 0.417 1.00 0.30 H new ATOM 602 N LYS A 37 8.017 -4.618 -3.867 1.00 0.23 N ATOM 603 CA LYS A 37 6.790 -5.463 -3.932 1.00 0.23 C ATOM 604 C LYS A 37 6.569 -6.072 -2.558 1.00 0.18 C ATOM 605 O LYS A 37 7.464 -6.670 -1.998 1.00 0.19 O ATOM 606 CB LYS A 37 6.958 -6.562 -4.988 1.00 0.31 C ATOM 607 CG LYS A 37 6.457 -7.919 -4.471 1.00 1.23 C ATOM 608 CD LYS A 37 6.430 -8.915 -5.632 1.00 1.52 C ATOM 609 CE LYS A 37 5.849 -10.246 -5.150 1.00 2.39 C ATOM 610 NZ LYS A 37 4.362 -10.148 -5.101 1.00 2.74 N ATOM 0 H LYS A 37 8.896 -5.130 -3.940 1.00 0.23 H new ATOM 0 HA LYS A 37 5.928 -4.859 -4.216 1.00 0.23 H new ATOM 0 HB2 LYS A 37 6.409 -6.289 -5.889 1.00 0.31 H new ATOM 0 HB3 LYS A 37 8.009 -6.643 -5.267 1.00 0.31 H new ATOM 0 HG2 LYS A 37 7.109 -8.284 -3.677 1.00 1.23 H new ATOM 0 HG3 LYS A 37 5.461 -7.814 -4.042 1.00 1.23 H new ATOM 0 HD2 LYS A 37 5.829 -8.519 -6.451 1.00 1.52 H new ATOM 0 HD3 LYS A 37 7.438 -9.065 -6.020 1.00 1.52 H new ATOM 0 HE2 LYS A 37 6.150 -11.051 -5.821 1.00 2.39 H new ATOM 0 HE3 LYS A 37 6.241 -10.491 -4.163 1.00 2.39 H new ATOM 0 HZ1 LYS A 37 3.965 -11.052 -4.774 1.00 2.74 H new ATOM 0 HZ2 LYS A 37 4.085 -9.390 -4.444 1.00 2.74 H new ATOM 0 HZ3 LYS A 37 3.997 -9.933 -6.051 1.00 2.74 H new ATOM 624 N GLY A 38 5.398 -5.917 -2.002 1.00 0.18 N ATOM 625 CA GLY A 38 5.142 -6.484 -0.644 1.00 0.21 C ATOM 626 C GLY A 38 3.854 -7.310 -0.642 1.00 0.18 C ATOM 627 O GLY A 38 2.905 -6.993 -1.326 1.00 0.19 O ATOM 0 H GLY A 38 4.611 -5.425 -2.425 1.00 0.18 H new ATOM 0 HA2 GLY A 38 5.982 -7.109 -0.340 1.00 0.21 H new ATOM 0 HA3 GLY A 38 5.065 -5.677 0.085 1.00 0.21 H new ATOM 631 N THR A 39 3.844 -8.393 0.100 1.00 0.20 N ATOM 632 CA THR A 39 2.641 -9.287 0.133 1.00 0.25 C ATOM 633 C THR A 39 2.226 -9.625 1.572 1.00 0.23 C ATOM 634 O THR A 39 3.043 -9.903 2.416 1.00 0.22 O ATOM 635 CB THR A 39 2.979 -10.587 -0.597 1.00 0.28 C ATOM 636 OG1 THR A 39 3.921 -11.325 0.170 1.00 0.43 O ATOM 637 CG2 THR A 39 3.578 -10.262 -1.966 1.00 0.56 C ATOM 0 H THR A 39 4.621 -8.697 0.687 1.00 0.20 H new ATOM 0 HA THR A 39 1.813 -8.766 -0.348 1.00 0.25 H new ATOM 0 HB THR A 39 2.073 -11.178 -0.730 1.00 0.28 H new ATOM 0 HG1 THR A 39 4.139 -12.160 -0.294 1.00 0.43 H new ATOM 0 HG21 THR A 39 3.819 -11.189 -2.487 1.00 0.56 H new ATOM 0 HG22 THR A 39 2.857 -9.693 -2.553 1.00 0.56 H new ATOM 0 HG23 THR A 39 4.485 -9.672 -1.835 1.00 0.56 H new ATOM 645 N GLY A 40 0.942 -9.617 1.832 1.00 0.27 N ATOM 646 CA GLY A 40 0.409 -9.959 3.193 1.00 0.30 C ATOM 647 C GLY A 40 1.332 -9.471 4.318 1.00 0.29 C ATOM 648 O GLY A 40 1.111 -8.431 4.905 1.00 0.33 O ATOM 0 H GLY A 40 0.224 -9.383 1.146 1.00 0.27 H new ATOM 0 HA2 GLY A 40 -0.578 -9.514 3.317 1.00 0.30 H new ATOM 0 HA3 GLY A 40 0.284 -11.039 3.271 1.00 0.30 H new ATOM 652 N ARG A 41 2.350 -10.224 4.640 1.00 0.27 N ATOM 653 CA ARG A 41 3.266 -9.810 5.742 1.00 0.28 C ATOM 654 C ARG A 41 4.303 -8.822 5.212 1.00 0.24 C ATOM 655 O ARG A 41 4.432 -7.724 5.714 1.00 0.25 O ATOM 656 CB ARG A 41 3.967 -11.042 6.325 1.00 0.31 C ATOM 657 CG ARG A 41 3.232 -12.316 5.890 1.00 0.64 C ATOM 658 CD ARG A 41 3.627 -13.479 6.803 1.00 0.92 C ATOM 659 NE ARG A 41 3.821 -14.709 5.987 1.00 1.69 N ATOM 660 CZ ARG A 41 2.786 -15.403 5.597 1.00 2.12 C ATOM 661 NH1 ARG A 41 1.583 -15.016 5.919 1.00 2.03 N ATOM 662 NH2 ARG A 41 2.955 -16.482 4.882 1.00 3.09 N ATOM 0 H ARG A 41 2.587 -11.107 4.188 1.00 0.27 H new ATOM 0 HA ARG A 41 2.685 -9.326 6.527 1.00 0.28 H new ATOM 0 HB2 ARG A 41 5.003 -11.076 5.987 1.00 0.31 H new ATOM 0 HB3 ARG A 41 3.989 -10.978 7.413 1.00 0.31 H new ATOM 0 HG2 ARG A 41 2.154 -12.158 5.933 1.00 0.64 H new ATOM 0 HG3 ARG A 41 3.479 -12.554 4.855 1.00 0.64 H new ATOM 0 HD2 ARG A 41 4.544 -13.238 7.340 1.00 0.92 H new ATOM 0 HD3 ARG A 41 2.853 -13.646 7.552 1.00 0.92 H new ATOM 0 HE ARG A 41 4.762 -15.009 5.733 1.00 1.69 H new ATOM 0 HH11 ARG A 41 1.451 -14.171 6.475 1.00 2.03 H new ATOM 0 HH12 ARG A 41 0.774 -15.558 5.614 1.00 2.03 H new ATOM 0 HH21 ARG A 41 3.896 -16.783 4.628 1.00 3.09 H new ATOM 0 HH22 ARG A 41 2.146 -17.024 4.578 1.00 3.09 H new ATOM 676 N GLU A 42 5.045 -9.191 4.205 1.00 0.21 N ATOM 677 CA GLU A 42 6.060 -8.255 3.666 1.00 0.18 C ATOM 678 C GLU A 42 5.342 -6.979 3.233 1.00 0.17 C ATOM 679 O GLU A 42 5.948 -5.950 2.999 1.00 0.18 O ATOM 680 CB GLU A 42 6.767 -8.886 2.454 1.00 0.16 C ATOM 681 CG GLU A 42 6.273 -10.320 2.226 1.00 0.20 C ATOM 682 CD GLU A 42 6.974 -10.915 1.004 1.00 0.22 C ATOM 683 OE1 GLU A 42 7.328 -10.155 0.119 1.00 1.09 O ATOM 684 OE2 GLU A 42 7.145 -12.123 0.975 1.00 1.06 O ATOM 0 H GLU A 42 4.990 -10.096 3.737 1.00 0.21 H new ATOM 0 HA GLU A 42 6.808 -8.034 4.427 1.00 0.18 H new ATOM 0 HB2 GLU A 42 6.580 -8.285 1.564 1.00 0.16 H new ATOM 0 HB3 GLU A 42 7.845 -8.889 2.616 1.00 0.16 H new ATOM 0 HG2 GLU A 42 6.475 -10.930 3.107 1.00 0.20 H new ATOM 0 HG3 GLU A 42 5.193 -10.324 2.077 1.00 0.20 H new ATOM 691 N ILE A 43 4.044 -7.046 3.114 1.00 0.19 N ATOM 692 CA ILE A 43 3.250 -5.865 2.689 1.00 0.20 C ATOM 693 C ILE A 43 3.514 -4.663 3.604 1.00 0.22 C ATOM 694 O ILE A 43 3.486 -3.530 3.170 1.00 0.24 O ATOM 695 CB ILE A 43 1.766 -6.269 2.720 1.00 0.26 C ATOM 696 CG1 ILE A 43 1.154 -6.016 1.341 1.00 0.40 C ATOM 697 CG2 ILE A 43 0.994 -5.495 3.799 1.00 0.38 C ATOM 698 CD1 ILE A 43 -0.367 -6.185 1.395 1.00 0.87 C ATOM 0 H ILE A 43 3.494 -7.885 3.297 1.00 0.19 H new ATOM 0 HA ILE A 43 3.537 -5.560 1.683 1.00 0.20 H new ATOM 0 HB ILE A 43 1.696 -7.328 2.969 1.00 0.26 H new ATOM 0 HG12 ILE A 43 1.403 -5.010 1.004 1.00 0.40 H new ATOM 0 HG13 ILE A 43 1.578 -6.709 0.615 1.00 0.40 H new ATOM 0 HG21 ILE A 43 -0.051 -5.806 3.792 1.00 0.38 H new ATOM 0 HG22 ILE A 43 1.428 -5.703 4.777 1.00 0.38 H new ATOM 0 HG23 ILE A 43 1.056 -4.426 3.595 1.00 0.38 H new ATOM 0 HD11 ILE A 43 -0.789 -6.002 0.407 1.00 0.87 H new ATOM 0 HD12 ILE A 43 -0.609 -7.200 1.711 1.00 0.87 H new ATOM 0 HD13 ILE A 43 -0.787 -5.474 2.106 1.00 0.87 H new ATOM 710 N SER A 44 3.769 -4.893 4.859 1.00 0.24 N ATOM 711 CA SER A 44 4.028 -3.755 5.780 1.00 0.27 C ATOM 712 C SER A 44 5.515 -3.439 5.739 1.00 0.26 C ATOM 713 O SER A 44 5.930 -2.330 6.007 1.00 0.27 O ATOM 714 CB SER A 44 3.620 -4.137 7.203 1.00 0.31 C ATOM 715 OG SER A 44 2.481 -3.377 7.586 1.00 1.14 O ATOM 0 H SER A 44 3.809 -5.818 5.287 1.00 0.24 H new ATOM 0 HA SER A 44 3.449 -2.884 5.473 1.00 0.27 H new ATOM 0 HB2 SER A 44 3.395 -5.202 7.255 1.00 0.31 H new ATOM 0 HB3 SER A 44 4.444 -3.951 7.892 1.00 0.31 H new ATOM 0 HG SER A 44 2.720 -2.779 8.325 1.00 1.14 H new ATOM 721 N LYS A 45 6.321 -4.389 5.356 1.00 0.25 N ATOM 722 CA LYS A 45 7.763 -4.087 5.254 1.00 0.25 C ATOM 723 C LYS A 45 7.884 -3.005 4.192 1.00 0.23 C ATOM 724 O LYS A 45 8.166 -1.861 4.489 1.00 0.25 O ATOM 725 CB LYS A 45 8.549 -5.334 4.837 1.00 0.24 C ATOM 726 CG LYS A 45 8.963 -6.120 6.084 1.00 0.42 C ATOM 727 CD LYS A 45 7.730 -6.399 6.948 1.00 0.90 C ATOM 728 CE LYS A 45 8.007 -7.590 7.868 1.00 0.82 C ATOM 729 NZ LYS A 45 7.353 -7.360 9.187 1.00 1.86 N ATOM 0 H LYS A 45 6.046 -5.341 5.115 1.00 0.25 H new ATOM 0 HA LYS A 45 8.170 -3.761 6.211 1.00 0.25 H new ATOM 0 HB2 LYS A 45 7.939 -5.960 4.186 1.00 0.24 H new ATOM 0 HB3 LYS A 45 9.432 -5.046 4.266 1.00 0.24 H new ATOM 0 HG2 LYS A 45 9.436 -7.058 5.794 1.00 0.42 H new ATOM 0 HG3 LYS A 45 9.699 -5.554 6.655 1.00 0.42 H new ATOM 0 HD2 LYS A 45 7.482 -5.519 7.541 1.00 0.90 H new ATOM 0 HD3 LYS A 45 6.869 -6.609 6.314 1.00 0.90 H new ATOM 0 HE2 LYS A 45 7.629 -8.507 7.417 1.00 0.82 H new ATOM 0 HE3 LYS A 45 9.081 -7.719 8.000 1.00 0.82 H new ATOM 0 HZ1 LYS A 45 7.541 -8.169 9.813 1.00 1.86 H new ATOM 0 HZ2 LYS A 45 7.734 -6.493 9.617 1.00 1.86 H new ATOM 0 HZ3 LYS A 45 6.327 -7.257 9.052 1.00 1.86 H new ATOM 743 N ALA A 46 7.687 -3.381 2.953 1.00 0.22 N ATOM 744 CA ALA A 46 7.791 -2.405 1.822 1.00 0.23 C ATOM 745 C ALA A 46 7.324 -1.012 2.264 1.00 0.22 C ATOM 746 O ALA A 46 7.982 -0.022 2.016 1.00 0.29 O ATOM 747 CB ALA A 46 6.933 -2.886 0.651 1.00 0.25 C ATOM 0 H ALA A 46 7.456 -4.334 2.673 1.00 0.22 H new ATOM 0 HA ALA A 46 8.834 -2.340 1.512 1.00 0.23 H new ATOM 0 HB1 ALA A 46 7.009 -2.175 -0.172 1.00 0.25 H new ATOM 0 HB2 ALA A 46 7.284 -3.863 0.320 1.00 0.25 H new ATOM 0 HB3 ALA A 46 5.893 -2.963 0.969 1.00 0.25 H new ATOM 753 N VAL A 47 6.205 -0.928 2.929 1.00 0.17 N ATOM 754 CA VAL A 47 5.714 0.404 3.395 1.00 0.17 C ATOM 755 C VAL A 47 6.672 0.954 4.453 1.00 0.17 C ATOM 756 O VAL A 47 7.281 1.990 4.277 1.00 0.16 O ATOM 757 CB VAL A 47 4.314 0.267 4.001 1.00 0.18 C ATOM 758 CG1 VAL A 47 3.857 1.621 4.558 1.00 0.22 C ATOM 759 CG2 VAL A 47 3.344 -0.197 2.914 1.00 0.20 C ATOM 0 H VAL A 47 5.609 -1.720 3.170 1.00 0.17 H new ATOM 0 HA VAL A 47 5.669 1.085 2.545 1.00 0.17 H new ATOM 0 HB VAL A 47 4.334 -0.462 4.811 1.00 0.18 H new ATOM 0 HG11 VAL A 47 2.861 1.520 4.988 1.00 0.22 H new ATOM 0 HG12 VAL A 47 4.553 1.951 5.329 1.00 0.22 H new ATOM 0 HG13 VAL A 47 3.832 2.356 3.753 1.00 0.22 H new ATOM 0 HG21 VAL A 47 2.344 -0.297 3.337 1.00 0.20 H new ATOM 0 HG22 VAL A 47 3.325 0.535 2.107 1.00 0.20 H new ATOM 0 HG23 VAL A 47 3.670 -1.160 2.522 1.00 0.20 H new ATOM 769 N ASP A 48 6.815 0.264 5.550 1.00 0.20 N ATOM 770 CA ASP A 48 7.738 0.743 6.616 1.00 0.23 C ATOM 771 C ASP A 48 9.098 1.044 5.992 1.00 0.24 C ATOM 772 O ASP A 48 9.631 2.126 6.127 1.00 0.26 O ATOM 773 CB ASP A 48 7.910 -0.347 7.675 1.00 0.26 C ATOM 774 CG ASP A 48 8.617 0.238 8.900 1.00 0.44 C ATOM 775 OD1 ASP A 48 9.784 0.574 8.782 1.00 1.26 O ATOM 776 OD2 ASP A 48 7.979 0.341 9.935 1.00 1.11 O ATOM 0 H ASP A 48 6.332 -0.611 5.754 1.00 0.20 H new ATOM 0 HA ASP A 48 7.327 1.640 7.079 1.00 0.23 H new ATOM 0 HB2 ASP A 48 6.938 -0.748 7.960 1.00 0.26 H new ATOM 0 HB3 ASP A 48 8.490 -1.176 7.268 1.00 0.26 H new ATOM 781 N VAL A 49 9.650 0.077 5.310 1.00 0.26 N ATOM 782 CA VAL A 49 10.977 0.269 4.656 1.00 0.30 C ATOM 783 C VAL A 49 11.000 1.647 4.000 1.00 0.29 C ATOM 784 O VAL A 49 11.841 2.477 4.284 1.00 0.29 O ATOM 785 CB VAL A 49 11.178 -0.801 3.577 1.00 0.37 C ATOM 786 CG1 VAL A 49 12.571 -0.659 2.960 1.00 1.06 C ATOM 787 CG2 VAL A 49 11.038 -2.196 4.191 1.00 0.95 C ATOM 0 H VAL A 49 9.235 -0.845 5.177 1.00 0.26 H new ATOM 0 HA VAL A 49 11.771 0.188 5.399 1.00 0.30 H new ATOM 0 HB VAL A 49 10.421 -0.668 2.804 1.00 0.37 H new ATOM 0 HG11 VAL A 49 12.709 -1.422 2.194 1.00 1.06 H new ATOM 0 HG12 VAL A 49 12.671 0.329 2.511 1.00 1.06 H new ATOM 0 HG13 VAL A 49 13.327 -0.783 3.736 1.00 1.06 H new ATOM 0 HG21 VAL A 49 11.182 -2.950 3.417 1.00 0.95 H new ATOM 0 HG22 VAL A 49 11.789 -2.327 4.970 1.00 0.95 H new ATOM 0 HG23 VAL A 49 10.043 -2.305 4.623 1.00 0.95 H new ATOM 797 N TYR A 50 10.082 1.878 3.111 1.00 0.31 N ATOM 798 CA TYR A 50 10.014 3.178 2.396 1.00 0.34 C ATOM 799 C TYR A 50 9.764 4.328 3.373 1.00 0.30 C ATOM 800 O TYR A 50 10.467 5.318 3.366 1.00 0.30 O ATOM 801 CB TYR A 50 8.876 3.096 1.388 1.00 0.40 C ATOM 802 CG TYR A 50 9.389 2.551 0.073 1.00 1.14 C ATOM 803 CD1 TYR A 50 10.444 1.619 0.026 1.00 2.13 C ATOM 804 CD2 TYR A 50 8.810 2.994 -1.108 1.00 1.88 C ATOM 805 CE1 TYR A 50 10.902 1.148 -1.208 1.00 2.97 C ATOM 806 CE2 TYR A 50 9.266 2.518 -2.338 1.00 2.70 C ATOM 807 CZ TYR A 50 10.312 1.597 -2.390 1.00 3.06 C ATOM 808 OH TYR A 50 10.762 1.134 -3.610 1.00 4.02 O ATOM 0 H TYR A 50 9.361 1.208 2.844 1.00 0.31 H new ATOM 0 HA TYR A 50 10.962 3.372 1.894 1.00 0.34 H new ATOM 0 HB2 TYR A 50 8.084 2.454 1.773 1.00 0.40 H new ATOM 0 HB3 TYR A 50 8.441 4.084 1.237 1.00 0.40 H new ATOM 0 HD1 TYR A 50 10.898 1.269 0.941 1.00 2.13 H new ATOM 0 HD2 TYR A 50 8.003 3.711 -1.075 1.00 1.88 H new ATOM 0 HE1 TYR A 50 11.713 0.436 -1.246 1.00 2.97 H new ATOM 0 HE2 TYR A 50 8.807 2.864 -3.253 1.00 2.70 H new ATOM 0 HH TYR A 50 10.395 1.692 -4.327 1.00 4.02 H new ATOM 818 N ASN A 51 8.778 4.213 4.216 1.00 0.30 N ATOM 819 CA ASN A 51 8.508 5.303 5.183 1.00 0.30 C ATOM 820 C ASN A 51 9.779 5.545 5.975 1.00 0.29 C ATOM 821 O ASN A 51 10.239 6.659 6.128 1.00 0.29 O ATOM 822 CB ASN A 51 7.391 4.878 6.131 1.00 0.32 C ATOM 823 CG ASN A 51 7.154 5.987 7.157 1.00 0.61 C ATOM 824 OD1 ASN A 51 6.163 6.687 7.095 1.00 1.34 O ATOM 825 ND2 ASN A 51 8.029 6.178 8.106 1.00 1.28 N ATOM 0 H ASN A 51 8.150 3.411 4.275 1.00 0.30 H new ATOM 0 HA ASN A 51 8.202 6.210 4.662 1.00 0.30 H new ATOM 0 HB2 ASN A 51 6.477 4.683 5.571 1.00 0.32 H new ATOM 0 HB3 ASN A 51 7.660 3.950 6.636 1.00 0.32 H new ATOM 0 HD21 ASN A 51 7.881 6.915 8.796 1.00 1.28 H new ATOM 0 HD22 ASN A 51 8.861 5.590 8.158 1.00 1.28 H new ATOM 832 N SER A 52 10.343 4.493 6.485 1.00 0.30 N ATOM 833 CA SER A 52 11.583 4.634 7.279 1.00 0.30 C ATOM 834 C SER A 52 12.656 5.258 6.391 1.00 0.29 C ATOM 835 O SER A 52 13.480 6.028 6.843 1.00 0.28 O ATOM 836 CB SER A 52 12.054 3.269 7.765 1.00 0.33 C ATOM 837 OG SER A 52 11.911 2.318 6.718 1.00 1.04 O ATOM 0 H SER A 52 9.996 3.539 6.385 1.00 0.30 H new ATOM 0 HA SER A 52 11.394 5.266 8.147 1.00 0.30 H new ATOM 0 HB2 SER A 52 13.096 3.323 8.082 1.00 0.33 H new ATOM 0 HB3 SER A 52 11.473 2.960 8.634 1.00 0.33 H new ATOM 0 HG SER A 52 12.327 2.665 5.902 1.00 1.04 H new ATOM 843 N LEU A 53 12.640 4.948 5.120 1.00 0.28 N ATOM 844 CA LEU A 53 13.638 5.534 4.192 1.00 0.28 C ATOM 845 C LEU A 53 13.190 6.948 3.852 1.00 0.26 C ATOM 846 O LEU A 53 13.974 7.793 3.473 1.00 0.26 O ATOM 847 CB LEU A 53 13.681 4.699 2.908 1.00 0.28 C ATOM 848 CG LEU A 53 14.623 5.344 1.887 1.00 0.29 C ATOM 849 CD1 LEU A 53 16.033 5.444 2.467 1.00 0.44 C ATOM 850 CD2 LEU A 53 14.652 4.491 0.617 1.00 0.40 C ATOM 0 H LEU A 53 11.972 4.310 4.688 1.00 0.28 H new ATOM 0 HA LEU A 53 14.627 5.545 4.651 1.00 0.28 H new ATOM 0 HB2 LEU A 53 14.017 3.687 3.135 1.00 0.28 H new ATOM 0 HB3 LEU A 53 12.679 4.615 2.487 1.00 0.28 H new ATOM 0 HG LEU A 53 14.265 6.346 1.650 1.00 0.29 H new ATOM 0 HD11 LEU A 53 16.696 5.904 1.734 1.00 0.44 H new ATOM 0 HD12 LEU A 53 16.012 6.053 3.370 1.00 0.44 H new ATOM 0 HD13 LEU A 53 16.398 4.446 2.711 1.00 0.44 H new ATOM 0 HD21 LEU A 53 15.322 4.947 -0.112 1.00 0.40 H new ATOM 0 HD22 LEU A 53 15.007 3.489 0.859 1.00 0.40 H new ATOM 0 HD23 LEU A 53 13.648 4.428 0.198 1.00 0.40 H new ATOM 862 N LYS A 54 11.944 7.242 4.047 1.00 0.26 N ATOM 863 CA LYS A 54 11.473 8.614 3.781 1.00 0.27 C ATOM 864 C LYS A 54 11.840 9.413 5.009 1.00 0.29 C ATOM 865 O LYS A 54 12.383 10.501 4.944 1.00 0.28 O ATOM 866 CB LYS A 54 9.951 8.583 3.612 1.00 0.30 C ATOM 867 CG LYS A 54 9.456 9.834 2.873 1.00 0.55 C ATOM 868 CD LYS A 54 9.301 11.002 3.851 1.00 0.27 C ATOM 869 CE LYS A 54 8.652 12.184 3.126 1.00 0.36 C ATOM 870 NZ LYS A 54 7.351 12.507 3.776 1.00 1.00 N ATOM 0 H LYS A 54 11.233 6.591 4.379 1.00 0.26 H new ATOM 0 HA LYS A 54 11.913 9.044 2.881 1.00 0.27 H new ATOM 0 HB2 LYS A 54 9.661 7.690 3.058 1.00 0.30 H new ATOM 0 HB3 LYS A 54 9.474 8.521 4.590 1.00 0.30 H new ATOM 0 HG2 LYS A 54 10.160 10.102 2.085 1.00 0.55 H new ATOM 0 HG3 LYS A 54 8.501 9.626 2.390 1.00 0.55 H new ATOM 0 HD2 LYS A 54 8.689 10.701 4.701 1.00 0.27 H new ATOM 0 HD3 LYS A 54 10.274 11.293 4.246 1.00 0.27 H new ATOM 0 HE2 LYS A 54 9.312 13.051 3.157 1.00 0.36 H new ATOM 0 HE3 LYS A 54 8.496 11.939 2.075 1.00 0.36 H new ATOM 0 HZ1 LYS A 54 6.908 13.310 3.285 1.00 1.00 H new ATOM 0 HZ2 LYS A 54 6.722 11.680 3.725 1.00 1.00 H new ATOM 0 HZ3 LYS A 54 7.513 12.757 4.772 1.00 1.00 H new ATOM 884 N ASP A 55 11.579 8.830 6.135 1.00 0.34 N ATOM 885 CA ASP A 55 11.923 9.467 7.413 1.00 0.38 C ATOM 886 C ASP A 55 13.431 9.696 7.422 1.00 0.40 C ATOM 887 O ASP A 55 13.976 10.313 8.315 1.00 0.47 O ATOM 888 CB ASP A 55 11.523 8.515 8.538 1.00 0.43 C ATOM 889 CG ASP A 55 12.389 8.771 9.770 1.00 0.85 C ATOM 890 OD1 ASP A 55 12.519 9.924 10.146 1.00 1.48 O ATOM 891 OD2 ASP A 55 12.902 7.811 10.320 1.00 1.58 O ATOM 0 H ASP A 55 11.131 7.918 6.220 1.00 0.34 H new ATOM 0 HA ASP A 55 11.407 10.418 7.547 1.00 0.38 H new ATOM 0 HB2 ASP A 55 10.471 8.655 8.787 1.00 0.43 H new ATOM 0 HB3 ASP A 55 11.639 7.482 8.210 1.00 0.43 H new ATOM 896 N ARG A 56 14.110 9.201 6.416 1.00 0.36 N ATOM 897 CA ARG A 56 15.580 9.389 6.349 1.00 0.40 C ATOM 898 C ARG A 56 15.885 10.844 6.038 1.00 0.40 C ATOM 899 O ARG A 56 16.705 11.472 6.679 1.00 0.43 O ATOM 900 CB ARG A 56 16.135 8.536 5.219 1.00 0.44 C ATOM 901 CG ARG A 56 17.584 8.163 5.515 1.00 0.81 C ATOM 902 CD ARG A 56 17.625 6.890 6.365 1.00 0.67 C ATOM 903 NE ARG A 56 18.962 6.780 7.017 1.00 1.00 N ATOM 904 CZ ARG A 56 19.172 7.283 8.208 1.00 1.24 C ATOM 905 NH1 ARG A 56 18.207 7.871 8.863 1.00 1.52 N ATOM 906 NH2 ARG A 56 20.357 7.197 8.745 1.00 1.69 N ATOM 0 H ARG A 56 13.704 8.676 5.642 1.00 0.36 H new ATOM 0 HA ARG A 56 16.028 9.104 7.301 1.00 0.40 H new ATOM 0 HB2 ARG A 56 15.534 7.634 5.104 1.00 0.44 H new ATOM 0 HB3 ARG A 56 16.076 9.081 4.277 1.00 0.44 H new ATOM 0 HG2 ARG A 56 18.127 8.007 4.583 1.00 0.81 H new ATOM 0 HG3 ARG A 56 18.080 8.979 6.041 1.00 0.81 H new ATOM 0 HD2 ARG A 56 16.840 6.917 7.120 1.00 0.67 H new ATOM 0 HD3 ARG A 56 17.438 6.016 5.742 1.00 0.67 H new ATOM 0 HE ARG A 56 19.723 6.307 6.529 1.00 1.00 H new ATOM 0 HH11 ARG A 56 17.278 7.942 8.448 1.00 1.52 H new ATOM 0 HH12 ARG A 56 18.382 8.259 9.790 1.00 1.52 H new ATOM 0 HH21 ARG A 56 21.115 6.740 8.238 1.00 1.69 H new ATOM 0 HH22 ARG A 56 20.526 7.587 9.672 1.00 1.69 H new ATOM 920 N LEU A 57 15.244 11.381 5.041 1.00 0.38 N ATOM 921 CA LEU A 57 15.516 12.791 4.675 1.00 0.42 C ATOM 922 C LEU A 57 14.283 13.419 4.038 1.00 0.39 C ATOM 923 O LEU A 57 14.132 14.622 4.047 1.00 0.41 O ATOM 924 CB LEU A 57 16.682 12.843 3.688 1.00 0.51 C ATOM 925 CG LEU A 57 17.860 13.576 4.330 1.00 1.11 C ATOM 926 CD1 LEU A 57 19.080 13.463 3.421 1.00 1.63 C ATOM 927 CD2 LEU A 57 17.502 15.052 4.518 1.00 1.66 C ATOM 0 H LEU A 57 14.547 10.906 4.468 1.00 0.38 H new ATOM 0 HA LEU A 57 15.770 13.349 5.577 1.00 0.42 H new ATOM 0 HB2 LEU A 57 16.979 11.833 3.405 1.00 0.51 H new ATOM 0 HB3 LEU A 57 16.377 13.353 2.774 1.00 0.51 H new ATOM 0 HG LEU A 57 18.082 13.130 5.299 1.00 1.11 H new ATOM 0 HD11 LEU A 57 19.922 13.985 3.876 1.00 1.63 H new ATOM 0 HD12 LEU A 57 19.335 12.412 3.284 1.00 1.63 H new ATOM 0 HD13 LEU A 57 18.855 13.911 2.453 1.00 1.63 H new ATOM 0 HD21 LEU A 57 18.342 15.575 4.976 1.00 1.66 H new ATOM 0 HD22 LEU A 57 17.281 15.499 3.549 1.00 1.66 H new ATOM 0 HD23 LEU A 57 16.628 15.135 5.164 1.00 1.66 H new ATOM 939 N GLY A 58 13.387 12.627 3.508 1.00 0.39 N ATOM 940 CA GLY A 58 12.159 13.204 2.891 1.00 0.38 C ATOM 941 C GLY A 58 12.523 14.060 1.678 1.00 0.33 C ATOM 942 O GLY A 58 11.941 13.931 0.619 1.00 0.31 O ATOM 0 H GLY A 58 13.453 11.610 3.476 1.00 0.39 H new ATOM 0 HA2 GLY A 58 11.485 12.402 2.589 1.00 0.38 H new ATOM 0 HA3 GLY A 58 11.626 13.809 3.624 1.00 0.38 H new ATOM 946 N ASP A 59 13.463 14.948 1.826 1.00 0.37 N ATOM 947 CA ASP A 59 13.848 15.832 0.689 1.00 0.38 C ATOM 948 C ASP A 59 14.644 15.040 -0.337 1.00 0.30 C ATOM 949 O ASP A 59 14.408 15.133 -1.523 1.00 0.32 O ATOM 950 CB ASP A 59 14.698 16.991 1.211 1.00 0.47 C ATOM 951 CG ASP A 59 14.135 18.314 0.686 1.00 0.57 C ATOM 952 OD1 ASP A 59 13.131 18.760 1.218 1.00 1.38 O ATOM 953 OD2 ASP A 59 14.717 18.858 -0.237 1.00 1.06 O ATOM 0 H ASP A 59 13.985 15.102 2.689 1.00 0.37 H new ATOM 0 HA ASP A 59 12.946 16.223 0.217 1.00 0.38 H new ATOM 0 HB2 ASP A 59 14.701 16.992 2.301 1.00 0.47 H new ATOM 0 HB3 ASP A 59 15.733 16.871 0.890 1.00 0.47 H new ATOM 958 N GLY A 60 15.584 14.262 0.107 1.00 0.26 N ATOM 959 CA GLY A 60 16.392 13.466 -0.845 1.00 0.24 C ATOM 960 C GLY A 60 15.656 12.169 -1.150 1.00 0.23 C ATOM 961 O GLY A 60 16.259 11.167 -1.461 1.00 0.24 O ATOM 0 H GLY A 60 15.827 14.143 1.090 1.00 0.26 H new ATOM 0 HA2 GLY A 60 16.558 14.030 -1.763 1.00 0.24 H new ATOM 0 HA3 GLY A 60 17.373 13.252 -0.420 1.00 0.24 H new ATOM 965 N VAL A 61 14.352 12.172 -1.058 1.00 0.22 N ATOM 966 CA VAL A 61 13.572 10.940 -1.335 1.00 0.22 C ATOM 967 C VAL A 61 12.190 11.372 -1.838 1.00 0.22 C ATOM 968 O VAL A 61 11.551 12.221 -1.250 1.00 0.28 O ATOM 969 CB VAL A 61 13.405 10.140 -0.038 1.00 0.25 C ATOM 970 CG1 VAL A 61 12.210 9.195 -0.169 1.00 0.34 C ATOM 971 CG2 VAL A 61 14.669 9.323 0.236 1.00 0.38 C ATOM 0 H VAL A 61 13.793 12.985 -0.800 1.00 0.22 H new ATOM 0 HA VAL A 61 14.081 10.321 -2.074 1.00 0.22 H new ATOM 0 HB VAL A 61 13.236 10.831 0.788 1.00 0.25 H new ATOM 0 HG11 VAL A 61 12.093 8.627 0.754 1.00 0.34 H new ATOM 0 HG12 VAL A 61 11.306 9.775 -0.356 1.00 0.34 H new ATOM 0 HG13 VAL A 61 12.378 8.508 -0.999 1.00 0.34 H new ATOM 0 HG21 VAL A 61 14.543 8.757 1.159 1.00 0.38 H new ATOM 0 HG22 VAL A 61 14.844 8.635 -0.591 1.00 0.38 H new ATOM 0 HG23 VAL A 61 15.522 9.994 0.335 1.00 0.38 H new ATOM 981 N GLN A 62 11.755 10.834 -2.944 1.00 0.20 N ATOM 982 CA GLN A 62 10.445 11.252 -3.520 1.00 0.21 C ATOM 983 C GLN A 62 9.614 10.051 -3.951 1.00 0.22 C ATOM 984 O GLN A 62 10.119 8.985 -4.215 1.00 0.21 O ATOM 985 CB GLN A 62 10.715 12.094 -4.758 1.00 0.23 C ATOM 986 CG GLN A 62 10.458 13.559 -4.450 1.00 0.34 C ATOM 987 CD GLN A 62 8.951 13.815 -4.382 1.00 0.50 C ATOM 988 OE1 GLN A 62 8.449 14.296 -3.385 1.00 1.14 O ATOM 989 NE2 GLN A 62 8.204 13.511 -5.408 1.00 1.31 N ATOM 0 H GLN A 62 12.252 10.120 -3.476 1.00 0.20 H new ATOM 0 HA GLN A 62 9.897 11.805 -2.757 1.00 0.21 H new ATOM 0 HB2 GLN A 62 11.746 11.957 -5.084 1.00 0.23 H new ATOM 0 HB3 GLN A 62 10.075 11.768 -5.578 1.00 0.23 H new ATOM 0 HG2 GLN A 62 10.926 13.829 -3.503 1.00 0.34 H new ATOM 0 HG3 GLN A 62 10.909 14.187 -5.219 1.00 0.34 H new ATOM 0 HE21 GLN A 62 8.626 13.107 -6.244 1.00 1.31 H new ATOM 0 HE22 GLN A 62 7.198 13.677 -5.374 1.00 1.31 H new ATOM 998 N LEU A 63 8.331 10.243 -4.040 1.00 0.25 N ATOM 999 CA LEU A 63 7.418 9.154 -4.478 1.00 0.26 C ATOM 1000 C LEU A 63 7.129 9.335 -5.968 1.00 0.29 C ATOM 1001 O LEU A 63 6.499 10.296 -6.364 1.00 0.34 O ATOM 1002 CB LEU A 63 6.110 9.248 -3.684 1.00 0.29 C ATOM 1003 CG LEU A 63 5.155 8.127 -4.109 1.00 0.29 C ATOM 1004 CD1 LEU A 63 4.487 7.531 -2.867 1.00 0.49 C ATOM 1005 CD2 LEU A 63 4.077 8.691 -5.041 1.00 0.48 C ATOM 0 H LEU A 63 7.867 11.125 -3.824 1.00 0.25 H new ATOM 0 HA LEU A 63 7.875 8.180 -4.305 1.00 0.26 H new ATOM 0 HB2 LEU A 63 6.317 9.175 -2.616 1.00 0.29 H new ATOM 0 HB3 LEU A 63 5.642 10.218 -3.852 1.00 0.29 H new ATOM 0 HG LEU A 63 5.718 7.354 -4.632 1.00 0.29 H new ATOM 0 HD11 LEU A 63 3.807 6.733 -3.167 1.00 0.49 H new ATOM 0 HD12 LEU A 63 5.250 7.127 -2.202 1.00 0.49 H new ATOM 0 HD13 LEU A 63 3.927 8.308 -2.347 1.00 0.49 H new ATOM 0 HD21 LEU A 63 3.400 7.891 -5.341 1.00 0.48 H new ATOM 0 HD22 LEU A 63 3.515 9.466 -4.520 1.00 0.48 H new ATOM 0 HD23 LEU A 63 4.548 9.118 -5.926 1.00 0.48 H new ATOM 1017 N VAL A 64 7.577 8.434 -6.798 1.00 0.29 N ATOM 1018 CA VAL A 64 7.310 8.581 -8.261 1.00 0.33 C ATOM 1019 C VAL A 64 6.076 7.779 -8.629 1.00 0.32 C ATOM 1020 O VAL A 64 5.430 8.049 -9.621 1.00 0.37 O ATOM 1021 CB VAL A 64 8.471 8.069 -9.113 1.00 0.36 C ATOM 1022 CG1 VAL A 64 9.247 9.255 -9.689 1.00 1.12 C ATOM 1023 CG2 VAL A 64 9.391 7.168 -8.284 1.00 1.35 C ATOM 0 H VAL A 64 8.112 7.608 -6.532 1.00 0.29 H new ATOM 0 HA VAL A 64 7.172 9.644 -8.459 1.00 0.33 H new ATOM 0 HB VAL A 64 8.074 7.474 -9.936 1.00 0.36 H new ATOM 0 HG11 VAL A 64 10.074 8.888 -10.296 1.00 1.12 H new ATOM 0 HG12 VAL A 64 8.583 9.859 -10.308 1.00 1.12 H new ATOM 0 HG13 VAL A 64 9.637 9.865 -8.874 1.00 1.12 H new ATOM 0 HG21 VAL A 64 10.211 6.813 -8.908 1.00 1.35 H new ATOM 0 HG22 VAL A 64 9.793 7.733 -7.443 1.00 1.35 H new ATOM 0 HG23 VAL A 64 8.825 6.315 -7.910 1.00 1.35 H new ATOM 1033 N ASN A 65 5.732 6.784 -7.859 1.00 0.28 N ATOM 1034 CA ASN A 65 4.535 5.988 -8.218 1.00 0.29 C ATOM 1035 C ASN A 65 4.192 5.030 -7.078 1.00 0.26 C ATOM 1036 O ASN A 65 5.024 4.696 -6.258 1.00 0.24 O ATOM 1037 CB ASN A 65 4.861 5.197 -9.475 1.00 0.30 C ATOM 1038 CG ASN A 65 4.015 5.714 -10.641 1.00 0.38 C ATOM 1039 OD1 ASN A 65 4.546 6.136 -11.649 1.00 1.20 O ATOM 1040 ND2 ASN A 65 2.714 5.698 -10.546 1.00 0.98 N ATOM 0 H ASN A 65 6.221 6.494 -7.012 1.00 0.28 H new ATOM 0 HA ASN A 65 3.680 6.642 -8.391 1.00 0.29 H new ATOM 0 HB2 ASN A 65 5.921 5.291 -9.712 1.00 0.30 H new ATOM 0 HB3 ASN A 65 4.664 4.137 -9.311 1.00 0.30 H new ATOM 0 HD21 ASN A 65 2.142 6.040 -11.318 1.00 0.98 H new ATOM 0 HD22 ASN A 65 2.269 5.344 -9.699 1.00 0.98 H new ATOM 1047 N VAL A 66 2.964 4.601 -7.011 1.00 0.27 N ATOM 1048 CA VAL A 66 2.556 3.684 -5.923 1.00 0.25 C ATOM 1049 C VAL A 66 1.229 3.013 -6.287 1.00 0.26 C ATOM 1050 O VAL A 66 0.304 3.650 -6.745 1.00 0.29 O ATOM 1051 CB VAL A 66 2.393 4.494 -4.638 1.00 0.28 C ATOM 1052 CG1 VAL A 66 1.334 5.580 -4.834 1.00 0.85 C ATOM 1053 CG2 VAL A 66 1.969 3.569 -3.502 1.00 0.63 C ATOM 0 H VAL A 66 2.225 4.850 -7.668 1.00 0.27 H new ATOM 0 HA VAL A 66 3.313 2.913 -5.780 1.00 0.25 H new ATOM 0 HB VAL A 66 3.345 4.964 -4.391 1.00 0.28 H new ATOM 0 HG11 VAL A 66 1.225 6.152 -3.913 1.00 0.85 H new ATOM 0 HG12 VAL A 66 1.641 6.246 -5.641 1.00 0.85 H new ATOM 0 HG13 VAL A 66 0.381 5.117 -5.089 1.00 0.85 H new ATOM 0 HG21 VAL A 66 1.853 4.148 -2.586 1.00 0.63 H new ATOM 0 HG22 VAL A 66 1.021 3.094 -3.754 1.00 0.63 H new ATOM 0 HG23 VAL A 66 2.730 2.803 -3.353 1.00 0.63 H new ATOM 1063 N GLN A 67 1.151 1.724 -6.116 1.00 0.25 N ATOM 1064 CA GLN A 67 -0.107 1.012 -6.475 1.00 0.27 C ATOM 1065 C GLN A 67 -0.369 -0.156 -5.533 1.00 0.25 C ATOM 1066 O GLN A 67 0.496 -0.617 -4.815 1.00 0.25 O ATOM 1067 CB GLN A 67 -0.011 0.485 -7.906 1.00 0.28 C ATOM 1068 CG GLN A 67 -1.323 -0.211 -8.280 1.00 0.39 C ATOM 1069 CD GLN A 67 -1.446 -0.290 -9.802 1.00 0.60 C ATOM 1070 OE1 GLN A 67 -0.750 -1.055 -10.440 1.00 1.07 O ATOM 1071 NE2 GLN A 67 -2.307 0.474 -10.416 1.00 1.41 N ATOM 0 H GLN A 67 1.897 1.136 -5.746 1.00 0.25 H new ATOM 0 HA GLN A 67 -0.930 1.721 -6.389 1.00 0.27 H new ATOM 0 HB2 GLN A 67 0.188 1.306 -8.595 1.00 0.28 H new ATOM 0 HB3 GLN A 67 0.822 -0.213 -7.993 1.00 0.28 H new ATOM 0 HG2 GLN A 67 -1.350 -1.212 -7.850 1.00 0.39 H new ATOM 0 HG3 GLN A 67 -2.169 0.337 -7.865 1.00 0.39 H new ATOM 0 HE21 GLN A 67 -2.891 1.116 -9.881 1.00 1.41 H new ATOM 0 HE22 GLN A 67 -2.396 0.429 -11.431 1.00 1.41 H new ATOM 1080 N THR A 68 -1.584 -0.621 -5.540 1.00 0.26 N ATOM 1081 CA THR A 68 -1.973 -1.750 -4.661 1.00 0.27 C ATOM 1082 C THR A 68 -2.868 -2.690 -5.446 1.00 0.30 C ATOM 1083 O THR A 68 -3.624 -2.276 -6.301 1.00 0.43 O ATOM 1084 CB THR A 68 -2.753 -1.214 -3.457 1.00 0.35 C ATOM 1085 OG1 THR A 68 -3.158 0.122 -3.714 1.00 0.52 O ATOM 1086 CG2 THR A 68 -1.870 -1.253 -2.216 1.00 0.46 C ATOM 0 H THR A 68 -2.335 -0.259 -6.128 1.00 0.26 H new ATOM 0 HA THR A 68 -1.082 -2.274 -4.316 1.00 0.27 H new ATOM 0 HB THR A 68 -3.634 -1.834 -3.290 1.00 0.35 H new ATOM 0 HG1 THR A 68 -2.855 0.702 -2.984 1.00 0.52 H new ATOM 0 HG21 THR A 68 -2.427 -0.871 -1.361 1.00 0.46 H new ATOM 0 HG22 THR A 68 -1.563 -2.280 -2.020 1.00 0.46 H new ATOM 0 HG23 THR A 68 -0.987 -0.635 -2.378 1.00 0.46 H new ATOM 1094 N GLY A 69 -2.818 -3.950 -5.142 1.00 0.29 N ATOM 1095 CA GLY A 69 -3.695 -4.933 -5.845 1.00 0.38 C ATOM 1096 C GLY A 69 -3.503 -6.296 -5.169 1.00 0.31 C ATOM 1097 O GLY A 69 -2.537 -6.492 -4.469 1.00 0.40 O ATOM 0 H GLY A 69 -2.205 -4.350 -4.432 1.00 0.29 H new ATOM 0 HA2 GLY A 69 -4.738 -4.622 -5.790 1.00 0.38 H new ATOM 0 HA3 GLY A 69 -3.435 -4.990 -6.902 1.00 0.38 H new ATOM 1101 N SER A 70 -4.422 -7.218 -5.334 1.00 0.42 N ATOM 1102 CA SER A 70 -4.273 -8.557 -4.682 1.00 0.34 C ATOM 1103 C SER A 70 -3.799 -9.601 -5.698 1.00 0.32 C ATOM 1104 O SER A 70 -3.981 -9.449 -6.889 1.00 0.33 O ATOM 1105 CB SER A 70 -5.609 -8.997 -4.084 1.00 0.32 C ATOM 1106 OG SER A 70 -6.463 -9.449 -5.128 1.00 0.34 O ATOM 0 H SER A 70 -5.268 -7.101 -5.892 1.00 0.42 H new ATOM 0 HA SER A 70 -3.529 -8.473 -3.890 1.00 0.34 H new ATOM 0 HB2 SER A 70 -5.451 -9.794 -3.357 1.00 0.32 H new ATOM 0 HB3 SER A 70 -6.074 -8.167 -3.552 1.00 0.32 H new ATOM 0 HG SER A 70 -7.296 -9.792 -4.743 1.00 0.34 H new ATOM 1112 N GLU A 71 -3.223 -10.683 -5.230 1.00 0.33 N ATOM 1113 CA GLU A 71 -2.767 -11.745 -6.174 1.00 0.35 C ATOM 1114 C GLU A 71 -2.734 -13.095 -5.474 1.00 0.35 C ATOM 1115 O GLU A 71 -2.974 -13.205 -4.289 1.00 0.33 O ATOM 1116 CB GLU A 71 -1.369 -11.429 -6.704 1.00 0.45 C ATOM 1117 CG GLU A 71 -0.323 -11.576 -5.594 1.00 0.54 C ATOM 1118 CD GLU A 71 0.433 -12.891 -5.775 1.00 0.59 C ATOM 1119 OE1 GLU A 71 0.849 -13.168 -6.888 1.00 1.29 O ATOM 1120 OE2 GLU A 71 0.591 -13.594 -4.798 1.00 1.12 O ATOM 0 H GLU A 71 -3.051 -10.873 -4.243 1.00 0.33 H new ATOM 0 HA GLU A 71 -3.471 -11.779 -7.006 1.00 0.35 H new ATOM 0 HB2 GLU A 71 -1.127 -12.099 -7.529 1.00 0.45 H new ATOM 0 HB3 GLU A 71 -1.346 -10.414 -7.100 1.00 0.45 H new ATOM 0 HG2 GLU A 71 0.373 -10.738 -5.623 1.00 0.54 H new ATOM 0 HG3 GLU A 71 -0.808 -11.555 -4.618 1.00 0.54 H new ATOM 1127 N VAL A 72 -2.470 -14.129 -6.216 1.00 0.43 N ATOM 1128 CA VAL A 72 -2.452 -15.485 -5.618 1.00 0.51 C ATOM 1129 C VAL A 72 -1.052 -15.855 -5.124 1.00 0.58 C ATOM 1130 O VAL A 72 -0.062 -15.630 -5.790 1.00 0.93 O ATOM 1131 CB VAL A 72 -2.908 -16.512 -6.657 1.00 0.64 C ATOM 1132 CG1 VAL A 72 -4.048 -17.352 -6.080 1.00 0.49 C ATOM 1133 CG2 VAL A 72 -3.398 -15.793 -7.918 1.00 1.02 C ATOM 0 H VAL A 72 -2.265 -14.092 -7.215 1.00 0.43 H new ATOM 0 HA VAL A 72 -3.131 -15.487 -4.765 1.00 0.51 H new ATOM 0 HB VAL A 72 -2.068 -17.159 -6.912 1.00 0.64 H new ATOM 0 HG11 VAL A 72 -4.372 -18.083 -6.821 1.00 0.49 H new ATOM 0 HG12 VAL A 72 -3.702 -17.870 -5.186 1.00 0.49 H new ATOM 0 HG13 VAL A 72 -4.884 -16.702 -5.822 1.00 0.49 H new ATOM 0 HG21 VAL A 72 -3.721 -16.529 -8.654 1.00 1.02 H new ATOM 0 HG22 VAL A 72 -4.235 -15.142 -7.664 1.00 1.02 H new ATOM 0 HG23 VAL A 72 -2.587 -15.195 -8.334 1.00 1.02 H new ATOM 1143 N ARG A 73 -0.979 -16.470 -3.971 1.00 0.44 N ATOM 1144 CA ARG A 73 0.340 -16.911 -3.433 1.00 0.48 C ATOM 1145 C ARG A 73 0.143 -18.185 -2.612 1.00 0.54 C ATOM 1146 O ARG A 73 -0.306 -18.138 -1.484 1.00 0.55 O ATOM 1147 CB ARG A 73 0.944 -15.828 -2.538 1.00 0.43 C ATOM 1148 CG ARG A 73 2.466 -15.953 -2.543 1.00 0.53 C ATOM 1149 CD ARG A 73 3.076 -14.839 -1.696 1.00 0.62 C ATOM 1150 NE ARG A 73 3.690 -15.419 -0.469 1.00 0.89 N ATOM 1151 CZ ARG A 73 4.730 -16.203 -0.564 1.00 1.42 C ATOM 1152 NH1 ARG A 73 5.215 -16.511 -1.736 1.00 2.23 N ATOM 1153 NH2 ARG A 73 5.282 -16.683 0.516 1.00 1.70 N ATOM 0 H ARG A 73 -1.780 -16.686 -3.378 1.00 0.44 H new ATOM 0 HA ARG A 73 1.017 -17.097 -4.267 1.00 0.48 H new ATOM 0 HB2 ARG A 73 0.648 -14.841 -2.894 1.00 0.43 H new ATOM 0 HB3 ARG A 73 0.564 -15.928 -1.521 1.00 0.43 H new ATOM 0 HG2 ARG A 73 2.762 -16.926 -2.150 1.00 0.53 H new ATOM 0 HG3 ARG A 73 2.842 -15.894 -3.564 1.00 0.53 H new ATOM 0 HD2 ARG A 73 3.830 -14.302 -2.272 1.00 0.62 H new ATOM 0 HD3 ARG A 73 2.308 -14.115 -1.423 1.00 0.62 H new ATOM 0 HE ARG A 73 3.297 -15.203 0.447 1.00 0.89 H new ATOM 0 HH11 ARG A 73 4.782 -16.139 -2.581 1.00 2.23 H new ATOM 0 HH12 ARG A 73 6.027 -17.124 -1.807 1.00 2.23 H new ATOM 0 HH21 ARG A 73 4.901 -16.446 1.432 1.00 1.70 H new ATOM 0 HH22 ARG A 73 6.094 -17.296 0.444 1.00 1.70 H new ATOM 1167 N ASP A 74 0.473 -19.316 -3.188 1.00 0.60 N ATOM 1168 CA ASP A 74 0.327 -20.629 -2.487 1.00 0.68 C ATOM 1169 C ASP A 74 -1.089 -21.176 -2.682 1.00 0.68 C ATOM 1170 O ASP A 74 -1.654 -21.788 -1.798 1.00 0.69 O ATOM 1171 CB ASP A 74 0.621 -20.477 -0.993 1.00 0.68 C ATOM 1172 CG ASP A 74 1.186 -21.790 -0.449 1.00 0.79 C ATOM 1173 OD1 ASP A 74 2.221 -22.214 -0.936 1.00 1.27 O ATOM 1174 OD2 ASP A 74 0.575 -22.349 0.447 1.00 1.38 O ATOM 0 H ASP A 74 0.845 -19.384 -4.135 1.00 0.60 H new ATOM 0 HA ASP A 74 1.044 -21.329 -2.916 1.00 0.68 H new ATOM 0 HB2 ASP A 74 1.333 -19.668 -0.832 1.00 0.68 H new ATOM 0 HB3 ASP A 74 -0.290 -20.211 -0.457 1.00 0.68 H new ATOM 1179 N ARG A 75 -1.667 -20.963 -3.837 1.00 0.67 N ATOM 1180 CA ARG A 75 -3.049 -21.474 -4.103 1.00 0.69 C ATOM 1181 C ARG A 75 -4.043 -20.722 -3.225 1.00 0.59 C ATOM 1182 O ARG A 75 -5.074 -21.236 -2.838 1.00 0.64 O ATOM 1183 CB ARG A 75 -3.126 -22.980 -3.813 1.00 0.79 C ATOM 1184 CG ARG A 75 -3.538 -23.720 -5.085 1.00 0.87 C ATOM 1185 CD ARG A 75 -2.441 -23.562 -6.138 1.00 0.85 C ATOM 1186 NE ARG A 75 -1.910 -24.905 -6.506 1.00 1.25 N ATOM 1187 CZ ARG A 75 -1.139 -25.038 -7.549 1.00 1.89 C ATOM 1188 NH1 ARG A 75 -0.826 -23.994 -8.267 1.00 2.62 N ATOM 1189 NH2 ARG A 75 -0.678 -26.215 -7.873 1.00 2.29 N ATOM 0 H ARG A 75 -1.240 -20.455 -4.612 1.00 0.67 H new ATOM 0 HA ARG A 75 -3.295 -21.311 -5.152 1.00 0.69 H new ATOM 0 HB2 ARG A 75 -2.160 -23.344 -3.464 1.00 0.79 H new ATOM 0 HB3 ARG A 75 -3.846 -23.172 -3.018 1.00 0.79 H new ATOM 0 HG2 ARG A 75 -3.701 -24.776 -4.869 1.00 0.87 H new ATOM 0 HG3 ARG A 75 -4.480 -23.322 -5.462 1.00 0.87 H new ATOM 0 HD2 ARG A 75 -2.839 -23.062 -7.021 1.00 0.85 H new ATOM 0 HD3 ARG A 75 -1.638 -22.935 -5.751 1.00 0.85 H new ATOM 0 HE ARG A 75 -2.150 -25.720 -5.942 1.00 1.25 H new ATOM 0 HH11 ARG A 75 -1.185 -23.074 -8.012 1.00 2.62 H new ATOM 0 HH12 ARG A 75 -0.223 -24.098 -9.083 1.00 2.62 H new ATOM 0 HH21 ARG A 75 -0.921 -27.030 -7.310 1.00 2.29 H new ATOM 0 HH22 ARG A 75 -0.075 -26.320 -8.689 1.00 2.29 H new ATOM 1203 N ARG A 76 -3.748 -19.495 -2.923 1.00 0.46 N ATOM 1204 CA ARG A 76 -4.678 -18.704 -2.081 1.00 0.38 C ATOM 1205 C ARG A 76 -4.548 -17.228 -2.430 1.00 0.34 C ATOM 1206 O ARG A 76 -3.512 -16.775 -2.873 1.00 0.34 O ATOM 1207 CB ARG A 76 -4.335 -18.901 -0.603 1.00 0.37 C ATOM 1208 CG ARG A 76 -5.597 -19.289 0.183 1.00 0.63 C ATOM 1209 CD ARG A 76 -6.058 -20.701 -0.201 1.00 1.28 C ATOM 1210 NE ARG A 76 -6.708 -21.348 0.974 1.00 1.50 N ATOM 1211 CZ ARG A 76 -6.995 -22.620 0.938 1.00 2.36 C ATOM 1212 NH1 ARG A 76 -6.711 -23.323 -0.125 1.00 3.15 N ATOM 1213 NH2 ARG A 76 -7.566 -23.190 1.964 1.00 2.82 N ATOM 0 H ARG A 76 -2.905 -19.005 -3.222 1.00 0.46 H new ATOM 0 HA ARG A 76 -5.699 -19.039 -2.265 1.00 0.38 H new ATOM 0 HB2 ARG A 76 -3.578 -19.678 -0.497 1.00 0.37 H new ATOM 0 HB3 ARG A 76 -3.910 -17.984 -0.195 1.00 0.37 H new ATOM 0 HG2 ARG A 76 -5.394 -19.245 1.253 1.00 0.63 H new ATOM 0 HG3 ARG A 76 -6.393 -18.573 -0.020 1.00 0.63 H new ATOM 0 HD2 ARG A 76 -6.757 -20.652 -1.036 1.00 1.28 H new ATOM 0 HD3 ARG A 76 -5.207 -21.296 -0.532 1.00 1.28 H new ATOM 0 HE ARG A 76 -6.928 -20.798 1.804 1.00 1.50 H new ATOM 0 HH11 ARG A 76 -6.265 -22.878 -0.927 1.00 3.15 H new ATOM 0 HH12 ARG A 76 -6.935 -24.318 -0.154 1.00 3.15 H new ATOM 0 HH21 ARG A 76 -7.788 -22.641 2.794 1.00 2.82 H new ATOM 0 HH22 ARG A 76 -7.790 -24.185 1.935 1.00 2.82 H new ATOM 1227 N ARG A 77 -5.595 -16.475 -2.254 1.00 0.32 N ATOM 1228 CA ARG A 77 -5.515 -15.034 -2.607 1.00 0.31 C ATOM 1229 C ARG A 77 -4.943 -14.261 -1.448 1.00 0.27 C ATOM 1230 O ARG A 77 -5.249 -14.490 -0.294 1.00 0.29 O ATOM 1231 CB ARG A 77 -6.894 -14.473 -2.950 1.00 0.34 C ATOM 1232 CG ARG A 77 -6.746 -13.018 -3.417 1.00 0.58 C ATOM 1233 CD ARG A 77 -7.310 -12.870 -4.826 1.00 0.47 C ATOM 1234 NE ARG A 77 -8.686 -13.442 -4.876 1.00 1.21 N ATOM 1235 CZ ARG A 77 -9.183 -13.851 -6.011 1.00 1.57 C ATOM 1236 NH1 ARG A 77 -8.485 -13.740 -7.108 1.00 1.85 N ATOM 1237 NH2 ARG A 77 -10.381 -14.367 -6.050 1.00 2.44 N ATOM 0 H ARG A 77 -6.492 -16.790 -1.885 1.00 0.32 H new ATOM 0 HA ARG A 77 -4.871 -14.934 -3.481 1.00 0.31 H new ATOM 0 HB2 ARG A 77 -7.359 -15.073 -3.732 1.00 0.34 H new ATOM 0 HB3 ARG A 77 -7.547 -14.523 -2.079 1.00 0.34 H new ATOM 0 HG2 ARG A 77 -7.271 -12.351 -2.733 1.00 0.58 H new ATOM 0 HG3 ARG A 77 -5.696 -12.727 -3.403 1.00 0.58 H new ATOM 0 HD2 ARG A 77 -7.332 -11.818 -5.111 1.00 0.47 H new ATOM 0 HD3 ARG A 77 -6.666 -13.381 -5.542 1.00 0.47 H new ATOM 0 HE ARG A 77 -9.239 -13.514 -4.022 1.00 1.21 H new ATOM 0 HH11 ARG A 77 -7.550 -13.333 -7.079 1.00 1.85 H new ATOM 0 HH12 ARG A 77 -8.874 -14.060 -7.995 1.00 1.85 H new ATOM 0 HH21 ARG A 77 -10.928 -14.450 -5.193 1.00 2.44 H new ATOM 0 HH22 ARG A 77 -10.770 -14.687 -6.937 1.00 2.44 H new ATOM 1251 N ILE A 78 -4.083 -13.356 -1.770 1.00 0.23 N ATOM 1252 CA ILE A 78 -3.423 -12.551 -0.742 1.00 0.20 C ATOM 1253 C ILE A 78 -3.249 -11.136 -1.273 1.00 0.19 C ATOM 1254 O ILE A 78 -3.266 -10.901 -2.464 1.00 0.21 O ATOM 1255 CB ILE A 78 -2.078 -13.179 -0.441 1.00 0.20 C ATOM 1256 CG1 ILE A 78 -1.317 -12.262 0.460 1.00 0.21 C ATOM 1257 CG2 ILE A 78 -1.280 -13.381 -1.729 1.00 0.23 C ATOM 1258 CD1 ILE A 78 -0.268 -13.054 1.242 1.00 0.23 C ATOM 0 H ILE A 78 -3.806 -13.139 -2.727 1.00 0.23 H new ATOM 0 HA ILE A 78 -4.014 -12.514 0.173 1.00 0.20 H new ATOM 0 HB ILE A 78 -2.233 -14.148 0.033 1.00 0.20 H new ATOM 0 HG12 ILE A 78 -0.833 -11.481 -0.126 1.00 0.21 H new ATOM 0 HG13 ILE A 78 -2.000 -11.766 1.150 1.00 0.21 H new ATOM 0 HG21 ILE A 78 -0.317 -13.833 -1.493 1.00 0.23 H new ATOM 0 HG22 ILE A 78 -1.834 -14.037 -2.401 1.00 0.23 H new ATOM 0 HG23 ILE A 78 -1.120 -12.417 -2.213 1.00 0.23 H new ATOM 0 HD11 ILE A 78 0.283 -12.380 1.897 1.00 0.23 H new ATOM 0 HD12 ILE A 78 -0.762 -13.819 1.841 1.00 0.23 H new ATOM 0 HD13 ILE A 78 0.423 -13.529 0.546 1.00 0.23 H new ATOM 1270 N SER A 79 -3.141 -10.188 -0.402 1.00 0.20 N ATOM 1271 CA SER A 79 -3.036 -8.785 -0.857 1.00 0.22 C ATOM 1272 C SER A 79 -1.580 -8.373 -1.065 1.00 0.19 C ATOM 1273 O SER A 79 -0.667 -8.918 -0.478 1.00 0.22 O ATOM 1274 CB SER A 79 -3.666 -7.877 0.190 1.00 0.28 C ATOM 1275 OG SER A 79 -2.730 -7.629 1.230 1.00 0.74 O ATOM 0 H SER A 79 -3.121 -10.322 0.609 1.00 0.20 H new ATOM 0 HA SER A 79 -3.556 -8.693 -1.811 1.00 0.22 H new ATOM 0 HB2 SER A 79 -3.975 -6.937 -0.267 1.00 0.28 H new ATOM 0 HB3 SER A 79 -4.563 -8.343 0.598 1.00 0.28 H new ATOM 0 HG SER A 79 -3.018 -8.089 2.046 1.00 0.74 H new ATOM 1281 N TYR A 80 -1.382 -7.387 -1.898 1.00 0.19 N ATOM 1282 CA TYR A 80 -0.003 -6.890 -2.155 1.00 0.25 C ATOM 1283 C TYR A 80 -0.017 -5.377 -2.314 1.00 0.22 C ATOM 1284 O TYR A 80 -0.962 -4.805 -2.820 1.00 0.21 O ATOM 1285 CB TYR A 80 0.625 -7.574 -3.395 1.00 0.40 C ATOM 1286 CG TYR A 80 -0.014 -7.121 -4.698 1.00 0.93 C ATOM 1287 CD1 TYR A 80 0.207 -5.825 -5.198 1.00 1.82 C ATOM 1288 CD2 TYR A 80 -0.821 -8.012 -5.424 1.00 1.68 C ATOM 1289 CE1 TYR A 80 -0.381 -5.432 -6.408 1.00 2.78 C ATOM 1290 CE2 TYR A 80 -1.405 -7.603 -6.632 1.00 2.66 C ATOM 1291 CZ TYR A 80 -1.181 -6.319 -7.119 1.00 3.08 C ATOM 1292 OH TYR A 80 -1.756 -5.925 -8.310 1.00 4.16 O ATOM 0 H TYR A 80 -2.119 -6.904 -2.412 1.00 0.19 H new ATOM 0 HA TYR A 80 0.618 -7.147 -1.297 1.00 0.25 H new ATOM 0 HB2 TYR A 80 1.693 -7.357 -3.423 1.00 0.40 H new ATOM 0 HB3 TYR A 80 0.522 -8.655 -3.300 1.00 0.40 H new ATOM 0 HD1 TYR A 80 0.829 -5.133 -4.650 1.00 1.82 H new ATOM 0 HD2 TYR A 80 -0.992 -9.012 -5.052 1.00 1.68 H new ATOM 0 HE1 TYR A 80 -0.212 -4.436 -6.790 1.00 2.78 H new ATOM 0 HE2 TYR A 80 -2.031 -8.287 -7.186 1.00 2.66 H new ATOM 0 HH TYR A 80 -2.283 -6.664 -8.679 1.00 4.16 H new ATOM 1302 N ILE A 81 1.055 -4.726 -1.917 1.00 0.25 N ATOM 1303 CA ILE A 81 1.152 -3.247 -2.077 1.00 0.27 C ATOM 1304 C ILE A 81 2.400 -2.938 -2.895 1.00 0.25 C ATOM 1305 O ILE A 81 3.468 -3.478 -2.664 1.00 0.26 O ATOM 1306 CB ILE A 81 1.229 -2.505 -0.723 1.00 0.34 C ATOM 1307 CG1 ILE A 81 2.550 -2.819 -0.003 1.00 0.76 C ATOM 1308 CG2 ILE A 81 0.057 -2.903 0.177 1.00 0.92 C ATOM 1309 CD1 ILE A 81 3.558 -1.675 -0.200 1.00 0.69 C ATOM 0 H ILE A 81 1.869 -5.165 -1.487 1.00 0.25 H new ATOM 0 HA ILE A 81 0.249 -2.899 -2.579 1.00 0.27 H new ATOM 0 HB ILE A 81 1.179 -1.436 -0.928 1.00 0.34 H new ATOM 0 HG12 ILE A 81 2.364 -2.968 1.061 1.00 0.76 H new ATOM 0 HG13 ILE A 81 2.968 -3.749 -0.387 1.00 0.76 H new ATOM 0 HG21 ILE A 81 0.129 -2.370 1.125 1.00 0.92 H new ATOM 0 HG22 ILE A 81 -0.882 -2.646 -0.313 1.00 0.92 H new ATOM 0 HG23 ILE A 81 0.088 -3.977 0.361 1.00 0.92 H new ATOM 0 HD11 ILE A 81 4.487 -1.916 0.317 1.00 0.69 H new ATOM 0 HD12 ILE A 81 3.758 -1.545 -1.264 1.00 0.69 H new ATOM 0 HD13 ILE A 81 3.145 -0.752 0.207 1.00 0.69 H new ATOM 1321 N LEU A 82 2.254 -2.083 -3.858 1.00 0.25 N ATOM 1322 CA LEU A 82 3.400 -1.713 -4.730 1.00 0.25 C ATOM 1323 C LEU A 82 3.850 -0.298 -4.363 1.00 0.25 C ATOM 1324 O LEU A 82 3.038 0.605 -4.340 1.00 0.29 O ATOM 1325 CB LEU A 82 2.920 -1.740 -6.180 1.00 0.29 C ATOM 1326 CG LEU A 82 2.058 -2.979 -6.428 1.00 0.32 C ATOM 1327 CD1 LEU A 82 1.613 -3.004 -7.896 1.00 0.36 C ATOM 1328 CD2 LEU A 82 2.871 -4.241 -6.125 1.00 0.32 C ATOM 0 H LEU A 82 1.376 -1.615 -4.084 1.00 0.25 H new ATOM 0 HA LEU A 82 4.232 -2.406 -4.601 1.00 0.25 H new ATOM 0 HB2 LEU A 82 2.346 -0.839 -6.398 1.00 0.29 H new ATOM 0 HB3 LEU A 82 3.776 -1.743 -6.854 1.00 0.29 H new ATOM 0 HG LEU A 82 1.183 -2.946 -5.779 1.00 0.32 H new ATOM 0 HD11 LEU A 82 0.999 -3.886 -8.075 1.00 0.36 H new ATOM 0 HD12 LEU A 82 1.033 -2.107 -8.116 1.00 0.36 H new ATOM 0 HD13 LEU A 82 2.491 -3.036 -8.542 1.00 0.36 H new ATOM 0 HD21 LEU A 82 2.255 -5.122 -6.302 1.00 0.32 H new ATOM 0 HD22 LEU A 82 3.747 -4.274 -6.773 1.00 0.32 H new ATOM 0 HD23 LEU A 82 3.191 -4.226 -5.083 1.00 0.32 H new ATOM 1340 N LEU A 83 5.117 -0.082 -4.053 1.00 0.22 N ATOM 1341 CA LEU A 83 5.553 1.298 -3.666 1.00 0.23 C ATOM 1342 C LEU A 83 6.806 1.709 -4.428 1.00 0.21 C ATOM 1343 O LEU A 83 7.828 1.053 -4.394 1.00 0.20 O ATOM 1344 CB LEU A 83 5.857 1.331 -2.174 1.00 0.23 C ATOM 1345 CG LEU A 83 5.116 2.485 -1.510 1.00 0.52 C ATOM 1346 CD1 LEU A 83 5.421 2.491 -0.010 1.00 0.52 C ATOM 1347 CD2 LEU A 83 5.573 3.800 -2.128 1.00 0.98 C ATOM 0 H LEU A 83 5.850 -0.791 -4.053 1.00 0.22 H new ATOM 0 HA LEU A 83 4.748 1.991 -3.909 1.00 0.23 H new ATOM 0 HB2 LEU A 83 5.562 0.388 -1.715 1.00 0.23 H new ATOM 0 HB3 LEU A 83 6.930 1.440 -2.017 1.00 0.23 H new ATOM 0 HG LEU A 83 4.043 2.365 -1.661 1.00 0.52 H new ATOM 0 HD11 LEU A 83 4.891 3.316 0.466 1.00 0.52 H new ATOM 0 HD12 LEU A 83 5.096 1.549 0.431 1.00 0.52 H new ATOM 0 HD13 LEU A 83 6.493 2.612 0.143 1.00 0.52 H new ATOM 0 HD21 LEU A 83 5.044 4.628 -1.655 1.00 0.98 H new ATOM 0 HD22 LEU A 83 6.646 3.920 -1.976 1.00 0.98 H new ATOM 0 HD23 LEU A 83 5.356 3.795 -3.196 1.00 0.98 H new ATOM 1359 N ARG A 84 6.702 2.812 -5.112 1.00 0.22 N ATOM 1360 CA ARG A 84 7.858 3.329 -5.900 1.00 0.21 C ATOM 1361 C ARG A 84 8.534 4.489 -5.158 1.00 0.21 C ATOM 1362 O ARG A 84 7.991 5.044 -4.227 1.00 0.23 O ATOM 1363 CB ARG A 84 7.401 3.766 -7.292 1.00 0.23 C ATOM 1364 CG ARG A 84 8.442 3.281 -8.306 1.00 0.25 C ATOM 1365 CD ARG A 84 8.117 3.776 -9.717 1.00 0.31 C ATOM 1366 NE ARG A 84 9.137 3.251 -10.669 1.00 0.40 N ATOM 1367 CZ ARG A 84 8.977 3.413 -11.953 1.00 0.48 C ATOM 1368 NH1 ARG A 84 7.920 4.030 -12.406 1.00 0.49 N ATOM 1369 NH2 ARG A 84 9.873 2.959 -12.786 1.00 0.58 N ATOM 0 H ARG A 84 5.859 3.384 -5.161 1.00 0.22 H new ATOM 0 HA ARG A 84 8.588 2.528 -6.017 1.00 0.21 H new ATOM 0 HB2 ARG A 84 6.422 3.346 -7.521 1.00 0.23 H new ATOM 0 HB3 ARG A 84 7.301 4.850 -7.337 1.00 0.23 H new ATOM 0 HG2 ARG A 84 9.430 3.635 -8.013 1.00 0.25 H new ATOM 0 HG3 ARG A 84 8.479 2.192 -8.300 1.00 0.25 H new ATOM 0 HD2 ARG A 84 7.122 3.443 -10.012 1.00 0.31 H new ATOM 0 HD3 ARG A 84 8.108 4.866 -9.740 1.00 0.31 H new ATOM 0 HE ARG A 84 9.961 2.765 -10.316 1.00 0.40 H new ATOM 0 HH11 ARG A 84 7.219 4.385 -11.756 1.00 0.49 H new ATOM 0 HH12 ARG A 84 7.795 4.157 -13.410 1.00 0.49 H new ATOM 0 HH21 ARG A 84 10.700 2.477 -12.433 1.00 0.58 H new ATOM 0 HH22 ARG A 84 9.747 3.086 -13.790 1.00 0.58 H new ATOM 1383 N LEU A 85 9.720 4.852 -5.574 1.00 0.20 N ATOM 1384 CA LEU A 85 10.430 5.980 -4.879 1.00 0.21 C ATOM 1385 C LEU A 85 11.480 6.613 -5.778 1.00 0.21 C ATOM 1386 O LEU A 85 12.116 5.949 -6.550 1.00 0.22 O ATOM 1387 CB LEU A 85 11.135 5.470 -3.620 1.00 0.23 C ATOM 1388 CG LEU A 85 10.910 6.441 -2.451 1.00 0.53 C ATOM 1389 CD1 LEU A 85 9.457 6.394 -1.970 1.00 1.39 C ATOM 1390 CD2 LEU A 85 11.833 6.051 -1.296 1.00 0.94 C ATOM 0 H LEU A 85 10.225 4.427 -6.352 1.00 0.20 H new ATOM 0 HA LEU A 85 9.675 6.722 -4.622 1.00 0.21 H new ATOM 0 HB2 LEU A 85 10.757 4.482 -3.358 1.00 0.23 H new ATOM 0 HB3 LEU A 85 12.203 5.362 -3.811 1.00 0.23 H new ATOM 0 HG LEU A 85 11.129 7.453 -2.791 1.00 0.53 H new ATOM 0 HD11 LEU A 85 9.325 7.091 -1.142 1.00 1.39 H new ATOM 0 HD12 LEU A 85 8.794 6.673 -2.789 1.00 1.39 H new ATOM 0 HD13 LEU A 85 9.217 5.384 -1.637 1.00 1.39 H new ATOM 0 HD21 LEU A 85 11.680 6.735 -0.461 1.00 0.94 H new ATOM 0 HD22 LEU A 85 11.607 5.033 -0.977 1.00 0.94 H new ATOM 0 HD23 LEU A 85 12.871 6.106 -1.625 1.00 0.94 H new ATOM 1402 N LYS A 86 11.647 7.903 -5.662 1.00 0.22 N ATOM 1403 CA LYS A 86 12.654 8.634 -6.492 1.00 0.24 C ATOM 1404 C LYS A 86 13.591 9.449 -5.596 1.00 0.23 C ATOM 1405 O LYS A 86 13.182 10.003 -4.604 1.00 0.28 O ATOM 1406 CB LYS A 86 11.921 9.587 -7.423 1.00 0.27 C ATOM 1407 CG LYS A 86 12.920 10.354 -8.294 1.00 0.38 C ATOM 1408 CD LYS A 86 13.089 11.784 -7.769 1.00 0.72 C ATOM 1409 CE LYS A 86 13.928 12.590 -8.762 1.00 0.72 C ATOM 1410 NZ LYS A 86 13.031 13.438 -9.596 1.00 1.42 N ATOM 0 H LYS A 86 11.121 8.492 -5.017 1.00 0.22 H new ATOM 0 HA LYS A 86 13.240 7.912 -7.061 1.00 0.24 H new ATOM 0 HB2 LYS A 86 11.231 9.029 -8.055 1.00 0.27 H new ATOM 0 HB3 LYS A 86 11.324 10.288 -6.840 1.00 0.27 H new ATOM 0 HG2 LYS A 86 13.882 9.842 -8.293 1.00 0.38 H new ATOM 0 HG3 LYS A 86 12.572 10.376 -9.327 1.00 0.38 H new ATOM 0 HD2 LYS A 86 12.114 12.252 -7.635 1.00 0.72 H new ATOM 0 HD3 LYS A 86 13.573 11.771 -6.793 1.00 0.72 H new ATOM 0 HE2 LYS A 86 14.643 13.215 -8.227 1.00 0.72 H new ATOM 0 HE3 LYS A 86 14.505 11.918 -9.397 1.00 0.72 H new ATOM 0 HZ1 LYS A 86 13.601 13.986 -10.271 1.00 1.42 H new ATOM 0 HZ2 LYS A 86 12.365 12.832 -10.117 1.00 1.42 H new ATOM 0 HZ3 LYS A 86 12.500 14.089 -8.983 1.00 1.42 H new ATOM 1424 N ARG A 87 14.842 9.535 -5.955 1.00 0.24 N ATOM 1425 CA ARG A 87 15.800 10.336 -5.127 1.00 0.24 C ATOM 1426 C ARG A 87 15.961 11.735 -5.719 1.00 0.26 C ATOM 1427 O ARG A 87 16.060 11.907 -6.917 1.00 0.28 O ATOM 1428 CB ARG A 87 17.168 9.657 -5.087 1.00 0.27 C ATOM 1429 CG ARG A 87 17.056 8.289 -4.405 1.00 0.62 C ATOM 1430 CD ARG A 87 16.699 8.465 -2.926 1.00 0.43 C ATOM 1431 NE ARG A 87 17.166 7.270 -2.167 1.00 0.48 N ATOM 1432 CZ ARG A 87 17.427 7.364 -0.892 1.00 0.80 C ATOM 1433 NH1 ARG A 87 17.263 8.499 -0.268 1.00 1.64 N ATOM 1434 NH2 ARG A 87 17.851 6.318 -0.239 1.00 0.86 N ATOM 0 H ARG A 87 15.245 9.090 -6.780 1.00 0.24 H new ATOM 0 HA ARG A 87 15.400 10.406 -4.115 1.00 0.24 H new ATOM 0 HB2 ARG A 87 17.553 9.537 -6.100 1.00 0.27 H new ATOM 0 HB3 ARG A 87 17.878 10.284 -4.548 1.00 0.27 H new ATOM 0 HG2 ARG A 87 16.294 7.688 -4.902 1.00 0.62 H new ATOM 0 HG3 ARG A 87 17.999 7.750 -4.498 1.00 0.62 H new ATOM 0 HD2 ARG A 87 17.166 9.367 -2.531 1.00 0.43 H new ATOM 0 HD3 ARG A 87 15.622 8.587 -2.811 1.00 0.43 H new ATOM 0 HE ARG A 87 17.282 6.377 -2.646 1.00 0.48 H new ATOM 0 HH11 ARG A 87 16.929 9.317 -0.777 1.00 1.64 H new ATOM 0 HH12 ARG A 87 17.468 8.567 0.729 1.00 1.64 H new ATOM 0 HH21 ARG A 87 17.978 5.430 -0.725 1.00 0.86 H new ATOM 0 HH22 ARG A 87 18.056 6.388 0.758 1.00 0.86 H new ATOM 1448 N VAL A 88 16.008 12.729 -4.870 1.00 0.27 N ATOM 1449 CA VAL A 88 16.184 14.136 -5.341 1.00 0.30 C ATOM 1450 C VAL A 88 17.498 14.678 -4.789 1.00 0.31 C ATOM 1451 O VAL A 88 17.959 15.735 -5.172 1.00 0.35 O ATOM 1452 CB VAL A 88 15.032 15.000 -4.831 1.00 0.31 C ATOM 1453 CG1 VAL A 88 15.352 16.476 -5.072 1.00 0.49 C ATOM 1454 CG2 VAL A 88 13.748 14.631 -5.571 1.00 0.63 C ATOM 0 H VAL A 88 15.931 12.624 -3.858 1.00 0.27 H new ATOM 0 HA VAL A 88 16.195 14.158 -6.431 1.00 0.30 H new ATOM 0 HB VAL A 88 14.898 14.827 -3.763 1.00 0.31 H new ATOM 0 HG11 VAL A 88 14.529 17.091 -4.708 1.00 0.49 H new ATOM 0 HG12 VAL A 88 16.266 16.742 -4.541 1.00 0.49 H new ATOM 0 HG13 VAL A 88 15.489 16.649 -6.139 1.00 0.49 H new ATOM 0 HG21 VAL A 88 12.927 15.248 -5.206 1.00 0.63 H new ATOM 0 HG22 VAL A 88 13.882 14.801 -6.639 1.00 0.63 H new ATOM 0 HG23 VAL A 88 13.517 13.580 -5.397 1.00 0.63 H new ATOM 1464 N TYR A 89 18.109 13.955 -3.895 1.00 0.31 N ATOM 1465 CA TYR A 89 19.400 14.419 -3.321 1.00 0.37 C ATOM 1466 C TYR A 89 20.076 13.262 -2.582 1.00 0.49 C ATOM 1467 O TYR A 89 21.296 13.246 -2.537 1.00 1.12 O ATOM 1468 CB TYR A 89 19.145 15.570 -2.346 1.00 0.35 C ATOM 1469 CG TYR A 89 20.377 16.439 -2.261 1.00 0.51 C ATOM 1470 CD1 TYR A 89 20.658 17.356 -3.280 1.00 1.13 C ATOM 1471 CD2 TYR A 89 21.239 16.325 -1.164 1.00 1.46 C ATOM 1472 CE1 TYR A 89 21.800 18.161 -3.202 1.00 1.28 C ATOM 1473 CE2 TYR A 89 22.382 17.130 -1.085 1.00 1.76 C ATOM 1474 CZ TYR A 89 22.663 18.047 -2.104 1.00 1.27 C ATOM 1475 OH TYR A 89 23.789 18.840 -2.028 1.00 1.67 O ATOM 1476 OXT TYR A 89 19.364 12.412 -2.075 1.00 1.00 O ATOM 0 H TYR A 89 17.770 13.062 -3.537 1.00 0.31 H new ATOM 0 HA TYR A 89 20.050 14.765 -4.125 1.00 0.37 H new ATOM 0 HB2 TYR A 89 18.292 16.161 -2.679 1.00 0.35 H new ATOM 0 HB3 TYR A 89 18.895 15.177 -1.360 1.00 0.35 H new ATOM 0 HD1 TYR A 89 19.993 17.442 -4.127 1.00 1.13 H new ATOM 0 HD2 TYR A 89 21.022 15.616 -0.379 1.00 1.46 H new ATOM 0 HE1 TYR A 89 22.016 18.870 -3.988 1.00 1.28 H new ATOM 0 HE2 TYR A 89 23.046 17.043 -0.238 1.00 1.76 H new ATOM 0 HH TYR A 89 24.278 18.636 -1.203 1.00 1.67 H new TER 1486 TYR A 89 ATOM 1487 N MET B 1 -24.753 14.304 4.712 1.00 3.96 N ATOM 1488 CA MET B 1 -23.489 14.996 4.332 1.00 3.21 C ATOM 1489 C MET B 1 -22.568 14.015 3.606 1.00 2.20 C ATOM 1490 O MET B 1 -21.418 13.849 3.958 1.00 2.41 O ATOM 1491 CB MET B 1 -22.792 15.513 5.591 1.00 3.93 C ATOM 1492 CG MET B 1 -23.739 16.442 6.351 1.00 4.72 C ATOM 1493 SD MET B 1 -22.796 17.807 7.072 1.00 5.70 S ATOM 1494 CE MET B 1 -24.144 19.013 7.118 1.00 6.35 C ATOM 0 H1 MET B 1 -25.461 15.009 5.003 1.00 3.96 H new ATOM 0 H2 MET B 1 -25.113 13.767 3.897 1.00 3.96 H new ATOM 0 H3 MET B 1 -24.568 13.653 5.502 1.00 3.96 H new ATOM 0 HA MET B 1 -23.718 15.834 3.674 1.00 3.21 H new ATOM 0 HB2 MET B 1 -22.497 14.677 6.226 1.00 3.93 H new ATOM 0 HB3 MET B 1 -21.880 16.046 5.322 1.00 3.93 H new ATOM 0 HG2 MET B 1 -24.503 16.830 5.677 1.00 4.72 H new ATOM 0 HG3 MET B 1 -24.256 15.889 7.135 1.00 4.72 H new ATOM 0 HE1 MET B 1 -23.779 19.951 7.537 1.00 6.35 H new ATOM 0 HE2 MET B 1 -24.512 19.186 6.107 1.00 6.35 H new ATOM 0 HE3 MET B 1 -24.954 18.630 7.738 1.00 6.35 H new ATOM 1506 N THR B 2 -23.066 13.366 2.590 1.00 1.60 N ATOM 1507 CA THR B 2 -22.222 12.397 1.839 1.00 1.14 C ATOM 1508 C THR B 2 -22.654 12.387 0.372 1.00 0.94 C ATOM 1509 O THR B 2 -23.828 12.373 0.064 1.00 1.61 O ATOM 1510 CB THR B 2 -22.396 10.999 2.438 1.00 1.83 C ATOM 1511 OG1 THR B 2 -23.220 11.080 3.592 1.00 2.42 O ATOM 1512 CG2 THR B 2 -21.028 10.435 2.825 1.00 2.32 C ATOM 0 H THR B 2 -24.022 13.465 2.248 1.00 1.60 H new ATOM 0 HA THR B 2 -21.174 12.689 1.908 1.00 1.14 H new ATOM 0 HB THR B 2 -22.863 10.343 1.703 1.00 1.83 H new ATOM 0 HG1 THR B 2 -23.334 10.186 3.976 1.00 2.42 H new ATOM 0 HG21 THR B 2 -21.152 9.440 3.251 1.00 2.32 H new ATOM 0 HG22 THR B 2 -20.396 10.374 1.939 1.00 2.32 H new ATOM 0 HG23 THR B 2 -20.560 11.089 3.561 1.00 2.32 H new ATOM 1520 N GLU B 3 -21.713 12.384 -0.534 1.00 0.88 N ATOM 1521 CA GLU B 3 -22.053 12.364 -1.986 1.00 0.65 C ATOM 1522 C GLU B 3 -20.846 11.815 -2.746 1.00 0.59 C ATOM 1523 O GLU B 3 -20.763 10.637 -3.006 1.00 0.81 O ATOM 1524 CB GLU B 3 -22.345 13.783 -2.486 1.00 0.93 C ATOM 1525 CG GLU B 3 -23.587 14.350 -1.797 1.00 0.89 C ATOM 1526 CD GLU B 3 -24.032 15.619 -2.524 1.00 1.04 C ATOM 1527 OE1 GLU B 3 -23.503 16.673 -2.213 1.00 1.56 O ATOM 1528 OE2 GLU B 3 -24.893 15.516 -3.382 1.00 1.68 O ATOM 0 H GLU B 3 -20.714 12.395 -0.328 1.00 0.88 H new ATOM 0 HA GLU B 3 -22.936 11.745 -2.146 1.00 0.65 H new ATOM 0 HB2 GLU B 3 -21.488 14.427 -2.290 1.00 0.93 H new ATOM 0 HB3 GLU B 3 -22.495 13.771 -3.566 1.00 0.93 H new ATOM 0 HG2 GLU B 3 -24.390 13.613 -1.804 1.00 0.89 H new ATOM 0 HG3 GLU B 3 -23.368 14.573 -0.753 1.00 0.89 H new ATOM 1535 N LYS B 4 -19.894 12.657 -3.074 1.00 0.65 N ATOM 1536 CA LYS B 4 -18.669 12.176 -3.782 1.00 0.57 C ATOM 1537 C LYS B 4 -17.497 12.239 -2.816 1.00 0.51 C ATOM 1538 O LYS B 4 -16.504 12.893 -3.060 1.00 0.47 O ATOM 1539 CB LYS B 4 -18.365 13.049 -4.993 1.00 0.60 C ATOM 1540 CG LYS B 4 -18.616 14.511 -4.649 1.00 1.06 C ATOM 1541 CD LYS B 4 -19.959 14.949 -5.233 1.00 1.25 C ATOM 1542 CE LYS B 4 -20.347 16.305 -4.648 1.00 1.83 C ATOM 1543 NZ LYS B 4 -21.397 16.932 -5.501 1.00 2.31 N ATOM 0 H LYS B 4 -19.915 13.658 -2.880 1.00 0.65 H new ATOM 0 HA LYS B 4 -18.834 11.155 -4.125 1.00 0.57 H new ATOM 0 HB2 LYS B 4 -17.329 12.911 -5.302 1.00 0.60 H new ATOM 0 HB3 LYS B 4 -18.991 12.751 -5.834 1.00 0.60 H new ATOM 0 HG2 LYS B 4 -18.616 14.646 -3.567 1.00 1.06 H new ATOM 0 HG3 LYS B 4 -17.814 15.132 -5.048 1.00 1.06 H new ATOM 0 HD2 LYS B 4 -19.892 15.015 -6.319 1.00 1.25 H new ATOM 0 HD3 LYS B 4 -20.726 14.209 -5.005 1.00 1.25 H new ATOM 0 HE2 LYS B 4 -20.716 16.182 -3.630 1.00 1.83 H new ATOM 0 HE3 LYS B 4 -19.472 16.953 -4.594 1.00 1.83 H new ATOM 0 HZ1 LYS B 4 -21.662 17.856 -5.103 1.00 2.31 H new ATOM 0 HZ2 LYS B 4 -21.029 17.063 -6.465 1.00 2.31 H new ATOM 0 HZ3 LYS B 4 -22.234 16.315 -5.531 1.00 2.31 H new ATOM 1557 N LEU B 5 -17.613 11.562 -1.722 1.00 0.55 N ATOM 1558 CA LEU B 5 -16.523 11.566 -0.722 1.00 0.57 C ATOM 1559 C LEU B 5 -16.770 10.394 0.226 1.00 0.76 C ATOM 1560 O LEU B 5 -17.894 9.966 0.395 1.00 1.59 O ATOM 1561 CB LEU B 5 -16.544 12.894 0.046 1.00 0.62 C ATOM 1562 CG LEU B 5 -15.124 13.274 0.494 1.00 0.90 C ATOM 1563 CD1 LEU B 5 -14.254 13.641 -0.716 1.00 1.35 C ATOM 1564 CD2 LEU B 5 -15.202 14.478 1.437 1.00 1.62 C ATOM 0 H LEU B 5 -18.426 10.998 -1.473 1.00 0.55 H new ATOM 0 HA LEU B 5 -15.548 11.464 -1.198 1.00 0.57 H new ATOM 0 HB2 LEU B 5 -16.956 13.681 -0.586 1.00 0.62 H new ATOM 0 HB3 LEU B 5 -17.196 12.809 0.915 1.00 0.62 H new ATOM 0 HG LEU B 5 -14.676 12.420 1.003 1.00 0.90 H new ATOM 0 HD11 LEU B 5 -13.253 13.907 -0.377 1.00 1.35 H new ATOM 0 HD12 LEU B 5 -14.194 12.789 -1.393 1.00 1.35 H new ATOM 0 HD13 LEU B 5 -14.697 14.489 -1.239 1.00 1.35 H new ATOM 0 HD21 LEU B 5 -14.198 14.753 1.759 1.00 1.62 H new ATOM 0 HD22 LEU B 5 -15.659 15.319 0.916 1.00 1.62 H new ATOM 0 HD23 LEU B 5 -15.804 14.220 2.308 1.00 1.62 H new ATOM 1576 N ASN B 6 -15.767 9.909 0.903 1.00 0.33 N ATOM 1577 CA ASN B 6 -16.014 8.814 1.888 1.00 0.35 C ATOM 1578 C ASN B 6 -14.706 8.380 2.552 1.00 0.29 C ATOM 1579 O ASN B 6 -14.027 7.494 2.072 1.00 0.32 O ATOM 1580 CB ASN B 6 -16.681 7.610 1.213 1.00 0.52 C ATOM 1581 CG ASN B 6 -17.963 7.258 1.970 1.00 0.62 C ATOM 1582 OD1 ASN B 6 -18.744 8.126 2.305 1.00 1.46 O ATOM 1583 ND2 ASN B 6 -18.212 6.011 2.259 1.00 0.99 N ATOM 0 H ASN B 6 -14.798 10.217 0.821 1.00 0.33 H new ATOM 0 HA ASN B 6 -16.687 9.200 2.654 1.00 0.35 H new ATOM 0 HB2 ASN B 6 -16.910 7.841 0.173 1.00 0.52 H new ATOM 0 HB3 ASN B 6 -16.001 6.758 1.208 1.00 0.52 H new ATOM 0 HD21 ASN B 6 -19.062 5.765 2.766 1.00 0.99 H new ATOM 0 HD22 ASN B 6 -17.557 5.282 1.978 1.00 0.99 H new ATOM 1590 N GLU B 7 -14.349 8.964 3.657 1.00 0.28 N ATOM 1591 CA GLU B 7 -13.098 8.533 4.340 1.00 0.30 C ATOM 1592 C GLU B 7 -13.476 7.489 5.386 1.00 0.32 C ATOM 1593 O GLU B 7 -14.071 7.808 6.397 1.00 0.37 O ATOM 1594 CB GLU B 7 -12.435 9.735 5.005 1.00 0.36 C ATOM 1595 CG GLU B 7 -13.383 10.335 6.042 1.00 0.53 C ATOM 1596 CD GLU B 7 -13.243 11.859 6.042 1.00 0.76 C ATOM 1597 OE1 GLU B 7 -13.439 12.451 4.993 1.00 1.49 O ATOM 1598 OE2 GLU B 7 -12.941 12.406 7.089 1.00 1.08 O ATOM 0 H GLU B 7 -14.863 9.716 4.116 1.00 0.28 H new ATOM 0 HA GLU B 7 -12.393 8.109 3.625 1.00 0.30 H new ATOM 0 HB2 GLU B 7 -11.503 9.431 5.482 1.00 0.36 H new ATOM 0 HB3 GLU B 7 -12.180 10.483 4.255 1.00 0.36 H new ATOM 0 HG2 GLU B 7 -14.411 10.054 5.815 1.00 0.53 H new ATOM 0 HG3 GLU B 7 -13.155 9.938 7.031 1.00 0.53 H new ATOM 1605 N ILE B 8 -13.159 6.242 5.141 1.00 0.33 N ATOM 1606 CA ILE B 8 -13.527 5.166 6.111 1.00 0.38 C ATOM 1607 C ILE B 8 -12.282 4.439 6.616 1.00 0.34 C ATOM 1608 O ILE B 8 -11.308 4.247 5.906 1.00 0.34 O ATOM 1609 CB ILE B 8 -14.457 4.158 5.436 1.00 0.42 C ATOM 1610 CG1 ILE B 8 -15.005 4.761 4.135 1.00 0.47 C ATOM 1611 CG2 ILE B 8 -15.614 3.831 6.383 1.00 0.62 C ATOM 1612 CD1 ILE B 8 -16.045 3.817 3.524 1.00 1.17 C ATOM 0 H ILE B 8 -12.661 5.923 4.310 1.00 0.33 H new ATOM 0 HA ILE B 8 -14.032 5.629 6.959 1.00 0.38 H new ATOM 0 HB ILE B 8 -13.908 3.245 5.204 1.00 0.42 H new ATOM 0 HG12 ILE B 8 -15.456 5.733 4.335 1.00 0.47 H new ATOM 0 HG13 ILE B 8 -14.191 4.927 3.429 1.00 0.47 H new ATOM 0 HG21 ILE B 8 -16.281 3.112 5.907 1.00 0.62 H new ATOM 0 HG22 ILE B 8 -15.220 3.405 7.306 1.00 0.62 H new ATOM 0 HG23 ILE B 8 -16.166 4.743 6.611 1.00 0.62 H new ATOM 0 HD11 ILE B 8 -16.431 4.249 2.601 1.00 1.17 H new ATOM 0 HD12 ILE B 8 -15.581 2.855 3.308 1.00 1.17 H new ATOM 0 HD13 ILE B 8 -16.865 3.674 4.228 1.00 1.17 H new ATOM 1624 N VAL B 9 -12.330 4.019 7.847 1.00 0.32 N ATOM 1625 CA VAL B 9 -11.191 3.281 8.445 1.00 0.30 C ATOM 1626 C VAL B 9 -11.483 1.777 8.406 1.00 0.27 C ATOM 1627 O VAL B 9 -12.502 1.318 8.882 1.00 0.28 O ATOM 1628 CB VAL B 9 -11.004 3.733 9.897 1.00 0.34 C ATOM 1629 CG1 VAL B 9 -12.269 3.422 10.697 1.00 1.37 C ATOM 1630 CG2 VAL B 9 -9.817 2.995 10.521 1.00 1.27 C ATOM 0 H VAL B 9 -13.124 4.159 8.472 1.00 0.32 H new ATOM 0 HA VAL B 9 -10.281 3.486 7.881 1.00 0.30 H new ATOM 0 HB VAL B 9 -10.814 4.806 9.915 1.00 0.34 H new ATOM 0 HG11 VAL B 9 -12.135 3.744 11.730 1.00 1.37 H new ATOM 0 HG12 VAL B 9 -13.116 3.951 10.259 1.00 1.37 H new ATOM 0 HG13 VAL B 9 -12.460 2.349 10.673 1.00 1.37 H new ATOM 0 HG21 VAL B 9 -9.688 3.320 11.553 1.00 1.27 H new ATOM 0 HG22 VAL B 9 -10.004 1.921 10.499 1.00 1.27 H new ATOM 0 HG23 VAL B 9 -8.912 3.217 9.955 1.00 1.27 H new ATOM 1640 N VAL B 10 -10.608 1.017 7.821 1.00 0.24 N ATOM 1641 CA VAL B 10 -10.859 -0.450 7.732 1.00 0.22 C ATOM 1642 C VAL B 10 -10.319 -1.108 8.998 1.00 0.20 C ATOM 1643 O VAL B 10 -9.621 -0.485 9.772 1.00 0.21 O ATOM 1644 CB VAL B 10 -10.171 -1.026 6.486 1.00 0.22 C ATOM 1645 CG1 VAL B 10 -8.777 -1.549 6.840 1.00 0.34 C ATOM 1646 CG2 VAL B 10 -11.008 -2.178 5.930 1.00 0.37 C ATOM 0 H VAL B 10 -9.736 1.340 7.402 1.00 0.24 H new ATOM 0 HA VAL B 10 -11.928 -0.645 7.646 1.00 0.22 H new ATOM 0 HB VAL B 10 -10.078 -0.236 5.741 1.00 0.22 H new ATOM 0 HG11 VAL B 10 -8.303 -1.954 5.946 1.00 0.34 H new ATOM 0 HG12 VAL B 10 -8.171 -0.733 7.234 1.00 0.34 H new ATOM 0 HG13 VAL B 10 -8.863 -2.333 7.592 1.00 0.34 H new ATOM 0 HG21 VAL B 10 -10.521 -2.588 5.045 1.00 0.37 H new ATOM 0 HG22 VAL B 10 -11.102 -2.957 6.686 1.00 0.37 H new ATOM 0 HG23 VAL B 10 -11.999 -1.811 5.661 1.00 0.37 H new ATOM 1656 N ARG B 11 -10.671 -2.344 9.240 1.00 0.19 N ATOM 1657 CA ARG B 11 -10.215 -3.015 10.488 1.00 0.20 C ATOM 1658 C ARG B 11 -9.759 -4.440 10.204 1.00 0.21 C ATOM 1659 O ARG B 11 -9.984 -4.985 9.141 1.00 0.22 O ATOM 1660 CB ARG B 11 -11.382 -3.070 11.467 1.00 0.22 C ATOM 1661 CG ARG B 11 -12.119 -1.732 11.468 1.00 0.51 C ATOM 1662 CD ARG B 11 -13.131 -1.714 12.612 1.00 0.49 C ATOM 1663 NE ARG B 11 -12.685 -0.747 13.652 1.00 1.28 N ATOM 1664 CZ ARG B 11 -12.912 0.528 13.495 1.00 1.53 C ATOM 1665 NH1 ARG B 11 -13.539 0.953 12.432 1.00 1.59 N ATOM 1666 NH2 ARG B 11 -12.513 1.378 14.401 1.00 2.37 N ATOM 0 H ARG B 11 -11.253 -2.915 8.627 1.00 0.19 H new ATOM 0 HA ARG B 11 -9.379 -2.451 10.902 1.00 0.20 H new ATOM 0 HB2 ARG B 11 -12.065 -3.872 11.188 1.00 0.22 H new ATOM 0 HB3 ARG B 11 -11.018 -3.296 12.469 1.00 0.22 H new ATOM 0 HG2 ARG B 11 -11.409 -0.913 11.582 1.00 0.51 H new ATOM 0 HG3 ARG B 11 -12.627 -1.583 10.515 1.00 0.51 H new ATOM 0 HD2 ARG B 11 -14.115 -1.433 12.237 1.00 0.49 H new ATOM 0 HD3 ARG B 11 -13.226 -2.710 13.043 1.00 0.49 H new ATOM 0 HE ARG B 11 -12.203 -1.081 14.486 1.00 1.28 H new ATOM 0 HH11 ARG B 11 -13.851 0.288 11.724 1.00 1.59 H new ATOM 0 HH12 ARG B 11 -13.717 1.950 12.309 1.00 1.59 H new ATOM 0 HH21 ARG B 11 -12.024 1.046 15.232 1.00 2.37 H new ATOM 0 HH22 ARG B 11 -12.690 2.375 14.278 1.00 2.37 H new ATOM 1680 N LYS B 12 -9.123 -5.044 11.166 1.00 0.22 N ATOM 1681 CA LYS B 12 -8.647 -6.437 10.994 1.00 0.25 C ATOM 1682 C LYS B 12 -9.757 -7.389 11.398 1.00 0.25 C ATOM 1683 O LYS B 12 -9.688 -8.578 11.157 1.00 0.31 O ATOM 1684 CB LYS B 12 -7.444 -6.681 11.896 1.00 0.31 C ATOM 1685 CG LYS B 12 -7.906 -6.765 13.352 1.00 0.43 C ATOM 1686 CD LYS B 12 -6.792 -6.260 14.271 1.00 1.00 C ATOM 1687 CE LYS B 12 -6.929 -6.909 15.648 1.00 0.99 C ATOM 1688 NZ LYS B 12 -5.891 -6.353 16.563 1.00 1.75 N ATOM 0 H LYS B 12 -8.912 -4.626 12.072 1.00 0.22 H new ATOM 0 HA LYS B 12 -8.366 -6.600 9.953 1.00 0.25 H new ATOM 0 HB2 LYS B 12 -6.942 -7.605 11.609 1.00 0.31 H new ATOM 0 HB3 LYS B 12 -6.719 -5.875 11.779 1.00 0.31 H new ATOM 0 HG2 LYS B 12 -8.807 -6.168 13.494 1.00 0.43 H new ATOM 0 HG3 LYS B 12 -8.162 -7.794 13.605 1.00 0.43 H new ATOM 0 HD2 LYS B 12 -5.818 -6.496 13.842 1.00 1.00 H new ATOM 0 HD3 LYS B 12 -6.846 -5.175 14.362 1.00 1.00 H new ATOM 0 HE2 LYS B 12 -7.924 -6.723 16.053 1.00 0.99 H new ATOM 0 HE3 LYS B 12 -6.816 -7.990 15.566 1.00 0.99 H new ATOM 0 HZ1 LYS B 12 -6.289 -6.252 17.519 1.00 1.75 H new ATOM 0 HZ2 LYS B 12 -5.075 -6.997 16.594 1.00 1.75 H new ATOM 0 HZ3 LYS B 12 -5.585 -5.422 16.216 1.00 1.75 H new ATOM 1702 N THR B 13 -10.787 -6.884 12.014 1.00 0.25 N ATOM 1703 CA THR B 13 -11.882 -7.794 12.419 1.00 0.36 C ATOM 1704 C THR B 13 -12.691 -8.134 11.172 1.00 0.49 C ATOM 1705 O THR B 13 -12.760 -9.275 10.765 1.00 0.91 O ATOM 1706 CB THR B 13 -12.781 -7.166 13.501 1.00 0.45 C ATOM 1707 OG1 THR B 13 -14.100 -7.671 13.360 1.00 1.19 O ATOM 1708 CG2 THR B 13 -12.810 -5.641 13.381 1.00 1.07 C ATOM 0 H THR B 13 -10.915 -5.900 12.249 1.00 0.25 H new ATOM 0 HA THR B 13 -11.459 -8.697 12.859 1.00 0.36 H new ATOM 0 HB THR B 13 -12.376 -7.425 14.479 1.00 0.45 H new ATOM 0 HG1 THR B 13 -14.677 -7.276 14.047 1.00 1.19 H new ATOM 0 HG21 THR B 13 -13.453 -5.227 14.158 1.00 1.07 H new ATOM 0 HG22 THR B 13 -11.800 -5.248 13.498 1.00 1.07 H new ATOM 0 HG23 THR B 13 -13.198 -5.360 12.402 1.00 1.07 H new ATOM 1716 N LYS B 14 -13.327 -7.168 10.569 1.00 0.31 N ATOM 1717 CA LYS B 14 -14.146 -7.456 9.367 1.00 0.38 C ATOM 1718 C LYS B 14 -13.278 -8.092 8.292 1.00 0.44 C ATOM 1719 O LYS B 14 -12.107 -7.801 8.155 1.00 1.02 O ATOM 1720 CB LYS B 14 -14.721 -6.147 8.841 1.00 0.41 C ATOM 1721 CG LYS B 14 -15.605 -5.529 9.923 1.00 0.68 C ATOM 1722 CD LYS B 14 -15.279 -4.043 10.091 1.00 0.90 C ATOM 1723 CE LYS B 14 -16.048 -3.490 11.293 1.00 1.34 C ATOM 1724 NZ LYS B 14 -17.137 -4.436 11.665 1.00 1.47 N ATOM 0 H LYS B 14 -13.312 -6.191 10.860 1.00 0.31 H new ATOM 0 HA LYS B 14 -14.952 -8.142 9.628 1.00 0.38 H new ATOM 0 HB2 LYS B 14 -13.917 -5.462 8.574 1.00 0.41 H new ATOM 0 HB3 LYS B 14 -15.301 -6.326 7.936 1.00 0.41 H new ATOM 0 HG2 LYS B 14 -16.655 -5.650 9.657 1.00 0.68 H new ATOM 0 HG3 LYS B 14 -15.453 -6.051 10.868 1.00 0.68 H new ATOM 0 HD2 LYS B 14 -14.207 -3.908 10.237 1.00 0.90 H new ATOM 0 HD3 LYS B 14 -15.549 -3.495 9.188 1.00 0.90 H new ATOM 0 HE2 LYS B 14 -15.372 -3.347 12.136 1.00 1.34 H new ATOM 0 HE3 LYS B 14 -16.467 -2.513 11.052 1.00 1.34 H new ATOM 0 HZ1 LYS B 14 -17.732 -4.008 12.402 1.00 1.47 H new ATOM 0 HZ2 LYS B 14 -17.718 -4.643 10.828 1.00 1.47 H new ATOM 0 HZ3 LYS B 14 -16.722 -5.319 12.025 1.00 1.47 H new ATOM 1738 N ASN B 15 -13.863 -8.963 7.532 1.00 0.41 N ATOM 1739 CA ASN B 15 -13.106 -9.643 6.457 1.00 0.31 C ATOM 1740 C ASN B 15 -12.961 -8.696 5.277 1.00 0.26 C ATOM 1741 O ASN B 15 -13.439 -7.579 5.298 1.00 0.30 O ATOM 1742 CB ASN B 15 -13.854 -10.903 6.019 1.00 0.39 C ATOM 1743 CG ASN B 15 -12.897 -12.096 6.045 1.00 0.53 C ATOM 1744 OD1 ASN B 15 -11.929 -12.130 5.311 1.00 1.22 O ATOM 1745 ND2 ASN B 15 -13.128 -13.084 6.866 1.00 1.21 N ATOM 0 H ASN B 15 -14.843 -9.236 7.610 1.00 0.41 H new ATOM 0 HA ASN B 15 -12.119 -9.925 6.824 1.00 0.31 H new ATOM 0 HB2 ASN B 15 -14.700 -11.086 6.682 1.00 0.39 H new ATOM 0 HB3 ASN B 15 -14.259 -10.769 5.016 1.00 0.39 H new ATOM 0 HD21 ASN B 15 -12.496 -13.884 6.891 1.00 1.21 H new ATOM 0 HD22 ASN B 15 -13.940 -13.056 7.482 1.00 1.21 H new ATOM 1752 N VAL B 16 -12.322 -9.137 4.239 1.00 0.24 N ATOM 1753 CA VAL B 16 -12.169 -8.267 3.052 1.00 0.25 C ATOM 1754 C VAL B 16 -13.493 -8.251 2.295 1.00 0.24 C ATOM 1755 O VAL B 16 -13.877 -7.263 1.696 1.00 0.25 O ATOM 1756 CB VAL B 16 -11.066 -8.826 2.149 1.00 0.28 C ATOM 1757 CG1 VAL B 16 -9.894 -9.298 3.012 1.00 0.26 C ATOM 1758 CG2 VAL B 16 -11.609 -10.014 1.347 1.00 0.45 C ATOM 0 H VAL B 16 -11.899 -10.062 4.161 1.00 0.24 H new ATOM 0 HA VAL B 16 -11.900 -7.256 3.357 1.00 0.25 H new ATOM 0 HB VAL B 16 -10.731 -8.046 1.465 1.00 0.28 H new ATOM 0 HG11 VAL B 16 -9.108 -9.696 2.371 1.00 0.26 H new ATOM 0 HG12 VAL B 16 -9.503 -8.458 3.586 1.00 0.26 H new ATOM 0 HG13 VAL B 16 -10.235 -10.076 3.694 1.00 0.26 H new ATOM 0 HG21 VAL B 16 -10.822 -10.410 0.705 1.00 0.45 H new ATOM 0 HG22 VAL B 16 -11.945 -10.793 2.032 1.00 0.45 H new ATOM 0 HG23 VAL B 16 -12.447 -9.686 0.733 1.00 0.45 H new ATOM 1768 N GLU B 17 -14.208 -9.338 2.339 1.00 0.24 N ATOM 1769 CA GLU B 17 -15.504 -9.389 1.636 1.00 0.27 C ATOM 1770 C GLU B 17 -16.554 -8.718 2.504 1.00 0.28 C ATOM 1771 O GLU B 17 -17.468 -8.095 2.008 1.00 0.30 O ATOM 1772 CB GLU B 17 -15.883 -10.848 1.349 1.00 0.37 C ATOM 1773 CG GLU B 17 -16.726 -11.417 2.489 1.00 0.79 C ATOM 1774 CD GLU B 17 -16.842 -12.933 2.324 1.00 1.09 C ATOM 1775 OE1 GLU B 17 -17.727 -13.365 1.602 1.00 1.53 O ATOM 1776 OE2 GLU B 17 -16.044 -13.638 2.919 1.00 1.70 O ATOM 0 H GLU B 17 -13.946 -10.191 2.833 1.00 0.24 H new ATOM 0 HA GLU B 17 -15.438 -8.864 0.683 1.00 0.27 H new ATOM 0 HB2 GLU B 17 -16.439 -10.908 0.413 1.00 0.37 H new ATOM 0 HB3 GLU B 17 -14.981 -11.446 1.223 1.00 0.37 H new ATOM 0 HG2 GLU B 17 -16.269 -11.178 3.449 1.00 0.79 H new ATOM 0 HG3 GLU B 17 -17.717 -10.962 2.486 1.00 0.79 H new ATOM 1783 N ASP B 18 -16.447 -8.827 3.799 1.00 0.29 N ATOM 1784 CA ASP B 18 -17.452 -8.187 4.671 1.00 0.35 C ATOM 1785 C ASP B 18 -17.340 -6.669 4.563 1.00 0.32 C ATOM 1786 O ASP B 18 -18.323 -5.957 4.708 1.00 0.32 O ATOM 1787 CB ASP B 18 -17.185 -8.619 6.112 1.00 0.43 C ATOM 1788 CG ASP B 18 -18.326 -8.147 7.015 1.00 0.66 C ATOM 1789 OD1 ASP B 18 -19.160 -7.394 6.541 1.00 1.19 O ATOM 1790 OD2 ASP B 18 -18.347 -8.551 8.167 1.00 1.46 O ATOM 0 H ASP B 18 -15.706 -9.332 4.284 1.00 0.29 H new ATOM 0 HA ASP B 18 -18.455 -8.488 4.367 1.00 0.35 H new ATOM 0 HB2 ASP B 18 -17.092 -9.704 6.165 1.00 0.43 H new ATOM 0 HB3 ASP B 18 -16.239 -8.201 6.457 1.00 0.43 H new ATOM 1795 N HIS B 19 -16.176 -6.141 4.268 1.00 0.31 N ATOM 1796 CA HIS B 19 -16.059 -4.667 4.127 1.00 0.31 C ATOM 1797 C HIS B 19 -16.294 -4.296 2.663 1.00 0.27 C ATOM 1798 O HIS B 19 -16.641 -3.175 2.352 1.00 0.30 O ATOM 1799 CB HIS B 19 -14.656 -4.220 4.544 1.00 0.35 C ATOM 1800 CG HIS B 19 -14.759 -3.087 5.528 1.00 0.49 C ATOM 1801 ND1 HIS B 19 -14.080 -3.094 6.738 1.00 1.21 N ATOM 1802 CD2 HIS B 19 -15.456 -1.904 5.496 1.00 1.40 C ATOM 1803 CE1 HIS B 19 -14.379 -1.949 7.379 1.00 1.22 C ATOM 1804 NE2 HIS B 19 -15.212 -1.190 6.664 1.00 1.39 N ATOM 0 H HIS B 19 -15.314 -6.666 4.121 1.00 0.31 H new ATOM 0 HA HIS B 19 -16.795 -4.175 4.762 1.00 0.31 H new ATOM 0 HB2 HIS B 19 -14.115 -5.055 4.990 1.00 0.35 H new ATOM 0 HB3 HIS B 19 -14.089 -3.904 3.668 1.00 0.35 H new ATOM 0 HD2 HIS B 19 -16.095 -1.579 4.688 1.00 1.40 H new ATOM 0 HE1 HIS B 19 -13.993 -1.678 8.351 1.00 1.22 H new ATOM 0 HE2 HIS B 19 -15.590 -0.278 6.920 1.00 1.39 H new ATOM 1813 N VAL B 20 -16.184 -5.241 1.762 1.00 0.23 N ATOM 1814 CA VAL B 20 -16.490 -4.916 0.342 1.00 0.22 C ATOM 1815 C VAL B 20 -18.008 -4.804 0.282 1.00 0.22 C ATOM 1816 O VAL B 20 -18.583 -4.064 -0.492 1.00 0.23 O ATOM 1817 CB VAL B 20 -15.971 -6.032 -0.589 1.00 0.25 C ATOM 1818 CG1 VAL B 20 -17.111 -6.955 -1.040 1.00 0.34 C ATOM 1819 CG2 VAL B 20 -15.324 -5.401 -1.822 1.00 0.34 C ATOM 0 H VAL B 20 -15.901 -6.204 1.946 1.00 0.23 H new ATOM 0 HA VAL B 20 -16.008 -3.996 0.012 1.00 0.22 H new ATOM 0 HB VAL B 20 -15.242 -6.626 -0.037 1.00 0.25 H new ATOM 0 HG11 VAL B 20 -16.714 -7.731 -1.695 1.00 0.34 H new ATOM 0 HG12 VAL B 20 -17.572 -7.418 -0.167 1.00 0.34 H new ATOM 0 HG13 VAL B 20 -17.859 -6.373 -1.579 1.00 0.34 H new ATOM 0 HG21 VAL B 20 -14.956 -6.187 -2.482 1.00 0.34 H new ATOM 0 HG22 VAL B 20 -16.062 -4.798 -2.352 1.00 0.34 H new ATOM 0 HG23 VAL B 20 -14.492 -4.768 -1.513 1.00 0.34 H new ATOM 1829 N LEU B 21 -18.639 -5.545 1.148 1.00 0.23 N ATOM 1830 CA LEU B 21 -20.119 -5.530 1.243 1.00 0.26 C ATOM 1831 C LEU B 21 -20.554 -4.185 1.814 1.00 0.26 C ATOM 1832 O LEU B 21 -21.395 -3.499 1.261 1.00 0.27 O ATOM 1833 CB LEU B 21 -20.582 -6.640 2.189 1.00 0.29 C ATOM 1834 CG LEU B 21 -20.563 -7.994 1.468 1.00 0.32 C ATOM 1835 CD1 LEU B 21 -20.856 -9.107 2.475 1.00 0.36 C ATOM 1836 CD2 LEU B 21 -21.626 -8.024 0.361 1.00 0.38 C ATOM 0 H LEU B 21 -18.178 -6.173 1.807 1.00 0.23 H new ATOM 0 HA LEU B 21 -20.555 -5.686 0.256 1.00 0.26 H new ATOM 0 HB2 LEU B 21 -19.933 -6.677 3.064 1.00 0.29 H new ATOM 0 HB3 LEU B 21 -21.588 -6.425 2.548 1.00 0.29 H new ATOM 0 HG LEU B 21 -19.580 -8.142 1.021 1.00 0.32 H new ATOM 0 HD11 LEU B 21 -20.843 -10.071 1.966 1.00 0.36 H new ATOM 0 HD12 LEU B 21 -20.097 -9.099 3.257 1.00 0.36 H new ATOM 0 HD13 LEU B 21 -21.837 -8.945 2.921 1.00 0.36 H new ATOM 0 HD21 LEU B 21 -21.601 -8.991 -0.142 1.00 0.38 H new ATOM 0 HD22 LEU B 21 -22.612 -7.869 0.799 1.00 0.38 H new ATOM 0 HD23 LEU B 21 -21.421 -7.234 -0.361 1.00 0.38 H new ATOM 1848 N ASP B 22 -19.977 -3.779 2.911 1.00 0.27 N ATOM 1849 CA ASP B 22 -20.364 -2.465 3.489 1.00 0.30 C ATOM 1850 C ASP B 22 -19.942 -1.345 2.531 1.00 0.28 C ATOM 1851 O ASP B 22 -20.521 -0.278 2.514 1.00 0.31 O ATOM 1852 CB ASP B 22 -19.670 -2.272 4.839 1.00 0.33 C ATOM 1853 CG ASP B 22 -20.378 -1.166 5.622 1.00 0.42 C ATOM 1854 OD1 ASP B 22 -21.265 -0.543 5.061 1.00 1.21 O ATOM 1855 OD2 ASP B 22 -20.023 -0.959 6.770 1.00 1.00 O ATOM 0 H ASP B 22 -19.263 -4.294 3.426 1.00 0.27 H new ATOM 0 HA ASP B 22 -21.444 -2.435 3.632 1.00 0.30 H new ATOM 0 HB2 ASP B 22 -19.689 -3.203 5.406 1.00 0.33 H new ATOM 0 HB3 ASP B 22 -18.622 -2.012 4.688 1.00 0.33 H new ATOM 1860 N VAL B 23 -18.933 -1.580 1.735 1.00 0.26 N ATOM 1861 CA VAL B 23 -18.477 -0.529 0.779 1.00 0.27 C ATOM 1862 C VAL B 23 -19.466 -0.427 -0.388 1.00 0.26 C ATOM 1863 O VAL B 23 -19.987 0.634 -0.684 1.00 0.28 O ATOM 1864 CB VAL B 23 -17.082 -0.870 0.246 1.00 0.26 C ATOM 1865 CG1 VAL B 23 -16.711 0.117 -0.862 1.00 0.29 C ATOM 1866 CG2 VAL B 23 -16.062 -0.752 1.381 1.00 0.30 C ATOM 0 H VAL B 23 -18.406 -2.453 1.705 1.00 0.26 H new ATOM 0 HA VAL B 23 -18.433 0.428 1.300 1.00 0.27 H new ATOM 0 HB VAL B 23 -17.080 -1.887 -0.147 1.00 0.26 H new ATOM 0 HG11 VAL B 23 -15.719 -0.122 -1.245 1.00 0.29 H new ATOM 0 HG12 VAL B 23 -17.438 0.046 -1.671 1.00 0.29 H new ATOM 0 HG13 VAL B 23 -16.711 1.131 -0.461 1.00 0.29 H new ATOM 0 HG21 VAL B 23 -15.068 -0.994 1.004 1.00 0.30 H new ATOM 0 HG22 VAL B 23 -16.065 0.267 1.768 1.00 0.30 H new ATOM 0 HG23 VAL B 23 -16.325 -1.445 2.180 1.00 0.30 H new ATOM 1876 N ILE B 24 -19.734 -1.521 -1.056 1.00 0.23 N ATOM 1877 CA ILE B 24 -20.692 -1.467 -2.196 1.00 0.25 C ATOM 1878 C ILE B 24 -22.025 -0.934 -1.685 1.00 0.26 C ATOM 1879 O ILE B 24 -22.839 -0.445 -2.442 1.00 0.28 O ATOM 1880 CB ILE B 24 -20.880 -2.866 -2.805 1.00 0.27 C ATOM 1881 CG1 ILE B 24 -21.287 -2.737 -4.276 1.00 0.46 C ATOM 1882 CG2 ILE B 24 -21.986 -3.615 -2.060 1.00 0.36 C ATOM 1883 CD1 ILE B 24 -20.058 -2.465 -5.143 1.00 0.69 C ATOM 0 H ILE B 24 -19.334 -2.439 -0.862 1.00 0.23 H new ATOM 0 HA ILE B 24 -20.302 -0.809 -2.973 1.00 0.25 H new ATOM 0 HB ILE B 24 -19.941 -3.413 -2.721 1.00 0.27 H new ATOM 0 HG12 ILE B 24 -21.778 -3.652 -4.606 1.00 0.46 H new ATOM 0 HG13 ILE B 24 -22.009 -1.928 -4.391 1.00 0.46 H new ATOM 0 HG21 ILE B 24 -22.113 -4.605 -2.497 1.00 0.36 H new ATOM 0 HG22 ILE B 24 -21.714 -3.715 -1.009 1.00 0.36 H new ATOM 0 HG23 ILE B 24 -22.920 -3.060 -2.142 1.00 0.36 H new ATOM 0 HD11 ILE B 24 -20.361 -2.375 -6.186 1.00 0.69 H new ATOM 0 HD12 ILE B 24 -19.584 -1.537 -4.822 1.00 0.69 H new ATOM 0 HD13 ILE B 24 -19.351 -3.288 -5.040 1.00 0.69 H new ATOM 1895 N VAL B 25 -22.253 -1.005 -0.400 1.00 0.27 N ATOM 1896 CA VAL B 25 -23.533 -0.477 0.146 1.00 0.30 C ATOM 1897 C VAL B 25 -23.530 1.057 0.066 1.00 0.30 C ATOM 1898 O VAL B 25 -24.525 1.663 -0.275 1.00 0.32 O ATOM 1899 CB VAL B 25 -23.693 -0.924 1.602 1.00 0.33 C ATOM 1900 CG1 VAL B 25 -24.851 -0.161 2.252 1.00 0.42 C ATOM 1901 CG2 VAL B 25 -23.992 -2.424 1.640 1.00 0.37 C ATOM 0 H VAL B 25 -21.613 -1.402 0.288 1.00 0.27 H new ATOM 0 HA VAL B 25 -24.367 -0.864 -0.439 1.00 0.30 H new ATOM 0 HB VAL B 25 -22.772 -0.717 2.147 1.00 0.33 H new ATOM 0 HG11 VAL B 25 -24.962 -0.482 3.288 1.00 0.42 H new ATOM 0 HG12 VAL B 25 -24.643 0.909 2.223 1.00 0.42 H new ATOM 0 HG13 VAL B 25 -25.773 -0.366 1.708 1.00 0.42 H new ATOM 0 HG21 VAL B 25 -24.107 -2.746 2.675 1.00 0.37 H new ATOM 0 HG22 VAL B 25 -24.913 -2.625 1.093 1.00 0.37 H new ATOM 0 HG23 VAL B 25 -23.170 -2.971 1.179 1.00 0.37 H new ATOM 1911 N LEU B 26 -22.431 1.702 0.379 1.00 0.30 N ATOM 1912 CA LEU B 26 -22.398 3.195 0.311 1.00 0.32 C ATOM 1913 C LEU B 26 -22.448 3.649 -1.154 1.00 0.31 C ATOM 1914 O LEU B 26 -23.094 4.626 -1.495 1.00 0.33 O ATOM 1915 CB LEU B 26 -21.119 3.726 0.970 1.00 0.35 C ATOM 1916 CG LEU B 26 -20.597 2.733 2.015 1.00 0.61 C ATOM 1917 CD1 LEU B 26 -19.421 3.358 2.767 1.00 0.47 C ATOM 1918 CD2 LEU B 26 -21.710 2.397 3.012 1.00 1.15 C ATOM 0 H LEU B 26 -21.561 1.261 0.677 1.00 0.30 H new ATOM 0 HA LEU B 26 -23.263 3.591 0.843 1.00 0.32 H new ATOM 0 HB2 LEU B 26 -20.356 3.897 0.210 1.00 0.35 H new ATOM 0 HB3 LEU B 26 -21.319 4.688 1.443 1.00 0.35 H new ATOM 0 HG LEU B 26 -20.272 1.822 1.513 1.00 0.61 H new ATOM 0 HD11 LEU B 26 -19.049 2.653 3.510 1.00 0.47 H new ATOM 0 HD12 LEU B 26 -18.624 3.597 2.063 1.00 0.47 H new ATOM 0 HD13 LEU B 26 -19.751 4.270 3.265 1.00 0.47 H new ATOM 0 HD21 LEU B 26 -21.334 1.691 3.753 1.00 1.15 H new ATOM 0 HD22 LEU B 26 -22.037 3.308 3.513 1.00 1.15 H new ATOM 0 HD23 LEU B 26 -22.552 1.952 2.481 1.00 1.15 H new ATOM 1930 N PHE B 27 -21.790 2.943 -2.032 1.00 0.29 N ATOM 1931 CA PHE B 27 -21.846 3.340 -3.468 1.00 0.31 C ATOM 1932 C PHE B 27 -23.313 3.299 -3.874 1.00 0.32 C ATOM 1933 O PHE B 27 -23.775 4.030 -4.727 1.00 0.34 O ATOM 1934 CB PHE B 27 -21.042 2.352 -4.313 1.00 0.32 C ATOM 1935 CG PHE B 27 -21.579 2.342 -5.725 1.00 0.42 C ATOM 1936 CD1 PHE B 27 -21.485 3.493 -6.515 1.00 1.18 C ATOM 1937 CD2 PHE B 27 -22.169 1.182 -6.245 1.00 1.37 C ATOM 1938 CE1 PHE B 27 -21.980 3.486 -7.825 1.00 1.22 C ATOM 1939 CE2 PHE B 27 -22.665 1.176 -7.555 1.00 1.46 C ATOM 1940 CZ PHE B 27 -22.570 2.329 -8.345 1.00 0.70 C ATOM 0 H PHE B 27 -21.224 2.121 -1.823 1.00 0.29 H new ATOM 0 HA PHE B 27 -21.423 4.333 -3.620 1.00 0.31 H new ATOM 0 HB2 PHE B 27 -19.989 2.632 -4.315 1.00 0.32 H new ATOM 0 HB3 PHE B 27 -21.105 1.353 -3.882 1.00 0.32 H new ATOM 0 HD1 PHE B 27 -21.031 4.387 -6.114 1.00 1.18 H new ATOM 0 HD2 PHE B 27 -22.241 0.293 -5.636 1.00 1.37 H new ATOM 0 HE1 PHE B 27 -21.906 4.375 -8.434 1.00 1.22 H new ATOM 0 HE2 PHE B 27 -23.121 0.283 -7.956 1.00 1.46 H new ATOM 0 HZ PHE B 27 -22.952 2.325 -9.355 1.00 0.70 H new ATOM 1950 N ASN B 28 -24.039 2.438 -3.226 1.00 0.31 N ATOM 1951 CA ASN B 28 -25.494 2.309 -3.508 1.00 0.34 C ATOM 1952 C ASN B 28 -26.177 3.647 -3.221 1.00 0.35 C ATOM 1953 O ASN B 28 -27.208 3.959 -3.782 1.00 0.36 O ATOM 1954 CB ASN B 28 -26.097 1.224 -2.621 1.00 0.36 C ATOM 1955 CG ASN B 28 -27.029 0.344 -3.454 1.00 0.43 C ATOM 1956 OD1 ASN B 28 -28.236 0.430 -3.333 1.00 1.17 O ATOM 1957 ND2 ASN B 28 -26.519 -0.504 -4.304 1.00 0.97 N ATOM 0 H ASN B 28 -23.684 1.810 -2.505 1.00 0.31 H new ATOM 0 HA ASN B 28 -25.642 2.036 -4.553 1.00 0.34 H new ATOM 0 HB2 ASN B 28 -25.305 0.618 -2.180 1.00 0.36 H new ATOM 0 HB3 ASN B 28 -26.648 1.678 -1.797 1.00 0.36 H new ATOM 0 HD21 ASN B 28 -27.132 -1.094 -4.866 1.00 0.97 H new ATOM 0 HD22 ASN B 28 -25.507 -0.577 -4.406 1.00 0.97 H new ATOM 1964 N GLN B 29 -25.607 4.448 -2.356 1.00 0.35 N ATOM 1965 CA GLN B 29 -26.225 5.768 -2.047 1.00 0.38 C ATOM 1966 C GLN B 29 -25.663 6.821 -3.000 1.00 0.39 C ATOM 1967 O GLN B 29 -26.116 7.949 -3.030 1.00 0.44 O ATOM 1968 CB GLN B 29 -25.899 6.165 -0.605 1.00 0.39 C ATOM 1969 CG GLN B 29 -26.345 5.054 0.347 1.00 0.39 C ATOM 1970 CD GLN B 29 -26.016 5.455 1.786 1.00 0.42 C ATOM 1971 OE1 GLN B 29 -26.384 4.770 2.719 1.00 1.12 O ATOM 1972 NE2 GLN B 29 -25.331 6.545 2.006 1.00 1.17 N ATOM 0 H GLN B 29 -24.743 4.244 -1.853 1.00 0.35 H new ATOM 0 HA GLN B 29 -27.306 5.700 -2.167 1.00 0.38 H new ATOM 0 HB2 GLN B 29 -24.828 6.341 -0.499 1.00 0.39 H new ATOM 0 HB3 GLN B 29 -26.402 7.098 -0.352 1.00 0.39 H new ATOM 0 HG2 GLN B 29 -27.416 4.879 0.243 1.00 0.39 H new ATOM 0 HG3 GLN B 29 -25.843 4.120 0.094 1.00 0.39 H new ATOM 0 HE21 GLN B 29 -25.022 7.120 1.222 1.00 1.17 H new ATOM 0 HE22 GLN B 29 -25.105 6.821 2.962 1.00 1.17 H new ATOM 1981 N GLY B 30 -24.681 6.452 -3.782 1.00 0.35 N ATOM 1982 CA GLY B 30 -24.078 7.415 -4.749 1.00 0.38 C ATOM 1983 C GLY B 30 -22.643 7.755 -4.335 1.00 0.34 C ATOM 1984 O GLY B 30 -22.064 8.705 -4.825 1.00 0.36 O ATOM 0 H GLY B 30 -24.269 5.519 -3.791 1.00 0.35 H new ATOM 0 HA2 GLY B 30 -24.083 6.986 -5.751 1.00 0.38 H new ATOM 0 HA3 GLY B 30 -24.678 8.324 -4.789 1.00 0.38 H new ATOM 1988 N ILE B 31 -22.051 6.993 -3.453 1.00 0.31 N ATOM 1989 CA ILE B 31 -20.648 7.308 -3.052 1.00 0.29 C ATOM 1990 C ILE B 31 -19.712 6.845 -4.164 1.00 0.26 C ATOM 1991 O ILE B 31 -19.477 5.666 -4.340 1.00 0.25 O ATOM 1992 CB ILE B 31 -20.305 6.591 -1.743 1.00 0.29 C ATOM 1993 CG1 ILE B 31 -21.251 7.056 -0.621 1.00 0.41 C ATOM 1994 CG2 ILE B 31 -18.858 6.891 -1.349 1.00 0.31 C ATOM 1995 CD1 ILE B 31 -21.225 8.585 -0.477 1.00 0.59 C ATOM 0 H ILE B 31 -22.469 6.180 -3.000 1.00 0.31 H new ATOM 0 HA ILE B 31 -20.536 8.381 -2.896 1.00 0.29 H new ATOM 0 HB ILE B 31 -20.425 5.517 -1.889 1.00 0.29 H new ATOM 0 HG12 ILE B 31 -22.267 6.725 -0.836 1.00 0.41 H new ATOM 0 HG13 ILE B 31 -20.958 6.593 0.321 1.00 0.41 H new ATOM 0 HG21 ILE B 31 -18.621 6.378 -0.417 1.00 0.31 H new ATOM 0 HG22 ILE B 31 -18.187 6.544 -2.135 1.00 0.31 H new ATOM 0 HG23 ILE B 31 -18.733 7.965 -1.214 1.00 0.31 H new ATOM 0 HD11 ILE B 31 -21.902 8.887 0.322 1.00 0.59 H new ATOM 0 HD12 ILE B 31 -20.213 8.911 -0.238 1.00 0.59 H new ATOM 0 HD13 ILE B 31 -21.542 9.044 -1.413 1.00 0.59 H new ATOM 2007 N ASP B 32 -19.172 7.767 -4.919 1.00 0.27 N ATOM 2008 CA ASP B 32 -18.252 7.382 -6.010 1.00 0.27 C ATOM 2009 C ASP B 32 -16.814 7.352 -5.500 1.00 0.27 C ATOM 2010 O ASP B 32 -16.021 6.533 -5.920 1.00 0.29 O ATOM 2011 CB ASP B 32 -18.372 8.390 -7.155 1.00 0.29 C ATOM 2012 CG ASP B 32 -18.519 9.802 -6.585 1.00 0.66 C ATOM 2013 OD1 ASP B 32 -19.577 10.097 -6.055 1.00 1.25 O ATOM 2014 OD2 ASP B 32 -17.574 10.564 -6.693 1.00 1.46 O ATOM 0 H ASP B 32 -19.334 8.769 -4.820 1.00 0.27 H new ATOM 0 HA ASP B 32 -18.519 6.388 -6.368 1.00 0.27 H new ATOM 0 HB2 ASP B 32 -17.491 8.335 -7.794 1.00 0.29 H new ATOM 0 HB3 ASP B 32 -19.233 8.147 -7.778 1.00 0.29 H new ATOM 2019 N GLU B 33 -16.466 8.261 -4.617 1.00 0.27 N ATOM 2020 CA GLU B 33 -15.076 8.316 -4.096 1.00 0.28 C ATOM 2021 C GLU B 33 -15.003 7.711 -2.702 1.00 0.26 C ATOM 2022 O GLU B 33 -15.891 7.873 -1.893 1.00 0.28 O ATOM 2023 CB GLU B 33 -14.603 9.764 -4.030 1.00 0.30 C ATOM 2024 CG GLU B 33 -15.267 10.558 -5.153 1.00 0.60 C ATOM 2025 CD GLU B 33 -14.371 11.732 -5.557 1.00 0.49 C ATOM 2026 OE1 GLU B 33 -13.181 11.518 -5.716 1.00 1.08 O ATOM 2027 OE2 GLU B 33 -14.892 12.826 -5.700 1.00 1.20 O ATOM 0 H GLU B 33 -17.095 8.968 -4.237 1.00 0.27 H new ATOM 0 HA GLU B 33 -14.437 7.746 -4.770 1.00 0.28 H new ATOM 0 HB2 GLU B 33 -14.855 10.198 -3.063 1.00 0.30 H new ATOM 0 HB3 GLU B 33 -13.518 9.810 -4.127 1.00 0.30 H new ATOM 0 HG2 GLU B 33 -15.445 9.911 -6.012 1.00 0.60 H new ATOM 0 HG3 GLU B 33 -16.239 10.926 -4.825 1.00 0.60 H new ATOM 2034 N VAL B 34 -13.951 7.007 -2.426 1.00 0.25 N ATOM 2035 CA VAL B 34 -13.822 6.378 -1.085 1.00 0.24 C ATOM 2036 C VAL B 34 -12.346 6.221 -0.699 1.00 0.24 C ATOM 2037 O VAL B 34 -11.499 5.930 -1.526 1.00 0.33 O ATOM 2038 CB VAL B 34 -14.518 5.015 -1.117 1.00 0.24 C ATOM 2039 CG1 VAL B 34 -13.833 4.112 -2.140 1.00 0.49 C ATOM 2040 CG2 VAL B 34 -14.455 4.361 0.265 1.00 0.35 C ATOM 0 H VAL B 34 -13.175 6.838 -3.066 1.00 0.25 H new ATOM 0 HA VAL B 34 -14.292 7.014 -0.335 1.00 0.24 H new ATOM 0 HB VAL B 34 -15.562 5.157 -1.398 1.00 0.24 H new ATOM 0 HG11 VAL B 34 -14.331 3.142 -2.160 1.00 0.49 H new ATOM 0 HG12 VAL B 34 -13.891 4.571 -3.127 1.00 0.49 H new ATOM 0 HG13 VAL B 34 -12.787 3.977 -1.864 1.00 0.49 H new ATOM 0 HG21 VAL B 34 -14.953 3.392 0.232 1.00 0.35 H new ATOM 0 HG22 VAL B 34 -13.413 4.224 0.556 1.00 0.35 H new ATOM 0 HG23 VAL B 34 -14.954 5.000 0.993 1.00 0.35 H new ATOM 2050 N ILE B 35 -12.049 6.435 0.563 1.00 0.20 N ATOM 2051 CA ILE B 35 -10.641 6.321 1.057 1.00 0.21 C ATOM 2052 C ILE B 35 -10.577 5.300 2.195 1.00 0.21 C ATOM 2053 O ILE B 35 -11.229 5.458 3.209 1.00 0.23 O ATOM 2054 CB ILE B 35 -10.166 7.679 1.582 1.00 0.25 C ATOM 2055 CG1 ILE B 35 -10.967 8.804 0.915 1.00 0.26 C ATOM 2056 CG2 ILE B 35 -8.678 7.854 1.271 1.00 0.31 C ATOM 2057 CD1 ILE B 35 -10.170 10.108 0.979 1.00 0.31 C ATOM 0 H ILE B 35 -12.732 6.687 1.278 1.00 0.20 H new ATOM 0 HA ILE B 35 -10.001 6.000 0.235 1.00 0.21 H new ATOM 0 HB ILE B 35 -10.320 7.722 2.660 1.00 0.25 H new ATOM 0 HG12 ILE B 35 -11.180 8.547 -0.123 1.00 0.26 H new ATOM 0 HG13 ILE B 35 -11.927 8.928 1.416 1.00 0.26 H new ATOM 0 HG21 ILE B 35 -8.339 8.820 1.644 1.00 0.31 H new ATOM 0 HG22 ILE B 35 -8.109 7.059 1.754 1.00 0.31 H new ATOM 0 HG23 ILE B 35 -8.524 7.807 0.193 1.00 0.31 H new ATOM 0 HD11 ILE B 35 -10.740 10.907 0.505 1.00 0.31 H new ATOM 0 HD12 ILE B 35 -9.980 10.367 2.020 1.00 0.31 H new ATOM 0 HD13 ILE B 35 -9.221 9.981 0.458 1.00 0.31 H new ATOM 2069 N LEU B 36 -9.790 4.261 2.039 1.00 0.23 N ATOM 2070 CA LEU B 36 -9.676 3.235 3.122 1.00 0.26 C ATOM 2071 C LEU B 36 -8.332 3.358 3.837 1.00 0.24 C ATOM 2072 O LEU B 36 -7.283 3.403 3.214 1.00 0.26 O ATOM 2073 CB LEU B 36 -9.798 1.822 2.539 1.00 0.30 C ATOM 2074 CG LEU B 36 -11.086 1.179 3.076 1.00 0.40 C ATOM 2075 CD1 LEU B 36 -12.297 1.994 2.620 1.00 0.46 C ATOM 2076 CD2 LEU B 36 -11.215 -0.255 2.559 1.00 0.48 C ATOM 0 H LEU B 36 -9.224 4.081 1.210 1.00 0.23 H new ATOM 0 HA LEU B 36 -10.485 3.408 3.832 1.00 0.26 H new ATOM 0 HB2 LEU B 36 -9.821 1.863 1.450 1.00 0.30 H new ATOM 0 HB3 LEU B 36 -8.931 1.222 2.817 1.00 0.30 H new ATOM 0 HG LEU B 36 -11.044 1.163 4.165 1.00 0.40 H new ATOM 0 HD11 LEU B 36 -13.209 1.536 3.002 1.00 0.46 H new ATOM 0 HD12 LEU B 36 -12.215 3.012 3.001 1.00 0.46 H new ATOM 0 HD13 LEU B 36 -12.331 2.016 1.531 1.00 0.46 H new ATOM 0 HD21 LEU B 36 -12.131 -0.700 2.946 1.00 0.48 H new ATOM 0 HD22 LEU B 36 -11.247 -0.247 1.470 1.00 0.48 H new ATOM 0 HD23 LEU B 36 -10.358 -0.840 2.892 1.00 0.48 H new ATOM 2088 N LYS B 37 -8.367 3.367 5.146 1.00 0.23 N ATOM 2089 CA LYS B 37 -7.104 3.429 5.937 1.00 0.23 C ATOM 2090 C LYS B 37 -6.800 2.035 6.463 1.00 0.21 C ATOM 2091 O LYS B 37 -7.639 1.401 7.073 1.00 0.20 O ATOM 2092 CB LYS B 37 -7.245 4.424 7.096 1.00 0.29 C ATOM 2093 CG LYS B 37 -6.734 3.834 8.419 1.00 1.26 C ATOM 2094 CD LYS B 37 -6.717 4.935 9.481 1.00 1.50 C ATOM 2095 CE LYS B 37 -6.044 4.412 10.752 1.00 2.39 C ATOM 2096 NZ LYS B 37 -4.564 4.458 10.584 1.00 2.74 N ATOM 0 H LYS B 37 -9.222 3.334 5.702 1.00 0.23 H new ATOM 0 HA LYS B 37 -6.285 3.772 5.304 1.00 0.23 H new ATOM 0 HB2 LYS B 37 -6.689 5.333 6.865 1.00 0.29 H new ATOM 0 HB3 LYS B 37 -8.291 4.709 7.205 1.00 0.29 H new ATOM 0 HG2 LYS B 37 -7.376 3.013 8.738 1.00 1.26 H new ATOM 0 HG3 LYS B 37 -5.733 3.423 8.286 1.00 1.26 H new ATOM 0 HD2 LYS B 37 -6.181 5.807 9.106 1.00 1.50 H new ATOM 0 HD3 LYS B 37 -7.735 5.257 9.702 1.00 1.50 H new ATOM 0 HE2 LYS B 37 -6.343 5.015 11.609 1.00 2.39 H new ATOM 0 HE3 LYS B 37 -6.367 3.390 10.953 1.00 2.39 H new ATOM 0 HZ1 LYS B 37 -4.106 4.056 11.427 1.00 2.74 H new ATOM 0 HZ2 LYS B 37 -4.292 3.906 9.746 1.00 2.74 H new ATOM 0 HZ3 LYS B 37 -4.259 5.445 10.462 1.00 2.74 H new ATOM 2110 N GLY B 38 -5.617 1.548 6.218 1.00 0.21 N ATOM 2111 CA GLY B 38 -5.261 0.176 6.692 1.00 0.22 C ATOM 2112 C GLY B 38 -3.960 0.209 7.494 1.00 0.22 C ATOM 2113 O GLY B 38 -3.053 0.948 7.178 1.00 0.24 O ATOM 0 H GLY B 38 -4.880 2.037 5.711 1.00 0.21 H new ATOM 0 HA2 GLY B 38 -6.066 -0.222 7.309 1.00 0.22 H new ATOM 0 HA3 GLY B 38 -5.153 -0.494 5.839 1.00 0.22 H new ATOM 2117 N THR B 39 -3.879 -0.570 8.551 1.00 0.22 N ATOM 2118 CA THR B 39 -2.647 -0.572 9.404 1.00 0.25 C ATOM 2119 C THR B 39 -2.163 -2.002 9.687 1.00 0.23 C ATOM 2120 O THR B 39 -2.931 -2.886 9.988 1.00 0.20 O ATOM 2121 CB THR B 39 -2.964 0.106 10.739 1.00 0.28 C ATOM 2122 OG1 THR B 39 -4.052 -0.561 11.361 1.00 0.29 O ATOM 2123 CG2 THR B 39 -3.332 1.570 10.499 1.00 0.49 C ATOM 0 H THR B 39 -4.616 -1.205 8.859 1.00 0.22 H new ATOM 0 HA THR B 39 -1.862 -0.037 8.869 1.00 0.25 H new ATOM 0 HB THR B 39 -2.088 0.057 11.386 1.00 0.28 H new ATOM 0 HG1 THR B 39 -4.255 -0.129 12.217 1.00 0.29 H new ATOM 0 HG21 THR B 39 -3.557 2.049 11.452 1.00 0.49 H new ATOM 0 HG22 THR B 39 -2.495 2.082 10.024 1.00 0.49 H new ATOM 0 HG23 THR B 39 -4.206 1.624 9.850 1.00 0.49 H new ATOM 2131 N GLY B 40 -0.873 -2.206 9.602 1.00 0.25 N ATOM 2132 CA GLY B 40 -0.267 -3.551 9.880 1.00 0.26 C ATOM 2133 C GLY B 40 -1.173 -4.694 9.402 1.00 0.25 C ATOM 2134 O GLY B 40 -1.000 -5.224 8.321 1.00 0.28 O ATOM 0 H GLY B 40 -0.198 -1.485 9.347 1.00 0.25 H new ATOM 0 HA2 GLY B 40 0.701 -3.623 9.384 1.00 0.26 H new ATOM 0 HA3 GLY B 40 -0.086 -3.654 10.950 1.00 0.26 H new ATOM 2138 N ARG B 41 -2.121 -5.102 10.207 1.00 0.23 N ATOM 2139 CA ARG B 41 -3.012 -6.228 9.797 1.00 0.24 C ATOM 2140 C ARG B 41 -4.126 -5.703 8.898 1.00 0.22 C ATOM 2141 O ARG B 41 -4.320 -6.183 7.799 1.00 0.26 O ATOM 2142 CB ARG B 41 -3.623 -6.899 11.031 1.00 0.24 C ATOM 2143 CG ARG B 41 -2.874 -6.465 12.295 1.00 0.61 C ATOM 2144 CD ARG B 41 -3.196 -7.437 13.432 1.00 0.94 C ATOM 2145 NE ARG B 41 -3.367 -6.679 14.703 1.00 1.74 N ATOM 2146 CZ ARG B 41 -2.322 -6.311 15.390 1.00 2.19 C ATOM 2147 NH1 ARG B 41 -1.123 -6.602 14.960 1.00 2.10 N ATOM 2148 NH2 ARG B 41 -2.473 -5.652 16.506 1.00 3.16 N ATOM 0 H ARG B 41 -2.316 -4.706 11.127 1.00 0.23 H new ATOM 0 HA ARG B 41 -2.419 -6.962 9.251 1.00 0.24 H new ATOM 0 HB2 ARG B 41 -4.677 -6.633 11.114 1.00 0.24 H new ATOM 0 HB3 ARG B 41 -3.576 -7.983 10.926 1.00 0.24 H new ATOM 0 HG2 ARG B 41 -1.800 -6.449 12.108 1.00 0.61 H new ATOM 0 HG3 ARG B 41 -3.164 -5.452 12.574 1.00 0.61 H new ATOM 0 HD2 ARG B 41 -4.105 -7.992 13.203 1.00 0.94 H new ATOM 0 HD3 ARG B 41 -2.394 -8.168 13.537 1.00 0.94 H new ATOM 0 HE ARG B 41 -4.303 -6.448 15.036 1.00 1.74 H new ATOM 0 HH11 ARG B 41 -1.005 -7.117 14.087 1.00 2.10 H new ATOM 0 HH12 ARG B 41 -0.305 -6.314 15.497 1.00 2.10 H new ATOM 0 HH21 ARG B 41 -3.409 -5.425 16.841 1.00 3.16 H new ATOM 0 HH22 ARG B 41 -1.655 -5.364 17.043 1.00 3.16 H new ATOM 2162 N GLU B 42 -4.866 -4.726 9.342 1.00 0.18 N ATOM 2163 CA GLU B 42 -5.956 -4.203 8.484 1.00 0.17 C ATOM 2164 C GLU B 42 -5.329 -3.741 7.174 1.00 0.18 C ATOM 2165 O GLU B 42 -5.999 -3.547 6.178 1.00 0.19 O ATOM 2166 CB GLU B 42 -6.657 -3.019 9.165 1.00 0.16 C ATOM 2167 CG GLU B 42 -6.111 -2.815 10.580 1.00 0.16 C ATOM 2168 CD GLU B 42 -6.941 -1.751 11.302 1.00 0.63 C ATOM 2169 OE1 GLU B 42 -7.417 -0.847 10.636 1.00 1.38 O ATOM 2170 OE2 GLU B 42 -7.087 -1.860 12.508 1.00 1.29 O ATOM 0 H GLU B 42 -4.763 -4.274 10.251 1.00 0.18 H new ATOM 0 HA GLU B 42 -6.700 -4.980 8.309 1.00 0.17 H new ATOM 0 HB2 GLU B 42 -6.508 -2.113 8.577 1.00 0.16 H new ATOM 0 HB3 GLU B 42 -7.731 -3.199 9.206 1.00 0.16 H new ATOM 0 HG2 GLU B 42 -6.145 -3.754 11.133 1.00 0.16 H new ATOM 0 HG3 GLU B 42 -5.066 -2.508 10.537 1.00 0.16 H new ATOM 2177 N ILE B 43 -4.037 -3.562 7.165 1.00 0.19 N ATOM 2178 CA ILE B 43 -3.345 -3.119 5.934 1.00 0.23 C ATOM 2179 C ILE B 43 -3.650 -4.076 4.777 1.00 0.26 C ATOM 2180 O ILE B 43 -3.733 -3.672 3.634 1.00 0.30 O ATOM 2181 CB ILE B 43 -1.839 -3.075 6.243 1.00 0.30 C ATOM 2182 CG1 ILE B 43 -1.313 -1.681 5.917 1.00 0.34 C ATOM 2183 CG2 ILE B 43 -1.075 -4.132 5.440 1.00 0.39 C ATOM 2184 CD1 ILE B 43 0.193 -1.596 6.213 1.00 0.85 C ATOM 0 H ILE B 43 -3.429 -3.707 7.971 1.00 0.19 H new ATOM 0 HA ILE B 43 -3.690 -2.131 5.628 1.00 0.23 H new ATOM 0 HB ILE B 43 -1.687 -3.295 7.300 1.00 0.30 H new ATOM 0 HG12 ILE B 43 -1.498 -1.451 4.868 1.00 0.34 H new ATOM 0 HG13 ILE B 43 -1.849 -0.936 6.505 1.00 0.34 H new ATOM 0 HG21 ILE B 43 -0.013 -4.075 5.681 1.00 0.39 H new ATOM 0 HG22 ILE B 43 -1.452 -5.123 5.692 1.00 0.39 H new ATOM 0 HG23 ILE B 43 -1.215 -3.951 4.374 1.00 0.39 H new ATOM 0 HD11 ILE B 43 0.555 -0.596 5.976 1.00 0.85 H new ATOM 0 HD12 ILE B 43 0.369 -1.804 7.268 1.00 0.85 H new ATOM 0 HD13 ILE B 43 0.725 -2.328 5.605 1.00 0.85 H new ATOM 2196 N SER B 44 -3.816 -5.336 5.059 1.00 0.27 N ATOM 2197 CA SER B 44 -4.111 -6.304 3.967 1.00 0.31 C ATOM 2198 C SER B 44 -5.600 -6.250 3.658 1.00 0.30 C ATOM 2199 O SER B 44 -6.032 -6.574 2.570 1.00 0.32 O ATOM 2200 CB SER B 44 -3.725 -7.717 4.407 1.00 0.36 C ATOM 2201 OG SER B 44 -2.503 -8.086 3.781 1.00 1.12 O ATOM 0 H SER B 44 -3.761 -5.738 5.995 1.00 0.27 H new ATOM 0 HA SER B 44 -3.537 -6.045 3.077 1.00 0.31 H new ATOM 0 HB2 SER B 44 -3.618 -7.756 5.491 1.00 0.36 H new ATOM 0 HB3 SER B 44 -4.512 -8.422 4.138 1.00 0.36 H new ATOM 0 HG SER B 44 -1.763 -7.967 4.412 1.00 1.12 H new ATOM 2207 N LYS B 45 -6.386 -5.797 4.594 1.00 0.26 N ATOM 2208 CA LYS B 45 -7.835 -5.679 4.316 1.00 0.26 C ATOM 2209 C LYS B 45 -8.010 -4.575 3.277 1.00 0.25 C ATOM 2210 O LYS B 45 -8.343 -4.834 2.137 1.00 0.27 O ATOM 2211 CB LYS B 45 -8.602 -5.342 5.598 1.00 0.26 C ATOM 2212 CG LYS B 45 -8.887 -6.630 6.377 1.00 0.40 C ATOM 2213 CD LYS B 45 -7.593 -7.438 6.534 1.00 0.91 C ATOM 2214 CE LYS B 45 -7.754 -8.459 7.662 1.00 0.81 C ATOM 2215 NZ LYS B 45 -7.138 -9.753 7.250 1.00 1.87 N ATOM 0 H LYS B 45 -6.089 -5.508 5.526 1.00 0.26 H new ATOM 0 HA LYS B 45 -8.232 -6.622 3.940 1.00 0.26 H new ATOM 0 HB2 LYS B 45 -8.021 -4.654 6.212 1.00 0.26 H new ATOM 0 HB3 LYS B 45 -9.537 -4.838 5.353 1.00 0.26 H new ATOM 0 HG2 LYS B 45 -9.298 -6.390 7.358 1.00 0.40 H new ATOM 0 HG3 LYS B 45 -9.637 -7.224 5.854 1.00 0.40 H new ATOM 0 HD2 LYS B 45 -7.356 -7.948 5.600 1.00 0.91 H new ATOM 0 HD3 LYS B 45 -6.760 -6.770 6.752 1.00 0.91 H new ATOM 0 HE2 LYS B 45 -7.279 -8.091 8.571 1.00 0.81 H new ATOM 0 HE3 LYS B 45 -8.810 -8.602 7.890 1.00 0.81 H new ATOM 0 HZ1 LYS B 45 -7.246 -10.448 8.016 1.00 1.87 H new ATOM 0 HZ2 LYS B 45 -7.610 -10.105 6.393 1.00 1.87 H new ATOM 0 HZ3 LYS B 45 -6.127 -9.609 7.054 1.00 1.87 H new ATOM 2229 N ALA B 46 -7.813 -3.344 3.680 1.00 0.22 N ATOM 2230 CA ALA B 46 -7.985 -2.192 2.734 1.00 0.21 C ATOM 2231 C ALA B 46 -7.490 -2.568 1.332 1.00 0.19 C ATOM 2232 O ALA B 46 -8.167 -2.346 0.348 1.00 0.22 O ATOM 2233 CB ALA B 46 -7.204 -0.978 3.245 1.00 0.26 C ATOM 0 H ALA B 46 -7.539 -3.084 4.627 1.00 0.22 H new ATOM 0 HA ALA B 46 -9.045 -1.946 2.678 1.00 0.21 H new ATOM 0 HB1 ALA B 46 -7.333 -0.145 2.554 1.00 0.26 H new ATOM 0 HB2 ALA B 46 -7.576 -0.694 4.229 1.00 0.26 H new ATOM 0 HB3 ALA B 46 -6.146 -1.230 3.316 1.00 0.26 H new ATOM 2239 N VAL B 47 -6.327 -3.146 1.232 1.00 0.18 N ATOM 2240 CA VAL B 47 -5.807 -3.547 -0.108 1.00 0.18 C ATOM 2241 C VAL B 47 -6.739 -4.602 -0.710 1.00 0.18 C ATOM 2242 O VAL B 47 -7.332 -4.402 -1.752 1.00 0.19 O ATOM 2243 CB VAL B 47 -4.391 -4.124 0.040 1.00 0.24 C ATOM 2244 CG1 VAL B 47 -3.846 -4.578 -1.324 1.00 0.28 C ATOM 2245 CG2 VAL B 47 -3.467 -3.049 0.602 1.00 0.27 C ATOM 0 H VAL B 47 -5.713 -3.359 2.018 1.00 0.18 H new ATOM 0 HA VAL B 47 -5.768 -2.678 -0.764 1.00 0.18 H new ATOM 0 HB VAL B 47 -4.433 -4.982 0.712 1.00 0.24 H new ATOM 0 HG11 VAL B 47 -2.842 -4.984 -1.198 1.00 0.28 H new ATOM 0 HG12 VAL B 47 -4.498 -5.346 -1.739 1.00 0.28 H new ATOM 0 HG13 VAL B 47 -3.811 -3.726 -2.003 1.00 0.28 H new ATOM 0 HG21 VAL B 47 -2.461 -3.454 0.709 1.00 0.27 H new ATOM 0 HG22 VAL B 47 -3.445 -2.197 -0.077 1.00 0.27 H new ATOM 0 HG23 VAL B 47 -3.834 -2.727 1.577 1.00 0.27 H new ATOM 2255 N ASP B 48 -6.873 -5.724 -0.059 1.00 0.20 N ATOM 2256 CA ASP B 48 -7.766 -6.795 -0.589 1.00 0.23 C ATOM 2257 C ASP B 48 -9.169 -6.228 -0.779 1.00 0.26 C ATOM 2258 O ASP B 48 -9.775 -6.370 -1.821 1.00 0.30 O ATOM 2259 CB ASP B 48 -7.830 -7.951 0.410 1.00 0.24 C ATOM 2260 CG ASP B 48 -8.459 -9.173 -0.259 1.00 0.41 C ATOM 2261 OD1 ASP B 48 -9.653 -9.139 -0.508 1.00 1.25 O ATOM 2262 OD2 ASP B 48 -7.736 -10.123 -0.513 1.00 1.08 O ATOM 0 H ASP B 48 -6.403 -5.947 0.818 1.00 0.20 H new ATOM 0 HA ASP B 48 -7.375 -7.154 -1.541 1.00 0.23 H new ATOM 0 HB2 ASP B 48 -6.829 -8.194 0.765 1.00 0.24 H new ATOM 0 HB3 ASP B 48 -8.416 -7.659 1.282 1.00 0.24 H new ATOM 2267 N VAL B 49 -9.676 -5.580 0.229 1.00 0.26 N ATOM 2268 CA VAL B 49 -11.036 -4.988 0.127 1.00 0.32 C ATOM 2269 C VAL B 49 -11.143 -4.254 -1.205 1.00 0.31 C ATOM 2270 O VAL B 49 -12.016 -4.518 -2.008 1.00 0.31 O ATOM 2271 CB VAL B 49 -11.261 -3.999 1.271 1.00 0.39 C ATOM 2272 CG1 VAL B 49 -12.675 -3.420 1.176 1.00 1.06 C ATOM 2273 CG2 VAL B 49 -11.098 -4.722 2.609 1.00 0.96 C ATOM 0 H VAL B 49 -9.206 -5.434 1.122 1.00 0.26 H new ATOM 0 HA VAL B 49 -11.788 -5.775 0.188 1.00 0.32 H new ATOM 0 HB VAL B 49 -10.532 -3.192 1.201 1.00 0.39 H new ATOM 0 HG11 VAL B 49 -12.835 -2.715 1.992 1.00 1.06 H new ATOM 0 HG12 VAL B 49 -12.794 -2.905 0.223 1.00 1.06 H new ATOM 0 HG13 VAL B 49 -13.404 -4.227 1.246 1.00 1.06 H new ATOM 0 HG21 VAL B 49 -11.258 -4.017 3.425 1.00 0.96 H new ATOM 0 HG22 VAL B 49 -11.827 -5.529 2.678 1.00 0.96 H new ATOM 0 HG23 VAL B 49 -10.092 -5.135 2.679 1.00 0.96 H new ATOM 2283 N TYR B 50 -10.263 -3.322 -1.438 1.00 0.33 N ATOM 2284 CA TYR B 50 -10.297 -2.547 -2.703 1.00 0.36 C ATOM 2285 C TYR B 50 -10.025 -3.456 -3.903 1.00 0.32 C ATOM 2286 O TYR B 50 -10.800 -3.506 -4.836 1.00 0.32 O ATOM 2287 CB TYR B 50 -9.234 -1.459 -2.627 1.00 0.43 C ATOM 2288 CG TYR B 50 -9.824 -0.210 -2.010 1.00 1.19 C ATOM 2289 CD1 TYR B 50 -10.811 -0.286 -1.012 1.00 2.17 C ATOM 2290 CD2 TYR B 50 -9.383 1.034 -2.447 1.00 1.93 C ATOM 2291 CE1 TYR B 50 -11.338 0.886 -0.466 1.00 3.03 C ATOM 2292 CE2 TYR B 50 -9.909 2.201 -1.899 1.00 2.76 C ATOM 2293 CZ TYR B 50 -10.886 2.131 -0.909 1.00 3.13 C ATOM 2294 OH TYR B 50 -11.400 3.290 -0.371 1.00 4.11 O ATOM 0 H TYR B 50 -9.514 -3.063 -0.796 1.00 0.33 H new ATOM 0 HA TYR B 50 -11.285 -2.105 -2.833 1.00 0.36 H new ATOM 0 HB2 TYR B 50 -8.388 -1.805 -2.033 1.00 0.43 H new ATOM 0 HB3 TYR B 50 -8.854 -1.239 -3.625 1.00 0.43 H new ATOM 0 HD1 TYR B 50 -11.161 -1.248 -0.669 1.00 2.17 H new ATOM 0 HD2 TYR B 50 -8.628 1.096 -3.216 1.00 1.93 H new ATOM 0 HE1 TYR B 50 -12.097 0.830 0.301 1.00 3.03 H new ATOM 0 HE2 TYR B 50 -9.558 3.163 -2.243 1.00 2.76 H new ATOM 0 HH TYR B 50 -11.008 4.064 -0.827 1.00 4.11 H new ATOM 2304 N ASN B 51 -8.940 -4.178 -3.902 1.00 0.32 N ATOM 2305 CA ASN B 51 -8.667 -5.067 -5.063 1.00 0.30 C ATOM 2306 C ASN B 51 -9.911 -5.910 -5.327 1.00 0.29 C ATOM 2307 O ASN B 51 -10.415 -5.980 -6.430 1.00 0.30 O ATOM 2308 CB ASN B 51 -7.491 -5.985 -4.741 1.00 0.31 C ATOM 2309 CG ASN B 51 -7.312 -6.988 -5.882 1.00 0.65 C ATOM 2310 OD1 ASN B 51 -6.395 -6.872 -6.672 1.00 1.41 O ATOM 2311 ND2 ASN B 51 -8.159 -7.973 -6.009 1.00 1.19 N ATOM 0 H ASN B 51 -8.241 -4.192 -3.160 1.00 0.32 H new ATOM 0 HA ASN B 51 -8.422 -4.470 -5.941 1.00 0.30 H new ATOM 0 HB2 ASN B 51 -6.581 -5.399 -4.609 1.00 0.31 H new ATOM 0 HB3 ASN B 51 -7.670 -6.511 -3.803 1.00 0.31 H new ATOM 0 HD21 ASN B 51 -8.051 -8.644 -6.770 1.00 1.19 H new ATOM 0 HD22 ASN B 51 -8.929 -8.072 -5.347 1.00 1.19 H new ATOM 2318 N SER B 52 -10.392 -6.564 -4.311 1.00 0.29 N ATOM 2319 CA SER B 52 -11.590 -7.424 -4.491 1.00 0.31 C ATOM 2320 C SER B 52 -12.766 -6.569 -4.980 1.00 0.29 C ATOM 2321 O SER B 52 -13.633 -7.044 -5.687 1.00 0.33 O ATOM 2322 CB SER B 52 -11.972 -8.096 -3.177 1.00 0.34 C ATOM 2323 OG SER B 52 -10.798 -8.390 -2.436 1.00 0.65 O ATOM 0 H SER B 52 -10.009 -6.541 -3.366 1.00 0.29 H new ATOM 0 HA SER B 52 -11.357 -8.194 -5.226 1.00 0.31 H new ATOM 0 HB2 SER B 52 -12.625 -7.443 -2.599 1.00 0.34 H new ATOM 0 HB3 SER B 52 -12.530 -9.012 -3.373 1.00 0.34 H new ATOM 0 HG SER B 52 -10.627 -7.669 -1.795 1.00 0.65 H new ATOM 2329 N LEU B 53 -12.811 -5.314 -4.610 1.00 0.27 N ATOM 2330 CA LEU B 53 -13.927 -4.435 -5.047 1.00 0.27 C ATOM 2331 C LEU B 53 -13.748 -4.076 -6.525 1.00 0.27 C ATOM 2332 O LEU B 53 -14.701 -3.802 -7.228 1.00 0.30 O ATOM 2333 CB LEU B 53 -13.893 -3.150 -4.207 1.00 0.27 C ATOM 2334 CG LEU B 53 -14.841 -2.088 -4.778 1.00 0.32 C ATOM 2335 CD1 LEU B 53 -16.266 -2.629 -4.867 1.00 0.53 C ATOM 2336 CD2 LEU B 53 -14.835 -0.869 -3.859 1.00 0.38 C ATOM 0 H LEU B 53 -12.114 -4.861 -4.019 1.00 0.27 H new ATOM 0 HA LEU B 53 -14.879 -4.948 -4.914 1.00 0.27 H new ATOM 0 HB2 LEU B 53 -14.174 -3.377 -3.179 1.00 0.27 H new ATOM 0 HB3 LEU B 53 -12.877 -2.757 -4.180 1.00 0.27 H new ATOM 0 HG LEU B 53 -14.501 -1.817 -5.778 1.00 0.32 H new ATOM 0 HD11 LEU B 53 -16.922 -1.860 -5.274 1.00 0.53 H new ATOM 0 HD12 LEU B 53 -16.283 -3.503 -5.518 1.00 0.53 H new ATOM 0 HD13 LEU B 53 -16.611 -2.911 -3.872 1.00 0.53 H new ATOM 0 HD21 LEU B 53 -15.507 -0.109 -4.258 1.00 0.38 H new ATOM 0 HD22 LEU B 53 -15.169 -1.162 -2.864 1.00 0.38 H new ATOM 0 HD23 LEU B 53 -13.825 -0.464 -3.798 1.00 0.38 H new ATOM 2348 N LYS B 54 -12.549 -4.134 -7.031 1.00 0.28 N ATOM 2349 CA LYS B 54 -12.360 -3.827 -8.470 1.00 0.32 C ATOM 2350 C LYS B 54 -12.701 -5.096 -9.235 1.00 0.34 C ATOM 2351 O LYS B 54 -13.208 -5.070 -10.340 1.00 0.36 O ATOM 2352 CB LYS B 54 -10.911 -3.329 -8.701 1.00 0.34 C ATOM 2353 CG LYS B 54 -9.997 -4.394 -9.333 1.00 0.96 C ATOM 2354 CD LYS B 54 -10.137 -4.365 -10.858 1.00 0.49 C ATOM 2355 CE LYS B 54 -9.291 -3.227 -11.450 1.00 0.49 C ATOM 2356 NZ LYS B 54 -8.032 -3.787 -12.019 1.00 0.99 N ATOM 0 H LYS B 54 -11.703 -4.378 -6.516 1.00 0.28 H new ATOM 0 HA LYS B 54 -13.009 -3.026 -8.824 1.00 0.32 H new ATOM 0 HB2 LYS B 54 -10.934 -2.451 -9.346 1.00 0.34 H new ATOM 0 HB3 LYS B 54 -10.486 -3.014 -7.748 1.00 0.34 H new ATOM 0 HG2 LYS B 54 -8.960 -4.209 -9.051 1.00 0.96 H new ATOM 0 HG3 LYS B 54 -10.259 -5.382 -8.954 1.00 0.96 H new ATOM 0 HD2 LYS B 54 -9.819 -5.320 -11.277 1.00 0.49 H new ATOM 0 HD3 LYS B 54 -11.183 -4.229 -11.131 1.00 0.49 H new ATOM 0 HE2 LYS B 54 -9.853 -2.707 -12.226 1.00 0.49 H new ATOM 0 HE3 LYS B 54 -9.059 -2.493 -10.678 1.00 0.49 H new ATOM 0 HZ1 LYS B 54 -7.459 -3.017 -12.420 1.00 0.99 H new ATOM 0 HZ2 LYS B 54 -7.494 -4.264 -11.268 1.00 0.99 H new ATOM 0 HZ3 LYS B 54 -8.263 -4.471 -12.767 1.00 0.99 H new ATOM 2370 N ASP B 55 -12.462 -6.209 -8.609 1.00 0.41 N ATOM 2371 CA ASP B 55 -12.799 -7.512 -9.225 1.00 0.47 C ATOM 2372 C ASP B 55 -14.284 -7.508 -9.532 1.00 0.47 C ATOM 2373 O ASP B 55 -14.789 -8.345 -10.252 1.00 0.52 O ATOM 2374 CB ASP B 55 -12.520 -8.622 -8.216 1.00 0.51 C ATOM 2375 CG ASP B 55 -11.339 -9.475 -8.679 1.00 0.66 C ATOM 2376 OD1 ASP B 55 -10.440 -8.929 -9.296 1.00 1.46 O ATOM 2377 OD2 ASP B 55 -11.356 -10.665 -8.408 1.00 1.23 O ATOM 0 H ASP B 55 -12.041 -6.270 -7.682 1.00 0.41 H new ATOM 0 HA ASP B 55 -12.211 -7.673 -10.129 1.00 0.47 H new ATOM 0 HB2 ASP B 55 -12.304 -8.189 -7.239 1.00 0.51 H new ATOM 0 HB3 ASP B 55 -13.405 -9.247 -8.099 1.00 0.51 H new ATOM 2382 N ARG B 56 -14.996 -6.575 -8.963 1.00 0.42 N ATOM 2383 CA ARG B 56 -16.456 -6.526 -9.196 1.00 0.44 C ATOM 2384 C ARG B 56 -16.732 -6.025 -10.606 1.00 0.43 C ATOM 2385 O ARG B 56 -17.589 -6.544 -11.292 1.00 0.51 O ATOM 2386 CB ARG B 56 -17.095 -5.597 -8.166 1.00 0.54 C ATOM 2387 CG ARG B 56 -16.629 -6.000 -6.758 1.00 0.50 C ATOM 2388 CD ARG B 56 -17.168 -7.385 -6.384 1.00 0.64 C ATOM 2389 NE ARG B 56 -18.615 -7.484 -6.741 1.00 1.01 N ATOM 2390 CZ ARG B 56 -19.146 -8.643 -7.036 1.00 1.27 C ATOM 2391 NH1 ARG B 56 -18.415 -9.724 -7.043 1.00 1.51 N ATOM 2392 NH2 ARG B 56 -20.417 -8.720 -7.321 1.00 1.71 N ATOM 0 H ARG B 56 -14.626 -5.849 -8.349 1.00 0.42 H new ATOM 0 HA ARG B 56 -16.883 -7.523 -9.092 1.00 0.44 H new ATOM 0 HB2 ARG B 56 -16.818 -4.563 -8.371 1.00 0.54 H new ATOM 0 HB3 ARG B 56 -18.181 -5.655 -8.232 1.00 0.54 H new ATOM 0 HG2 ARG B 56 -15.540 -6.005 -6.718 1.00 0.50 H new ATOM 0 HG3 ARG B 56 -16.971 -5.263 -6.032 1.00 0.50 H new ATOM 0 HD2 ARG B 56 -16.603 -8.157 -6.906 1.00 0.64 H new ATOM 0 HD3 ARG B 56 -17.036 -7.560 -5.316 1.00 0.64 H new ATOM 0 HE ARG B 56 -19.193 -6.643 -6.755 1.00 1.01 H new ATOM 0 HH11 ARG B 56 -17.422 -9.669 -6.817 1.00 1.51 H new ATOM 0 HH12 ARG B 56 -18.837 -10.623 -7.274 1.00 1.51 H new ATOM 0 HH21 ARG B 56 -20.993 -7.878 -7.313 1.00 1.71 H new ATOM 0 HH22 ARG B 56 -20.834 -9.622 -7.551 1.00 1.71 H new ATOM 2406 N LEU B 57 -16.033 -5.016 -11.053 1.00 0.41 N ATOM 2407 CA LEU B 57 -16.315 -4.522 -12.427 1.00 0.48 C ATOM 2408 C LEU B 57 -15.102 -3.847 -13.072 1.00 0.43 C ATOM 2409 O LEU B 57 -15.039 -3.758 -14.280 1.00 0.44 O ATOM 2410 CB LEU B 57 -17.479 -3.536 -12.375 1.00 0.58 C ATOM 2411 CG LEU B 57 -18.693 -4.150 -13.075 1.00 1.20 C ATOM 2412 CD1 LEU B 57 -19.911 -3.254 -12.860 1.00 1.70 C ATOM 2413 CD2 LEU B 57 -18.410 -4.274 -14.575 1.00 1.77 C ATOM 0 H LEU B 57 -15.299 -4.526 -10.542 1.00 0.41 H new ATOM 0 HA LEU B 57 -16.566 -5.386 -13.042 1.00 0.48 H new ATOM 0 HB2 LEU B 57 -17.723 -3.298 -11.340 1.00 0.58 H new ATOM 0 HB3 LEU B 57 -17.200 -2.600 -12.860 1.00 0.58 H new ATOM 0 HG LEU B 57 -18.890 -5.138 -12.660 1.00 1.20 H new ATOM 0 HD11 LEU B 57 -20.776 -3.691 -13.358 1.00 1.70 H new ATOM 0 HD12 LEU B 57 -20.113 -3.165 -11.793 1.00 1.70 H new ATOM 0 HD13 LEU B 57 -19.714 -2.266 -13.275 1.00 1.70 H new ATOM 0 HD21 LEU B 57 -19.275 -4.711 -15.074 1.00 1.77 H new ATOM 0 HD22 LEU B 57 -18.213 -3.286 -14.991 1.00 1.77 H new ATOM 0 HD23 LEU B 57 -17.541 -4.913 -14.730 1.00 1.77 H new ATOM 2425 N GLY B 58 -14.134 -3.386 -12.323 1.00 0.39 N ATOM 2426 CA GLY B 58 -12.955 -2.739 -12.973 1.00 0.36 C ATOM 2427 C GLY B 58 -13.387 -1.463 -13.703 1.00 0.35 C ATOM 2428 O GLY B 58 -12.940 -0.377 -13.390 1.00 0.35 O ATOM 0 H GLY B 58 -14.107 -3.428 -11.304 1.00 0.39 H new ATOM 0 HA2 GLY B 58 -12.202 -2.500 -12.222 1.00 0.36 H new ATOM 0 HA3 GLY B 58 -12.494 -3.431 -13.677 1.00 0.36 H new ATOM 2432 N ASP B 59 -14.238 -1.587 -14.680 1.00 0.40 N ATOM 2433 CA ASP B 59 -14.686 -0.389 -15.440 1.00 0.44 C ATOM 2434 C ASP B 59 -15.528 0.503 -14.536 1.00 0.38 C ATOM 2435 O ASP B 59 -15.443 1.709 -14.593 1.00 0.40 O ATOM 2436 CB ASP B 59 -15.521 -0.833 -16.639 1.00 0.53 C ATOM 2437 CG ASP B 59 -14.938 -0.233 -17.919 1.00 0.63 C ATOM 2438 OD1 ASP B 59 -13.917 -0.727 -18.370 1.00 1.40 O ATOM 2439 OD2 ASP B 59 -15.521 0.710 -18.427 1.00 1.11 O ATOM 0 H ASP B 59 -14.645 -2.471 -14.987 1.00 0.40 H new ATOM 0 HA ASP B 59 -13.816 0.168 -15.788 1.00 0.44 H new ATOM 0 HB2 ASP B 59 -15.530 -1.921 -16.706 1.00 0.53 H new ATOM 0 HB3 ASP B 59 -16.555 -0.513 -16.513 1.00 0.53 H new ATOM 2444 N GLY B 60 -16.340 -0.077 -13.702 1.00 0.34 N ATOM 2445 CA GLY B 60 -17.180 0.746 -12.797 1.00 0.31 C ATOM 2446 C GLY B 60 -16.409 1.017 -11.512 1.00 0.29 C ATOM 2447 O GLY B 60 -16.985 1.200 -10.462 1.00 0.28 O ATOM 0 H GLY B 60 -16.458 -1.086 -13.608 1.00 0.34 H new ATOM 0 HA2 GLY B 60 -17.446 1.686 -13.281 1.00 0.31 H new ATOM 0 HA3 GLY B 60 -18.112 0.227 -12.574 1.00 0.31 H new ATOM 2451 N VAL B 61 -15.105 1.044 -11.583 1.00 0.29 N ATOM 2452 CA VAL B 61 -14.282 1.300 -10.371 1.00 0.28 C ATOM 2453 C VAL B 61 -12.954 1.906 -10.834 1.00 0.30 C ATOM 2454 O VAL B 61 -12.348 1.432 -11.774 1.00 0.46 O ATOM 2455 CB VAL B 61 -14.007 -0.021 -9.643 1.00 0.30 C ATOM 2456 CG1 VAL B 61 -12.755 0.125 -8.776 1.00 0.44 C ATOM 2457 CG2 VAL B 61 -15.197 -0.395 -8.754 1.00 0.39 C ATOM 0 H VAL B 61 -14.571 0.898 -12.440 1.00 0.29 H new ATOM 0 HA VAL B 61 -14.803 1.975 -9.692 1.00 0.28 H new ATOM 0 HB VAL B 61 -13.855 -0.806 -10.384 1.00 0.30 H new ATOM 0 HG11 VAL B 61 -12.559 -0.814 -8.258 1.00 0.44 H new ATOM 0 HG12 VAL B 61 -11.903 0.376 -9.407 1.00 0.44 H new ATOM 0 HG13 VAL B 61 -12.910 0.917 -8.044 1.00 0.44 H new ATOM 0 HG21 VAL B 61 -14.988 -1.335 -8.243 1.00 0.39 H new ATOM 0 HG22 VAL B 61 -15.361 0.390 -8.016 1.00 0.39 H new ATOM 0 HG23 VAL B 61 -16.090 -0.507 -9.369 1.00 0.39 H new ATOM 2467 N GLN B 62 -12.526 2.973 -10.215 1.00 0.28 N ATOM 2468 CA GLN B 62 -11.269 3.643 -10.656 1.00 0.30 C ATOM 2469 C GLN B 62 -10.386 4.017 -9.470 1.00 0.29 C ATOM 2470 O GLN B 62 -10.847 4.244 -8.380 1.00 0.27 O ATOM 2471 CB GLN B 62 -11.645 4.923 -11.387 1.00 0.31 C ATOM 2472 CG GLN B 62 -11.417 4.744 -12.882 1.00 0.41 C ATOM 2473 CD GLN B 62 -9.916 4.755 -13.180 1.00 0.56 C ATOM 2474 OE1 GLN B 62 -9.390 3.812 -13.737 1.00 1.26 O ATOM 2475 NE2 GLN B 62 -9.201 5.788 -12.829 1.00 1.42 N ATOM 0 H GLN B 62 -12.994 3.410 -9.421 1.00 0.28 H new ATOM 0 HA GLN B 62 -10.717 2.955 -11.296 1.00 0.30 H new ATOM 0 HB2 GLN B 62 -12.689 5.170 -11.195 1.00 0.31 H new ATOM 0 HB3 GLN B 62 -11.047 5.755 -11.015 1.00 0.31 H new ATOM 0 HG2 GLN B 62 -11.857 3.805 -13.217 1.00 0.41 H new ATOM 0 HG3 GLN B 62 -11.913 5.543 -13.433 1.00 0.41 H new ATOM 0 HE21 GLN B 62 -9.643 6.579 -12.361 1.00 1.42 H new ATOM 0 HE22 GLN B 62 -8.200 5.804 -13.022 1.00 1.42 H new ATOM 2484 N LEU B 63 -9.110 4.111 -9.711 1.00 0.33 N ATOM 2485 CA LEU B 63 -8.155 4.501 -8.636 1.00 0.33 C ATOM 2486 C LEU B 63 -7.929 6.010 -8.713 1.00 0.34 C ATOM 2487 O LEU B 63 -7.464 6.521 -9.713 1.00 0.39 O ATOM 2488 CB LEU B 63 -6.826 3.769 -8.833 1.00 0.36 C ATOM 2489 CG LEU B 63 -5.846 4.178 -7.730 1.00 0.36 C ATOM 2490 CD1 LEU B 63 -5.100 2.938 -7.231 1.00 0.54 C ATOM 2491 CD2 LEU B 63 -4.834 5.192 -8.277 1.00 0.52 C ATOM 0 H LEU B 63 -8.681 3.932 -10.619 1.00 0.33 H new ATOM 0 HA LEU B 63 -8.562 4.233 -7.661 1.00 0.33 H new ATOM 0 HB2 LEU B 63 -6.986 2.691 -8.810 1.00 0.36 H new ATOM 0 HB3 LEU B 63 -6.409 4.008 -9.811 1.00 0.36 H new ATOM 0 HG LEU B 63 -6.400 4.633 -6.909 1.00 0.36 H new ATOM 0 HD11 LEU B 63 -4.401 3.225 -6.445 1.00 0.54 H new ATOM 0 HD12 LEU B 63 -5.816 2.218 -6.834 1.00 0.54 H new ATOM 0 HD13 LEU B 63 -4.551 2.486 -8.057 1.00 0.54 H new ATOM 0 HD21 LEU B 63 -4.141 5.477 -7.486 1.00 0.52 H new ATOM 0 HD22 LEU B 63 -4.279 4.744 -9.101 1.00 0.52 H new ATOM 0 HD23 LEU B 63 -5.362 6.077 -8.633 1.00 0.52 H new ATOM 2503 N VAL B 64 -8.270 6.729 -7.677 1.00 0.33 N ATOM 2504 CA VAL B 64 -8.094 8.212 -7.706 1.00 0.37 C ATOM 2505 C VAL B 64 -6.876 8.623 -6.884 1.00 0.36 C ATOM 2506 O VAL B 64 -6.363 9.713 -7.037 1.00 0.41 O ATOM 2507 CB VAL B 64 -9.327 8.897 -7.124 1.00 0.41 C ATOM 2508 CG1 VAL B 64 -10.061 9.648 -8.237 1.00 1.08 C ATOM 2509 CG2 VAL B 64 -10.250 7.849 -6.497 1.00 1.43 C ATOM 0 H VAL B 64 -8.662 6.355 -6.813 1.00 0.33 H new ATOM 0 HA VAL B 64 -7.953 8.515 -8.743 1.00 0.37 H new ATOM 0 HB VAL B 64 -9.024 9.606 -6.353 1.00 0.41 H new ATOM 0 HG11 VAL B 64 -10.943 10.139 -7.825 1.00 1.08 H new ATOM 0 HG12 VAL B 64 -9.398 10.397 -8.669 1.00 1.08 H new ATOM 0 HG13 VAL B 64 -10.366 8.944 -9.011 1.00 1.08 H new ATOM 0 HG21 VAL B 64 -11.130 8.341 -6.082 1.00 1.43 H new ATOM 0 HG22 VAL B 64 -10.560 7.134 -7.259 1.00 1.43 H new ATOM 0 HG23 VAL B 64 -9.719 7.325 -5.703 1.00 1.43 H new ATOM 2519 N ASN B 65 -6.390 7.774 -6.019 1.00 0.32 N ATOM 2520 CA ASN B 65 -5.196 8.158 -5.218 1.00 0.34 C ATOM 2521 C ASN B 65 -4.795 6.995 -4.313 1.00 0.30 C ATOM 2522 O ASN B 65 -5.591 6.133 -4.001 1.00 0.28 O ATOM 2523 CB ASN B 65 -5.529 9.371 -4.357 1.00 0.36 C ATOM 2524 CG ASN B 65 -4.925 10.629 -4.987 1.00 0.48 C ATOM 2525 OD1 ASN B 65 -5.641 11.523 -5.393 1.00 1.28 O ATOM 2526 ND2 ASN B 65 -3.628 10.735 -5.086 1.00 1.09 N ATOM 0 H ASN B 65 -6.763 6.843 -5.835 1.00 0.32 H new ATOM 0 HA ASN B 65 -4.373 8.401 -5.890 1.00 0.34 H new ATOM 0 HB2 ASN B 65 -6.610 9.480 -4.267 1.00 0.36 H new ATOM 0 HB3 ASN B 65 -5.138 9.233 -3.349 1.00 0.36 H new ATOM 0 HD21 ASN B 65 -3.215 11.569 -5.504 1.00 1.09 H new ATOM 0 HD22 ASN B 65 -3.027 9.984 -4.745 1.00 1.09 H new ATOM 2533 N VAL B 66 -3.562 6.963 -3.896 1.00 0.29 N ATOM 2534 CA VAL B 66 -3.104 5.858 -3.021 1.00 0.26 C ATOM 2535 C VAL B 66 -1.767 6.236 -2.386 1.00 0.27 C ATOM 2536 O VAL B 66 -0.895 6.786 -3.029 1.00 0.31 O ATOM 2537 CB VAL B 66 -2.950 4.600 -3.867 1.00 0.30 C ATOM 2538 CG1 VAL B 66 -2.137 4.915 -5.120 1.00 0.90 C ATOM 2539 CG2 VAL B 66 -2.243 3.512 -3.060 1.00 0.66 C ATOM 0 H VAL B 66 -2.852 7.658 -4.126 1.00 0.29 H new ATOM 0 HA VAL B 66 -3.829 5.676 -2.228 1.00 0.26 H new ATOM 0 HB VAL B 66 -3.939 4.246 -4.157 1.00 0.30 H new ATOM 0 HG11 VAL B 66 -2.030 4.012 -5.721 1.00 0.90 H new ATOM 0 HG12 VAL B 66 -2.649 5.680 -5.703 1.00 0.90 H new ATOM 0 HG13 VAL B 66 -1.150 5.278 -4.832 1.00 0.90 H new ATOM 0 HG21 VAL B 66 -2.137 2.616 -3.672 1.00 0.66 H new ATOM 0 HG22 VAL B 66 -1.257 3.865 -2.759 1.00 0.66 H new ATOM 0 HG23 VAL B 66 -2.831 3.278 -2.172 1.00 0.66 H new ATOM 2549 N GLN B 67 -1.610 5.969 -1.120 1.00 0.25 N ATOM 2550 CA GLN B 67 -0.337 6.343 -0.453 1.00 0.28 C ATOM 2551 C GLN B 67 0.016 5.370 0.664 1.00 0.25 C ATOM 2552 O GLN B 67 -0.787 4.576 1.115 1.00 0.23 O ATOM 2553 CB GLN B 67 -0.472 7.747 0.132 1.00 0.29 C ATOM 2554 CG GLN B 67 0.871 8.199 0.715 1.00 0.37 C ATOM 2555 CD GLN B 67 0.887 9.723 0.834 1.00 0.64 C ATOM 2556 OE1 GLN B 67 0.190 10.288 1.654 1.00 1.11 O ATOM 2557 NE2 GLN B 67 1.658 10.419 0.044 1.00 1.44 N ATOM 0 H GLN B 67 -2.301 5.513 -0.525 1.00 0.25 H new ATOM 0 HA GLN B 67 0.459 6.311 -1.197 1.00 0.28 H new ATOM 0 HB2 GLN B 67 -0.796 8.443 -0.642 1.00 0.29 H new ATOM 0 HB3 GLN B 67 -1.237 7.755 0.908 1.00 0.29 H new ATOM 0 HG2 GLN B 67 1.026 7.745 1.694 1.00 0.37 H new ATOM 0 HG3 GLN B 67 1.688 7.865 0.076 1.00 0.37 H new ATOM 0 HE21 GLN B 67 2.243 9.946 -0.644 1.00 1.44 H new ATOM 0 HE22 GLN B 67 1.675 11.436 0.115 1.00 1.44 H new ATOM 2566 N THR B 68 1.239 5.441 1.093 1.00 0.26 N ATOM 2567 CA THR B 68 1.727 4.546 2.168 1.00 0.26 C ATOM 2568 C THR B 68 2.589 5.356 3.116 1.00 0.25 C ATOM 2569 O THR B 68 3.210 6.325 2.728 1.00 0.33 O ATOM 2570 CB THR B 68 2.571 3.434 1.548 1.00 0.33 C ATOM 2571 OG1 THR B 68 3.265 3.950 0.423 1.00 0.42 O ATOM 2572 CG2 THR B 68 1.663 2.300 1.110 1.00 0.45 C ATOM 0 H THR B 68 1.935 6.096 0.736 1.00 0.26 H new ATOM 0 HA THR B 68 0.885 4.110 2.706 1.00 0.26 H new ATOM 0 HB THR B 68 3.288 3.061 2.280 1.00 0.33 H new ATOM 0 HG1 THR B 68 2.795 3.693 -0.398 1.00 0.42 H new ATOM 0 HG21 THR B 68 2.262 1.505 0.667 1.00 0.45 H new ATOM 0 HG22 THR B 68 1.125 1.910 1.974 1.00 0.45 H new ATOM 0 HG23 THR B 68 0.949 2.669 0.374 1.00 0.45 H new ATOM 2580 N GLY B 69 2.656 4.967 4.354 1.00 0.24 N ATOM 2581 CA GLY B 69 3.500 5.704 5.328 1.00 0.28 C ATOM 2582 C GLY B 69 3.419 4.952 6.660 1.00 0.26 C ATOM 2583 O GLY B 69 2.492 4.211 6.889 1.00 0.29 O ATOM 0 H GLY B 69 2.158 4.163 4.736 1.00 0.24 H new ATOM 0 HA2 GLY B 69 4.531 5.758 4.979 1.00 0.28 H new ATOM 0 HA3 GLY B 69 3.148 6.729 5.443 1.00 0.28 H new ATOM 2587 N SER B 70 4.380 5.111 7.528 1.00 0.24 N ATOM 2588 CA SER B 70 4.333 4.406 8.841 1.00 0.25 C ATOM 2589 C SER B 70 3.748 5.345 9.903 1.00 0.29 C ATOM 2590 O SER B 70 3.771 6.551 9.752 1.00 0.31 O ATOM 2591 CB SER B 70 5.742 3.975 9.247 1.00 0.27 C ATOM 2592 OG SER B 70 6.488 5.118 9.642 1.00 0.39 O ATOM 0 H SER B 70 5.199 5.701 7.384 1.00 0.24 H new ATOM 0 HA SER B 70 3.703 3.521 8.756 1.00 0.25 H new ATOM 0 HB2 SER B 70 5.693 3.258 10.066 1.00 0.27 H new ATOM 0 HB3 SER B 70 6.236 3.475 8.414 1.00 0.27 H new ATOM 0 HG SER B 70 7.370 4.838 9.964 1.00 0.39 H new ATOM 2598 N GLU B 71 3.243 4.811 10.985 1.00 0.32 N ATOM 2599 CA GLU B 71 2.678 5.693 12.051 1.00 0.39 C ATOM 2600 C GLU B 71 2.749 4.991 13.396 1.00 0.40 C ATOM 2601 O GLU B 71 3.098 3.834 13.489 1.00 0.37 O ATOM 2602 CB GLU B 71 1.220 6.026 11.752 1.00 0.40 C ATOM 2603 CG GLU B 71 0.357 4.773 11.884 1.00 0.49 C ATOM 2604 CD GLU B 71 -0.179 4.670 13.311 1.00 0.68 C ATOM 2605 OE1 GLU B 71 -0.790 5.625 13.763 1.00 1.49 O ATOM 2606 OE2 GLU B 71 0.030 3.641 13.928 1.00 1.26 O ATOM 0 H GLU B 71 3.197 3.810 11.176 1.00 0.32 H new ATOM 0 HA GLU B 71 3.263 6.612 12.077 1.00 0.39 H new ATOM 0 HB2 GLU B 71 0.866 6.795 12.439 1.00 0.40 H new ATOM 0 HB3 GLU B 71 1.131 6.434 10.745 1.00 0.40 H new ATOM 0 HG2 GLU B 71 -0.470 4.812 11.176 1.00 0.49 H new ATOM 0 HG3 GLU B 71 0.944 3.887 11.640 1.00 0.49 H new ATOM 2613 N VAL B 72 2.433 5.698 14.441 1.00 0.45 N ATOM 2614 CA VAL B 72 2.502 5.088 15.791 1.00 0.49 C ATOM 2615 C VAL B 72 1.173 4.431 16.153 1.00 0.52 C ATOM 2616 O VAL B 72 0.112 4.992 15.966 1.00 0.71 O ATOM 2617 CB VAL B 72 2.845 6.160 16.827 1.00 0.59 C ATOM 2618 CG1 VAL B 72 3.987 5.660 17.712 1.00 0.56 C ATOM 2619 CG2 VAL B 72 3.277 7.444 16.116 1.00 0.87 C ATOM 0 H VAL B 72 2.130 6.672 14.417 1.00 0.45 H new ATOM 0 HA VAL B 72 3.279 4.324 15.786 1.00 0.49 H new ATOM 0 HB VAL B 72 1.968 6.365 17.441 1.00 0.59 H new ATOM 0 HG11 VAL B 72 4.234 6.421 18.452 1.00 0.56 H new ATOM 0 HG12 VAL B 72 3.680 4.746 18.221 1.00 0.56 H new ATOM 0 HG13 VAL B 72 4.862 5.455 17.095 1.00 0.56 H new ATOM 0 HG21 VAL B 72 3.521 8.206 16.857 1.00 0.87 H new ATOM 0 HG22 VAL B 72 4.154 7.242 15.501 1.00 0.87 H new ATOM 0 HG23 VAL B 72 2.464 7.800 15.483 1.00 0.87 H new ATOM 2629 N ARG B 73 1.235 3.233 16.669 1.00 0.47 N ATOM 2630 CA ARG B 73 -0.010 2.510 17.049 1.00 0.50 C ATOM 2631 C ARG B 73 0.244 1.700 18.322 1.00 0.54 C ATOM 2632 O ARG B 73 0.817 0.630 18.284 1.00 0.55 O ATOM 2633 CB ARG B 73 -0.405 1.557 15.917 1.00 0.49 C ATOM 2634 CG ARG B 73 -1.800 1.908 15.389 1.00 0.62 C ATOM 2635 CD ARG B 73 -2.852 1.541 16.434 1.00 0.72 C ATOM 2636 NE ARG B 73 -3.413 0.193 16.132 1.00 0.90 N ATOM 2637 CZ ARG B 73 -4.574 -0.155 16.619 1.00 1.40 C ATOM 2638 NH1 ARG B 73 -5.257 0.690 17.342 1.00 2.18 N ATOM 2639 NH2 ARG B 73 -5.053 -1.345 16.381 1.00 1.68 N ATOM 0 H ARG B 73 2.100 2.722 16.844 1.00 0.47 H new ATOM 0 HA ARG B 73 -0.812 3.228 17.224 1.00 0.50 H new ATOM 0 HB2 ARG B 73 0.324 1.620 15.109 1.00 0.49 H new ATOM 0 HB3 ARG B 73 -0.393 0.528 16.278 1.00 0.49 H new ATOM 0 HG2 ARG B 73 -1.856 2.972 15.160 1.00 0.62 H new ATOM 0 HG3 ARG B 73 -1.994 1.372 14.460 1.00 0.62 H new ATOM 0 HD2 ARG B 73 -2.407 1.545 17.429 1.00 0.72 H new ATOM 0 HD3 ARG B 73 -3.649 2.284 16.438 1.00 0.72 H new ATOM 0 HE ARG B 73 -2.890 -0.457 15.545 1.00 0.90 H new ATOM 0 HH11 ARG B 73 -4.884 1.621 17.526 1.00 2.18 H new ATOM 0 HH12 ARG B 73 -6.164 0.419 17.723 1.00 2.18 H new ATOM 0 HH21 ARG B 73 -4.521 -2.005 15.814 1.00 1.68 H new ATOM 0 HH22 ARG B 73 -5.960 -1.615 16.762 1.00 1.68 H new ATOM 2653 N ASP B 74 -0.183 2.214 19.446 1.00 0.59 N ATOM 2654 CA ASP B 74 0.011 1.499 20.742 1.00 0.65 C ATOM 2655 C ASP B 74 1.441 1.713 21.246 1.00 0.65 C ATOM 2656 O ASP B 74 2.077 0.802 21.736 1.00 0.67 O ATOM 2657 CB ASP B 74 -0.251 0.005 20.559 1.00 0.66 C ATOM 2658 CG ASP B 74 -0.827 -0.574 21.853 1.00 0.76 C ATOM 2659 OD1 ASP B 74 -1.870 -0.104 22.277 1.00 1.25 O ATOM 2660 OD2 ASP B 74 -0.216 -1.479 22.398 1.00 1.35 O ATOM 0 H ASP B 74 -0.664 3.110 19.521 1.00 0.59 H new ATOM 0 HA ASP B 74 -0.691 1.898 21.474 1.00 0.65 H new ATOM 0 HB2 ASP B 74 -0.947 -0.155 19.735 1.00 0.66 H new ATOM 0 HB3 ASP B 74 0.675 -0.508 20.299 1.00 0.66 H new ATOM 2665 N ARG B 75 1.951 2.911 21.126 1.00 0.64 N ATOM 2666 CA ARG B 75 3.343 3.193 21.595 1.00 0.66 C ATOM 2667 C ARG B 75 4.332 2.416 20.732 1.00 0.60 C ATOM 2668 O ARG B 75 5.434 2.109 21.141 1.00 0.65 O ATOM 2669 CB ARG B 75 3.506 2.796 23.066 1.00 0.75 C ATOM 2670 CG ARG B 75 3.825 4.040 23.896 1.00 0.85 C ATOM 2671 CD ARG B 75 2.650 5.015 23.819 1.00 0.86 C ATOM 2672 NE ARG B 75 2.179 5.334 25.197 1.00 1.19 N ATOM 2673 CZ ARG B 75 1.413 6.371 25.404 1.00 1.81 C ATOM 2674 NH1 ARG B 75 1.060 7.131 24.403 1.00 2.57 N ATOM 2675 NH2 ARG B 75 1.001 6.648 26.611 1.00 2.18 N ATOM 0 H ARG B 75 1.462 3.710 20.722 1.00 0.64 H new ATOM 0 HA ARG B 75 3.539 4.261 21.505 1.00 0.66 H new ATOM 0 HB2 ARG B 75 2.592 2.327 23.431 1.00 0.75 H new ATOM 0 HB3 ARG B 75 4.305 2.062 23.169 1.00 0.75 H new ATOM 0 HG2 ARG B 75 4.013 3.761 24.933 1.00 0.85 H new ATOM 0 HG3 ARG B 75 4.732 4.516 23.524 1.00 0.85 H new ATOM 0 HD2 ARG B 75 2.954 5.928 23.306 1.00 0.86 H new ATOM 0 HD3 ARG B 75 1.838 4.578 23.238 1.00 0.86 H new ATOM 0 HE ARG B 75 2.456 4.741 25.980 1.00 1.19 H new ATOM 0 HH11 ARG B 75 1.383 6.915 23.460 1.00 2.57 H new ATOM 0 HH12 ARG B 75 0.462 7.941 24.564 1.00 2.57 H new ATOM 0 HH21 ARG B 75 1.277 6.054 27.393 1.00 2.18 H new ATOM 0 HH22 ARG B 75 0.403 7.458 26.772 1.00 2.18 H new ATOM 2689 N ARG B 76 3.951 2.122 19.524 1.00 0.50 N ATOM 2690 CA ARG B 76 4.870 1.388 18.618 1.00 0.44 C ATOM 2691 C ARG B 76 4.584 1.787 17.180 1.00 0.40 C ATOM 2692 O ARG B 76 3.502 2.226 16.846 1.00 0.39 O ATOM 2693 CB ARG B 76 4.661 -0.116 18.724 1.00 0.45 C ATOM 2694 CG ARG B 76 5.968 -0.809 19.133 1.00 0.62 C ATOM 2695 CD ARG B 76 6.346 -0.441 20.572 1.00 1.29 C ATOM 2696 NE ARG B 76 7.083 -1.579 21.190 1.00 1.55 N ATOM 2697 CZ ARG B 76 7.396 -1.547 22.457 1.00 2.38 C ATOM 2698 NH1 ARG B 76 7.065 -0.515 23.184 1.00 3.14 N ATOM 2699 NH2 ARG B 76 8.038 -2.547 22.995 1.00 2.85 N ATOM 0 H ARG B 76 3.043 2.358 19.125 1.00 0.50 H new ATOM 0 HA ARG B 76 5.891 1.638 18.906 1.00 0.44 H new ATOM 0 HB2 ARG B 76 3.883 -0.331 19.457 1.00 0.45 H new ATOM 0 HB3 ARG B 76 4.316 -0.510 17.768 1.00 0.45 H new ATOM 0 HG2 ARG B 76 5.856 -1.890 19.046 1.00 0.62 H new ATOM 0 HG3 ARG B 76 6.769 -0.516 18.454 1.00 0.62 H new ATOM 0 HD2 ARG B 76 6.965 0.456 20.580 1.00 1.29 H new ATOM 0 HD3 ARG B 76 5.450 -0.215 21.150 1.00 1.29 H new ATOM 0 HE ARG B 76 7.344 -2.385 20.622 1.00 1.55 H new ATOM 0 HH11 ARG B 76 6.562 0.266 22.762 1.00 3.14 H new ATOM 0 HH12 ARG B 76 7.309 -0.489 24.174 1.00 3.14 H new ATOM 0 HH21 ARG B 76 8.295 -3.353 22.426 1.00 2.85 H new ATOM 0 HH22 ARG B 76 8.283 -2.523 23.985 1.00 2.85 H new ATOM 2713 N ARG B 77 5.560 1.657 16.337 1.00 0.38 N ATOM 2714 CA ARG B 77 5.353 2.057 14.920 1.00 0.34 C ATOM 2715 C ARG B 77 4.809 0.906 14.097 1.00 0.30 C ATOM 2716 O ARG B 77 5.248 -0.223 14.198 1.00 0.32 O ATOM 2717 CB ARG B 77 6.644 2.566 14.285 1.00 0.36 C ATOM 2718 CG ARG B 77 6.327 3.835 13.485 1.00 0.47 C ATOM 2719 CD ARG B 77 7.488 4.161 12.546 1.00 0.48 C ATOM 2720 NE ARG B 77 8.748 4.293 13.333 1.00 1.12 N ATOM 2721 CZ ARG B 77 9.054 5.431 13.899 1.00 1.45 C ATOM 2722 NH1 ARG B 77 8.246 6.452 13.800 1.00 1.69 N ATOM 2723 NH2 ARG B 77 10.168 5.545 14.568 1.00 2.39 N ATOM 0 H ARG B 77 6.487 1.294 16.561 1.00 0.38 H new ATOM 0 HA ARG B 77 4.623 2.867 14.927 1.00 0.34 H new ATOM 0 HB2 ARG B 77 7.386 2.779 15.055 1.00 0.36 H new ATOM 0 HB3 ARG B 77 7.071 1.804 13.633 1.00 0.36 H new ATOM 0 HG2 ARG B 77 5.412 3.694 12.910 1.00 0.47 H new ATOM 0 HG3 ARG B 77 6.152 4.669 14.164 1.00 0.47 H new ATOM 0 HD2 ARG B 77 7.595 3.375 11.798 1.00 0.48 H new ATOM 0 HD3 ARG B 77 7.285 5.087 12.008 1.00 0.48 H new ATOM 0 HE ARG B 77 9.373 3.493 13.430 1.00 1.12 H new ATOM 0 HH11 ARG B 77 7.373 6.363 13.280 1.00 1.69 H new ATOM 0 HH12 ARG B 77 8.488 7.338 14.243 1.00 1.69 H new ATOM 0 HH21 ARG B 77 10.798 4.747 14.649 1.00 2.39 H new ATOM 0 HH22 ARG B 77 10.409 6.432 15.010 1.00 2.39 H new ATOM 2737 N ILE B 78 3.845 1.209 13.276 1.00 0.26 N ATOM 2738 CA ILE B 78 3.226 0.180 12.413 1.00 0.23 C ATOM 2739 C ILE B 78 3.071 0.765 11.016 1.00 0.21 C ATOM 2740 O ILE B 78 3.013 1.964 10.832 1.00 0.22 O ATOM 2741 CB ILE B 78 1.836 -0.181 12.965 1.00 0.24 C ATOM 2742 CG1 ILE B 78 1.418 -1.596 12.529 1.00 0.26 C ATOM 2743 CG2 ILE B 78 0.797 0.811 12.442 1.00 0.32 C ATOM 2744 CD1 ILE B 78 1.334 -2.507 13.752 1.00 0.58 C ATOM 0 H ILE B 78 3.456 2.146 13.168 1.00 0.26 H new ATOM 0 HA ILE B 78 3.847 -0.715 12.387 1.00 0.23 H new ATOM 0 HB ILE B 78 1.889 -0.141 14.053 1.00 0.24 H new ATOM 0 HG12 ILE B 78 0.453 -1.561 12.023 1.00 0.26 H new ATOM 0 HG13 ILE B 78 2.139 -1.995 11.815 1.00 0.26 H new ATOM 0 HG21 ILE B 78 -0.185 0.551 12.836 1.00 0.32 H new ATOM 0 HG22 ILE B 78 1.062 1.818 12.764 1.00 0.32 H new ATOM 0 HG23 ILE B 78 0.773 0.772 11.353 1.00 0.32 H new ATOM 0 HD11 ILE B 78 1.038 -3.508 13.440 1.00 0.58 H new ATOM 0 HD12 ILE B 78 2.308 -2.552 14.240 1.00 0.58 H new ATOM 0 HD13 ILE B 78 0.596 -2.111 14.450 1.00 0.58 H new ATOM 2756 N SER B 79 3.048 -0.071 10.033 1.00 0.20 N ATOM 2757 CA SER B 79 2.949 0.421 8.640 1.00 0.19 C ATOM 2758 C SER B 79 1.484 0.623 8.266 1.00 0.20 C ATOM 2759 O SER B 79 0.602 -0.027 8.790 1.00 0.22 O ATOM 2760 CB SER B 79 3.562 -0.626 7.707 1.00 0.22 C ATOM 2761 OG SER B 79 4.099 -1.686 8.485 1.00 0.61 O ATOM 0 H SER B 79 3.094 -1.085 10.132 1.00 0.20 H new ATOM 0 HA SER B 79 3.478 1.370 8.548 1.00 0.19 H new ATOM 0 HB2 SER B 79 2.805 -1.008 7.022 1.00 0.22 H new ATOM 0 HB3 SER B 79 4.344 -0.174 7.097 1.00 0.22 H new ATOM 0 HG SER B 79 5.017 -1.870 8.197 1.00 0.61 H new ATOM 2767 N TYR B 80 1.229 1.525 7.354 1.00 0.23 N ATOM 2768 CA TYR B 80 -0.178 1.772 6.931 1.00 0.29 C ATOM 2769 C TYR B 80 -0.231 2.048 5.432 1.00 0.29 C ATOM 2770 O TYR B 80 0.656 2.659 4.868 1.00 0.27 O ATOM 2771 CB TYR B 80 -0.814 2.939 7.732 1.00 0.41 C ATOM 2772 CG TYR B 80 -0.236 4.294 7.354 1.00 0.94 C ATOM 2773 CD1 TYR B 80 -0.524 4.877 6.107 1.00 1.88 C ATOM 2774 CD2 TYR B 80 0.581 4.981 8.264 1.00 1.63 C ATOM 2775 CE1 TYR B 80 0.008 6.130 5.778 1.00 2.80 C ATOM 2776 CE2 TYR B 80 1.111 6.235 7.923 1.00 2.58 C ATOM 2777 CZ TYR B 80 0.825 6.804 6.684 1.00 3.04 C ATOM 2778 OH TYR B 80 1.347 8.039 6.355 1.00 4.08 O ATOM 0 H TYR B 80 1.932 2.098 6.887 1.00 0.23 H new ATOM 0 HA TYR B 80 -0.761 0.876 7.144 1.00 0.29 H new ATOM 0 HB2 TYR B 80 -1.890 2.947 7.561 1.00 0.41 H new ATOM 0 HB3 TYR B 80 -0.662 2.768 8.798 1.00 0.41 H new ATOM 0 HD1 TYR B 80 -1.156 4.358 5.402 1.00 1.88 H new ATOM 0 HD2 TYR B 80 0.802 4.545 9.227 1.00 1.63 H new ATOM 0 HE1 TYR B 80 -0.215 6.575 4.820 1.00 2.80 H new ATOM 0 HE2 TYR B 80 1.743 6.761 8.624 1.00 2.58 H new ATOM 0 HH TYR B 80 1.894 8.371 7.097 1.00 4.08 H new ATOM 2788 N ILE B 81 -1.303 1.631 4.798 1.00 0.31 N ATOM 2789 CA ILE B 81 -1.481 1.893 3.338 1.00 0.32 C ATOM 2790 C ILE B 81 -2.765 2.703 3.156 1.00 0.31 C ATOM 2791 O ILE B 81 -3.799 2.393 3.725 1.00 0.31 O ATOM 2792 CB ILE B 81 -1.584 0.587 2.513 1.00 0.35 C ATOM 2793 CG1 ILE B 81 -2.880 -0.163 2.841 1.00 0.70 C ATOM 2794 CG2 ILE B 81 -0.397 -0.340 2.791 1.00 0.90 C ATOM 2795 CD1 ILE B 81 -3.927 0.092 1.746 1.00 0.69 C ATOM 0 H ILE B 81 -2.067 1.116 5.236 1.00 0.31 H new ATOM 0 HA ILE B 81 -0.607 2.436 2.977 1.00 0.32 H new ATOM 0 HB ILE B 81 -1.580 0.871 1.461 1.00 0.35 H new ATOM 0 HG12 ILE B 81 -2.681 -1.231 2.923 1.00 0.70 H new ATOM 0 HG13 ILE B 81 -3.265 0.165 3.807 1.00 0.70 H new ATOM 0 HG21 ILE B 81 -0.498 -1.248 2.197 1.00 0.90 H new ATOM 0 HG22 ILE B 81 0.531 0.167 2.524 1.00 0.90 H new ATOM 0 HG23 ILE B 81 -0.378 -0.599 3.850 1.00 0.90 H new ATOM 0 HD11 ILE B 81 -4.844 -0.445 1.988 1.00 0.69 H new ATOM 0 HD12 ILE B 81 -4.137 1.160 1.685 1.00 0.69 H new ATOM 0 HD13 ILE B 81 -3.544 -0.258 0.787 1.00 0.69 H new ATOM 2807 N LEU B 82 -2.708 3.740 2.369 1.00 0.30 N ATOM 2808 CA LEU B 82 -3.916 4.578 2.130 1.00 0.29 C ATOM 2809 C LEU B 82 -4.369 4.324 0.695 1.00 0.27 C ATOM 2810 O LEU B 82 -3.591 4.501 -0.218 1.00 0.30 O ATOM 2811 CB LEU B 82 -3.541 6.051 2.295 1.00 0.31 C ATOM 2812 CG LEU B 82 -2.622 6.224 3.505 1.00 0.33 C ATOM 2813 CD1 LEU B 82 -2.266 7.705 3.672 1.00 0.34 C ATOM 2814 CD2 LEU B 82 -3.343 5.734 4.763 1.00 0.37 C ATOM 0 H LEU B 82 -1.869 4.046 1.877 1.00 0.30 H new ATOM 0 HA LEU B 82 -4.711 4.333 2.834 1.00 0.29 H new ATOM 0 HB2 LEU B 82 -3.043 6.411 1.395 1.00 0.31 H new ATOM 0 HB3 LEU B 82 -4.441 6.652 2.423 1.00 0.31 H new ATOM 0 HG LEU B 82 -1.711 5.645 3.353 1.00 0.33 H new ATOM 0 HD11 LEU B 82 -1.611 7.827 4.535 1.00 0.34 H new ATOM 0 HD12 LEU B 82 -1.756 8.060 2.776 1.00 0.34 H new ATOM 0 HD13 LEU B 82 -3.177 8.283 3.824 1.00 0.34 H new ATOM 0 HD21 LEU B 82 -2.690 5.856 5.627 1.00 0.37 H new ATOM 0 HD22 LEU B 82 -4.253 6.315 4.911 1.00 0.37 H new ATOM 0 HD23 LEU B 82 -3.600 4.681 4.648 1.00 0.37 H new ATOM 2826 N LEU B 83 -5.594 3.891 0.470 1.00 0.23 N ATOM 2827 CA LEU B 83 -6.021 3.613 -0.939 1.00 0.23 C ATOM 2828 C LEU B 83 -7.328 4.316 -1.258 1.00 0.22 C ATOM 2829 O LEU B 83 -8.314 4.188 -0.558 1.00 0.21 O ATOM 2830 CB LEU B 83 -6.216 2.108 -1.122 1.00 0.25 C ATOM 2831 CG LEU B 83 -5.486 1.614 -2.375 1.00 0.48 C ATOM 2832 CD1 LEU B 83 -5.464 0.085 -2.367 1.00 0.46 C ATOM 2833 CD2 LEU B 83 -6.206 2.094 -3.635 1.00 0.98 C ATOM 0 H LEU B 83 -6.300 3.722 1.187 1.00 0.23 H new ATOM 0 HA LEU B 83 -5.247 3.983 -1.611 1.00 0.23 H new ATOM 0 HB2 LEU B 83 -5.842 1.579 -0.245 1.00 0.25 H new ATOM 0 HB3 LEU B 83 -7.279 1.881 -1.202 1.00 0.25 H new ATOM 0 HG LEU B 83 -4.470 2.010 -2.374 1.00 0.48 H new ATOM 0 HD11 LEU B 83 -4.946 -0.276 -3.256 1.00 0.46 H new ATOM 0 HD12 LEU B 83 -4.944 -0.267 -1.476 1.00 0.46 H new ATOM 0 HD13 LEU B 83 -6.486 -0.294 -2.364 1.00 0.46 H new ATOM 0 HD21 LEU B 83 -5.675 1.735 -4.517 1.00 0.98 H new ATOM 0 HD22 LEU B 83 -7.225 1.706 -3.642 1.00 0.98 H new ATOM 0 HD23 LEU B 83 -6.232 3.184 -3.646 1.00 0.98 H new ATOM 2845 N ARG B 84 -7.318 5.060 -2.327 1.00 0.23 N ATOM 2846 CA ARG B 84 -8.540 5.797 -2.743 1.00 0.24 C ATOM 2847 C ARG B 84 -9.215 5.054 -3.896 1.00 0.30 C ATOM 2848 O ARG B 84 -8.659 4.138 -4.465 1.00 0.71 O ATOM 2849 CB ARG B 84 -8.184 7.233 -3.154 1.00 0.29 C ATOM 2850 CG ARG B 84 -9.366 8.159 -2.835 1.00 0.30 C ATOM 2851 CD ARG B 84 -8.961 9.622 -3.018 1.00 0.34 C ATOM 2852 NE ARG B 84 -10.010 10.501 -2.430 1.00 0.41 N ATOM 2853 CZ ARG B 84 -9.879 11.799 -2.487 1.00 0.50 C ATOM 2854 NH1 ARG B 84 -8.832 12.325 -3.060 1.00 0.55 N ATOM 2855 NH2 ARG B 84 -10.797 12.570 -1.970 1.00 0.60 N ATOM 0 H ARG B 84 -6.509 5.190 -2.934 1.00 0.23 H new ATOM 0 HA ARG B 84 -9.233 5.850 -1.903 1.00 0.24 H new ATOM 0 HB2 ARG B 84 -7.293 7.566 -2.622 1.00 0.29 H new ATOM 0 HB3 ARG B 84 -7.953 7.272 -4.219 1.00 0.29 H new ATOM 0 HG2 ARG B 84 -10.207 7.924 -3.487 1.00 0.30 H new ATOM 0 HG3 ARG B 84 -9.700 7.993 -1.811 1.00 0.30 H new ATOM 0 HD2 ARG B 84 -8.002 9.809 -2.535 1.00 0.34 H new ATOM 0 HD3 ARG B 84 -8.834 9.846 -4.077 1.00 0.34 H new ATOM 0 HE ARG B 84 -10.830 10.090 -1.983 1.00 0.41 H new ATOM 0 HH11 ARG B 84 -8.115 11.722 -3.464 1.00 0.55 H new ATOM 0 HH12 ARG B 84 -8.730 13.339 -3.104 1.00 0.55 H new ATOM 0 HH21 ARG B 84 -11.616 12.158 -1.522 1.00 0.60 H new ATOM 0 HH22 ARG B 84 -10.695 13.584 -2.014 1.00 0.60 H new ATOM 2869 N LEU B 85 -10.410 5.443 -4.242 1.00 0.31 N ATOM 2870 CA LEU B 85 -11.111 4.744 -5.363 1.00 0.28 C ATOM 2871 C LEU B 85 -12.226 5.618 -5.912 1.00 0.27 C ATOM 2872 O LEU B 85 -12.923 6.258 -5.170 1.00 0.29 O ATOM 2873 CB LEU B 85 -11.711 3.430 -4.855 1.00 0.29 C ATOM 2874 CG LEU B 85 -11.594 2.326 -5.915 1.00 0.56 C ATOM 2875 CD1 LEU B 85 -10.199 1.696 -5.885 1.00 1.44 C ATOM 2876 CD2 LEU B 85 -12.628 1.240 -5.613 1.00 0.93 C ATOM 0 H LEU B 85 -10.929 6.205 -3.806 1.00 0.31 H new ATOM 0 HA LEU B 85 -10.389 4.541 -6.154 1.00 0.28 H new ATOM 0 HB2 LEU B 85 -11.199 3.120 -3.944 1.00 0.29 H new ATOM 0 HB3 LEU B 85 -12.759 3.581 -4.596 1.00 0.29 H new ATOM 0 HG LEU B 85 -11.766 2.762 -6.899 1.00 0.56 H new ATOM 0 HD11 LEU B 85 -10.136 0.916 -6.643 1.00 1.44 H new ATOM 0 HD12 LEU B 85 -9.450 2.461 -6.088 1.00 1.44 H new ATOM 0 HD13 LEU B 85 -10.017 1.262 -4.902 1.00 1.44 H new ATOM 0 HD21 LEU B 85 -12.554 0.450 -6.360 1.00 0.93 H new ATOM 0 HD22 LEU B 85 -12.439 0.823 -4.624 1.00 0.93 H new ATOM 0 HD23 LEU B 85 -13.628 1.672 -5.640 1.00 0.93 H new ATOM 2888 N LYS B 86 -12.397 5.632 -7.208 1.00 0.31 N ATOM 2889 CA LYS B 86 -13.480 6.458 -7.828 1.00 0.33 C ATOM 2890 C LYS B 86 -14.394 5.559 -8.664 1.00 0.30 C ATOM 2891 O LYS B 86 -13.954 4.600 -9.258 1.00 0.34 O ATOM 2892 CB LYS B 86 -12.857 7.521 -8.728 1.00 0.39 C ATOM 2893 CG LYS B 86 -13.953 8.301 -9.460 1.00 0.41 C ATOM 2894 CD LYS B 86 -14.066 7.828 -10.913 1.00 0.41 C ATOM 2895 CE LYS B 86 -14.992 8.772 -11.677 1.00 0.51 C ATOM 2896 NZ LYS B 86 -14.176 9.705 -12.506 1.00 1.31 N ATOM 0 H LYS B 86 -11.829 5.103 -7.870 1.00 0.31 H new ATOM 0 HA LYS B 86 -14.062 6.940 -7.042 1.00 0.33 H new ATOM 0 HB2 LYS B 86 -12.251 8.203 -8.132 1.00 0.39 H new ATOM 0 HB3 LYS B 86 -12.190 7.051 -9.451 1.00 0.39 H new ATOM 0 HG2 LYS B 86 -14.907 8.164 -8.951 1.00 0.41 H new ATOM 0 HG3 LYS B 86 -13.728 9.367 -9.434 1.00 0.41 H new ATOM 0 HD2 LYS B 86 -13.081 7.809 -11.380 1.00 0.41 H new ATOM 0 HD3 LYS B 86 -14.455 6.810 -10.948 1.00 0.41 H new ATOM 0 HE2 LYS B 86 -15.668 8.200 -12.313 1.00 0.51 H new ATOM 0 HE3 LYS B 86 -15.611 9.335 -10.979 1.00 0.51 H new ATOM 0 HZ1 LYS B 86 -14.806 10.348 -13.027 1.00 1.31 H new ATOM 0 HZ2 LYS B 86 -13.548 10.259 -11.889 1.00 1.31 H new ATOM 0 HZ3 LYS B 86 -13.604 9.159 -13.181 1.00 1.31 H new ATOM 2910 N ARG B 87 -15.661 5.869 -8.718 1.00 0.28 N ATOM 2911 CA ARG B 87 -16.600 5.029 -9.527 1.00 0.27 C ATOM 2912 C ARG B 87 -16.844 5.674 -10.891 1.00 0.28 C ATOM 2913 O ARG B 87 -17.065 6.864 -11.000 1.00 0.32 O ATOM 2914 CB ARG B 87 -17.940 4.889 -8.804 1.00 0.29 C ATOM 2915 CG ARG B 87 -17.746 4.135 -7.483 1.00 0.61 C ATOM 2916 CD ARG B 87 -17.354 2.677 -7.757 1.00 0.42 C ATOM 2917 NE ARG B 87 -17.751 1.840 -6.589 1.00 0.48 N ATOM 2918 CZ ARG B 87 -17.984 0.565 -6.745 1.00 0.81 C ATOM 2919 NH1 ARG B 87 -17.848 0.010 -7.919 1.00 1.64 N ATOM 2920 NH2 ARG B 87 -18.350 -0.158 -5.723 1.00 0.87 N ATOM 0 H ARG B 87 -16.088 6.663 -8.241 1.00 0.28 H new ATOM 0 HA ARG B 87 -16.149 4.046 -9.660 1.00 0.27 H new ATOM 0 HB2 ARG B 87 -18.363 5.875 -8.611 1.00 0.29 H new ATOM 0 HB3 ARG B 87 -18.650 4.355 -9.436 1.00 0.29 H new ATOM 0 HG2 ARG B 87 -16.973 4.621 -6.889 1.00 0.61 H new ATOM 0 HG3 ARG B 87 -18.665 4.168 -6.899 1.00 0.61 H new ATOM 0 HD2 ARG B 87 -17.846 2.319 -8.661 1.00 0.42 H new ATOM 0 HD3 ARG B 87 -16.280 2.601 -7.927 1.00 0.42 H new ATOM 0 HE ARG B 87 -17.841 2.264 -5.666 1.00 0.48 H new ATOM 0 HH11 ARG B 87 -17.559 0.573 -8.719 1.00 1.64 H new ATOM 0 HH12 ARG B 87 -18.031 -0.987 -8.036 1.00 1.64 H new ATOM 0 HH21 ARG B 87 -18.454 0.273 -4.804 1.00 0.87 H new ATOM 0 HH22 ARG B 87 -18.533 -1.154 -5.842 1.00 0.87 H new ATOM 2934 N VAL B 88 -16.823 4.876 -11.926 1.00 0.28 N ATOM 2935 CA VAL B 88 -17.068 5.400 -13.305 1.00 0.32 C ATOM 2936 C VAL B 88 -18.382 4.817 -13.821 1.00 0.34 C ATOM 2937 O VAL B 88 -18.882 5.199 -14.860 1.00 0.39 O ATOM 2938 CB VAL B 88 -15.927 4.977 -14.232 1.00 0.34 C ATOM 2939 CG1 VAL B 88 -16.361 5.141 -15.689 1.00 0.49 C ATOM 2940 CG2 VAL B 88 -14.697 5.847 -13.971 1.00 0.68 C ATOM 0 H VAL B 88 -16.645 3.873 -11.875 1.00 0.28 H new ATOM 0 HA VAL B 88 -17.121 6.488 -13.282 1.00 0.32 H new ATOM 0 HB VAL B 88 -15.680 3.933 -14.039 1.00 0.34 H new ATOM 0 HG11 VAL B 88 -15.547 4.839 -16.347 1.00 0.49 H new ATOM 0 HG12 VAL B 88 -17.234 4.517 -15.881 1.00 0.49 H new ATOM 0 HG13 VAL B 88 -16.613 6.184 -15.878 1.00 0.49 H new ATOM 0 HG21 VAL B 88 -13.888 5.541 -14.634 1.00 0.68 H new ATOM 0 HG22 VAL B 88 -14.944 6.892 -14.158 1.00 0.68 H new ATOM 0 HG23 VAL B 88 -14.381 5.729 -12.934 1.00 0.68 H new ATOM 2950 N TYR B 89 -18.948 3.898 -13.090 1.00 0.33 N ATOM 2951 CA TYR B 89 -20.235 3.291 -13.524 1.00 0.39 C ATOM 2952 C TYR B 89 -20.835 2.487 -12.369 1.00 0.50 C ATOM 2953 O TYR B 89 -22.050 2.395 -12.307 1.00 1.12 O ATOM 2954 CB TYR B 89 -19.994 2.367 -14.719 1.00 0.41 C ATOM 2955 CG TYR B 89 -21.257 2.268 -15.540 1.00 0.54 C ATOM 2956 CD1 TYR B 89 -21.617 3.312 -16.401 1.00 1.13 C ATOM 2957 CD2 TYR B 89 -22.071 1.134 -15.438 1.00 1.47 C ATOM 2958 CE1 TYR B 89 -22.789 3.220 -17.161 1.00 1.27 C ATOM 2959 CE2 TYR B 89 -23.244 1.042 -16.197 1.00 1.77 C ATOM 2960 CZ TYR B 89 -23.603 2.085 -17.059 1.00 1.26 C ATOM 2961 OH TYR B 89 -24.759 1.995 -17.808 1.00 1.66 O ATOM 2962 OXT TYR B 89 -20.071 1.979 -11.565 1.00 1.01 O ATOM 0 H TYR B 89 -18.574 3.541 -12.211 1.00 0.33 H new ATOM 0 HA TYR B 89 -20.926 4.082 -13.815 1.00 0.39 H new ATOM 0 HB2 TYR B 89 -19.178 2.752 -15.331 1.00 0.41 H new ATOM 0 HB3 TYR B 89 -19.694 1.378 -14.373 1.00 0.41 H new ATOM 0 HD1 TYR B 89 -20.990 4.188 -16.479 1.00 1.13 H new ATOM 0 HD2 TYR B 89 -21.794 0.329 -14.773 1.00 1.47 H new ATOM 0 HE1 TYR B 89 -23.066 4.025 -17.826 1.00 1.27 H new ATOM 0 HE2 TYR B 89 -23.872 0.167 -16.117 1.00 1.77 H new ATOM 0 HH TYR B 89 -25.206 1.143 -17.619 1.00 1.66 H new TER 2972 TYR B 89