USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1288 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 48 LYS NZ :NH3+ -122:sc= 0.307 (180deg=-0.381) USER MOD Set 1.2: B 30 THR OG1 : rot 180:sc= 0.0709 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0.0586 (180deg=-0.204) USER MOD Single : A 4 GLN : amide:sc= -0.0638 K(o=-0.064,f=-0.77) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot -142:sc= 1.22 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot -31:sc= 0.0155 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 14 SER OG : rot 91:sc= 1.21 USER MOD Single : A 25 LYS NZ :NH3+ 143:sc= 0.934 (180deg=-0.553!) USER MOD Single : A 26 HIS : no HD1:sc= 0.766 K(o=0.77,f=-5.7!) USER MOD Single : A 27 LYS NZ :NH3+ 137:sc= -1.91! (180deg=-4.35!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0331 USER MOD Single : A 33 SER OG : rot 76:sc= 0.856 USER MOD Single : A 35 MET CE :methyl -159:sc= -0.22 (180deg=-0.914) USER MOD Single : A 39 ASN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD Single : A 40 CYS SG : rot 83:sc= -1.25! USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0344 USER MOD Single : A 43 HIS : no HE2:sc= -2.15! C(o=-2.2!,f=-8.8!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -1.37 X(o=-1.4,f=-1) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 63 LYS NZ :NH3+ 172:sc= -5.21! (180deg=-5.33!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 71:sc= 0.963 USER MOD Single : A 70 LYS NZ :NH3+ 148:sc= 0.67 (180deg=-0.00114) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.0518 X(o=0.052,f=0) USER MOD Single : A 75 HIS : no HE2:sc= 0.24 K(o=0.24,f=-1.6) USER MOD Single : A 76 HIS : no HD1:sc= -0.0682 X(o=-0.068,f=-0.048) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -123:sc= 0.0035 (180deg=-0.0744) USER MOD Single : B 4 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 6 LYS NZ :NH3+ 171:sc= -0.0171 (180deg=-0.148) USER MOD Single : B 7 TYR OH : rot 150:sc= 0 USER MOD Single : B 8 SER OG : rot 180:sc= 0 USER MOD Single : B 9 ASN : amide:sc= 0.413 X(o=0.41,f=0) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 11 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : B 14 SER OG : rot 61:sc= 1.22 USER MOD Single : B 25 LYS NZ :NH3+ -159:sc= -0.0954 (180deg=-0.544) USER MOD Single : B 26 HIS : no HD1:sc= 0.433 K(o=0.43,f=-5.5!) USER MOD Single : B 27 LYS NZ :NH3+ -139:sc= -1.82! (180deg=-4.21!) USER MOD Single : B 33 SER OG : rot 2:sc= 0.65 USER MOD Single : B 35 MET CE :methyl 169:sc= -0.0279 (180deg=-0.237) USER MOD Single : B 39 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : B 40 CYS SG : rot 170:sc= -2.38! USER MOD Single : B 42 THR OG1 : rot 82:sc= 0.459 USER MOD Single : B 43 HIS : no HE2:sc= 1.2 K(o=1.2,f=-4.3!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 55 GLN : amide:sc= -3.79! K(o=-3.8!,f=-2.2) USER MOD Single : B 60 GLN : amide:sc= -0.915 K(o=-0.91,f=0) USER MOD Single : B 63 LYS NZ :NH3+ 144:sc= -0.0231 (180deg=-0.221) USER MOD Single : B 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 68 SER OG : rot 73:sc= 0.976 USER MOD Single : B 70 LYS NZ :NH3+ -136:sc= -0.933 (180deg=-3.28!) USER MOD Single : B 71 SER OG : rot 55:sc= 0.787 USER MOD Single : B 72 ASN : amide:sc= 0.417 K(o=0.42,f=-0.79) USER MOD Single : B 75 HIS : no HD1:sc= -2.08! K(o=-2.1!,f=0.35) USER MOD Single : B 76 HIS : no HD1:sc= -0.255 X(o=-0.26,f=-0.094) USER MOD Single : B 77 HIS : no HE2:sc= 1.01 K(o=1,f=-6!) USER MOD Single : B 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 79 HIS : no HD1:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : B 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.720 34.309 -9.643 1.00 0.00 N ATOM 2 CA MET A 1 -4.869 33.403 -9.868 1.00 0.00 C ATOM 3 C MET A 1 -4.536 32.004 -9.367 1.00 0.00 C ATOM 4 O MET A 1 -3.383 31.709 -9.051 1.00 0.00 O ATOM 5 CB MET A 1 -5.222 33.347 -11.360 1.00 0.00 C ATOM 6 CG MET A 1 -5.604 34.694 -11.956 1.00 0.00 C ATOM 7 SD MET A 1 -7.101 35.387 -11.225 1.00 0.00 S ATOM 8 CE MET A 1 -7.239 36.925 -12.135 1.00 0.00 C ATOM 0 H1 MET A 1 -4.053 35.189 -9.200 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.030 33.846 -9.018 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.268 34.530 -10.553 1.00 0.00 H new ATOM 0 HA MET A 1 -5.727 33.788 -9.317 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.370 32.946 -11.910 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.049 32.651 -11.501 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.780 35.394 -11.817 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.749 34.582 -13.031 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.120 37.470 -11.796 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.349 37.530 -11.963 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.332 36.711 -13.200 1.00 0.00 H new ATOM 20 N ALA A 2 -5.544 31.148 -9.288 1.00 0.00 N ATOM 21 CA ALA A 2 -5.349 29.786 -8.815 1.00 0.00 C ATOM 22 C ALA A 2 -4.660 28.937 -9.877 1.00 0.00 C ATOM 23 O ALA A 2 -5.307 28.390 -10.767 1.00 0.00 O ATOM 24 CB ALA A 2 -6.676 29.165 -8.409 1.00 0.00 C ATOM 0 H ALA A 2 -6.505 31.373 -9.545 1.00 0.00 H new ATOM 0 HA ALA A 2 -4.704 29.820 -7.937 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.509 28.147 -8.058 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -7.124 29.755 -7.610 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -7.347 29.147 -9.268 1.00 0.00 H new ATOM 30 N ILE A 3 -3.339 28.856 -9.787 1.00 0.00 N ATOM 31 CA ILE A 3 -2.548 28.082 -10.737 1.00 0.00 C ATOM 32 C ILE A 3 -2.325 26.655 -10.244 1.00 0.00 C ATOM 33 O ILE A 3 -1.615 25.872 -10.878 1.00 0.00 O ATOM 34 CB ILE A 3 -1.179 28.743 -10.998 1.00 0.00 C ATOM 35 CG1 ILE A 3 -0.408 28.916 -9.682 1.00 0.00 C ATOM 36 CG2 ILE A 3 -1.364 30.082 -11.698 1.00 0.00 C ATOM 37 CD1 ILE A 3 0.980 29.493 -9.854 1.00 0.00 C ATOM 0 H ILE A 3 -2.790 29.319 -9.063 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.116 28.054 -11.667 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.595 28.094 -11.651 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.981 29.565 -9.020 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.329 27.947 -9.189 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.390 30.537 -11.876 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.872 29.928 -12.650 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.963 30.741 -11.070 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.459 29.584 -8.879 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.572 28.834 -10.489 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.910 30.477 -10.317 1.00 0.00 H new ATOM 49 N GLN A 4 -2.940 26.321 -9.119 1.00 0.00 N ATOM 50 CA GLN A 4 -2.771 25.007 -8.513 1.00 0.00 C ATOM 51 C GLN A 4 -3.744 24.000 -9.123 1.00 0.00 C ATOM 52 O GLN A 4 -4.601 24.362 -9.932 1.00 0.00 O ATOM 53 CB GLN A 4 -2.981 25.088 -7.000 1.00 0.00 C ATOM 54 CG GLN A 4 -2.057 26.074 -6.297 1.00 0.00 C ATOM 55 CD GLN A 4 -0.586 25.756 -6.501 1.00 0.00 C ATOM 56 OE1 GLN A 4 -0.203 24.599 -6.681 1.00 0.00 O ATOM 57 NE2 GLN A 4 0.252 26.782 -6.460 1.00 0.00 N ATOM 0 H GLN A 4 -3.563 26.944 -8.605 1.00 0.00 H new ATOM 0 HA GLN A 4 -1.754 24.669 -8.712 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -4.015 25.371 -6.802 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -2.833 24.098 -6.570 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.260 27.080 -6.665 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -2.279 26.074 -5.230 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -0.104 27.726 -6.309 1.00 0.00 H new ATOM 0 HE22 GLN A 4 1.253 26.628 -6.580 1.00 0.00 H new ATOM 66 N SER A 5 -3.607 22.739 -8.732 1.00 0.00 N ATOM 67 CA SER A 5 -4.461 21.679 -9.243 1.00 0.00 C ATOM 68 C SER A 5 -5.406 21.168 -8.152 1.00 0.00 C ATOM 69 O SER A 5 -5.698 21.882 -7.191 1.00 0.00 O ATOM 70 CB SER A 5 -3.590 20.544 -9.787 1.00 0.00 C ATOM 71 OG SER A 5 -2.649 20.118 -8.817 1.00 0.00 O ATOM 0 H SER A 5 -2.908 22.426 -8.059 1.00 0.00 H new ATOM 0 HA SER A 5 -5.076 22.074 -10.051 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.221 19.705 -10.080 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.068 20.879 -10.683 1.00 0.00 H new ATOM 0 HG SER A 5 -2.105 19.391 -9.186 1.00 0.00 H new ATOM 77 N LYS A 6 -5.880 19.936 -8.316 1.00 0.00 N ATOM 78 CA LYS A 6 -6.832 19.333 -7.389 1.00 0.00 C ATOM 79 C LYS A 6 -6.282 19.252 -5.963 1.00 0.00 C ATOM 80 O LYS A 6 -6.995 19.542 -5.003 1.00 0.00 O ATOM 81 CB LYS A 6 -7.240 17.943 -7.888 1.00 0.00 C ATOM 82 CG LYS A 6 -6.066 17.039 -8.243 1.00 0.00 C ATOM 83 CD LYS A 6 -6.536 15.738 -8.875 1.00 0.00 C ATOM 84 CE LYS A 6 -7.340 14.898 -7.896 1.00 0.00 C ATOM 85 NZ LYS A 6 -7.988 13.735 -8.555 1.00 0.00 N ATOM 0 H LYS A 6 -5.616 19.330 -9.093 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.710 19.977 -7.355 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.841 17.455 -7.120 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.876 18.056 -8.766 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.400 17.559 -8.931 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.489 16.821 -7.345 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.145 15.958 -9.752 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.673 15.168 -9.221 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.685 14.544 -7.100 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.103 15.520 -7.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.525 13.191 -7.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.634 14.072 -9.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.260 13.126 -8.980 1.00 0.00 H new ATOM 99 N TYR A 7 -5.019 18.868 -5.826 1.00 0.00 N ATOM 100 CA TYR A 7 -4.385 18.780 -4.515 1.00 0.00 C ATOM 101 C TYR A 7 -2.988 19.376 -4.566 1.00 0.00 C ATOM 102 O TYR A 7 -2.401 19.508 -5.638 1.00 0.00 O ATOM 103 CB TYR A 7 -4.291 17.329 -4.025 1.00 0.00 C ATOM 104 CG TYR A 7 -5.623 16.647 -3.806 1.00 0.00 C ATOM 105 CD1 TYR A 7 -6.470 17.046 -2.779 1.00 0.00 C ATOM 106 CD2 TYR A 7 -6.024 15.596 -4.616 1.00 0.00 C ATOM 107 CE1 TYR A 7 -7.684 16.414 -2.570 1.00 0.00 C ATOM 108 CE2 TYR A 7 -7.231 14.957 -4.412 1.00 0.00 C ATOM 109 CZ TYR A 7 -8.058 15.368 -3.388 1.00 0.00 C ATOM 110 OH TYR A 7 -9.258 14.723 -3.180 1.00 0.00 O ATOM 0 H TYR A 7 -4.413 18.612 -6.606 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.007 19.341 -3.817 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.718 16.752 -4.750 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.731 17.311 -3.090 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -6.177 17.861 -2.134 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.381 15.271 -5.421 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.335 16.738 -1.771 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -7.526 14.139 -5.052 1.00 0.00 H new ATOM 0 HH TYR A 7 -9.147 13.764 -3.348 1.00 0.00 H new ATOM 120 N SER A 8 -2.464 19.731 -3.407 1.00 0.00 N ATOM 121 CA SER A 8 -1.117 20.263 -3.312 1.00 0.00 C ATOM 122 C SER A 8 -0.108 19.119 -3.236 1.00 0.00 C ATOM 123 O SER A 8 -0.331 18.127 -2.535 1.00 0.00 O ATOM 124 CB SER A 8 -1.003 21.170 -2.082 1.00 0.00 C ATOM 125 OG SER A 8 0.282 21.761 -1.986 1.00 0.00 O ATOM 0 H SER A 8 -2.953 19.660 -2.515 1.00 0.00 H new ATOM 0 HA SER A 8 -0.899 20.855 -4.201 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.761 21.952 -2.134 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.205 20.590 -1.182 1.00 0.00 H new ATOM 0 HG SER A 8 0.320 22.334 -1.192 1.00 0.00 H new ATOM 131 N ASN A 9 0.997 19.262 -3.957 1.00 0.00 N ATOM 132 CA ASN A 9 2.026 18.227 -3.999 1.00 0.00 C ATOM 133 C ASN A 9 2.620 18.003 -2.615 1.00 0.00 C ATOM 134 O ASN A 9 2.686 16.871 -2.134 1.00 0.00 O ATOM 135 CB ASN A 9 3.140 18.600 -4.985 1.00 0.00 C ATOM 136 CG ASN A 9 2.673 18.614 -6.431 1.00 0.00 C ATOM 137 OD1 ASN A 9 2.206 19.636 -6.937 1.00 0.00 O ATOM 138 ND2 ASN A 9 2.809 17.486 -7.114 1.00 0.00 N ATOM 0 H ASN A 9 1.205 20.085 -4.522 1.00 0.00 H new ATOM 0 HA ASN A 9 1.554 17.304 -4.337 1.00 0.00 H new ATOM 0 HB2 ASN A 9 3.532 19.583 -4.726 1.00 0.00 H new ATOM 0 HB3 ASN A 9 3.962 17.891 -4.881 1.00 0.00 H new ATOM 0 HD21 ASN A 9 2.523 17.444 -8.092 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.200 16.660 -6.661 1.00 0.00 H new ATOM 145 N THR A 10 3.027 19.090 -1.966 1.00 0.00 N ATOM 146 CA THR A 10 3.623 19.013 -0.641 1.00 0.00 C ATOM 147 C THR A 10 2.595 18.555 0.398 1.00 0.00 C ATOM 148 O THR A 10 2.959 18.032 1.451 1.00 0.00 O ATOM 149 CB THR A 10 4.236 20.367 -0.212 1.00 0.00 C ATOM 150 OG1 THR A 10 4.978 20.213 1.007 1.00 0.00 O ATOM 151 CG2 THR A 10 3.159 21.425 -0.019 1.00 0.00 C ATOM 0 H THR A 10 2.954 20.036 -2.340 1.00 0.00 H new ATOM 0 HA THR A 10 4.425 18.276 -0.694 1.00 0.00 H new ATOM 0 HB THR A 10 4.905 20.694 -1.008 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.569 19.508 1.552 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.622 22.365 0.282 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.619 21.570 -0.955 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.463 21.099 0.754 1.00 0.00 H new ATOM 159 N GLN A 11 1.313 18.738 0.095 1.00 0.00 N ATOM 160 CA GLN A 11 0.254 18.297 0.990 1.00 0.00 C ATOM 161 C GLN A 11 0.258 16.778 1.076 1.00 0.00 C ATOM 162 O GLN A 11 0.399 16.205 2.155 1.00 0.00 O ATOM 163 CB GLN A 11 -1.110 18.784 0.504 1.00 0.00 C ATOM 164 CG GLN A 11 -2.244 18.479 1.469 1.00 0.00 C ATOM 165 CD GLN A 11 -3.608 18.725 0.862 1.00 0.00 C ATOM 166 OE1 GLN A 11 -3.767 19.568 -0.023 1.00 0.00 O ATOM 167 NE2 GLN A 11 -4.607 17.999 1.339 1.00 0.00 N ATOM 0 H GLN A 11 0.986 19.187 -0.760 1.00 0.00 H new ATOM 0 HA GLN A 11 0.437 18.721 1.977 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.064 19.860 0.339 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.329 18.323 -0.459 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.175 17.439 1.788 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.132 19.094 2.362 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.433 17.311 2.072 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.551 18.127 0.973 1.00 0.00 H new ATOM 176 N VAL A 12 0.129 16.134 -0.080 1.00 0.00 N ATOM 177 CA VAL A 12 0.170 14.680 -0.159 1.00 0.00 C ATOM 178 C VAL A 12 1.508 14.171 0.372 1.00 0.00 C ATOM 179 O VAL A 12 1.570 13.159 1.069 1.00 0.00 O ATOM 180 CB VAL A 12 -0.042 14.189 -1.610 1.00 0.00 C ATOM 181 CG1 VAL A 12 -0.076 12.669 -1.673 1.00 0.00 C ATOM 182 CG2 VAL A 12 -1.319 14.778 -2.199 1.00 0.00 C ATOM 0 H VAL A 12 -0.005 16.600 -0.978 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.641 14.284 0.452 1.00 0.00 H new ATOM 0 HB VAL A 12 0.803 14.534 -2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.226 12.351 -2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.868 12.268 -1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.894 12.297 -1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.448 14.419 -3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.173 14.471 -1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.250 15.866 -2.203 1.00 0.00 H new ATOM 192 N GLU A 13 2.569 14.906 0.050 1.00 0.00 N ATOM 193 CA GLU A 13 3.905 14.616 0.556 1.00 0.00 C ATOM 194 C GLU A 13 3.904 14.531 2.081 1.00 0.00 C ATOM 195 O GLU A 13 4.416 13.574 2.659 1.00 0.00 O ATOM 196 CB GLU A 13 4.876 15.710 0.113 1.00 0.00 C ATOM 197 CG GLU A 13 6.295 15.510 0.614 1.00 0.00 C ATOM 198 CD GLU A 13 7.073 16.808 0.668 1.00 0.00 C ATOM 199 OE1 GLU A 13 7.359 17.384 -0.400 1.00 0.00 O ATOM 200 OE2 GLU A 13 7.392 17.264 1.789 1.00 0.00 O ATOM 0 H GLU A 13 2.526 15.717 -0.567 1.00 0.00 H new ATOM 0 HA GLU A 13 4.220 13.654 0.151 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.888 15.753 -0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.509 16.674 0.466 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.268 15.064 1.608 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.812 14.806 -0.038 1.00 0.00 H new ATOM 207 N SER A 14 3.312 15.538 2.720 1.00 0.00 N ATOM 208 CA SER A 14 3.279 15.615 4.177 1.00 0.00 C ATOM 209 C SER A 14 2.531 14.423 4.772 1.00 0.00 C ATOM 210 O SER A 14 2.935 13.882 5.802 1.00 0.00 O ATOM 211 CB SER A 14 2.629 16.928 4.618 1.00 0.00 C ATOM 212 OG SER A 14 3.326 18.046 4.084 1.00 0.00 O ATOM 0 H SER A 14 2.847 16.314 2.249 1.00 0.00 H new ATOM 0 HA SER A 14 4.304 15.586 4.546 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.590 16.952 4.289 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.621 16.986 5.706 1.00 0.00 H new ATOM 0 HG SER A 14 2.938 18.290 3.218 1.00 0.00 H new ATOM 218 N LEU A 15 1.452 14.011 4.115 1.00 0.00 N ATOM 219 CA LEU A 15 0.696 12.848 4.560 1.00 0.00 C ATOM 220 C LEU A 15 1.567 11.601 4.505 1.00 0.00 C ATOM 221 O LEU A 15 1.771 10.939 5.520 1.00 0.00 O ATOM 222 CB LEU A 15 -0.563 12.643 3.710 1.00 0.00 C ATOM 223 CG LEU A 15 -1.812 13.403 4.176 1.00 0.00 C ATOM 224 CD1 LEU A 15 -1.608 14.906 4.079 1.00 0.00 C ATOM 225 CD2 LEU A 15 -3.023 12.975 3.360 1.00 0.00 C ATOM 0 H LEU A 15 1.084 14.462 3.278 1.00 0.00 H new ATOM 0 HA LEU A 15 0.386 13.026 5.590 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.340 12.941 2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.795 11.578 3.689 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.988 13.157 5.223 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.509 15.418 4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.767 15.200 4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.401 15.179 3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.903 13.521 3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.847 13.191 2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.188 11.905 3.488 1.00 0.00 H new ATOM 237 N ILE A 16 2.103 11.313 3.322 1.00 0.00 N ATOM 238 CA ILE A 16 2.941 10.135 3.116 1.00 0.00 C ATOM 239 C ILE A 16 4.122 10.135 4.082 1.00 0.00 C ATOM 240 O ILE A 16 4.458 9.108 4.672 1.00 0.00 O ATOM 241 CB ILE A 16 3.478 10.079 1.668 1.00 0.00 C ATOM 242 CG1 ILE A 16 2.319 10.130 0.670 1.00 0.00 C ATOM 243 CG2 ILE A 16 4.310 8.822 1.454 1.00 0.00 C ATOM 244 CD1 ILE A 16 2.761 10.245 -0.773 1.00 0.00 C ATOM 0 H ILE A 16 1.971 11.883 2.487 1.00 0.00 H new ATOM 0 HA ILE A 16 2.319 9.259 3.301 1.00 0.00 H new ATOM 0 HB ILE A 16 4.118 10.946 1.503 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.713 9.231 0.784 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.679 10.978 0.913 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.679 8.800 0.429 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.154 8.822 2.144 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.693 7.942 1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.885 10.276 -1.421 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.341 11.158 -0.904 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.376 9.384 -1.035 1.00 0.00 H new ATOM 256 N ALA A 17 4.732 11.302 4.244 1.00 0.00 N ATOM 257 CA ALA A 17 5.899 11.453 5.100 1.00 0.00 C ATOM 258 C ALA A 17 5.602 11.034 6.536 1.00 0.00 C ATOM 259 O ALA A 17 6.370 10.284 7.133 1.00 0.00 O ATOM 260 CB ALA A 17 6.397 12.887 5.067 1.00 0.00 C ATOM 0 H ALA A 17 4.434 12.165 3.789 1.00 0.00 H new ATOM 0 HA ALA A 17 6.677 10.794 4.714 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.270 12.984 5.712 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.669 13.154 4.046 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.610 13.554 5.419 1.00 0.00 H new ATOM 266 N GLU A 18 4.483 11.500 7.081 1.00 0.00 N ATOM 267 CA GLU A 18 4.152 11.215 8.472 1.00 0.00 C ATOM 268 C GLU A 18 3.729 9.758 8.650 1.00 0.00 C ATOM 269 O GLU A 18 3.970 9.162 9.698 1.00 0.00 O ATOM 270 CB GLU A 18 3.069 12.166 8.987 1.00 0.00 C ATOM 271 CG GLU A 18 2.699 11.921 10.442 1.00 0.00 C ATOM 272 CD GLU A 18 1.980 13.092 11.072 1.00 0.00 C ATOM 273 OE1 GLU A 18 0.913 13.487 10.562 1.00 0.00 O ATOM 274 OE2 GLU A 18 2.485 13.626 12.082 1.00 0.00 O ATOM 0 H GLU A 18 3.797 12.071 6.587 1.00 0.00 H new ATOM 0 HA GLU A 18 5.051 11.378 9.067 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.414 13.194 8.875 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.177 12.060 8.369 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.067 11.036 10.507 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.604 11.708 11.011 1.00 0.00 H new ATOM 281 N ILE A 19 3.117 9.179 7.622 1.00 0.00 N ATOM 282 CA ILE A 19 2.775 7.761 7.649 1.00 0.00 C ATOM 283 C ILE A 19 4.058 6.935 7.732 1.00 0.00 C ATOM 284 O ILE A 19 4.144 5.941 8.465 1.00 0.00 O ATOM 285 CB ILE A 19 1.959 7.347 6.402 1.00 0.00 C ATOM 286 CG1 ILE A 19 0.732 8.248 6.247 1.00 0.00 C ATOM 287 CG2 ILE A 19 1.525 5.894 6.512 1.00 0.00 C ATOM 288 CD1 ILE A 19 -0.038 8.012 4.967 1.00 0.00 C ATOM 0 H ILE A 19 2.849 9.665 6.766 1.00 0.00 H new ATOM 0 HA ILE A 19 2.154 7.575 8.525 1.00 0.00 H new ATOM 0 HB ILE A 19 2.593 7.459 5.522 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.066 8.089 7.095 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.051 9.290 6.282 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.952 5.617 5.627 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.406 5.256 6.588 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.906 5.765 7.400 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.893 8.686 4.927 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.612 8.199 4.112 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.388 6.980 4.938 1.00 0.00 H new ATOM 300 N LEU A 20 5.071 7.382 6.997 1.00 0.00 N ATOM 301 CA LEU A 20 6.398 6.797 7.086 1.00 0.00 C ATOM 302 C LEU A 20 6.957 6.981 8.493 1.00 0.00 C ATOM 303 O LEU A 20 7.580 6.078 9.043 1.00 0.00 O ATOM 304 CB LEU A 20 7.335 7.438 6.060 1.00 0.00 C ATOM 305 CG LEU A 20 6.970 7.188 4.595 1.00 0.00 C ATOM 306 CD1 LEU A 20 7.803 8.075 3.683 1.00 0.00 C ATOM 307 CD2 LEU A 20 7.171 5.722 4.237 1.00 0.00 C ATOM 0 H LEU A 20 4.994 8.151 6.331 1.00 0.00 H new ATOM 0 HA LEU A 20 6.324 5.731 6.870 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.356 8.514 6.234 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.345 7.068 6.234 1.00 0.00 H new ATOM 0 HG LEU A 20 5.918 7.436 4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.532 7.886 2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.615 9.122 3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.861 7.855 3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.906 5.563 3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.215 5.449 4.393 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.536 5.102 4.870 1.00 0.00 H new ATOM 319 N VAL A 21 6.713 8.152 9.074 1.00 0.00 N ATOM 320 CA VAL A 21 7.150 8.446 10.437 1.00 0.00 C ATOM 321 C VAL A 21 6.458 7.520 11.444 1.00 0.00 C ATOM 322 O VAL A 21 6.999 7.238 12.507 1.00 0.00 O ATOM 323 CB VAL A 21 6.894 9.928 10.814 1.00 0.00 C ATOM 324 CG1 VAL A 21 7.304 10.211 12.252 1.00 0.00 C ATOM 325 CG2 VAL A 21 7.639 10.856 9.867 1.00 0.00 C ATOM 0 H VAL A 21 6.213 8.917 8.621 1.00 0.00 H new ATOM 0 HA VAL A 21 8.225 8.269 10.475 1.00 0.00 H new ATOM 0 HB VAL A 21 5.824 10.113 10.722 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.112 11.258 12.486 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.728 9.577 12.926 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.366 10.000 12.376 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.447 11.892 10.147 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.709 10.656 9.928 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.296 10.687 8.846 1.00 0.00 H new ATOM 335 N VAL A 22 5.265 7.044 11.104 1.00 0.00 N ATOM 336 CA VAL A 22 4.596 6.030 11.912 1.00 0.00 C ATOM 337 C VAL A 22 5.441 4.763 11.949 1.00 0.00 C ATOM 338 O VAL A 22 5.776 4.250 13.020 1.00 0.00 O ATOM 339 CB VAL A 22 3.198 5.681 11.361 1.00 0.00 C ATOM 340 CG1 VAL A 22 2.553 4.577 12.182 1.00 0.00 C ATOM 341 CG2 VAL A 22 2.313 6.913 11.336 1.00 0.00 C ATOM 0 H VAL A 22 4.744 7.342 10.279 1.00 0.00 H new ATOM 0 HA VAL A 22 4.475 6.440 12.915 1.00 0.00 H new ATOM 0 HB VAL A 22 3.316 5.320 10.339 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.568 4.348 11.774 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.177 3.684 12.145 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.450 4.905 13.216 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.331 6.648 10.944 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.207 7.305 12.347 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.765 7.673 10.698 1.00 0.00 H new ATOM 351 N LEU A 23 5.784 4.272 10.762 1.00 0.00 N ATOM 352 CA LEU A 23 6.672 3.117 10.636 1.00 0.00 C ATOM 353 C LEU A 23 8.006 3.366 11.348 1.00 0.00 C ATOM 354 O LEU A 23 8.491 2.514 12.097 1.00 0.00 O ATOM 355 CB LEU A 23 6.920 2.804 9.160 1.00 0.00 C ATOM 356 CG LEU A 23 5.665 2.492 8.344 1.00 0.00 C ATOM 357 CD1 LEU A 23 6.019 2.298 6.877 1.00 0.00 C ATOM 358 CD2 LEU A 23 4.968 1.254 8.891 1.00 0.00 C ATOM 0 H LEU A 23 5.462 4.654 9.873 1.00 0.00 H new ATOM 0 HA LEU A 23 6.186 2.264 11.109 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.429 3.654 8.705 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.598 1.953 9.094 1.00 0.00 H new ATOM 0 HG LEU A 23 4.982 3.337 8.426 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.114 2.077 6.311 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.476 3.209 6.490 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.720 1.470 6.778 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.077 1.046 8.299 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.646 0.402 8.838 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.682 1.426 9.929 1.00 0.00 H new ATOM 370 N GLU A 24 8.578 4.545 11.117 1.00 0.00 N ATOM 371 CA GLU A 24 9.853 4.933 11.724 1.00 0.00 C ATOM 372 C GLU A 24 9.759 4.976 13.247 1.00 0.00 C ATOM 373 O GLU A 24 10.678 4.542 13.945 1.00 0.00 O ATOM 374 CB GLU A 24 10.288 6.307 11.207 1.00 0.00 C ATOM 375 CG GLU A 24 10.526 6.358 9.709 1.00 0.00 C ATOM 376 CD GLU A 24 11.705 5.517 9.271 1.00 0.00 C ATOM 377 OE1 GLU A 24 12.839 6.047 9.248 1.00 0.00 O ATOM 378 OE2 GLU A 24 11.509 4.337 8.930 1.00 0.00 O ATOM 0 H GLU A 24 8.175 5.257 10.507 1.00 0.00 H new ATOM 0 HA GLU A 24 10.591 4.181 11.444 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.525 7.040 11.468 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.203 6.603 11.720 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.630 6.015 9.192 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.692 7.392 9.408 1.00 0.00 H new ATOM 385 N LYS A 25 8.641 5.494 13.751 1.00 0.00 N ATOM 386 CA LYS A 25 8.432 5.661 15.188 1.00 0.00 C ATOM 387 C LYS A 25 8.615 4.337 15.922 1.00 0.00 C ATOM 388 O LYS A 25 9.285 4.272 16.955 1.00 0.00 O ATOM 389 CB LYS A 25 7.027 6.220 15.467 1.00 0.00 C ATOM 390 CG LYS A 25 6.775 6.523 16.938 1.00 0.00 C ATOM 391 CD LYS A 25 5.314 6.857 17.237 1.00 0.00 C ATOM 392 CE LYS A 25 4.876 8.198 16.654 1.00 0.00 C ATOM 393 NZ LYS A 25 4.479 8.100 15.222 1.00 0.00 N ATOM 0 H LYS A 25 7.858 5.809 13.178 1.00 0.00 H new ATOM 0 HA LYS A 25 9.176 6.369 15.554 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.886 7.132 14.887 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.284 5.503 15.119 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.075 5.663 17.537 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.403 7.360 17.244 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.678 6.068 16.836 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.164 6.870 18.317 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.038 8.585 17.233 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.690 8.916 16.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.674 8.733 15.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.280 8.378 14.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.205 7.121 15.004 1.00 0.00 H new ATOM 407 N HIS A 26 8.034 3.281 15.374 1.00 0.00 N ATOM 408 CA HIS A 26 8.108 1.964 15.995 1.00 0.00 C ATOM 409 C HIS A 26 9.343 1.213 15.518 1.00 0.00 C ATOM 410 O HIS A 26 9.707 0.185 16.089 1.00 0.00 O ATOM 411 CB HIS A 26 6.852 1.142 15.688 1.00 0.00 C ATOM 412 CG HIS A 26 5.601 1.705 16.290 1.00 0.00 C ATOM 413 ND1 HIS A 26 5.074 1.263 17.482 1.00 0.00 N ATOM 414 CD2 HIS A 26 4.772 2.681 15.857 1.00 0.00 C ATOM 415 CE1 HIS A 26 3.977 1.943 17.756 1.00 0.00 C ATOM 416 NE2 HIS A 26 3.772 2.812 16.784 1.00 0.00 N ATOM 0 H HIS A 26 7.506 3.308 14.502 1.00 0.00 H new ATOM 0 HA HIS A 26 8.176 2.109 17.073 1.00 0.00 H new ATOM 0 HB2 HIS A 26 6.727 1.076 14.607 1.00 0.00 H new ATOM 0 HB3 HIS A 26 6.995 0.126 16.055 1.00 0.00 H new ATOM 0 HD2 HIS A 26 4.879 3.253 14.947 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.353 1.811 18.627 1.00 0.00 H new ATOM 0 HE2 HIS A 26 2.997 3.473 16.732 1.00 0.00 H new ATOM 425 N LYS A 27 9.988 1.751 14.485 1.00 0.00 N ATOM 426 CA LYS A 27 11.132 1.108 13.846 1.00 0.00 C ATOM 427 C LYS A 27 10.757 -0.307 13.413 1.00 0.00 C ATOM 428 O LYS A 27 11.193 -1.299 14.004 1.00 0.00 O ATOM 429 CB LYS A 27 12.347 1.100 14.786 1.00 0.00 C ATOM 430 CG LYS A 27 13.639 0.638 14.124 1.00 0.00 C ATOM 431 CD LYS A 27 14.841 0.742 15.060 1.00 0.00 C ATOM 432 CE LYS A 27 15.268 2.188 15.300 1.00 0.00 C ATOM 433 NZ LYS A 27 14.342 2.923 16.208 1.00 0.00 N ATOM 0 H LYS A 27 9.731 2.646 14.068 1.00 0.00 H new ATOM 0 HA LYS A 27 11.408 1.677 12.959 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.493 2.105 15.183 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.133 0.450 15.634 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.526 -0.395 13.795 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.823 1.238 13.233 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.597 0.275 16.014 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.677 0.185 14.637 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.271 2.199 15.726 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.321 2.709 14.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.895 3.488 16.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.733 3.553 15.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.751 2.242 16.727 1.00 0.00 H new ATOM 447 N ALA A 28 9.910 -0.387 12.400 1.00 0.00 N ATOM 448 CA ALA A 28 9.397 -1.662 11.933 1.00 0.00 C ATOM 449 C ALA A 28 10.281 -2.236 10.835 1.00 0.00 C ATOM 450 O ALA A 28 10.660 -1.532 9.900 1.00 0.00 O ATOM 451 CB ALA A 28 7.969 -1.500 11.434 1.00 0.00 C ATOM 0 H ALA A 28 9.562 0.421 11.884 1.00 0.00 H new ATOM 0 HA ALA A 28 9.402 -2.361 12.770 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.594 -2.462 11.086 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.339 -1.137 12.246 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.950 -0.784 10.612 1.00 0.00 H new ATOM 457 N PRO A 29 10.639 -3.525 10.947 1.00 0.00 N ATOM 458 CA PRO A 29 11.410 -4.222 9.916 1.00 0.00 C ATOM 459 C PRO A 29 10.646 -4.303 8.595 1.00 0.00 C ATOM 460 O PRO A 29 9.454 -3.984 8.537 1.00 0.00 O ATOM 461 CB PRO A 29 11.625 -5.625 10.501 1.00 0.00 C ATOM 462 CG PRO A 29 11.370 -5.479 11.963 1.00 0.00 C ATOM 463 CD PRO A 29 10.340 -4.396 12.093 1.00 0.00 C ATOM 0 HA PRO A 29 12.342 -3.706 9.684 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.944 -6.348 10.052 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.638 -5.981 10.311 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.010 -6.414 12.392 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.284 -5.215 12.495 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.326 -4.794 12.045 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.430 -3.864 13.040 1.00 0.00 H new ATOM 471 N THR A 30 11.334 -4.735 7.547 1.00 0.00 N ATOM 472 CA THR A 30 10.756 -4.802 6.212 1.00 0.00 C ATOM 473 C THR A 30 9.456 -5.613 6.202 1.00 0.00 C ATOM 474 O THR A 30 8.445 -5.177 5.647 1.00 0.00 O ATOM 475 CB THR A 30 11.761 -5.425 5.230 1.00 0.00 C ATOM 476 OG1 THR A 30 13.077 -4.927 5.513 1.00 0.00 O ATOM 477 CG2 THR A 30 11.393 -5.097 3.790 1.00 0.00 C ATOM 0 H THR A 30 12.304 -5.047 7.598 1.00 0.00 H new ATOM 0 HA THR A 30 10.524 -3.783 5.901 1.00 0.00 H new ATOM 0 HB THR A 30 11.737 -6.508 5.353 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.719 -5.325 4.888 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.120 -5.550 3.116 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.400 -5.490 3.570 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.394 -4.016 3.651 1.00 0.00 H new ATOM 485 N ASP A 31 9.488 -6.778 6.840 1.00 0.00 N ATOM 486 CA ASP A 31 8.328 -7.665 6.892 1.00 0.00 C ATOM 487 C ASP A 31 7.150 -7.003 7.597 1.00 0.00 C ATOM 488 O ASP A 31 6.042 -6.965 7.062 1.00 0.00 O ATOM 489 CB ASP A 31 8.680 -8.973 7.603 1.00 0.00 C ATOM 490 CG ASP A 31 9.686 -9.801 6.833 1.00 0.00 C ATOM 491 OD1 ASP A 31 10.900 -9.529 6.946 1.00 0.00 O ATOM 492 OD2 ASP A 31 9.272 -10.734 6.108 1.00 0.00 O ATOM 0 H ASP A 31 10.309 -7.133 7.331 1.00 0.00 H new ATOM 0 HA ASP A 31 8.038 -7.880 5.863 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.080 -8.749 8.592 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.772 -9.557 7.752 1.00 0.00 H new ATOM 497 N LEU A 32 7.396 -6.476 8.794 1.00 0.00 N ATOM 498 CA LEU A 32 6.343 -5.855 9.589 1.00 0.00 C ATOM 499 C LEU A 32 5.751 -4.653 8.857 1.00 0.00 C ATOM 500 O LEU A 32 4.539 -4.429 8.889 1.00 0.00 O ATOM 501 CB LEU A 32 6.887 -5.431 10.959 1.00 0.00 C ATOM 502 CG LEU A 32 5.834 -4.978 11.979 1.00 0.00 C ATOM 503 CD1 LEU A 32 4.833 -6.090 12.239 1.00 0.00 C ATOM 504 CD2 LEU A 32 6.505 -4.549 13.274 1.00 0.00 C ATOM 0 H LEU A 32 8.316 -6.467 9.234 1.00 0.00 H new ATOM 0 HA LEU A 32 5.551 -6.588 9.740 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.442 -6.267 11.384 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.598 -4.618 10.812 1.00 0.00 H new ATOM 0 HG LEU A 32 5.297 -4.123 11.568 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.094 -5.752 12.965 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.333 -6.354 11.307 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.353 -6.963 12.632 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.746 -4.230 13.989 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.065 -5.387 13.689 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.186 -3.722 13.074 1.00 0.00 H new ATOM 516 N SER A 33 6.608 -3.895 8.180 1.00 0.00 N ATOM 517 CA SER A 33 6.167 -2.728 7.426 1.00 0.00 C ATOM 518 C SER A 33 5.255 -3.137 6.270 1.00 0.00 C ATOM 519 O SER A 33 4.133 -2.648 6.159 1.00 0.00 O ATOM 520 CB SER A 33 7.375 -1.949 6.897 1.00 0.00 C ATOM 521 OG SER A 33 8.196 -1.501 7.961 1.00 0.00 O ATOM 0 H SER A 33 7.612 -4.069 8.139 1.00 0.00 H new ATOM 0 HA SER A 33 5.599 -2.085 8.098 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.956 -2.583 6.227 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.034 -1.095 6.312 1.00 0.00 H new ATOM 0 HG SER A 33 8.713 -2.254 8.314 1.00 0.00 H new ATOM 527 N LEU A 34 5.728 -4.055 5.431 1.00 0.00 N ATOM 528 CA LEU A 34 4.958 -4.502 4.272 1.00 0.00 C ATOM 529 C LEU A 34 3.632 -5.123 4.701 1.00 0.00 C ATOM 530 O LEU A 34 2.600 -4.905 4.066 1.00 0.00 O ATOM 531 CB LEU A 34 5.759 -5.517 3.454 1.00 0.00 C ATOM 532 CG LEU A 34 7.044 -4.981 2.818 1.00 0.00 C ATOM 533 CD1 LEU A 34 7.801 -6.099 2.121 1.00 0.00 C ATOM 534 CD2 LEU A 34 6.730 -3.862 1.836 1.00 0.00 C ATOM 0 H LEU A 34 6.639 -4.503 5.531 1.00 0.00 H new ATOM 0 HA LEU A 34 4.751 -3.628 3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.016 -6.356 4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.118 -5.908 2.664 1.00 0.00 H new ATOM 0 HG LEU A 34 7.674 -4.578 3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.711 -5.699 1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.061 -6.870 2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.174 -6.531 1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.656 -3.495 1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.078 -4.241 1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.230 -3.048 2.360 1.00 0.00 H new ATOM 546 N MET A 35 3.665 -5.890 5.787 1.00 0.00 N ATOM 547 CA MET A 35 2.467 -6.547 6.304 1.00 0.00 C ATOM 548 C MET A 35 1.429 -5.518 6.744 1.00 0.00 C ATOM 549 O MET A 35 0.242 -5.640 6.423 1.00 0.00 O ATOM 550 CB MET A 35 2.826 -7.459 7.478 1.00 0.00 C ATOM 551 CG MET A 35 1.642 -8.235 8.035 1.00 0.00 C ATOM 552 SD MET A 35 2.104 -9.319 9.400 1.00 0.00 S ATOM 553 CE MET A 35 3.304 -10.379 8.594 1.00 0.00 C ATOM 0 H MET A 35 4.510 -6.073 6.328 1.00 0.00 H new ATOM 0 HA MET A 35 2.039 -7.149 5.503 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.593 -8.164 7.157 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.261 -6.856 8.275 1.00 0.00 H new ATOM 0 HG2 MET A 35 0.880 -7.534 8.375 1.00 0.00 H new ATOM 0 HG3 MET A 35 1.195 -8.830 7.239 1.00 0.00 H new ATOM 0 HE1 MET A 35 3.407 -11.306 9.157 1.00 0.00 H new ATOM 0 HE2 MET A 35 2.968 -10.604 7.582 1.00 0.00 H new ATOM 0 HE3 MET A 35 4.268 -9.871 8.552 1.00 0.00 H new ATOM 563 N ALA A 36 1.881 -4.506 7.475 1.00 0.00 N ATOM 564 CA ALA A 36 0.998 -3.446 7.940 1.00 0.00 C ATOM 565 C ALA A 36 0.441 -2.655 6.764 1.00 0.00 C ATOM 566 O ALA A 36 -0.770 -2.442 6.666 1.00 0.00 O ATOM 567 CB ALA A 36 1.736 -2.526 8.899 1.00 0.00 C ATOM 0 H ALA A 36 2.855 -4.398 7.758 1.00 0.00 H new ATOM 0 HA ALA A 36 0.162 -3.902 8.470 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.063 -1.738 9.238 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.085 -3.100 9.758 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.590 -2.079 8.390 1.00 0.00 H new ATOM 573 N LEU A 37 1.330 -2.241 5.868 1.00 0.00 N ATOM 574 CA LEU A 37 0.948 -1.457 4.697 1.00 0.00 C ATOM 575 C LEU A 37 -0.059 -2.202 3.830 1.00 0.00 C ATOM 576 O LEU A 37 -1.058 -1.626 3.401 1.00 0.00 O ATOM 577 CB LEU A 37 2.186 -1.096 3.869 1.00 0.00 C ATOM 578 CG LEU A 37 2.870 0.227 4.234 1.00 0.00 C ATOM 579 CD1 LEU A 37 1.960 1.401 3.925 1.00 0.00 C ATOM 580 CD2 LEU A 37 3.277 0.252 5.697 1.00 0.00 C ATOM 0 H LEU A 37 2.329 -2.437 5.931 1.00 0.00 H new ATOM 0 HA LEU A 37 0.475 -0.542 5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.915 -1.900 3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.898 -1.057 2.818 1.00 0.00 H new ATOM 0 HG LEU A 37 3.773 0.311 3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.463 2.331 4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.723 1.408 2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.039 1.309 4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.759 1.203 5.924 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.392 0.135 6.323 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.972 -0.564 5.895 1.00 0.00 H new ATOM 592 N GLY A 38 0.201 -3.483 3.590 1.00 0.00 N ATOM 593 CA GLY A 38 -0.676 -4.284 2.756 1.00 0.00 C ATOM 594 C GLY A 38 -2.104 -4.311 3.265 1.00 0.00 C ATOM 595 O GLY A 38 -3.045 -4.093 2.503 1.00 0.00 O ATOM 0 H GLY A 38 1.009 -3.983 3.961 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.664 -3.890 1.740 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.293 -5.303 2.707 1.00 0.00 H new ATOM 599 N ASN A 39 -2.263 -4.553 4.562 1.00 0.00 N ATOM 600 CA ASN A 39 -3.590 -4.616 5.169 1.00 0.00 C ATOM 601 C ASN A 39 -4.280 -3.259 5.121 1.00 0.00 C ATOM 602 O ASN A 39 -5.499 -3.181 4.993 1.00 0.00 O ATOM 603 CB ASN A 39 -3.513 -5.109 6.616 1.00 0.00 C ATOM 604 CG ASN A 39 -3.360 -6.618 6.725 1.00 0.00 C ATOM 605 OD1 ASN A 39 -4.350 -7.351 6.766 1.00 0.00 O ATOM 606 ND2 ASN A 39 -2.125 -7.097 6.784 1.00 0.00 N ATOM 0 H ASN A 39 -1.493 -4.708 5.212 1.00 0.00 H new ATOM 0 HA ASN A 39 -4.178 -5.328 4.590 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.671 -4.628 7.113 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.414 -4.802 7.147 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.971 -8.102 6.866 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.329 -6.460 6.747 1.00 0.00 H new ATOM 613 N CYS A 40 -3.503 -2.188 5.221 1.00 0.00 N ATOM 614 CA CYS A 40 -4.058 -0.841 5.164 1.00 0.00 C ATOM 615 C CYS A 40 -4.641 -0.554 3.782 1.00 0.00 C ATOM 616 O CYS A 40 -5.614 0.184 3.659 1.00 0.00 O ATOM 617 CB CYS A 40 -2.993 0.201 5.511 1.00 0.00 C ATOM 618 SG CYS A 40 -2.294 0.022 7.167 1.00 0.00 S ATOM 0 H CYS A 40 -2.491 -2.225 5.341 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.859 -0.778 5.900 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.187 0.138 4.780 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.430 1.195 5.419 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.359 -0.881 7.148 1.00 0.00 H new ATOM 624 N VAL A 41 -4.062 -1.150 2.749 1.00 0.00 N ATOM 625 CA VAL A 41 -4.562 -0.958 1.394 1.00 0.00 C ATOM 626 C VAL A 41 -5.894 -1.686 1.204 1.00 0.00 C ATOM 627 O VAL A 41 -6.887 -1.084 0.785 1.00 0.00 O ATOM 628 CB VAL A 41 -3.547 -1.439 0.333 1.00 0.00 C ATOM 629 CG1 VAL A 41 -4.062 -1.168 -1.073 1.00 0.00 C ATOM 630 CG2 VAL A 41 -2.197 -0.771 0.541 1.00 0.00 C ATOM 0 H VAL A 41 -3.252 -1.766 2.821 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.713 0.113 1.255 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.422 -2.516 0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.330 -1.515 -1.802 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.003 -1.697 -1.224 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.222 -0.098 -1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.496 -1.123 -0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.309 0.310 0.457 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.816 -1.020 1.531 1.00 0.00 H new ATOM 640 N THR A 42 -5.924 -2.967 1.551 1.00 0.00 N ATOM 641 CA THR A 42 -7.128 -3.775 1.381 1.00 0.00 C ATOM 642 C THR A 42 -8.251 -3.312 2.304 1.00 0.00 C ATOM 643 O THR A 42 -9.408 -3.228 1.893 1.00 0.00 O ATOM 644 CB THR A 42 -6.839 -5.263 1.638 1.00 0.00 C ATOM 645 OG1 THR A 42 -5.944 -5.399 2.750 1.00 0.00 O ATOM 646 CG2 THR A 42 -6.243 -5.924 0.406 1.00 0.00 C ATOM 0 H THR A 42 -5.131 -3.469 1.951 1.00 0.00 H new ATOM 0 HA THR A 42 -7.450 -3.646 0.348 1.00 0.00 H new ATOM 0 HB THR A 42 -7.781 -5.761 1.868 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.764 -6.349 2.911 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.048 -6.976 0.616 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.944 -5.843 -0.425 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.309 -5.428 0.143 1.00 0.00 H new ATOM 654 N HIS A 43 -7.899 -2.976 3.545 1.00 0.00 N ATOM 655 CA HIS A 43 -8.888 -2.557 4.537 1.00 0.00 C ATOM 656 C HIS A 43 -9.626 -1.295 4.079 1.00 0.00 C ATOM 657 O HIS A 43 -10.705 -0.992 4.572 1.00 0.00 O ATOM 658 CB HIS A 43 -8.222 -2.348 5.916 1.00 0.00 C ATOM 659 CG HIS A 43 -8.060 -0.915 6.346 1.00 0.00 C ATOM 660 ND1 HIS A 43 -7.198 -0.028 5.744 1.00 0.00 N ATOM 661 CD2 HIS A 43 -8.672 -0.223 7.327 1.00 0.00 C ATOM 662 CE1 HIS A 43 -7.287 1.144 6.339 1.00 0.00 C ATOM 663 NE2 HIS A 43 -8.178 1.054 7.303 1.00 0.00 N ATOM 0 H HIS A 43 -6.938 -2.986 3.887 1.00 0.00 H new ATOM 0 HA HIS A 43 -9.627 -3.352 4.638 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.813 -2.870 6.668 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -7.239 -2.818 5.900 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -6.585 -0.244 4.958 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.417 -0.606 8.009 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -6.724 2.028 6.080 1.00 0.00 H new ATOM 672 N LEU A 44 -9.030 -0.558 3.151 1.00 0.00 N ATOM 673 CA LEU A 44 -9.676 0.620 2.589 1.00 0.00 C ATOM 674 C LEU A 44 -10.578 0.216 1.433 1.00 0.00 C ATOM 675 O LEU A 44 -11.698 0.712 1.301 1.00 0.00 O ATOM 676 CB LEU A 44 -8.635 1.638 2.122 1.00 0.00 C ATOM 677 CG LEU A 44 -7.934 2.404 3.245 1.00 0.00 C ATOM 678 CD1 LEU A 44 -6.772 3.214 2.695 1.00 0.00 C ATOM 679 CD2 LEU A 44 -8.922 3.315 3.960 1.00 0.00 C ATOM 0 H LEU A 44 -8.103 -0.754 2.773 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.283 1.087 3.365 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.881 1.119 1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.121 2.356 1.461 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.542 1.682 3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.286 3.752 3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.053 2.545 2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.142 3.927 1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.409 3.854 4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.339 4.029 3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.726 2.716 4.387 1.00 0.00 H new ATOM 691 N LEU A 45 -10.086 -0.703 0.612 1.00 0.00 N ATOM 692 CA LEU A 45 -10.857 -1.235 -0.502 1.00 0.00 C ATOM 693 C LEU A 45 -12.127 -1.914 -0.008 1.00 0.00 C ATOM 694 O LEU A 45 -13.228 -1.571 -0.437 1.00 0.00 O ATOM 695 CB LEU A 45 -10.016 -2.224 -1.312 1.00 0.00 C ATOM 696 CG LEU A 45 -8.946 -1.587 -2.195 1.00 0.00 C ATOM 697 CD1 LEU A 45 -8.084 -2.657 -2.846 1.00 0.00 C ATOM 698 CD2 LEU A 45 -9.594 -0.708 -3.252 1.00 0.00 C ATOM 0 H LEU A 45 -9.149 -1.097 0.699 1.00 0.00 H new ATOM 0 HA LEU A 45 -11.138 -0.401 -1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.532 -2.917 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.682 -2.814 -1.942 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.304 -0.965 -1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.327 -2.184 -3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.596 -3.251 -2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.710 -3.304 -3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.821 -0.259 -3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.255 -1.313 -3.873 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.171 0.079 -2.767 1.00 0.00 H new ATOM 710 N GLU A 46 -11.967 -2.855 0.914 1.00 0.00 N ATOM 711 CA GLU A 46 -13.094 -3.594 1.475 1.00 0.00 C ATOM 712 C GLU A 46 -14.060 -2.684 2.238 1.00 0.00 C ATOM 713 O GLU A 46 -15.228 -3.026 2.431 1.00 0.00 O ATOM 714 CB GLU A 46 -12.599 -4.708 2.408 1.00 0.00 C ATOM 715 CG GLU A 46 -12.339 -6.045 1.721 1.00 0.00 C ATOM 716 CD GLU A 46 -11.089 -6.069 0.867 1.00 0.00 C ATOM 717 OE1 GLU A 46 -9.979 -6.075 1.436 1.00 0.00 O ATOM 718 OE2 GLU A 46 -11.220 -6.136 -0.371 1.00 0.00 O ATOM 0 H GLU A 46 -11.060 -3.127 1.293 1.00 0.00 H new ATOM 0 HA GLU A 46 -13.634 -4.031 0.635 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.679 -4.378 2.890 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.336 -4.857 3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.262 -6.823 2.481 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.197 -6.293 1.097 1.00 0.00 H new ATOM 725 N ARG A 47 -13.581 -1.523 2.661 1.00 0.00 N ATOM 726 CA ARG A 47 -14.373 -0.642 3.512 1.00 0.00 C ATOM 727 C ARG A 47 -15.164 0.376 2.695 1.00 0.00 C ATOM 728 O ARG A 47 -16.320 0.666 3.002 1.00 0.00 O ATOM 729 CB ARG A 47 -13.458 0.095 4.491 1.00 0.00 C ATOM 730 CG ARG A 47 -14.182 0.715 5.673 1.00 0.00 C ATOM 731 CD ARG A 47 -14.643 -0.347 6.660 1.00 0.00 C ATOM 732 NE ARG A 47 -15.262 0.241 7.844 1.00 0.00 N ATOM 733 CZ ARG A 47 -14.749 0.160 9.073 1.00 0.00 C ATOM 734 NH1 ARG A 47 -13.602 -0.472 9.284 1.00 0.00 N ATOM 735 NH2 ARG A 47 -15.384 0.717 10.092 1.00 0.00 N ATOM 0 H ARG A 47 -12.652 -1.169 2.431 1.00 0.00 H new ATOM 0 HA ARG A 47 -15.083 -1.263 4.058 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.707 -0.602 4.864 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.926 0.879 3.953 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.521 1.420 6.177 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -15.042 1.282 5.318 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -15.355 -1.012 6.171 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.791 -0.957 6.961 1.00 0.00 H new ATOM 0 HE ARG A 47 -16.141 0.745 7.724 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -13.105 -0.901 8.503 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -13.217 -0.529 10.227 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -16.265 1.208 9.937 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -14.993 0.656 11.032 1.00 0.00 H new ATOM 749 N LYS A 48 -14.539 0.924 1.663 1.00 0.00 N ATOM 750 CA LYS A 48 -15.137 2.028 0.917 1.00 0.00 C ATOM 751 C LYS A 48 -15.661 1.593 -0.448 1.00 0.00 C ATOM 752 O LYS A 48 -16.710 2.061 -0.893 1.00 0.00 O ATOM 753 CB LYS A 48 -14.114 3.147 0.718 1.00 0.00 C ATOM 754 CG LYS A 48 -13.539 3.713 2.007 1.00 0.00 C ATOM 755 CD LYS A 48 -14.605 4.370 2.869 1.00 0.00 C ATOM 756 CE LYS A 48 -13.978 5.122 4.034 1.00 0.00 C ATOM 757 NZ LYS A 48 -13.157 6.279 3.574 1.00 0.00 N ATOM 0 H LYS A 48 -13.624 0.627 1.323 1.00 0.00 H new ATOM 0 HA LYS A 48 -15.981 2.383 1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -13.296 2.769 0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.584 3.956 0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.059 2.913 2.571 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.766 4.443 1.769 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -15.195 5.058 2.263 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -15.290 3.611 3.248 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -14.763 5.477 4.701 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.353 4.441 4.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.181 6.171 3.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.156 6.313 2.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.560 7.161 3.949 1.00 0.00 H new ATOM 771 N VAL A 49 -14.938 0.703 -1.107 1.00 0.00 N ATOM 772 CA VAL A 49 -15.201 0.409 -2.508 1.00 0.00 C ATOM 773 C VAL A 49 -15.922 -0.928 -2.676 1.00 0.00 C ATOM 774 O VAL A 49 -15.500 -1.941 -2.120 1.00 0.00 O ATOM 775 CB VAL A 49 -13.884 0.385 -3.318 1.00 0.00 C ATOM 776 CG1 VAL A 49 -14.162 0.282 -4.808 1.00 0.00 C ATOM 777 CG2 VAL A 49 -13.041 1.618 -3.014 1.00 0.00 C ATOM 0 H VAL A 49 -14.168 0.173 -0.698 1.00 0.00 H new ATOM 0 HA VAL A 49 -15.846 1.202 -2.887 1.00 0.00 H new ATOM 0 HB VAL A 49 -13.321 -0.499 -3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.219 0.267 -5.354 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -14.714 -0.635 -5.013 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.753 1.140 -5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -12.119 1.581 -3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -13.600 2.515 -3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -12.800 1.641 -1.951 1.00 0.00 H new ATOM 787 N PRO A 50 -17.027 -0.943 -3.441 1.00 0.00 N ATOM 788 CA PRO A 50 -17.743 -2.179 -3.780 1.00 0.00 C ATOM 789 C PRO A 50 -16.819 -3.190 -4.457 1.00 0.00 C ATOM 790 O PRO A 50 -15.961 -2.810 -5.249 1.00 0.00 O ATOM 791 CB PRO A 50 -18.828 -1.713 -4.752 1.00 0.00 C ATOM 792 CG PRO A 50 -19.020 -0.268 -4.447 1.00 0.00 C ATOM 793 CD PRO A 50 -17.674 0.246 -4.023 1.00 0.00 C ATOM 0 HA PRO A 50 -18.141 -2.683 -2.899 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -18.521 -1.861 -5.787 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -19.752 -2.273 -4.610 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -19.386 0.270 -5.321 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -19.757 -0.130 -3.656 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -17.109 0.639 -4.868 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -17.762 1.053 -3.296 1.00 0.00 H new ATOM 801 N SER A 51 -17.016 -4.468 -4.155 1.00 0.00 N ATOM 802 CA SER A 51 -16.120 -5.539 -4.594 1.00 0.00 C ATOM 803 C SER A 51 -15.857 -5.528 -6.104 1.00 0.00 C ATOM 804 O SER A 51 -14.759 -5.864 -6.546 1.00 0.00 O ATOM 805 CB SER A 51 -16.705 -6.885 -4.176 1.00 0.00 C ATOM 806 OG SER A 51 -16.941 -6.919 -2.778 1.00 0.00 O ATOM 0 H SER A 51 -17.804 -4.795 -3.596 1.00 0.00 H new ATOM 0 HA SER A 51 -15.156 -5.372 -4.113 1.00 0.00 H new ATOM 0 HB2 SER A 51 -17.638 -7.063 -4.711 1.00 0.00 H new ATOM 0 HB3 SER A 51 -16.020 -7.686 -4.453 1.00 0.00 H new ATOM 0 HG SER A 51 -17.317 -7.789 -2.531 1.00 0.00 H new ATOM 812 N GLU A 52 -16.851 -5.137 -6.892 1.00 0.00 N ATOM 813 CA GLU A 52 -16.702 -5.131 -8.343 1.00 0.00 C ATOM 814 C GLU A 52 -15.775 -4.007 -8.805 1.00 0.00 C ATOM 815 O GLU A 52 -14.875 -4.230 -9.615 1.00 0.00 O ATOM 816 CB GLU A 52 -18.068 -5.017 -9.016 1.00 0.00 C ATOM 817 CG GLU A 52 -18.982 -6.191 -8.707 1.00 0.00 C ATOM 818 CD GLU A 52 -18.334 -7.527 -9.022 1.00 0.00 C ATOM 819 OE1 GLU A 52 -18.326 -7.924 -10.209 1.00 0.00 O ATOM 820 OE2 GLU A 52 -17.830 -8.186 -8.089 1.00 0.00 O ATOM 0 H GLU A 52 -17.761 -4.823 -6.556 1.00 0.00 H new ATOM 0 HA GLU A 52 -16.245 -6.075 -8.638 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -18.550 -4.094 -8.694 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -17.930 -4.945 -10.095 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -19.260 -6.164 -7.653 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -19.903 -6.092 -9.282 1.00 0.00 H new ATOM 827 N SER A 53 -15.982 -2.806 -8.278 1.00 0.00 N ATOM 828 CA SER A 53 -15.126 -1.672 -8.611 1.00 0.00 C ATOM 829 C SER A 53 -13.777 -1.813 -7.913 1.00 0.00 C ATOM 830 O SER A 53 -12.760 -1.302 -8.377 1.00 0.00 O ATOM 831 CB SER A 53 -15.806 -0.367 -8.195 1.00 0.00 C ATOM 832 OG SER A 53 -17.117 -0.293 -8.728 1.00 0.00 O ATOM 0 H SER A 53 -16.732 -2.592 -7.621 1.00 0.00 H new ATOM 0 HA SER A 53 -14.961 -1.654 -9.688 1.00 0.00 H new ATOM 0 HB2 SER A 53 -15.846 -0.303 -7.108 1.00 0.00 H new ATOM 0 HB3 SER A 53 -15.218 0.482 -8.543 1.00 0.00 H new ATOM 0 HG SER A 53 -17.536 0.548 -8.450 1.00 0.00 H new ATOM 838 N ARG A 54 -13.793 -2.536 -6.802 1.00 0.00 N ATOM 839 CA ARG A 54 -12.603 -2.803 -6.007 1.00 0.00 C ATOM 840 C ARG A 54 -11.535 -3.495 -6.851 1.00 0.00 C ATOM 841 O ARG A 54 -10.340 -3.261 -6.678 1.00 0.00 O ATOM 842 CB ARG A 54 -13.004 -3.683 -4.824 1.00 0.00 C ATOM 843 CG ARG A 54 -11.962 -3.811 -3.734 1.00 0.00 C ATOM 844 CD ARG A 54 -12.478 -4.687 -2.607 1.00 0.00 C ATOM 845 NE ARG A 54 -13.723 -4.176 -2.033 1.00 0.00 N ATOM 846 CZ ARG A 54 -14.538 -4.904 -1.276 1.00 0.00 C ATOM 847 NH1 ARG A 54 -14.191 -6.136 -0.934 1.00 0.00 N ATOM 848 NH2 ARG A 54 -15.672 -4.382 -0.827 1.00 0.00 N ATOM 0 H ARG A 54 -14.641 -2.958 -6.424 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.181 -1.865 -5.647 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.918 -3.281 -4.386 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.241 -4.679 -5.197 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.047 -4.238 -4.145 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.707 -2.824 -3.348 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.641 -5.698 -2.981 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.721 -4.754 -1.826 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.980 -3.208 -2.224 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.302 -6.522 -1.251 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -14.813 -6.698 -0.353 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.920 -3.421 -1.063 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.296 -4.942 -0.246 1.00 0.00 H new ATOM 862 N GLN A 55 -11.989 -4.334 -7.777 1.00 0.00 N ATOM 863 CA GLN A 55 -11.096 -5.037 -8.691 1.00 0.00 C ATOM 864 C GLN A 55 -10.364 -4.043 -9.587 1.00 0.00 C ATOM 865 O GLN A 55 -9.157 -4.149 -9.794 1.00 0.00 O ATOM 866 CB GLN A 55 -11.888 -6.021 -9.555 1.00 0.00 C ATOM 867 CG GLN A 55 -12.754 -6.978 -8.754 1.00 0.00 C ATOM 868 CD GLN A 55 -13.577 -7.896 -9.634 1.00 0.00 C ATOM 869 OE1 GLN A 55 -13.159 -8.265 -10.734 1.00 0.00 O ATOM 870 NE2 GLN A 55 -14.759 -8.258 -9.164 1.00 0.00 N ATOM 0 H GLN A 55 -12.978 -4.544 -7.914 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.365 -5.589 -8.100 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.522 -5.459 -10.241 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.192 -6.598 -10.164 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.119 -7.579 -8.103 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.421 -6.406 -8.109 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -15.066 -7.930 -8.248 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -15.364 -8.865 -9.717 1.00 0.00 H new ATOM 879 N ALA A 56 -11.110 -3.067 -10.096 1.00 0.00 N ATOM 880 CA ALA A 56 -10.558 -2.056 -10.991 1.00 0.00 C ATOM 881 C ALA A 56 -9.581 -1.156 -10.252 1.00 0.00 C ATOM 882 O ALA A 56 -8.512 -0.825 -10.767 1.00 0.00 O ATOM 883 CB ALA A 56 -11.677 -1.230 -11.605 1.00 0.00 C ATOM 0 H ALA A 56 -12.105 -2.955 -9.902 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.017 -2.564 -11.789 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.252 -0.479 -12.271 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.342 -1.882 -12.171 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.241 -0.736 -10.814 1.00 0.00 H new ATOM 889 N VAL A 57 -9.947 -0.770 -9.035 1.00 0.00 N ATOM 890 CA VAL A 57 -9.089 0.072 -8.214 1.00 0.00 C ATOM 891 C VAL A 57 -7.773 -0.641 -7.917 1.00 0.00 C ATOM 892 O VAL A 57 -6.708 -0.032 -7.971 1.00 0.00 O ATOM 893 CB VAL A 57 -9.772 0.476 -6.888 1.00 0.00 C ATOM 894 CG1 VAL A 57 -8.865 1.381 -6.066 1.00 0.00 C ATOM 895 CG2 VAL A 57 -11.100 1.165 -7.159 1.00 0.00 C ATOM 0 H VAL A 57 -10.831 -1.027 -8.597 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.893 0.982 -8.781 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.962 -0.432 -6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.367 1.652 -5.137 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.938 0.856 -5.837 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.640 2.284 -6.634 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.566 1.442 -6.213 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.930 2.061 -7.756 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.758 0.487 -7.702 1.00 0.00 H new ATOM 905 N ALA A 58 -7.853 -1.938 -7.626 1.00 0.00 N ATOM 906 CA ALA A 58 -6.661 -2.742 -7.367 1.00 0.00 C ATOM 907 C ALA A 58 -5.760 -2.782 -8.597 1.00 0.00 C ATOM 908 O ALA A 58 -4.538 -2.652 -8.491 1.00 0.00 O ATOM 909 CB ALA A 58 -7.048 -4.154 -6.949 1.00 0.00 C ATOM 0 H ALA A 58 -8.731 -2.454 -7.564 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.109 -2.277 -6.550 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.147 -4.738 -6.761 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.650 -4.113 -6.041 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.625 -4.624 -7.746 1.00 0.00 H new ATOM 915 N GLU A 59 -6.379 -2.952 -9.763 1.00 0.00 N ATOM 916 CA GLU A 59 -5.665 -2.960 -11.037 1.00 0.00 C ATOM 917 C GLU A 59 -4.904 -1.649 -11.235 1.00 0.00 C ATOM 918 O GLU A 59 -3.720 -1.645 -11.573 1.00 0.00 O ATOM 919 CB GLU A 59 -6.661 -3.168 -12.186 1.00 0.00 C ATOM 920 CG GLU A 59 -6.029 -3.229 -13.567 1.00 0.00 C ATOM 921 CD GLU A 59 -5.045 -4.369 -13.723 1.00 0.00 C ATOM 922 OE1 GLU A 59 -5.487 -5.519 -13.913 1.00 0.00 O ATOM 923 OE2 GLU A 59 -3.826 -4.108 -13.680 1.00 0.00 O ATOM 0 H GLU A 59 -7.386 -3.088 -9.851 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.945 -3.778 -11.030 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.210 -4.093 -12.011 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.389 -2.357 -12.169 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.815 -3.331 -14.315 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.519 -2.287 -13.768 1.00 0.00 H new ATOM 930 N GLN A 60 -5.592 -0.540 -11.014 1.00 0.00 N ATOM 931 CA GLN A 60 -5.007 0.781 -11.205 1.00 0.00 C ATOM 932 C GLN A 60 -3.994 1.104 -10.109 1.00 0.00 C ATOM 933 O GLN A 60 -2.983 1.762 -10.364 1.00 0.00 O ATOM 934 CB GLN A 60 -6.114 1.832 -11.250 1.00 0.00 C ATOM 935 CG GLN A 60 -7.068 1.633 -12.418 1.00 0.00 C ATOM 936 CD GLN A 60 -8.295 2.516 -12.346 1.00 0.00 C ATOM 937 OE1 GLN A 60 -8.257 3.625 -11.808 1.00 0.00 O ATOM 938 NE2 GLN A 60 -9.397 2.025 -12.885 1.00 0.00 N ATOM 0 H GLN A 60 -6.562 -0.527 -10.700 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.471 0.789 -12.154 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.677 1.800 -10.317 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.665 2.823 -11.318 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.538 1.834 -13.349 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.381 0.589 -12.449 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.385 1.103 -13.320 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.260 2.568 -12.866 1.00 0.00 H new ATOM 947 N PHE A 61 -4.256 0.622 -8.900 1.00 0.00 N ATOM 948 CA PHE A 61 -3.356 0.838 -7.773 1.00 0.00 C ATOM 949 C PHE A 61 -2.026 0.131 -8.011 1.00 0.00 C ATOM 950 O PHE A 61 -0.964 0.741 -7.900 1.00 0.00 O ATOM 951 CB PHE A 61 -3.985 0.336 -6.470 1.00 0.00 C ATOM 952 CG PHE A 61 -3.121 0.568 -5.263 1.00 0.00 C ATOM 953 CD1 PHE A 61 -3.094 1.807 -4.649 1.00 0.00 C ATOM 954 CD2 PHE A 61 -2.340 -0.452 -4.743 1.00 0.00 C ATOM 955 CE1 PHE A 61 -2.300 2.030 -3.544 1.00 0.00 C ATOM 956 CE2 PHE A 61 -1.541 -0.235 -3.637 1.00 0.00 C ATOM 957 CZ PHE A 61 -1.524 1.007 -3.036 1.00 0.00 C ATOM 0 H PHE A 61 -5.088 0.077 -8.674 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.178 1.910 -7.684 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.944 0.833 -6.323 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.190 -0.731 -6.561 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.702 2.609 -5.040 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.356 -1.427 -5.207 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.285 3.003 -3.076 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.931 -1.035 -3.244 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.904 1.179 -2.169 1.00 0.00 H new ATOM 967 N ALA A 62 -2.093 -1.156 -8.347 1.00 0.00 N ATOM 968 CA ALA A 62 -0.892 -1.940 -8.623 1.00 0.00 C ATOM 969 C ALA A 62 -0.146 -1.365 -9.820 1.00 0.00 C ATOM 970 O ALA A 62 1.081 -1.427 -9.899 1.00 0.00 O ATOM 971 CB ALA A 62 -1.255 -3.396 -8.874 1.00 0.00 C ATOM 0 H ALA A 62 -2.966 -1.677 -8.434 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.239 -1.891 -7.752 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.349 -3.967 -9.078 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.751 -3.804 -7.993 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.926 -3.461 -9.731 1.00 0.00 H new ATOM 977 N LYS A 63 -0.908 -0.797 -10.742 1.00 0.00 N ATOM 978 CA LYS A 63 -0.351 -0.177 -11.933 1.00 0.00 C ATOM 979 C LYS A 63 0.453 1.066 -11.557 1.00 0.00 C ATOM 980 O LYS A 63 1.565 1.270 -12.044 1.00 0.00 O ATOM 981 CB LYS A 63 -1.485 0.184 -12.892 1.00 0.00 C ATOM 982 CG LYS A 63 -1.049 0.412 -14.330 1.00 0.00 C ATOM 983 CD LYS A 63 -2.249 0.536 -15.261 1.00 0.00 C ATOM 984 CE LYS A 63 -2.885 -0.817 -15.592 1.00 0.00 C ATOM 985 NZ LYS A 63 -3.366 -1.543 -14.389 1.00 0.00 N ATOM 0 H LYS A 63 -1.926 -0.753 -10.686 1.00 0.00 H new ATOM 0 HA LYS A 63 0.322 -0.878 -12.426 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.227 -0.614 -12.873 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.978 1.086 -12.528 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.445 1.317 -14.390 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.417 -0.414 -14.656 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.997 1.181 -14.799 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.937 1.022 -16.186 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.721 -0.662 -16.274 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.157 -1.436 -16.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.905 -2.383 -14.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.552 -1.838 -13.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.979 -0.917 -13.828 1.00 0.00 H new ATOM 999 N ALA A 64 -0.108 1.883 -10.670 1.00 0.00 N ATOM 1000 CA ALA A 64 0.575 3.076 -10.176 1.00 0.00 C ATOM 1001 C ALA A 64 1.771 2.689 -9.312 1.00 0.00 C ATOM 1002 O ALA A 64 2.819 3.339 -9.351 1.00 0.00 O ATOM 1003 CB ALA A 64 -0.388 3.950 -9.383 1.00 0.00 C ATOM 0 H ALA A 64 -1.038 1.740 -10.277 1.00 0.00 H new ATOM 0 HA ALA A 64 0.936 3.644 -11.033 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.137 4.835 -9.022 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.215 4.255 -10.024 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.776 3.387 -8.534 1.00 0.00 H new ATOM 1009 N LEU A 65 1.595 1.627 -8.534 1.00 0.00 N ATOM 1010 CA LEU A 65 2.654 1.087 -7.690 1.00 0.00 C ATOM 1011 C LEU A 65 3.867 0.718 -8.543 1.00 0.00 C ATOM 1012 O LEU A 65 4.974 1.212 -8.322 1.00 0.00 O ATOM 1013 CB LEU A 65 2.134 -0.153 -6.957 1.00 0.00 C ATOM 1014 CG LEU A 65 2.918 -0.590 -5.719 1.00 0.00 C ATOM 1015 CD1 LEU A 65 2.704 0.393 -4.581 1.00 0.00 C ATOM 1016 CD2 LEU A 65 2.500 -1.990 -5.299 1.00 0.00 C ATOM 0 H LEU A 65 0.714 1.116 -8.471 1.00 0.00 H new ATOM 0 HA LEU A 65 2.955 1.840 -6.962 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.102 0.034 -6.660 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.117 -0.984 -7.662 1.00 0.00 H new ATOM 0 HG LEU A 65 3.980 -0.604 -5.966 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.269 0.067 -3.708 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.046 1.382 -4.886 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.644 0.436 -4.332 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.066 -2.289 -4.417 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.435 -1.998 -5.067 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.699 -2.688 -6.112 1.00 0.00 H new ATOM 1028 N ALA A 66 3.632 -0.132 -9.542 1.00 0.00 N ATOM 1029 CA ALA A 66 4.687 -0.573 -10.447 1.00 0.00 C ATOM 1030 C ALA A 66 5.279 0.601 -11.217 1.00 0.00 C ATOM 1031 O ALA A 66 6.486 0.653 -11.452 1.00 0.00 O ATOM 1032 CB ALA A 66 4.154 -1.622 -11.410 1.00 0.00 C ATOM 0 H ALA A 66 2.715 -0.529 -9.744 1.00 0.00 H new ATOM 0 HA ALA A 66 5.481 -1.017 -9.847 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.953 -1.941 -12.079 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.788 -2.480 -10.847 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.339 -1.197 -11.996 1.00 0.00 H new ATOM 1038 N GLN A 67 4.423 1.547 -11.595 1.00 0.00 N ATOM 1039 CA GLN A 67 4.852 2.739 -12.323 1.00 0.00 C ATOM 1040 C GLN A 67 5.879 3.526 -11.511 1.00 0.00 C ATOM 1041 O GLN A 67 6.878 4.006 -12.050 1.00 0.00 O ATOM 1042 CB GLN A 67 3.641 3.620 -12.648 1.00 0.00 C ATOM 1043 CG GLN A 67 3.987 4.899 -13.392 1.00 0.00 C ATOM 1044 CD GLN A 67 2.759 5.718 -13.730 1.00 0.00 C ATOM 1045 OE1 GLN A 67 2.320 6.557 -12.943 1.00 0.00 O ATOM 1046 NE2 GLN A 67 2.200 5.487 -14.908 1.00 0.00 N ATOM 0 H GLN A 67 3.421 1.511 -11.408 1.00 0.00 H new ATOM 0 HA GLN A 67 5.321 2.426 -13.256 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.936 3.043 -13.247 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.133 3.879 -11.719 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.665 5.498 -12.784 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.519 4.650 -14.310 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.595 4.783 -15.531 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.374 6.013 -15.193 1.00 0.00 H new ATOM 1055 N SER A 68 5.639 3.634 -10.211 1.00 0.00 N ATOM 1056 CA SER A 68 6.547 4.346 -9.322 1.00 0.00 C ATOM 1057 C SER A 68 7.884 3.610 -9.222 1.00 0.00 C ATOM 1058 O SER A 68 8.946 4.229 -9.102 1.00 0.00 O ATOM 1059 CB SER A 68 5.910 4.497 -7.940 1.00 0.00 C ATOM 1060 OG SER A 68 4.623 5.086 -8.043 1.00 0.00 O ATOM 0 H SER A 68 4.822 3.237 -9.748 1.00 0.00 H new ATOM 0 HA SER A 68 6.736 5.339 -9.731 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.831 3.521 -7.462 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.548 5.113 -7.305 1.00 0.00 H new ATOM 0 HG SER A 68 4.000 4.443 -8.442 1.00 0.00 H new ATOM 1066 N VAL A 69 7.826 2.283 -9.289 1.00 0.00 N ATOM 1067 CA VAL A 69 9.031 1.463 -9.289 1.00 0.00 C ATOM 1068 C VAL A 69 9.792 1.631 -10.604 1.00 0.00 C ATOM 1069 O VAL A 69 11.024 1.723 -10.617 1.00 0.00 O ATOM 1070 CB VAL A 69 8.698 -0.032 -9.078 1.00 0.00 C ATOM 1071 CG1 VAL A 69 9.965 -0.874 -9.067 1.00 0.00 C ATOM 1072 CG2 VAL A 69 7.917 -0.233 -7.787 1.00 0.00 C ATOM 0 H VAL A 69 6.956 1.753 -9.344 1.00 0.00 H new ATOM 0 HA VAL A 69 9.654 1.800 -8.461 1.00 0.00 H new ATOM 0 HB VAL A 69 8.077 -0.359 -9.912 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.704 -1.922 -8.917 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.485 -0.762 -10.019 1.00 0.00 H new ATOM 0 HG13 VAL A 69 10.615 -0.542 -8.257 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.693 -1.292 -7.658 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.512 0.117 -6.944 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.986 0.332 -7.833 1.00 0.00 H new ATOM 1082 N LYS A 70 9.046 1.686 -11.706 1.00 0.00 N ATOM 1083 CA LYS A 70 9.627 1.844 -13.038 1.00 0.00 C ATOM 1084 C LYS A 70 10.486 3.100 -13.118 1.00 0.00 C ATOM 1085 O LYS A 70 11.586 3.067 -13.660 1.00 0.00 O ATOM 1086 CB LYS A 70 8.523 1.906 -14.103 1.00 0.00 C ATOM 1087 CG LYS A 70 7.764 0.598 -14.294 1.00 0.00 C ATOM 1088 CD LYS A 70 8.353 -0.263 -15.408 1.00 0.00 C ATOM 1089 CE LYS A 70 9.801 -0.644 -15.144 1.00 0.00 C ATOM 1090 NZ LYS A 70 10.320 -1.570 -16.182 1.00 0.00 N ATOM 0 H LYS A 70 8.028 1.623 -11.701 1.00 0.00 H new ATOM 0 HA LYS A 70 10.260 0.977 -13.227 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.814 2.688 -13.830 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.968 2.197 -15.055 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.775 0.036 -13.360 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.721 0.817 -14.522 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.756 -1.169 -15.517 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.289 0.277 -16.353 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.416 0.256 -15.118 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.881 -1.113 -14.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.336 -1.400 -16.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.173 -2.553 -15.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.815 -1.407 -17.076 1.00 0.00 H new ATOM 1104 N SER A 71 9.989 4.194 -12.548 1.00 0.00 N ATOM 1105 CA SER A 71 10.684 5.481 -12.597 1.00 0.00 C ATOM 1106 C SER A 71 12.086 5.381 -11.977 1.00 0.00 C ATOM 1107 O SER A 71 12.973 6.174 -12.292 1.00 0.00 O ATOM 1108 CB SER A 71 9.847 6.545 -11.871 1.00 0.00 C ATOM 1109 OG SER A 71 10.318 7.860 -12.138 1.00 0.00 O ATOM 0 H SER A 71 9.103 4.217 -12.044 1.00 0.00 H new ATOM 0 HA SER A 71 10.807 5.770 -13.641 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.805 6.462 -12.181 1.00 0.00 H new ATOM 0 HB3 SER A 71 9.876 6.360 -10.797 1.00 0.00 H new ATOM 0 HG SER A 71 9.761 8.510 -11.661 1.00 0.00 H new ATOM 1115 N ASN A 72 12.281 4.396 -11.109 1.00 0.00 N ATOM 1116 CA ASN A 72 13.569 4.196 -10.453 1.00 0.00 C ATOM 1117 C ASN A 72 14.491 3.310 -11.287 1.00 0.00 C ATOM 1118 O ASN A 72 15.696 3.559 -11.383 1.00 0.00 O ATOM 1119 CB ASN A 72 13.377 3.573 -9.067 1.00 0.00 C ATOM 1120 CG ASN A 72 13.258 4.608 -7.965 1.00 0.00 C ATOM 1121 OD1 ASN A 72 14.263 5.019 -7.384 1.00 0.00 O ATOM 1122 ND2 ASN A 72 12.039 5.024 -7.658 1.00 0.00 N ATOM 0 H ASN A 72 11.563 3.722 -10.842 1.00 0.00 H new ATOM 0 HA ASN A 72 14.035 5.176 -10.348 1.00 0.00 H new ATOM 0 HB2 ASN A 72 12.481 2.953 -9.074 1.00 0.00 H new ATOM 0 HB3 ASN A 72 14.218 2.915 -8.851 1.00 0.00 H new ATOM 0 HD21 ASN A 72 11.906 5.710 -6.915 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.233 4.658 -8.164 1.00 0.00 H new ATOM 1129 N LEU A 73 13.922 2.278 -11.896 1.00 0.00 N ATOM 1130 CA LEU A 73 14.717 1.288 -12.612 1.00 0.00 C ATOM 1131 C LEU A 73 15.037 1.771 -14.024 1.00 0.00 C ATOM 1132 O LEU A 73 16.147 1.567 -14.520 1.00 0.00 O ATOM 1133 CB LEU A 73 13.976 -0.057 -12.647 1.00 0.00 C ATOM 1134 CG LEU A 73 14.851 -1.311 -12.833 1.00 0.00 C ATOM 1135 CD1 LEU A 73 15.392 -1.417 -14.252 1.00 0.00 C ATOM 1136 CD2 LEU A 73 15.996 -1.313 -11.833 1.00 0.00 C ATOM 0 H LEU A 73 12.917 2.105 -11.909 1.00 0.00 H new ATOM 0 HA LEU A 73 15.661 1.150 -12.085 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.417 -0.164 -11.718 1.00 0.00 H new ATOM 0 HB3 LEU A 73 13.246 -0.025 -13.456 1.00 0.00 H new ATOM 0 HG LEU A 73 14.219 -2.180 -12.653 1.00 0.00 H new ATOM 0 HD11 LEU A 73 16.004 -2.315 -14.342 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.561 -1.472 -14.955 1.00 0.00 H new ATOM 0 HD13 LEU A 73 15.999 -0.540 -14.476 1.00 0.00 H new ATOM 0 HD21 LEU A 73 16.604 -2.206 -11.978 1.00 0.00 H new ATOM 0 HD22 LEU A 73 16.612 -0.426 -11.983 1.00 0.00 H new ATOM 0 HD23 LEU A 73 15.594 -1.309 -10.820 1.00 0.00 H new ATOM 1148 N GLU A 74 14.078 2.441 -14.655 1.00 0.00 N ATOM 1149 CA GLU A 74 14.243 2.910 -16.027 1.00 0.00 C ATOM 1150 C GLU A 74 15.122 4.160 -16.066 1.00 0.00 C ATOM 1151 O GLU A 74 14.713 5.214 -16.549 1.00 0.00 O ATOM 1152 CB GLU A 74 12.882 3.206 -16.667 1.00 0.00 C ATOM 1153 CG GLU A 74 11.885 2.060 -16.568 1.00 0.00 C ATOM 1154 CD GLU A 74 12.380 0.777 -17.206 1.00 0.00 C ATOM 1155 OE1 GLU A 74 12.308 0.664 -18.447 1.00 0.00 O ATOM 1156 OE2 GLU A 74 12.810 -0.133 -16.467 1.00 0.00 O ATOM 0 H GLU A 74 13.177 2.672 -14.237 1.00 0.00 H new ATOM 0 HA GLU A 74 14.731 2.120 -16.597 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.453 4.088 -16.191 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.033 3.452 -17.718 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.661 1.872 -15.518 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.951 2.358 -17.045 1.00 0.00 H new ATOM 1163 N HIS A 75 16.336 4.030 -15.551 1.00 0.00 N ATOM 1164 CA HIS A 75 17.289 5.134 -15.527 1.00 0.00 C ATOM 1165 C HIS A 75 18.162 5.126 -16.779 1.00 0.00 C ATOM 1166 O HIS A 75 19.211 5.765 -16.828 1.00 0.00 O ATOM 1167 CB HIS A 75 18.156 5.091 -14.256 1.00 0.00 C ATOM 1168 CG HIS A 75 18.717 3.740 -13.919 1.00 0.00 C ATOM 1169 ND1 HIS A 75 18.288 3.000 -12.836 1.00 0.00 N ATOM 1170 CD2 HIS A 75 19.685 3.003 -14.515 1.00 0.00 C ATOM 1171 CE1 HIS A 75 18.964 1.868 -12.785 1.00 0.00 C ATOM 1172 NE2 HIS A 75 19.814 1.845 -13.791 1.00 0.00 N ATOM 0 H HIS A 75 16.688 3.165 -15.141 1.00 0.00 H new ATOM 0 HA HIS A 75 16.721 6.064 -15.514 1.00 0.00 H new ATOM 0 HB2 HIS A 75 18.982 5.792 -14.373 1.00 0.00 H new ATOM 0 HB3 HIS A 75 17.558 5.440 -13.414 1.00 0.00 H new ATOM 0 HD1 HIS A 75 17.562 3.284 -12.178 1.00 0.00 H new ATOM 0 HD2 HIS A 75 20.249 3.276 -15.395 1.00 0.00 H new ATOM 0 HE1 HIS A 75 18.841 1.092 -12.044 1.00 0.00 H new ATOM 1181 N HIS A 76 17.712 4.398 -17.789 1.00 0.00 N ATOM 1182 CA HIS A 76 18.378 4.375 -19.083 1.00 0.00 C ATOM 1183 C HIS A 76 17.775 5.477 -19.951 1.00 0.00 C ATOM 1184 O HIS A 76 16.616 5.397 -20.346 1.00 0.00 O ATOM 1185 CB HIS A 76 18.200 2.998 -19.736 1.00 0.00 C ATOM 1186 CG HIS A 76 19.172 2.712 -20.841 1.00 0.00 C ATOM 1187 ND1 HIS A 76 18.803 2.158 -22.044 1.00 0.00 N ATOM 1188 CD2 HIS A 76 20.514 2.881 -20.904 1.00 0.00 C ATOM 1189 CE1 HIS A 76 19.873 1.993 -22.800 1.00 0.00 C ATOM 1190 NE2 HIS A 76 20.921 2.425 -22.130 1.00 0.00 N ATOM 0 H HIS A 76 16.880 3.810 -17.736 1.00 0.00 H new ATOM 0 HA HIS A 76 19.447 4.552 -18.967 1.00 0.00 H new ATOM 0 HB2 HIS A 76 18.301 2.229 -18.970 1.00 0.00 H new ATOM 0 HB3 HIS A 76 17.187 2.923 -20.130 1.00 0.00 H new ATOM 0 HD2 HIS A 76 21.145 3.297 -20.133 1.00 0.00 H new ATOM 0 HE1 HIS A 76 19.886 1.576 -23.796 1.00 0.00 H new ATOM 0 HE2 HIS A 76 21.883 2.421 -22.470 1.00 0.00 H new ATOM 1199 N HIS A 77 18.563 6.506 -20.236 1.00 0.00 N ATOM 1200 CA HIS A 77 18.026 7.744 -20.800 1.00 0.00 C ATOM 1201 C HIS A 77 18.207 7.825 -22.310 1.00 0.00 C ATOM 1202 O HIS A 77 18.006 8.881 -22.909 1.00 0.00 O ATOM 1203 CB HIS A 77 18.692 8.953 -20.143 1.00 0.00 C ATOM 1204 CG HIS A 77 18.424 9.067 -18.676 1.00 0.00 C ATOM 1205 ND1 HIS A 77 17.180 9.341 -18.157 1.00 0.00 N ATOM 1206 CD2 HIS A 77 19.251 8.935 -17.614 1.00 0.00 C ATOM 1207 CE1 HIS A 77 17.250 9.376 -16.841 1.00 0.00 C ATOM 1208 NE2 HIS A 77 18.497 9.131 -16.484 1.00 0.00 N ATOM 0 H HIS A 77 19.572 6.511 -20.088 1.00 0.00 H new ATOM 0 HA HIS A 77 16.955 7.747 -20.595 1.00 0.00 H new ATOM 0 HB2 HIS A 77 19.769 8.894 -20.303 1.00 0.00 H new ATOM 0 HB3 HIS A 77 18.345 9.860 -20.638 1.00 0.00 H new ATOM 0 HD2 HIS A 77 20.308 8.716 -17.649 1.00 0.00 H new ATOM 0 HE1 HIS A 77 16.427 9.572 -16.169 1.00 0.00 H new ATOM 0 HE2 HIS A 77 18.843 9.093 -15.525 1.00 0.00 H new ATOM 1217 N HIS A 78 18.585 6.720 -22.922 1.00 0.00 N ATOM 1218 CA HIS A 78 18.775 6.673 -24.364 1.00 0.00 C ATOM 1219 C HIS A 78 18.472 5.285 -24.893 1.00 0.00 C ATOM 1220 O HIS A 78 18.414 4.321 -24.131 1.00 0.00 O ATOM 1221 CB HIS A 78 20.208 7.064 -24.736 1.00 0.00 C ATOM 1222 CG HIS A 78 20.365 8.499 -25.147 1.00 0.00 C ATOM 1223 ND1 HIS A 78 20.770 9.495 -24.284 1.00 0.00 N ATOM 1224 CD2 HIS A 78 20.183 9.098 -26.347 1.00 0.00 C ATOM 1225 CE1 HIS A 78 20.826 10.643 -24.934 1.00 0.00 C ATOM 1226 NE2 HIS A 78 20.476 10.428 -26.187 1.00 0.00 N ATOM 0 H HIS A 78 18.768 5.838 -22.444 1.00 0.00 H new ATOM 0 HA HIS A 78 18.087 7.387 -24.817 1.00 0.00 H new ATOM 0 HB2 HIS A 78 20.859 6.868 -23.884 1.00 0.00 H new ATOM 0 HB3 HIS A 78 20.548 6.425 -25.551 1.00 0.00 H new ATOM 0 HD2 HIS A 78 19.866 8.618 -27.261 1.00 0.00 H new ATOM 0 HE1 HIS A 78 21.110 11.595 -24.511 1.00 0.00 H new ATOM 0 HE2 HIS A 78 20.431 11.137 -26.919 1.00 0.00 H new ATOM 1235 N HIS A 79 18.257 5.194 -26.192 1.00 0.00 N ATOM 1236 CA HIS A 79 18.110 3.912 -26.861 1.00 0.00 C ATOM 1237 C HIS A 79 19.442 3.528 -27.483 1.00 0.00 C ATOM 1238 O HIS A 79 19.968 2.442 -27.239 1.00 0.00 O ATOM 1239 CB HIS A 79 17.008 3.990 -27.929 1.00 0.00 C ATOM 1240 CG HIS A 79 16.941 2.796 -28.833 1.00 0.00 C ATOM 1241 ND1 HIS A 79 16.851 2.897 -30.204 1.00 0.00 N ATOM 1242 CD2 HIS A 79 16.961 1.473 -28.558 1.00 0.00 C ATOM 1243 CE1 HIS A 79 16.822 1.688 -30.730 1.00 0.00 C ATOM 1244 NE2 HIS A 79 16.888 0.806 -29.754 1.00 0.00 N ATOM 0 H HIS A 79 18.179 6.001 -26.811 1.00 0.00 H new ATOM 0 HA HIS A 79 17.818 3.150 -26.139 1.00 0.00 H new ATOM 0 HB2 HIS A 79 16.045 4.110 -27.433 1.00 0.00 H new ATOM 0 HB3 HIS A 79 17.168 4.882 -28.535 1.00 0.00 H new ATOM 0 HD2 HIS A 79 17.023 1.024 -27.578 1.00 0.00 H new ATOM 0 HE1 HIS A 79 16.755 1.460 -31.783 1.00 0.00 H new ATOM 0 HE2 HIS A 79 16.885 -0.207 -29.869 1.00 0.00 H new ATOM 1253 N HIS A 80 19.973 4.443 -28.280 1.00 0.00 N ATOM 1254 CA HIS A 80 21.280 4.288 -28.893 1.00 0.00 C ATOM 1255 C HIS A 80 21.629 5.557 -29.654 1.00 0.00 C ATOM 1256 O HIS A 80 22.167 6.489 -29.032 1.00 0.00 O ATOM 1257 CB HIS A 80 21.326 3.075 -29.837 1.00 0.00 C ATOM 1258 CG HIS A 80 22.695 2.817 -30.394 1.00 0.00 C ATOM 1259 ND1 HIS A 80 22.929 2.471 -31.705 1.00 0.00 N ATOM 1260 CD2 HIS A 80 23.909 2.867 -29.800 1.00 0.00 C ATOM 1261 CE1 HIS A 80 24.227 2.325 -31.894 1.00 0.00 C ATOM 1262 NE2 HIS A 80 24.848 2.562 -30.754 1.00 0.00 N ATOM 1263 OXT HIS A 80 21.343 5.623 -30.865 1.00 0.00 O ATOM 0 H HIS A 80 19.506 5.317 -28.520 1.00 0.00 H new ATOM 0 HA HIS A 80 22.011 4.114 -28.103 1.00 0.00 H new ATOM 0 HB2 HIS A 80 20.986 2.190 -29.299 1.00 0.00 H new ATOM 0 HB3 HIS A 80 20.629 3.235 -30.660 1.00 0.00 H new ATOM 0 HD2 HIS A 80 24.104 3.104 -28.764 1.00 0.00 H new ATOM 0 HE1 HIS A 80 24.702 2.056 -32.826 1.00 0.00 H new ATOM 0 HE2 HIS A 80 25.857 2.525 -30.606 1.00 0.00 H new TER 1272 HIS A 80 ATOM 1273 N MET B 1 3.909 -23.107 3.051 1.00 0.00 N ATOM 1274 CA MET B 1 3.680 -22.161 4.167 1.00 0.00 C ATOM 1275 C MET B 1 4.988 -21.849 4.879 1.00 0.00 C ATOM 1276 O MET B 1 5.866 -22.704 4.989 1.00 0.00 O ATOM 1277 CB MET B 1 2.681 -22.741 5.172 1.00 0.00 C ATOM 1278 CG MET B 1 1.280 -22.921 4.612 1.00 0.00 C ATOM 1279 SD MET B 1 0.125 -23.592 5.824 1.00 0.00 S ATOM 1280 CE MET B 1 -1.389 -23.636 4.868 1.00 0.00 C ATOM 0 H1 MET B 1 3.568 -22.686 2.163 1.00 0.00 H new ATOM 0 H2 MET B 1 4.926 -23.309 2.971 1.00 0.00 H new ATOM 0 H3 MET B 1 3.394 -23.991 3.234 1.00 0.00 H new ATOM 0 HA MET B 1 3.271 -21.242 3.748 1.00 0.00 H new ATOM 0 HB2 MET B 1 3.049 -23.706 5.520 1.00 0.00 H new ATOM 0 HB3 MET B 1 2.633 -22.085 6.041 1.00 0.00 H new ATOM 0 HG2 MET B 1 0.909 -21.960 4.257 1.00 0.00 H new ATOM 0 HG3 MET B 1 1.321 -23.586 3.749 1.00 0.00 H new ATOM 0 HE1 MET B 1 -2.197 -24.029 5.484 1.00 0.00 H new ATOM 0 HE2 MET B 1 -1.641 -22.628 4.539 1.00 0.00 H new ATOM 0 HE3 MET B 1 -1.251 -24.278 3.998 1.00 0.00 H new ATOM 1292 N ALA B 2 5.114 -20.622 5.353 1.00 0.00 N ATOM 1293 CA ALA B 2 6.281 -20.207 6.117 1.00 0.00 C ATOM 1294 C ALA B 2 5.855 -19.287 7.252 1.00 0.00 C ATOM 1295 O ALA B 2 5.752 -18.071 7.078 1.00 0.00 O ATOM 1296 CB ALA B 2 7.300 -19.516 5.221 1.00 0.00 C ATOM 0 H ALA B 2 4.417 -19.889 5.222 1.00 0.00 H new ATOM 0 HA ALA B 2 6.754 -21.094 6.539 1.00 0.00 H new ATOM 0 HB1 ALA B 2 8.163 -19.215 5.816 1.00 0.00 H new ATOM 0 HB2 ALA B 2 7.621 -20.203 4.438 1.00 0.00 H new ATOM 0 HB3 ALA B 2 6.847 -18.634 4.767 1.00 0.00 H new ATOM 1302 N ILE B 3 5.583 -19.875 8.407 1.00 0.00 N ATOM 1303 CA ILE B 3 5.066 -19.125 9.542 1.00 0.00 C ATOM 1304 C ILE B 3 5.793 -19.483 10.832 1.00 0.00 C ATOM 1305 O ILE B 3 6.126 -20.644 11.075 1.00 0.00 O ATOM 1306 CB ILE B 3 3.550 -19.359 9.745 1.00 0.00 C ATOM 1307 CG1 ILE B 3 3.241 -20.860 9.823 1.00 0.00 C ATOM 1308 CG2 ILE B 3 2.752 -18.699 8.630 1.00 0.00 C ATOM 1309 CD1 ILE B 3 1.783 -21.174 10.084 1.00 0.00 C ATOM 0 H ILE B 3 5.712 -20.871 8.583 1.00 0.00 H new ATOM 0 HA ILE B 3 5.238 -18.074 9.311 1.00 0.00 H new ATOM 0 HB ILE B 3 3.255 -18.902 10.690 1.00 0.00 H new ATOM 0 HG12 ILE B 3 3.542 -21.332 8.888 1.00 0.00 H new ATOM 0 HG13 ILE B 3 3.845 -21.305 10.614 1.00 0.00 H new ATOM 0 HG21 ILE B 3 1.688 -18.875 8.791 1.00 0.00 H new ATOM 0 HG22 ILE B 3 2.946 -17.626 8.629 1.00 0.00 H new ATOM 0 HG23 ILE B 3 3.049 -19.122 7.670 1.00 0.00 H new ATOM 0 HD11 ILE B 3 1.645 -22.254 10.125 1.00 0.00 H new ATOM 0 HD12 ILE B 3 1.480 -20.733 11.034 1.00 0.00 H new ATOM 0 HD13 ILE B 3 1.172 -20.761 9.281 1.00 0.00 H new ATOM 1321 N GLN B 4 6.048 -18.470 11.643 1.00 0.00 N ATOM 1322 CA GLN B 4 6.623 -18.663 12.964 1.00 0.00 C ATOM 1323 C GLN B 4 5.865 -17.817 13.979 1.00 0.00 C ATOM 1324 O GLN B 4 5.845 -18.124 15.174 1.00 0.00 O ATOM 1325 CB GLN B 4 8.105 -18.285 12.967 1.00 0.00 C ATOM 1326 CG GLN B 4 8.802 -18.591 14.283 1.00 0.00 C ATOM 1327 CD GLN B 4 10.213 -18.051 14.339 1.00 0.00 C ATOM 1328 OE1 GLN B 4 10.523 -17.024 13.735 1.00 0.00 O ATOM 1329 NE2 GLN B 4 11.083 -18.747 15.051 1.00 0.00 N ATOM 0 H GLN B 4 5.863 -17.495 11.406 1.00 0.00 H new ATOM 0 HA GLN B 4 6.538 -19.715 13.235 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.611 -18.820 12.163 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.202 -17.221 12.752 1.00 0.00 H new ATOM 0 HG2 GLN B 4 8.223 -18.166 15.103 1.00 0.00 H new ATOM 0 HG3 GLN B 4 8.825 -19.670 14.434 1.00 0.00 H new ATOM 0 HE21 GLN B 4 10.784 -19.593 15.536 1.00 0.00 H new ATOM 0 HE22 GLN B 4 12.053 -18.438 15.115 1.00 0.00 H new ATOM 1338 N SER B 5 5.234 -16.754 13.479 1.00 0.00 N ATOM 1339 CA SER B 5 4.462 -15.836 14.307 1.00 0.00 C ATOM 1340 C SER B 5 5.369 -15.108 15.295 1.00 0.00 C ATOM 1341 O SER B 5 5.077 -15.021 16.487 1.00 0.00 O ATOM 1342 CB SER B 5 3.344 -16.591 15.034 1.00 0.00 C ATOM 1343 OG SER B 5 2.534 -17.298 14.108 1.00 0.00 O ATOM 0 H SER B 5 5.246 -16.508 12.489 1.00 0.00 H new ATOM 0 HA SER B 5 4.003 -15.086 13.663 1.00 0.00 H new ATOM 0 HB2 SER B 5 3.776 -17.287 15.753 1.00 0.00 H new ATOM 0 HB3 SER B 5 2.731 -15.889 15.599 1.00 0.00 H new ATOM 0 HG SER B 5 1.827 -17.775 14.590 1.00 0.00 H new ATOM 1349 N LYS B 6 6.480 -14.585 14.779 1.00 0.00 N ATOM 1350 CA LYS B 6 7.402 -13.792 15.585 1.00 0.00 C ATOM 1351 C LYS B 6 6.715 -12.517 16.068 1.00 0.00 C ATOM 1352 O LYS B 6 6.860 -12.114 17.222 1.00 0.00 O ATOM 1353 CB LYS B 6 8.656 -13.441 14.776 1.00 0.00 C ATOM 1354 CG LYS B 6 9.643 -12.562 15.531 1.00 0.00 C ATOM 1355 CD LYS B 6 10.855 -12.217 14.679 1.00 0.00 C ATOM 1356 CE LYS B 6 11.804 -11.280 15.412 1.00 0.00 C ATOM 1357 NZ LYS B 6 12.330 -11.883 16.664 1.00 0.00 N ATOM 0 H LYS B 6 6.762 -14.697 13.805 1.00 0.00 H new ATOM 0 HA LYS B 6 7.701 -14.382 16.451 1.00 0.00 H new ATOM 0 HB2 LYS B 6 9.157 -14.363 14.480 1.00 0.00 H new ATOM 0 HB3 LYS B 6 8.356 -12.932 13.860 1.00 0.00 H new ATOM 0 HG2 LYS B 6 9.146 -11.644 15.846 1.00 0.00 H new ATOM 0 HG3 LYS B 6 9.968 -13.075 16.436 1.00 0.00 H new ATOM 0 HD2 LYS B 6 11.382 -13.131 14.408 1.00 0.00 H new ATOM 0 HD3 LYS B 6 10.527 -11.751 13.750 1.00 0.00 H new ATOM 0 HE2 LYS B 6 12.636 -11.023 14.757 1.00 0.00 H new ATOM 0 HE3 LYS B 6 11.285 -10.351 15.648 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 13.084 -11.279 17.050 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 11.561 -11.965 17.360 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 12.714 -12.828 16.460 1.00 0.00 H new ATOM 1371 N TYR B 7 5.963 -11.891 15.173 1.00 0.00 N ATOM 1372 CA TYR B 7 5.212 -10.692 15.513 1.00 0.00 C ATOM 1373 C TYR B 7 3.888 -11.072 16.157 1.00 0.00 C ATOM 1374 O TYR B 7 3.311 -12.115 15.841 1.00 0.00 O ATOM 1375 CB TYR B 7 4.940 -9.845 14.267 1.00 0.00 C ATOM 1376 CG TYR B 7 6.178 -9.444 13.505 1.00 0.00 C ATOM 1377 CD1 TYR B 7 7.109 -8.573 14.055 1.00 0.00 C ATOM 1378 CD2 TYR B 7 6.408 -9.924 12.221 1.00 0.00 C ATOM 1379 CE1 TYR B 7 8.235 -8.197 13.351 1.00 0.00 C ATOM 1380 CE2 TYR B 7 7.533 -9.555 11.512 1.00 0.00 C ATOM 1381 CZ TYR B 7 8.442 -8.689 12.079 1.00 0.00 C ATOM 1382 OH TYR B 7 9.559 -8.316 11.372 1.00 0.00 O ATOM 0 H TYR B 7 5.857 -12.195 14.205 1.00 0.00 H new ATOM 0 HA TYR B 7 5.809 -10.108 16.213 1.00 0.00 H new ATOM 0 HB2 TYR B 7 4.282 -10.402 13.600 1.00 0.00 H new ATOM 0 HB3 TYR B 7 4.403 -8.944 14.565 1.00 0.00 H new ATOM 0 HD1 TYR B 7 6.949 -8.184 15.050 1.00 0.00 H new ATOM 0 HD2 TYR B 7 5.694 -10.597 11.770 1.00 0.00 H new ATOM 0 HE1 TYR B 7 8.951 -7.521 13.794 1.00 0.00 H new ATOM 0 HE2 TYR B 7 7.700 -9.943 10.518 1.00 0.00 H new ATOM 0 HH TYR B 7 9.820 -9.041 10.767 1.00 0.00 H new ATOM 1392 N SER B 8 3.415 -10.238 17.060 1.00 0.00 N ATOM 1393 CA SER B 8 2.125 -10.458 17.686 1.00 0.00 C ATOM 1394 C SER B 8 1.018 -9.888 16.803 1.00 0.00 C ATOM 1395 O SER B 8 1.196 -8.839 16.180 1.00 0.00 O ATOM 1396 CB SER B 8 2.100 -9.804 19.063 1.00 0.00 C ATOM 1397 OG SER B 8 3.226 -10.197 19.832 1.00 0.00 O ATOM 0 H SER B 8 3.904 -9.401 17.378 1.00 0.00 H new ATOM 0 HA SER B 8 1.959 -11.529 17.806 1.00 0.00 H new ATOM 0 HB2 SER B 8 2.090 -8.719 18.955 1.00 0.00 H new ATOM 0 HB3 SER B 8 1.184 -10.081 19.585 1.00 0.00 H new ATOM 0 HG SER B 8 3.190 -9.764 20.710 1.00 0.00 H new ATOM 1403 N ASN B 9 -0.116 -10.579 16.744 1.00 0.00 N ATOM 1404 CA ASN B 9 -1.231 -10.141 15.910 1.00 0.00 C ATOM 1405 C ASN B 9 -1.702 -8.758 16.340 1.00 0.00 C ATOM 1406 O ASN B 9 -1.884 -7.864 15.512 1.00 0.00 O ATOM 1407 CB ASN B 9 -2.400 -11.129 15.995 1.00 0.00 C ATOM 1408 CG ASN B 9 -3.553 -10.731 15.090 1.00 0.00 C ATOM 1409 OD1 ASN B 9 -3.614 -11.137 13.929 1.00 0.00 O ATOM 1410 ND2 ASN B 9 -4.481 -9.944 15.617 1.00 0.00 N ATOM 0 H ASN B 9 -0.287 -11.441 17.261 1.00 0.00 H new ATOM 0 HA ASN B 9 -0.882 -10.100 14.878 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -2.052 -12.125 15.721 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -2.752 -11.186 17.025 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -5.282 -9.654 15.056 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -4.394 -9.629 16.583 1.00 0.00 H new ATOM 1417 N THR B 10 -1.882 -8.591 17.645 1.00 0.00 N ATOM 1418 CA THR B 10 -2.303 -7.318 18.202 1.00 0.00 C ATOM 1419 C THR B 10 -1.285 -6.229 17.873 1.00 0.00 C ATOM 1420 O THR B 10 -1.653 -5.116 17.511 1.00 0.00 O ATOM 1421 CB THR B 10 -2.488 -7.426 19.728 1.00 0.00 C ATOM 1422 OG1 THR B 10 -3.360 -8.525 20.030 1.00 0.00 O ATOM 1423 CG2 THR B 10 -3.068 -6.143 20.303 1.00 0.00 C ATOM 0 H THR B 10 -1.741 -9.327 18.337 1.00 0.00 H new ATOM 0 HA THR B 10 -3.260 -7.051 17.754 1.00 0.00 H new ATOM 0 HB THR B 10 -1.510 -7.592 20.180 1.00 0.00 H new ATOM 0 HG1 THR B 10 -3.476 -8.594 21.001 1.00 0.00 H new ATOM 0 HG21 THR B 10 -3.187 -6.249 21.381 1.00 0.00 H new ATOM 0 HG22 THR B 10 -2.394 -5.313 20.092 1.00 0.00 H new ATOM 0 HG23 THR B 10 -4.039 -5.947 19.848 1.00 0.00 H new ATOM 1431 N GLN B 11 -0.005 -6.576 17.975 1.00 0.00 N ATOM 1432 CA GLN B 11 1.084 -5.654 17.656 1.00 0.00 C ATOM 1433 C GLN B 11 0.938 -5.089 16.244 1.00 0.00 C ATOM 1434 O GLN B 11 0.962 -3.874 16.049 1.00 0.00 O ATOM 1435 CB GLN B 11 2.427 -6.374 17.789 1.00 0.00 C ATOM 1436 CG GLN B 11 3.627 -5.546 17.355 1.00 0.00 C ATOM 1437 CD GLN B 11 4.925 -6.316 17.478 1.00 0.00 C ATOM 1438 OE1 GLN B 11 5.358 -6.980 16.541 1.00 0.00 O ATOM 1439 NE2 GLN B 11 5.548 -6.244 18.642 1.00 0.00 N ATOM 0 H GLN B 11 0.307 -7.498 18.279 1.00 0.00 H new ATOM 0 HA GLN B 11 1.041 -4.823 18.360 1.00 0.00 H new ATOM 0 HB2 GLN B 11 2.564 -6.674 18.828 1.00 0.00 H new ATOM 0 HB3 GLN B 11 2.397 -7.287 17.195 1.00 0.00 H new ATOM 0 HG2 GLN B 11 3.492 -5.227 16.322 1.00 0.00 H new ATOM 0 HG3 GLN B 11 3.683 -4.643 17.963 1.00 0.00 H new ATOM 0 HE21 GLN B 11 5.156 -5.681 19.397 1.00 0.00 H new ATOM 0 HE22 GLN B 11 6.421 -6.752 18.785 1.00 0.00 H new ATOM 1448 N VAL B 12 0.771 -5.977 15.269 1.00 0.00 N ATOM 1449 CA VAL B 12 0.664 -5.570 13.871 1.00 0.00 C ATOM 1450 C VAL B 12 -0.542 -4.657 13.657 1.00 0.00 C ATOM 1451 O VAL B 12 -0.427 -3.600 13.040 1.00 0.00 O ATOM 1452 CB VAL B 12 0.549 -6.789 12.928 1.00 0.00 C ATOM 1453 CG1 VAL B 12 0.504 -6.346 11.471 1.00 0.00 C ATOM 1454 CG2 VAL B 12 1.698 -7.761 13.153 1.00 0.00 C ATOM 0 H VAL B 12 0.707 -6.984 15.421 1.00 0.00 H new ATOM 0 HA VAL B 12 1.578 -5.027 13.631 1.00 0.00 H new ATOM 0 HB VAL B 12 -0.384 -7.303 13.159 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.423 -7.222 10.827 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -0.359 -5.699 11.314 1.00 0.00 H new ATOM 0 HG13 VAL B 12 1.416 -5.800 11.228 1.00 0.00 H new ATOM 0 HG21 VAL B 12 1.594 -8.610 12.477 1.00 0.00 H new ATOM 0 HG22 VAL B 12 2.645 -7.257 12.959 1.00 0.00 H new ATOM 0 HG23 VAL B 12 1.680 -8.114 14.184 1.00 0.00 H new ATOM 1464 N GLU B 13 -1.692 -5.056 14.190 1.00 0.00 N ATOM 1465 CA GLU B 13 -2.916 -4.288 14.000 1.00 0.00 C ATOM 1466 C GLU B 13 -2.899 -2.993 14.815 1.00 0.00 C ATOM 1467 O GLU B 13 -3.636 -2.056 14.512 1.00 0.00 O ATOM 1468 CB GLU B 13 -4.149 -5.132 14.330 1.00 0.00 C ATOM 1469 CG GLU B 13 -4.313 -6.336 13.412 1.00 0.00 C ATOM 1470 CD GLU B 13 -5.692 -6.956 13.490 1.00 0.00 C ATOM 1471 OE1 GLU B 13 -6.608 -6.460 12.801 1.00 0.00 O ATOM 1472 OE2 GLU B 13 -5.871 -7.946 14.229 1.00 0.00 O ATOM 0 H GLU B 13 -1.802 -5.900 14.752 1.00 0.00 H new ATOM 0 HA GLU B 13 -2.970 -4.010 12.947 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -4.080 -5.476 15.362 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -5.039 -4.506 14.261 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -4.115 -6.032 12.384 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -3.567 -7.088 13.671 1.00 0.00 H new ATOM 1479 N SER B 14 -2.055 -2.938 15.838 1.00 0.00 N ATOM 1480 CA SER B 14 -1.857 -1.707 16.594 1.00 0.00 C ATOM 1481 C SER B 14 -0.951 -0.761 15.819 1.00 0.00 C ATOM 1482 O SER B 14 -1.137 0.459 15.846 1.00 0.00 O ATOM 1483 CB SER B 14 -1.256 -2.000 17.967 1.00 0.00 C ATOM 1484 OG SER B 14 -2.116 -2.834 18.725 1.00 0.00 O ATOM 0 H SER B 14 -1.498 -3.729 16.163 1.00 0.00 H new ATOM 0 HA SER B 14 -2.828 -1.235 16.740 1.00 0.00 H new ATOM 0 HB2 SER B 14 -0.286 -2.482 17.849 1.00 0.00 H new ATOM 0 HB3 SER B 14 -1.085 -1.065 18.501 1.00 0.00 H new ATOM 0 HG SER B 14 -2.236 -3.689 18.260 1.00 0.00 H new ATOM 1490 N LEU B 15 0.028 -1.331 15.123 1.00 0.00 N ATOM 1491 CA LEU B 15 0.869 -0.555 14.224 1.00 0.00 C ATOM 1492 C LEU B 15 -0.004 0.075 13.149 1.00 0.00 C ATOM 1493 O LEU B 15 0.080 1.274 12.888 1.00 0.00 O ATOM 1494 CB LEU B 15 1.940 -1.445 13.583 1.00 0.00 C ATOM 1495 CG LEU B 15 2.936 -0.713 12.684 1.00 0.00 C ATOM 1496 CD1 LEU B 15 3.719 0.307 13.487 1.00 0.00 C ATOM 1497 CD2 LEU B 15 3.880 -1.698 12.017 1.00 0.00 C ATOM 0 H LEU B 15 0.256 -2.324 15.165 1.00 0.00 H new ATOM 0 HA LEU B 15 1.375 0.227 14.790 1.00 0.00 H new ATOM 0 HB2 LEU B 15 2.492 -1.951 14.375 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.444 -2.218 12.996 1.00 0.00 H new ATOM 0 HG LEU B 15 2.378 -0.192 11.906 1.00 0.00 H new ATOM 0 HD11 LEU B 15 4.424 0.821 12.834 1.00 0.00 H new ATOM 0 HD12 LEU B 15 3.032 1.033 13.921 1.00 0.00 H new ATOM 0 HD13 LEU B 15 4.264 -0.198 14.284 1.00 0.00 H new ATOM 0 HD21 LEU B 15 4.581 -1.157 11.381 1.00 0.00 H new ATOM 0 HD22 LEU B 15 4.432 -2.247 12.780 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.306 -2.398 11.410 1.00 0.00 H new ATOM 1509 N ILE B 16 -0.858 -0.752 12.553 1.00 0.00 N ATOM 1510 CA ILE B 16 -1.832 -0.297 11.571 1.00 0.00 C ATOM 1511 C ILE B 16 -2.716 0.804 12.154 1.00 0.00 C ATOM 1512 O ILE B 16 -2.996 1.801 11.490 1.00 0.00 O ATOM 1513 CB ILE B 16 -2.719 -1.472 11.093 1.00 0.00 C ATOM 1514 CG1 ILE B 16 -1.866 -2.533 10.394 1.00 0.00 C ATOM 1515 CG2 ILE B 16 -3.822 -0.980 10.166 1.00 0.00 C ATOM 1516 CD1 ILE B 16 -2.641 -3.766 9.983 1.00 0.00 C ATOM 0 H ILE B 16 -0.893 -1.754 12.738 1.00 0.00 H new ATOM 0 HA ILE B 16 -1.282 0.103 10.719 1.00 0.00 H new ATOM 0 HB ILE B 16 -3.188 -1.922 11.968 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -1.407 -2.092 9.509 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -1.055 -2.830 11.059 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -4.431 -1.825 9.844 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -4.448 -0.262 10.695 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -3.377 -0.500 9.294 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.969 -4.472 9.494 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -3.078 -4.233 10.866 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -3.435 -3.483 9.292 1.00 0.00 H new ATOM 1528 N ALA B 17 -3.127 0.620 13.406 1.00 0.00 N ATOM 1529 CA ALA B 17 -3.995 1.575 14.085 1.00 0.00 C ATOM 1530 C ALA B 17 -3.385 2.973 14.105 1.00 0.00 C ATOM 1531 O ALA B 17 -4.068 3.950 13.810 1.00 0.00 O ATOM 1532 CB ALA B 17 -4.300 1.108 15.501 1.00 0.00 C ATOM 0 H ALA B 17 -2.870 -0.188 13.973 1.00 0.00 H new ATOM 0 HA ALA B 17 -4.928 1.628 13.524 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -4.949 1.834 15.992 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -4.800 0.140 15.465 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -3.370 1.015 16.062 1.00 0.00 H new ATOM 1538 N GLU B 18 -2.097 3.067 14.429 1.00 0.00 N ATOM 1539 CA GLU B 18 -1.428 4.364 14.481 1.00 0.00 C ATOM 1540 C GLU B 18 -1.391 4.990 13.091 1.00 0.00 C ATOM 1541 O GLU B 18 -1.600 6.195 12.937 1.00 0.00 O ATOM 1542 CB GLU B 18 -0.008 4.238 15.036 1.00 0.00 C ATOM 1543 CG GLU B 18 0.666 5.585 15.265 1.00 0.00 C ATOM 1544 CD GLU B 18 2.080 5.455 15.789 1.00 0.00 C ATOM 1545 OE1 GLU B 18 2.258 4.914 16.900 1.00 0.00 O ATOM 1546 OE2 GLU B 18 3.023 5.889 15.093 1.00 0.00 O ATOM 0 H GLU B 18 -1.502 2.270 14.657 1.00 0.00 H new ATOM 0 HA GLU B 18 -1.996 5.008 15.153 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -0.040 3.690 15.977 1.00 0.00 H new ATOM 0 HB3 GLU B 18 0.595 3.650 14.344 1.00 0.00 H new ATOM 0 HG2 GLU B 18 0.681 6.142 14.328 1.00 0.00 H new ATOM 0 HG3 GLU B 18 0.074 6.166 15.972 1.00 0.00 H new ATOM 1553 N ILE B 19 -1.148 4.159 12.083 1.00 0.00 N ATOM 1554 CA ILE B 19 -1.149 4.610 10.697 1.00 0.00 C ATOM 1555 C ILE B 19 -2.521 5.181 10.340 1.00 0.00 C ATOM 1556 O ILE B 19 -2.631 6.215 9.674 1.00 0.00 O ATOM 1557 CB ILE B 19 -0.809 3.454 9.726 1.00 0.00 C ATOM 1558 CG1 ILE B 19 0.432 2.699 10.204 1.00 0.00 C ATOM 1559 CG2 ILE B 19 -0.579 3.993 8.325 1.00 0.00 C ATOM 1560 CD1 ILE B 19 0.761 1.475 9.377 1.00 0.00 C ATOM 0 H ILE B 19 -0.947 3.166 12.201 1.00 0.00 H new ATOM 0 HA ILE B 19 -0.385 5.381 10.596 1.00 0.00 H new ATOM 0 HB ILE B 19 -1.652 2.764 9.706 1.00 0.00 H new ATOM 0 HG12 ILE B 19 1.286 3.376 10.188 1.00 0.00 H new ATOM 0 HG13 ILE B 19 0.284 2.396 11.241 1.00 0.00 H new ATOM 0 HG21 ILE B 19 -0.341 3.169 7.653 1.00 0.00 H new ATOM 0 HG22 ILE B 19 -1.481 4.497 7.976 1.00 0.00 H new ATOM 0 HG23 ILE B 19 0.250 4.701 8.339 1.00 0.00 H new ATOM 0 HD11 ILE B 19 1.653 0.994 9.778 1.00 0.00 H new ATOM 0 HD12 ILE B 19 -0.075 0.776 9.412 1.00 0.00 H new ATOM 0 HD13 ILE B 19 0.942 1.772 8.344 1.00 0.00 H new ATOM 1572 N LEU B 20 -3.563 4.510 10.816 1.00 0.00 N ATOM 1573 CA LEU B 20 -4.933 4.941 10.575 1.00 0.00 C ATOM 1574 C LEU B 20 -5.223 6.249 11.299 1.00 0.00 C ATOM 1575 O LEU B 20 -5.887 7.128 10.756 1.00 0.00 O ATOM 1576 CB LEU B 20 -5.925 3.865 11.028 1.00 0.00 C ATOM 1577 CG LEU B 20 -5.713 2.483 10.411 1.00 0.00 C ATOM 1578 CD1 LEU B 20 -6.834 1.540 10.815 1.00 0.00 C ATOM 1579 CD2 LEU B 20 -5.614 2.585 8.899 1.00 0.00 C ATOM 0 H LEU B 20 -3.483 3.660 11.374 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.051 5.101 9.503 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -5.867 3.774 12.113 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -6.934 4.201 10.790 1.00 0.00 H new ATOM 0 HG LEU B 20 -4.774 2.077 10.788 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -6.666 0.561 10.366 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -6.854 1.443 11.900 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -7.787 1.939 10.469 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -5.463 1.592 8.476 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -6.535 3.012 8.502 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -4.773 3.225 8.632 1.00 0.00 H new ATOM 1591 N VAL B 21 -4.717 6.373 12.523 1.00 0.00 N ATOM 1592 CA VAL B 21 -4.895 7.591 13.307 1.00 0.00 C ATOM 1593 C VAL B 21 -4.335 8.797 12.557 1.00 0.00 C ATOM 1594 O VAL B 21 -4.954 9.859 12.520 1.00 0.00 O ATOM 1595 CB VAL B 21 -4.224 7.485 14.698 1.00 0.00 C ATOM 1596 CG1 VAL B 21 -4.332 8.798 15.461 1.00 0.00 C ATOM 1597 CG2 VAL B 21 -4.846 6.359 15.509 1.00 0.00 C ATOM 0 H VAL B 21 -4.180 5.644 12.993 1.00 0.00 H new ATOM 0 HA VAL B 21 -5.966 7.722 13.458 1.00 0.00 H new ATOM 0 HB VAL B 21 -3.168 7.265 14.541 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -3.852 8.694 16.434 1.00 0.00 H new ATOM 0 HG12 VAL B 21 -3.839 9.589 14.896 1.00 0.00 H new ATOM 0 HG13 VAL B 21 -5.383 9.053 15.600 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -4.360 6.301 16.483 1.00 0.00 H new ATOM 0 HG22 VAL B 21 -5.910 6.553 15.645 1.00 0.00 H new ATOM 0 HG23 VAL B 21 -4.714 5.415 14.981 1.00 0.00 H new ATOM 1607 N VAL B 22 -3.173 8.618 11.941 1.00 0.00 N ATOM 1608 CA VAL B 22 -2.560 9.670 11.141 1.00 0.00 C ATOM 1609 C VAL B 22 -3.454 10.038 9.959 1.00 0.00 C ATOM 1610 O VAL B 22 -3.734 11.216 9.730 1.00 0.00 O ATOM 1611 CB VAL B 22 -1.162 9.252 10.640 1.00 0.00 C ATOM 1612 CG1 VAL B 22 -0.593 10.281 9.675 1.00 0.00 C ATOM 1613 CG2 VAL B 22 -0.228 9.059 11.822 1.00 0.00 C ATOM 0 H VAL B 22 -2.635 7.752 11.981 1.00 0.00 H new ATOM 0 HA VAL B 22 -2.444 10.545 11.781 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.257 8.309 10.101 1.00 0.00 H new ATOM 0 HG11 VAL B 22 0.393 9.959 9.339 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -1.255 10.379 8.815 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -0.508 11.244 10.178 1.00 0.00 H new ATOM 0 HG21 VAL B 22 0.758 8.764 11.462 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -0.147 9.993 12.378 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -0.624 8.281 12.475 1.00 0.00 H new ATOM 1623 N LEU B 23 -3.899 9.031 9.215 1.00 0.00 N ATOM 1624 CA LEU B 23 -4.865 9.243 8.136 1.00 0.00 C ATOM 1625 C LEU B 23 -6.078 10.036 8.632 1.00 0.00 C ATOM 1626 O LEU B 23 -6.491 11.014 8.004 1.00 0.00 O ATOM 1627 CB LEU B 23 -5.329 7.901 7.564 1.00 0.00 C ATOM 1628 CG LEU B 23 -4.240 7.067 6.885 1.00 0.00 C ATOM 1629 CD1 LEU B 23 -4.794 5.719 6.447 1.00 0.00 C ATOM 1630 CD2 LEU B 23 -3.664 7.815 5.694 1.00 0.00 C ATOM 0 H LEU B 23 -3.609 8.061 9.337 1.00 0.00 H new ATOM 0 HA LEU B 23 -4.369 9.817 7.353 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -5.764 7.312 8.371 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -6.124 8.088 6.842 1.00 0.00 H new ATOM 0 HG LEU B 23 -3.441 6.893 7.605 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -4.005 5.140 5.966 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -5.163 5.177 7.318 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -5.611 5.873 5.743 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -2.891 7.208 5.222 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -4.456 8.017 4.973 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -3.231 8.757 6.031 1.00 0.00 H new ATOM 1642 N GLU B 24 -6.626 9.610 9.769 1.00 0.00 N ATOM 1643 CA GLU B 24 -7.778 10.267 10.387 1.00 0.00 C ATOM 1644 C GLU B 24 -7.487 11.729 10.724 1.00 0.00 C ATOM 1645 O GLU B 24 -8.308 12.610 10.461 1.00 0.00 O ATOM 1646 CB GLU B 24 -8.189 9.519 11.658 1.00 0.00 C ATOM 1647 CG GLU B 24 -8.880 8.192 11.394 1.00 0.00 C ATOM 1648 CD GLU B 24 -10.263 8.379 10.811 1.00 0.00 C ATOM 1649 OE1 GLU B 24 -11.209 8.613 11.589 1.00 0.00 O ATOM 1650 OE2 GLU B 24 -10.415 8.306 9.578 1.00 0.00 O ATOM 0 H GLU B 24 -6.285 8.801 10.288 1.00 0.00 H new ATOM 0 HA GLU B 24 -8.594 10.245 9.664 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -7.302 9.341 12.266 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -8.854 10.154 12.243 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -8.275 7.598 10.709 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -8.952 7.629 12.325 1.00 0.00 H new ATOM 1657 N LYS B 25 -6.321 11.982 11.305 1.00 0.00 N ATOM 1658 CA LYS B 25 -5.936 13.334 11.707 1.00 0.00 C ATOM 1659 C LYS B 25 -5.771 14.252 10.502 1.00 0.00 C ATOM 1660 O LYS B 25 -5.952 15.464 10.601 1.00 0.00 O ATOM 1661 CB LYS B 25 -4.641 13.305 12.520 1.00 0.00 C ATOM 1662 CG LYS B 25 -4.810 12.698 13.899 1.00 0.00 C ATOM 1663 CD LYS B 25 -3.513 12.728 14.689 1.00 0.00 C ATOM 1664 CE LYS B 25 -3.733 12.296 16.129 1.00 0.00 C ATOM 1665 NZ LYS B 25 -4.681 13.199 16.833 1.00 0.00 N ATOM 0 H LYS B 25 -5.622 11.268 11.510 1.00 0.00 H new ATOM 0 HA LYS B 25 -6.740 13.730 12.328 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -3.889 12.738 11.971 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -4.262 14.322 12.623 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -5.581 13.243 14.444 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -5.154 11.668 13.804 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -2.782 12.071 14.218 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -3.096 13.735 14.669 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -4.118 11.277 16.149 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -2.779 12.287 16.656 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -4.545 13.112 17.860 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -4.505 14.182 16.542 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -5.657 12.936 16.589 1.00 0.00 H new ATOM 1679 N HIS B 26 -5.429 13.673 9.362 1.00 0.00 N ATOM 1680 CA HIS B 26 -5.251 14.453 8.146 1.00 0.00 C ATOM 1681 C HIS B 26 -6.551 14.549 7.360 1.00 0.00 C ATOM 1682 O HIS B 26 -6.612 15.243 6.343 1.00 0.00 O ATOM 1683 CB HIS B 26 -4.148 13.860 7.266 1.00 0.00 C ATOM 1684 CG HIS B 26 -2.764 14.130 7.773 1.00 0.00 C ATOM 1685 ND1 HIS B 26 -2.062 15.267 7.452 1.00 0.00 N ATOM 1686 CD2 HIS B 26 -1.950 13.404 8.574 1.00 0.00 C ATOM 1687 CE1 HIS B 26 -0.876 15.230 8.028 1.00 0.00 C ATOM 1688 NE2 HIS B 26 -0.782 14.109 8.716 1.00 0.00 N ATOM 0 H HIS B 26 -5.270 12.671 9.252 1.00 0.00 H new ATOM 0 HA HIS B 26 -4.952 15.458 8.445 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -4.295 12.782 7.191 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -4.242 14.265 6.258 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -2.178 12.447 9.019 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -0.112 15.989 7.949 1.00 0.00 H new ATOM 0 HE2 HIS B 26 0.026 13.815 9.264 1.00 0.00 H new ATOM 1697 N LYS B 27 -7.584 13.852 7.844 1.00 0.00 N ATOM 1698 CA LYS B 27 -8.895 13.833 7.194 1.00 0.00 C ATOM 1699 C LYS B 27 -8.761 13.421 5.732 1.00 0.00 C ATOM 1700 O LYS B 27 -9.443 13.955 4.855 1.00 0.00 O ATOM 1701 CB LYS B 27 -9.569 15.205 7.298 1.00 0.00 C ATOM 1702 CG LYS B 27 -9.919 15.609 8.722 1.00 0.00 C ATOM 1703 CD LYS B 27 -10.576 16.985 8.787 1.00 0.00 C ATOM 1704 CE LYS B 27 -12.017 16.980 8.274 1.00 0.00 C ATOM 1705 NZ LYS B 27 -12.109 16.803 6.798 1.00 0.00 N ATOM 0 H LYS B 27 -7.534 13.289 8.693 1.00 0.00 H new ATOM 0 HA LYS B 27 -9.519 13.101 7.707 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -8.908 15.958 6.868 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -10.479 15.199 6.698 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -10.591 14.867 9.153 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -9.014 15.611 9.330 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -10.564 17.340 9.818 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -9.989 17.691 8.200 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -12.569 16.179 8.765 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -12.499 17.917 8.553 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -12.843 17.434 6.418 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -11.193 17.035 6.363 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -12.355 15.816 6.581 1.00 0.00 H new ATOM 1719 N ALA B 28 -7.888 12.457 5.483 1.00 0.00 N ATOM 1720 CA ALA B 28 -7.601 12.016 4.130 1.00 0.00 C ATOM 1721 C ALA B 28 -8.719 11.130 3.594 1.00 0.00 C ATOM 1722 O ALA B 28 -9.048 10.104 4.195 1.00 0.00 O ATOM 1723 CB ALA B 28 -6.275 11.274 4.088 1.00 0.00 C ATOM 0 H ALA B 28 -7.364 11.964 6.206 1.00 0.00 H new ATOM 0 HA ALA B 28 -7.533 12.898 3.493 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -6.072 10.949 3.068 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -5.477 11.936 4.423 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -6.324 10.404 4.743 1.00 0.00 H new ATOM 1729 N PRO B 29 -9.331 11.530 2.469 1.00 0.00 N ATOM 1730 CA PRO B 29 -10.360 10.732 1.803 1.00 0.00 C ATOM 1731 C PRO B 29 -9.773 9.485 1.151 1.00 0.00 C ATOM 1732 O PRO B 29 -8.551 9.328 1.079 1.00 0.00 O ATOM 1733 CB PRO B 29 -10.925 11.682 0.745 1.00 0.00 C ATOM 1734 CG PRO B 29 -9.825 12.648 0.474 1.00 0.00 C ATOM 1735 CD PRO B 29 -9.077 12.802 1.770 1.00 0.00 C ATOM 0 HA PRO B 29 -11.115 10.366 2.499 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -11.210 11.143 -0.159 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -11.818 12.191 1.107 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -9.168 12.280 -0.314 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -10.221 13.606 0.137 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -8.012 12.961 1.602 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -9.440 13.655 2.344 1.00 0.00 H new ATOM 1743 N THR B 30 -10.645 8.611 0.664 1.00 0.00 N ATOM 1744 CA THR B 30 -10.227 7.330 0.108 1.00 0.00 C ATOM 1745 C THR B 30 -9.213 7.501 -1.032 1.00 0.00 C ATOM 1746 O THR B 30 -8.205 6.791 -1.085 1.00 0.00 O ATOM 1747 CB THR B 30 -11.447 6.531 -0.391 1.00 0.00 C ATOM 1748 OG1 THR B 30 -12.458 6.513 0.633 1.00 0.00 O ATOM 1749 CG2 THR B 30 -11.059 5.103 -0.749 1.00 0.00 C ATOM 0 H THR B 30 -11.653 8.768 0.643 1.00 0.00 H new ATOM 0 HA THR B 30 -9.738 6.777 0.910 1.00 0.00 H new ATOM 0 HB THR B 30 -11.833 7.015 -1.288 1.00 0.00 H new ATOM 0 HG1 THR B 30 -13.235 6.007 0.317 1.00 0.00 H new ATOM 0 HG21 THR B 30 -11.939 4.563 -1.098 1.00 0.00 H new ATOM 0 HG22 THR B 30 -10.306 5.117 -1.537 1.00 0.00 H new ATOM 0 HG23 THR B 30 -10.653 4.605 0.131 1.00 0.00 H new ATOM 1757 N ASP B 31 -9.464 8.453 -1.926 1.00 0.00 N ATOM 1758 CA ASP B 31 -8.553 8.710 -3.041 1.00 0.00 C ATOM 1759 C ASP B 31 -7.176 9.123 -2.531 1.00 0.00 C ATOM 1760 O ASP B 31 -6.163 8.560 -2.941 1.00 0.00 O ATOM 1761 CB ASP B 31 -9.118 9.777 -3.997 1.00 0.00 C ATOM 1762 CG ASP B 31 -9.518 11.066 -3.303 1.00 0.00 C ATOM 1763 OD1 ASP B 31 -10.484 11.044 -2.511 1.00 0.00 O ATOM 1764 OD2 ASP B 31 -8.889 12.113 -3.561 1.00 0.00 O ATOM 0 H ASP B 31 -10.285 9.057 -1.902 1.00 0.00 H new ATOM 0 HA ASP B 31 -8.450 7.781 -3.602 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -8.372 10.001 -4.759 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -9.987 9.367 -4.512 1.00 0.00 H new ATOM 1769 N LEU B 32 -7.146 10.079 -1.611 1.00 0.00 N ATOM 1770 CA LEU B 32 -5.889 10.562 -1.050 1.00 0.00 C ATOM 1771 C LEU B 32 -5.156 9.447 -0.308 1.00 0.00 C ATOM 1772 O LEU B 32 -3.937 9.317 -0.424 1.00 0.00 O ATOM 1773 CB LEU B 32 -6.142 11.735 -0.099 1.00 0.00 C ATOM 1774 CG LEU B 32 -5.265 12.971 -0.330 1.00 0.00 C ATOM 1775 CD1 LEU B 32 -3.788 12.640 -0.192 1.00 0.00 C ATOM 1776 CD2 LEU B 32 -5.540 13.563 -1.697 1.00 0.00 C ATOM 0 H LEU B 32 -7.978 10.536 -1.237 1.00 0.00 H new ATOM 0 HA LEU B 32 -5.264 10.900 -1.876 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -7.187 12.031 -0.185 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -5.992 11.390 0.924 1.00 0.00 H new ATOM 0 HG LEU B 32 -5.518 13.705 0.436 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -3.196 13.539 -0.362 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -3.592 12.261 0.811 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -3.515 11.882 -0.926 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -4.910 14.440 -1.847 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -5.320 12.822 -2.465 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -6.588 13.854 -1.763 1.00 0.00 H new ATOM 1788 N SER B 33 -5.895 8.641 0.448 1.00 0.00 N ATOM 1789 CA SER B 33 -5.285 7.566 1.217 1.00 0.00 C ATOM 1790 C SER B 33 -4.642 6.530 0.297 1.00 0.00 C ATOM 1791 O SER B 33 -3.557 6.039 0.582 1.00 0.00 O ATOM 1792 CB SER B 33 -6.305 6.919 2.162 1.00 0.00 C ATOM 1793 OG SER B 33 -7.474 6.508 1.477 1.00 0.00 O ATOM 0 H SER B 33 -6.908 8.712 0.543 1.00 0.00 H new ATOM 0 HA SER B 33 -4.494 7.997 1.831 1.00 0.00 H new ATOM 0 HB2 SER B 33 -5.850 6.058 2.652 1.00 0.00 H new ATOM 0 HB3 SER B 33 -6.574 7.627 2.946 1.00 0.00 H new ATOM 0 HG SER B 33 -7.374 6.691 0.520 1.00 0.00 H new ATOM 1799 N LEU B 34 -5.290 6.231 -0.825 1.00 0.00 N ATOM 1800 CA LEU B 34 -4.735 5.286 -1.787 1.00 0.00 C ATOM 1801 C LEU B 34 -3.458 5.849 -2.400 1.00 0.00 C ATOM 1802 O LEU B 34 -2.474 5.131 -2.587 1.00 0.00 O ATOM 1803 CB LEU B 34 -5.753 4.973 -2.884 1.00 0.00 C ATOM 1804 CG LEU B 34 -7.013 4.239 -2.416 1.00 0.00 C ATOM 1805 CD1 LEU B 34 -7.996 4.091 -3.565 1.00 0.00 C ATOM 1806 CD2 LEU B 34 -6.659 2.877 -1.837 1.00 0.00 C ATOM 0 H LEU B 34 -6.193 6.626 -1.089 1.00 0.00 H new ATOM 0 HA LEU B 34 -4.497 4.360 -1.263 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.052 5.908 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.264 4.370 -3.649 1.00 0.00 H new ATOM 0 HG LEU B 34 -7.484 4.830 -1.631 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -8.886 3.567 -3.217 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -8.276 5.078 -3.934 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -7.532 3.521 -4.370 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -7.569 2.373 -1.511 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -6.164 2.275 -2.599 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.991 3.006 -0.986 1.00 0.00 H new ATOM 1818 N MET B 35 -3.478 7.144 -2.694 1.00 0.00 N ATOM 1819 CA MET B 35 -2.316 7.829 -3.250 1.00 0.00 C ATOM 1820 C MET B 35 -1.157 7.821 -2.256 1.00 0.00 C ATOM 1821 O MET B 35 -0.002 7.597 -2.630 1.00 0.00 O ATOM 1822 CB MET B 35 -2.685 9.270 -3.614 1.00 0.00 C ATOM 1823 CG MET B 35 -3.743 9.372 -4.700 1.00 0.00 C ATOM 1824 SD MET B 35 -4.392 11.044 -4.892 1.00 0.00 S ATOM 1825 CE MET B 35 -2.915 11.947 -5.339 1.00 0.00 C ATOM 0 H MET B 35 -4.291 7.744 -2.556 1.00 0.00 H new ATOM 0 HA MET B 35 -2.001 7.301 -4.150 1.00 0.00 H new ATOM 0 HB2 MET B 35 -3.043 9.781 -2.720 1.00 0.00 H new ATOM 0 HB3 MET B 35 -1.787 9.794 -3.943 1.00 0.00 H new ATOM 0 HG2 MET B 35 -3.317 9.042 -5.647 1.00 0.00 H new ATOM 0 HG3 MET B 35 -4.564 8.694 -4.466 1.00 0.00 H new ATOM 0 HE1 MET B 35 -3.188 12.946 -5.678 1.00 0.00 H new ATOM 0 HE2 MET B 35 -2.260 12.025 -4.472 1.00 0.00 H new ATOM 0 HE3 MET B 35 -2.396 11.421 -6.140 1.00 0.00 H new ATOM 1835 N ALA B 36 -1.476 8.060 -0.990 1.00 0.00 N ATOM 1836 CA ALA B 36 -0.479 8.061 0.069 1.00 0.00 C ATOM 1837 C ALA B 36 0.070 6.657 0.315 1.00 0.00 C ATOM 1838 O ALA B 36 1.284 6.453 0.327 1.00 0.00 O ATOM 1839 CB ALA B 36 -1.073 8.632 1.349 1.00 0.00 C ATOM 0 H ALA B 36 -2.425 8.257 -0.672 1.00 0.00 H new ATOM 0 HA ALA B 36 0.351 8.692 -0.248 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.317 8.628 2.134 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -1.406 9.655 1.171 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -1.922 8.023 1.659 1.00 0.00 H new ATOM 1845 N LEU B 37 -0.832 5.696 0.491 1.00 0.00 N ATOM 1846 CA LEU B 37 -0.452 4.307 0.753 1.00 0.00 C ATOM 1847 C LEU B 37 0.423 3.752 -0.367 1.00 0.00 C ATOM 1848 O LEU B 37 1.426 3.089 -0.105 1.00 0.00 O ATOM 1849 CB LEU B 37 -1.703 3.431 0.925 1.00 0.00 C ATOM 1850 CG LEU B 37 -2.215 3.260 2.365 1.00 0.00 C ATOM 1851 CD1 LEU B 37 -1.233 2.445 3.186 1.00 0.00 C ATOM 1852 CD2 LEU B 37 -2.458 4.606 3.031 1.00 0.00 C ATOM 0 H LEU B 37 -1.839 5.853 0.457 1.00 0.00 H new ATOM 0 HA LEU B 37 0.125 4.289 1.677 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -2.506 3.857 0.324 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -1.489 2.443 0.517 1.00 0.00 H new ATOM 0 HG LEU B 37 -3.165 2.728 2.316 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -1.612 2.334 4.202 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -1.111 1.460 2.735 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -0.270 2.954 3.212 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -2.819 4.449 4.047 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -1.526 5.171 3.060 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -3.203 5.164 2.463 1.00 0.00 H new ATOM 1864 N GLY B 38 0.046 4.041 -1.609 1.00 0.00 N ATOM 1865 CA GLY B 38 0.800 3.555 -2.753 1.00 0.00 C ATOM 1866 C GLY B 38 2.249 3.995 -2.732 1.00 0.00 C ATOM 1867 O GLY B 38 3.158 3.176 -2.881 1.00 0.00 O ATOM 0 H GLY B 38 -0.771 4.605 -1.845 1.00 0.00 H new ATOM 0 HA2 GLY B 38 0.756 2.466 -2.775 1.00 0.00 H new ATOM 0 HA3 GLY B 38 0.330 3.911 -3.670 1.00 0.00 H new ATOM 1871 N ASN B 39 2.473 5.285 -2.528 1.00 0.00 N ATOM 1872 CA ASN B 39 3.825 5.824 -2.512 1.00 0.00 C ATOM 1873 C ASN B 39 4.571 5.382 -1.263 1.00 0.00 C ATOM 1874 O ASN B 39 5.792 5.239 -1.282 1.00 0.00 O ATOM 1875 CB ASN B 39 3.807 7.350 -2.605 1.00 0.00 C ATOM 1876 CG ASN B 39 3.514 7.842 -4.012 1.00 0.00 C ATOM 1877 OD1 ASN B 39 4.424 8.011 -4.821 1.00 0.00 O ATOM 1878 ND2 ASN B 39 2.246 8.079 -4.315 1.00 0.00 N ATOM 0 H ASN B 39 1.739 5.976 -2.372 1.00 0.00 H new ATOM 0 HA ASN B 39 4.348 5.432 -3.384 1.00 0.00 H new ATOM 0 HB2 ASN B 39 3.055 7.744 -1.922 1.00 0.00 H new ATOM 0 HB3 ASN B 39 4.770 7.742 -2.279 1.00 0.00 H new ATOM 0 HD21 ASN B 39 1.998 8.413 -5.246 1.00 0.00 H new ATOM 0 HD22 ASN B 39 1.518 7.927 -3.617 1.00 0.00 H new ATOM 1885 N CYS B 40 3.832 5.156 -0.183 1.00 0.00 N ATOM 1886 CA CYS B 40 4.423 4.690 1.064 1.00 0.00 C ATOM 1887 C CYS B 40 5.038 3.302 0.877 1.00 0.00 C ATOM 1888 O CYS B 40 6.196 3.075 1.232 1.00 0.00 O ATOM 1889 CB CYS B 40 3.370 4.662 2.175 1.00 0.00 C ATOM 1890 SG CYS B 40 4.019 4.210 3.801 1.00 0.00 S ATOM 0 H CYS B 40 2.821 5.288 -0.147 1.00 0.00 H new ATOM 0 HA CYS B 40 5.214 5.383 1.353 1.00 0.00 H new ATOM 0 HB2 CYS B 40 2.904 5.645 2.243 1.00 0.00 H new ATOM 0 HB3 CYS B 40 2.587 3.956 1.900 1.00 0.00 H new ATOM 0 HG CYS B 40 3.109 4.420 4.705 1.00 0.00 H new ATOM 1896 N VAL B 41 4.259 2.385 0.301 1.00 0.00 N ATOM 1897 CA VAL B 41 4.725 1.022 0.042 1.00 0.00 C ATOM 1898 C VAL B 41 5.923 1.034 -0.907 1.00 0.00 C ATOM 1899 O VAL B 41 6.943 0.393 -0.649 1.00 0.00 O ATOM 1900 CB VAL B 41 3.599 0.149 -0.563 1.00 0.00 C ATOM 1901 CG1 VAL B 41 4.077 -1.275 -0.805 1.00 0.00 C ATOM 1902 CG2 VAL B 41 2.377 0.148 0.341 1.00 0.00 C ATOM 0 H VAL B 41 3.299 2.563 0.004 1.00 0.00 H new ATOM 0 HA VAL B 41 5.025 0.592 0.998 1.00 0.00 H new ATOM 0 HB VAL B 41 3.323 0.582 -1.524 1.00 0.00 H new ATOM 0 HG11 VAL B 41 3.265 -1.864 -1.230 1.00 0.00 H new ATOM 0 HG12 VAL B 41 4.918 -1.264 -1.498 1.00 0.00 H new ATOM 0 HG13 VAL B 41 4.391 -1.719 0.140 1.00 0.00 H new ATOM 0 HG21 VAL B 41 1.597 -0.471 -0.102 1.00 0.00 H new ATOM 0 HG22 VAL B 41 2.647 -0.253 1.318 1.00 0.00 H new ATOM 0 HG23 VAL B 41 2.009 1.167 0.456 1.00 0.00 H new ATOM 1912 N THR B 42 5.801 1.792 -1.991 1.00 0.00 N ATOM 1913 CA THR B 42 6.857 1.877 -2.993 1.00 0.00 C ATOM 1914 C THR B 42 8.138 2.476 -2.404 1.00 0.00 C ATOM 1915 O THR B 42 9.245 2.058 -2.746 1.00 0.00 O ATOM 1916 CB THR B 42 6.410 2.730 -4.199 1.00 0.00 C ATOM 1917 OG1 THR B 42 5.094 2.341 -4.612 1.00 0.00 O ATOM 1918 CG2 THR B 42 7.369 2.560 -5.367 1.00 0.00 C ATOM 0 H THR B 42 4.978 2.358 -2.199 1.00 0.00 H new ATOM 0 HA THR B 42 7.061 0.860 -3.326 1.00 0.00 H new ATOM 0 HB THR B 42 6.408 3.776 -3.892 1.00 0.00 H new ATOM 0 HG1 THR B 42 4.429 2.780 -4.042 1.00 0.00 H new ATOM 0 HG21 THR B 42 7.033 3.171 -6.205 1.00 0.00 H new ATOM 0 HG22 THR B 42 8.368 2.875 -5.066 1.00 0.00 H new ATOM 0 HG23 THR B 42 7.394 1.513 -5.668 1.00 0.00 H new ATOM 1926 N HIS B 43 7.986 3.442 -1.503 1.00 0.00 N ATOM 1927 CA HIS B 43 9.135 4.116 -0.909 1.00 0.00 C ATOM 1928 C HIS B 43 9.898 3.177 0.021 1.00 0.00 C ATOM 1929 O HIS B 43 11.099 3.342 0.240 1.00 0.00 O ATOM 1930 CB HIS B 43 8.692 5.370 -0.153 1.00 0.00 C ATOM 1931 CG HIS B 43 9.832 6.202 0.346 1.00 0.00 C ATOM 1932 ND1 HIS B 43 10.742 6.806 -0.495 1.00 0.00 N ATOM 1933 CD2 HIS B 43 10.206 6.531 1.603 1.00 0.00 C ATOM 1934 CE1 HIS B 43 11.626 7.472 0.225 1.00 0.00 C ATOM 1935 NE2 HIS B 43 11.320 7.321 1.500 1.00 0.00 N ATOM 0 H HIS B 43 7.081 3.775 -1.169 1.00 0.00 H new ATOM 0 HA HIS B 43 9.804 4.415 -1.716 1.00 0.00 H new ATOM 0 HB2 HIS B 43 8.069 5.978 -0.808 1.00 0.00 H new ATOM 0 HB3 HIS B 43 8.071 5.074 0.693 1.00 0.00 H new ATOM 0 HD1 HIS B 43 10.734 6.748 -1.513 1.00 0.00 H new ATOM 0 HD2 HIS B 43 9.718 6.228 2.517 1.00 0.00 H new ATOM 0 HE1 HIS B 43 12.457 8.042 -0.163 1.00 0.00 H new ATOM 1944 N LEU B 44 9.200 2.190 0.567 1.00 0.00 N ATOM 1945 CA LEU B 44 9.840 1.175 1.391 1.00 0.00 C ATOM 1946 C LEU B 44 10.790 0.348 0.535 1.00 0.00 C ATOM 1947 O LEU B 44 11.886 -0.015 0.970 1.00 0.00 O ATOM 1948 CB LEU B 44 8.791 0.277 2.051 1.00 0.00 C ATOM 1949 CG LEU B 44 7.861 0.987 3.036 1.00 0.00 C ATOM 1950 CD1 LEU B 44 6.792 0.030 3.536 1.00 0.00 C ATOM 1951 CD2 LEU B 44 8.659 1.553 4.201 1.00 0.00 C ATOM 0 H LEU B 44 8.193 2.071 0.454 1.00 0.00 H new ATOM 0 HA LEU B 44 10.408 1.665 2.181 1.00 0.00 H new ATOM 0 HB2 LEU B 44 8.186 -0.184 1.270 1.00 0.00 H new ATOM 0 HB3 LEU B 44 9.303 -0.530 2.575 1.00 0.00 H new ATOM 0 HG LEU B 44 7.370 1.813 2.520 1.00 0.00 H new ATOM 0 HD11 LEU B 44 6.138 0.549 4.236 1.00 0.00 H new ATOM 0 HD12 LEU B 44 6.205 -0.333 2.692 1.00 0.00 H new ATOM 0 HD13 LEU B 44 7.265 -0.813 4.039 1.00 0.00 H new ATOM 0 HD21 LEU B 44 7.984 2.056 4.894 1.00 0.00 H new ATOM 0 HD22 LEU B 44 9.173 0.743 4.718 1.00 0.00 H new ATOM 0 HD23 LEU B 44 9.393 2.267 3.827 1.00 0.00 H new ATOM 1963 N LEU B 45 10.370 0.092 -0.701 1.00 0.00 N ATOM 1964 CA LEU B 45 11.187 -0.637 -1.664 1.00 0.00 C ATOM 1965 C LEU B 45 12.447 0.149 -2.000 1.00 0.00 C ATOM 1966 O LEU B 45 13.517 -0.423 -2.168 1.00 0.00 O ATOM 1967 CB LEU B 45 10.393 -0.902 -2.945 1.00 0.00 C ATOM 1968 CG LEU B 45 9.153 -1.779 -2.779 1.00 0.00 C ATOM 1969 CD1 LEU B 45 8.386 -1.871 -4.090 1.00 0.00 C ATOM 1970 CD2 LEU B 45 9.551 -3.161 -2.295 1.00 0.00 C ATOM 0 H LEU B 45 9.461 0.382 -1.060 1.00 0.00 H new ATOM 0 HA LEU B 45 11.471 -1.589 -1.215 1.00 0.00 H new ATOM 0 HB2 LEU B 45 10.086 0.055 -3.366 1.00 0.00 H new ATOM 0 HB3 LEU B 45 11.055 -1.373 -3.672 1.00 0.00 H new ATOM 0 HG LEU B 45 8.501 -1.324 -2.033 1.00 0.00 H new ATOM 0 HD11 LEU B 45 7.506 -2.499 -3.953 1.00 0.00 H new ATOM 0 HD12 LEU B 45 8.075 -0.873 -4.400 1.00 0.00 H new ATOM 0 HD13 LEU B 45 9.027 -2.306 -4.857 1.00 0.00 H new ATOM 0 HD21 LEU B 45 8.659 -3.777 -2.180 1.00 0.00 H new ATOM 0 HD22 LEU B 45 10.220 -3.622 -3.022 1.00 0.00 H new ATOM 0 HD23 LEU B 45 10.060 -3.078 -1.335 1.00 0.00 H new ATOM 1982 N GLU B 46 12.309 1.466 -2.085 1.00 0.00 N ATOM 1983 CA GLU B 46 13.429 2.336 -2.426 1.00 0.00 C ATOM 1984 C GLU B 46 14.538 2.258 -1.384 1.00 0.00 C ATOM 1985 O GLU B 46 15.720 2.361 -1.711 1.00 0.00 O ATOM 1986 CB GLU B 46 12.970 3.789 -2.547 1.00 0.00 C ATOM 1987 CG GLU B 46 11.898 4.025 -3.594 1.00 0.00 C ATOM 1988 CD GLU B 46 11.629 5.500 -3.812 1.00 0.00 C ATOM 1989 OE1 GLU B 46 10.778 6.070 -3.094 1.00 0.00 O ATOM 1990 OE2 GLU B 46 12.277 6.096 -4.698 1.00 0.00 O ATOM 0 H GLU B 46 11.430 1.957 -1.922 1.00 0.00 H new ATOM 0 HA GLU B 46 13.818 1.990 -3.384 1.00 0.00 H new ATOM 0 HB2 GLU B 46 12.594 4.120 -1.579 1.00 0.00 H new ATOM 0 HB3 GLU B 46 13.833 4.411 -2.783 1.00 0.00 H new ATOM 0 HG2 GLU B 46 12.205 3.570 -4.536 1.00 0.00 H new ATOM 0 HG3 GLU B 46 10.977 3.530 -3.287 1.00 0.00 H new ATOM 1997 N ARG B 47 14.158 2.071 -0.130 1.00 0.00 N ATOM 1998 CA ARG B 47 15.111 2.159 0.964 1.00 0.00 C ATOM 1999 C ARG B 47 15.672 0.793 1.363 1.00 0.00 C ATOM 2000 O ARG B 47 16.872 0.662 1.608 1.00 0.00 O ATOM 2001 CB ARG B 47 14.458 2.833 2.175 1.00 0.00 C ATOM 2002 CG ARG B 47 15.413 3.053 3.337 1.00 0.00 C ATOM 2003 CD ARG B 47 14.787 3.895 4.438 1.00 0.00 C ATOM 2004 NE ARG B 47 13.603 3.265 5.031 1.00 0.00 N ATOM 2005 CZ ARG B 47 13.097 3.619 6.217 1.00 0.00 C ATOM 2006 NH1 ARG B 47 13.677 4.569 6.933 1.00 0.00 N ATOM 2007 NH2 ARG B 47 12.013 3.020 6.697 1.00 0.00 N ATOM 0 H ARG B 47 13.202 1.858 0.154 1.00 0.00 H new ATOM 0 HA ARG B 47 15.949 2.761 0.614 1.00 0.00 H new ATOM 0 HB2 ARG B 47 14.046 3.794 1.867 1.00 0.00 H new ATOM 0 HB3 ARG B 47 13.622 2.221 2.514 1.00 0.00 H new ATOM 0 HG2 ARG B 47 15.715 2.089 3.746 1.00 0.00 H new ATOM 0 HG3 ARG B 47 16.317 3.543 2.975 1.00 0.00 H new ATOM 0 HD2 ARG B 47 15.527 4.073 5.218 1.00 0.00 H new ATOM 0 HD3 ARG B 47 14.510 4.868 4.032 1.00 0.00 H new ATOM 0 HE ARG B 47 13.142 2.518 4.512 1.00 0.00 H new ATOM 0 HH11 ARG B 47 14.513 5.034 6.581 1.00 0.00 H new ATOM 0 HH12 ARG B 47 13.288 4.836 7.837 1.00 0.00 H new ATOM 0 HH21 ARG B 47 11.558 2.282 6.160 1.00 0.00 H new ATOM 0 HH22 ARG B 47 11.636 3.298 7.603 1.00 0.00 H new ATOM 2021 N LYS B 48 14.819 -0.222 1.424 1.00 0.00 N ATOM 2022 CA LYS B 48 15.235 -1.512 1.972 1.00 0.00 C ATOM 2023 C LYS B 48 15.416 -2.577 0.891 1.00 0.00 C ATOM 2024 O LYS B 48 15.876 -3.683 1.177 1.00 0.00 O ATOM 2025 CB LYS B 48 14.220 -1.991 3.014 1.00 0.00 C ATOM 2026 CG LYS B 48 14.041 -1.032 4.184 1.00 0.00 C ATOM 2027 CD LYS B 48 15.355 -0.777 4.907 1.00 0.00 C ATOM 2028 CE LYS B 48 15.193 0.234 6.034 1.00 0.00 C ATOM 2029 NZ LYS B 48 16.488 0.529 6.705 1.00 0.00 N ATOM 0 H LYS B 48 13.850 -0.182 1.107 1.00 0.00 H new ATOM 0 HA LYS B 48 16.207 -1.363 2.443 1.00 0.00 H new ATOM 0 HB2 LYS B 48 13.256 -2.139 2.527 1.00 0.00 H new ATOM 0 HB3 LYS B 48 14.537 -2.961 3.397 1.00 0.00 H new ATOM 0 HG2 LYS B 48 13.635 -0.087 3.822 1.00 0.00 H new ATOM 0 HG3 LYS B 48 13.314 -1.443 4.884 1.00 0.00 H new ATOM 0 HD2 LYS B 48 15.735 -1.715 5.312 1.00 0.00 H new ATOM 0 HD3 LYS B 48 16.097 -0.413 4.196 1.00 0.00 H new ATOM 0 HE2 LYS B 48 14.772 1.157 5.636 1.00 0.00 H new ATOM 0 HE3 LYS B 48 14.483 -0.150 6.767 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 16.335 1.221 7.466 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 16.878 -0.347 7.107 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 17.157 0.919 6.011 1.00 0.00 H new ATOM 2043 N VAL B 49 15.060 -2.252 -0.343 1.00 0.00 N ATOM 2044 CA VAL B 49 15.114 -3.225 -1.426 1.00 0.00 C ATOM 2045 C VAL B 49 15.984 -2.724 -2.586 1.00 0.00 C ATOM 2046 O VAL B 49 15.859 -1.573 -3.012 1.00 0.00 O ATOM 2047 CB VAL B 49 13.692 -3.550 -1.943 1.00 0.00 C ATOM 2048 CG1 VAL B 49 13.730 -4.629 -3.011 1.00 0.00 C ATOM 2049 CG2 VAL B 49 12.786 -3.971 -0.795 1.00 0.00 C ATOM 0 H VAL B 49 14.732 -1.327 -0.619 1.00 0.00 H new ATOM 0 HA VAL B 49 15.564 -4.133 -1.025 1.00 0.00 H new ATOM 0 HB VAL B 49 13.286 -2.644 -2.392 1.00 0.00 H new ATOM 0 HG11 VAL B 49 12.717 -4.836 -3.355 1.00 0.00 H new ATOM 0 HG12 VAL B 49 14.336 -4.289 -3.851 1.00 0.00 H new ATOM 0 HG13 VAL B 49 14.165 -5.538 -2.595 1.00 0.00 H new ATOM 0 HG21 VAL B 49 11.791 -4.195 -1.180 1.00 0.00 H new ATOM 0 HG22 VAL B 49 13.197 -4.858 -0.314 1.00 0.00 H new ATOM 0 HG23 VAL B 49 12.720 -3.162 -0.068 1.00 0.00 H new ATOM 2059 N PRO B 50 16.896 -3.578 -3.093 1.00 0.00 N ATOM 2060 CA PRO B 50 17.709 -3.270 -4.279 1.00 0.00 C ATOM 2061 C PRO B 50 16.842 -2.960 -5.501 1.00 0.00 C ATOM 2062 O PRO B 50 15.713 -3.444 -5.608 1.00 0.00 O ATOM 2063 CB PRO B 50 18.535 -4.546 -4.507 1.00 0.00 C ATOM 2064 CG PRO B 50 17.877 -5.604 -3.687 1.00 0.00 C ATOM 2065 CD PRO B 50 17.224 -4.897 -2.535 1.00 0.00 C ATOM 0 HA PRO B 50 18.326 -2.384 -4.130 1.00 0.00 H new ATOM 0 HB2 PRO B 50 18.549 -4.820 -5.562 1.00 0.00 H new ATOM 0 HB3 PRO B 50 19.571 -4.402 -4.201 1.00 0.00 H new ATOM 0 HG2 PRO B 50 17.141 -6.151 -4.276 1.00 0.00 H new ATOM 0 HG3 PRO B 50 18.607 -6.332 -3.333 1.00 0.00 H new ATOM 0 HD2 PRO B 50 16.332 -5.423 -2.193 1.00 0.00 H new ATOM 0 HD3 PRO B 50 17.895 -4.817 -1.679 1.00 0.00 H new ATOM 2073 N SER B 51 17.390 -2.176 -6.425 1.00 0.00 N ATOM 2074 CA SER B 51 16.630 -1.614 -7.541 1.00 0.00 C ATOM 2075 C SER B 51 15.872 -2.672 -8.348 1.00 0.00 C ATOM 2076 O SER B 51 14.682 -2.513 -8.624 1.00 0.00 O ATOM 2077 CB SER B 51 17.573 -0.836 -8.460 1.00 0.00 C ATOM 2078 OG SER B 51 18.324 0.116 -7.724 1.00 0.00 O ATOM 0 H SER B 51 18.375 -1.911 -6.422 1.00 0.00 H new ATOM 0 HA SER B 51 15.879 -0.950 -7.114 1.00 0.00 H new ATOM 0 HB2 SER B 51 18.248 -1.527 -8.964 1.00 0.00 H new ATOM 0 HB3 SER B 51 16.997 -0.331 -9.235 1.00 0.00 H new ATOM 0 HG SER B 51 18.922 0.601 -8.331 1.00 0.00 H new ATOM 2084 N GLU B 52 16.547 -3.755 -8.713 1.00 0.00 N ATOM 2085 CA GLU B 52 15.944 -4.774 -9.565 1.00 0.00 C ATOM 2086 C GLU B 52 14.935 -5.614 -8.784 1.00 0.00 C ATOM 2087 O GLU B 52 13.916 -6.045 -9.326 1.00 0.00 O ATOM 2088 CB GLU B 52 17.013 -5.682 -10.195 1.00 0.00 C ATOM 2089 CG GLU B 52 17.924 -6.384 -9.192 1.00 0.00 C ATOM 2090 CD GLU B 52 19.030 -5.490 -8.669 1.00 0.00 C ATOM 2091 OE1 GLU B 52 18.783 -4.723 -7.713 1.00 0.00 O ATOM 2092 OE2 GLU B 52 20.147 -5.546 -9.219 1.00 0.00 O ATOM 0 H GLU B 52 17.508 -3.951 -8.434 1.00 0.00 H new ATOM 0 HA GLU B 52 15.419 -4.256 -10.368 1.00 0.00 H new ATOM 0 HB2 GLU B 52 16.516 -6.437 -10.804 1.00 0.00 H new ATOM 0 HB3 GLU B 52 17.628 -5.084 -10.867 1.00 0.00 H new ATOM 0 HG2 GLU B 52 17.326 -6.740 -8.354 1.00 0.00 H new ATOM 0 HG3 GLU B 52 18.366 -7.262 -9.664 1.00 0.00 H new ATOM 2099 N SER B 53 15.206 -5.814 -7.501 1.00 0.00 N ATOM 2100 CA SER B 53 14.348 -6.637 -6.662 1.00 0.00 C ATOM 2101 C SER B 53 13.054 -5.895 -6.326 1.00 0.00 C ATOM 2102 O SER B 53 12.068 -6.508 -5.917 1.00 0.00 O ATOM 2103 CB SER B 53 15.085 -7.039 -5.381 1.00 0.00 C ATOM 2104 OG SER B 53 14.313 -7.941 -4.602 1.00 0.00 O ATOM 0 H SER B 53 16.013 -5.417 -7.020 1.00 0.00 H new ATOM 0 HA SER B 53 14.090 -7.542 -7.212 1.00 0.00 H new ATOM 0 HB2 SER B 53 16.038 -7.501 -5.637 1.00 0.00 H new ATOM 0 HB3 SER B 53 15.310 -6.149 -4.794 1.00 0.00 H new ATOM 0 HG SER B 53 14.809 -8.181 -3.792 1.00 0.00 H new ATOM 2110 N ARG B 54 13.063 -4.575 -6.503 1.00 0.00 N ATOM 2111 CA ARG B 54 11.882 -3.758 -6.244 1.00 0.00 C ATOM 2112 C ARG B 54 10.723 -4.189 -7.134 1.00 0.00 C ATOM 2113 O ARG B 54 9.581 -4.236 -6.690 1.00 0.00 O ATOM 2114 CB ARG B 54 12.192 -2.275 -6.460 1.00 0.00 C ATOM 2115 CG ARG B 54 13.219 -1.729 -5.486 1.00 0.00 C ATOM 2116 CD ARG B 54 13.622 -0.304 -5.822 1.00 0.00 C ATOM 2117 NE ARG B 54 14.732 0.151 -4.986 1.00 0.00 N ATOM 2118 CZ ARG B 54 15.456 1.244 -5.223 1.00 0.00 C ATOM 2119 NH1 ARG B 54 15.169 2.029 -6.255 1.00 0.00 N ATOM 2120 NH2 ARG B 54 16.465 1.554 -4.423 1.00 0.00 N ATOM 0 H ARG B 54 13.876 -4.050 -6.825 1.00 0.00 H new ATOM 0 HA ARG B 54 11.592 -3.904 -5.203 1.00 0.00 H new ATOM 0 HB2 ARG B 54 12.554 -2.131 -7.478 1.00 0.00 H new ATOM 0 HB3 ARG B 54 11.270 -1.701 -6.365 1.00 0.00 H new ATOM 0 HG2 ARG B 54 12.813 -1.762 -4.475 1.00 0.00 H new ATOM 0 HG3 ARG B 54 14.103 -2.367 -5.495 1.00 0.00 H new ATOM 0 HD2 ARG B 54 13.908 -0.244 -6.872 1.00 0.00 H new ATOM 0 HD3 ARG B 54 12.767 0.359 -5.686 1.00 0.00 H new ATOM 0 HE ARG B 54 14.968 -0.407 -4.165 1.00 0.00 H new ATOM 0 HH11 ARG B 54 14.390 1.797 -6.872 1.00 0.00 H new ATOM 0 HH12 ARG B 54 15.727 2.864 -6.431 1.00 0.00 H new ATOM 0 HH21 ARG B 54 16.687 0.956 -3.627 1.00 0.00 H new ATOM 0 HH22 ARG B 54 17.020 2.390 -4.603 1.00 0.00 H new ATOM 2134 N GLN B 55 11.028 -4.526 -8.386 1.00 0.00 N ATOM 2135 CA GLN B 55 10.002 -4.980 -9.318 1.00 0.00 C ATOM 2136 C GLN B 55 9.443 -6.328 -8.880 1.00 0.00 C ATOM 2137 O GLN B 55 8.235 -6.555 -8.925 1.00 0.00 O ATOM 2138 CB GLN B 55 10.555 -5.086 -10.742 1.00 0.00 C ATOM 2139 CG GLN B 55 11.026 -3.764 -11.321 1.00 0.00 C ATOM 2140 CD GLN B 55 11.347 -3.862 -12.801 1.00 0.00 C ATOM 2141 OE1 GLN B 55 10.743 -4.648 -13.530 1.00 0.00 O ATOM 2142 NE2 GLN B 55 12.300 -3.069 -13.253 1.00 0.00 N ATOM 0 H GLN B 55 11.970 -4.493 -8.775 1.00 0.00 H new ATOM 0 HA GLN B 55 9.200 -4.241 -9.314 1.00 0.00 H new ATOM 0 HB2 GLN B 55 11.387 -5.790 -10.746 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.783 -5.501 -11.391 1.00 0.00 H new ATOM 0 HG2 GLN B 55 10.255 -3.009 -11.168 1.00 0.00 H new ATOM 0 HG3 GLN B 55 11.912 -3.429 -10.781 1.00 0.00 H new ATOM 0 HE21 GLN B 55 12.777 -2.431 -12.616 1.00 0.00 H new ATOM 0 HE22 GLN B 55 12.559 -3.094 -14.239 1.00 0.00 H new ATOM 2151 N ALA B 56 10.332 -7.212 -8.441 1.00 0.00 N ATOM 2152 CA ALA B 56 9.937 -8.537 -7.981 1.00 0.00 C ATOM 2153 C ALA B 56 9.009 -8.443 -6.775 1.00 0.00 C ATOM 2154 O ALA B 56 7.964 -9.091 -6.729 1.00 0.00 O ATOM 2155 CB ALA B 56 11.167 -9.366 -7.643 1.00 0.00 C ATOM 0 H ALA B 56 11.335 -7.033 -8.394 1.00 0.00 H new ATOM 0 HA ALA B 56 9.393 -9.029 -8.787 1.00 0.00 H new ATOM 0 HB1 ALA B 56 10.857 -10.353 -7.301 1.00 0.00 H new ATOM 0 HB2 ALA B 56 11.792 -9.469 -8.530 1.00 0.00 H new ATOM 0 HB3 ALA B 56 11.735 -8.870 -6.855 1.00 0.00 H new ATOM 2161 N VAL B 57 9.391 -7.622 -5.804 1.00 0.00 N ATOM 2162 CA VAL B 57 8.585 -7.443 -4.606 1.00 0.00 C ATOM 2163 C VAL B 57 7.280 -6.727 -4.940 1.00 0.00 C ATOM 2164 O VAL B 57 6.233 -7.054 -4.388 1.00 0.00 O ATOM 2165 CB VAL B 57 9.339 -6.661 -3.509 1.00 0.00 C ATOM 2166 CG1 VAL B 57 8.490 -6.544 -2.249 1.00 0.00 C ATOM 2167 CG2 VAL B 57 10.668 -7.326 -3.192 1.00 0.00 C ATOM 0 H VAL B 57 10.250 -7.073 -5.824 1.00 0.00 H new ATOM 0 HA VAL B 57 8.367 -8.438 -4.219 1.00 0.00 H new ATOM 0 HB VAL B 57 9.537 -5.657 -3.885 1.00 0.00 H new ATOM 0 HG11 VAL B 57 9.041 -5.989 -1.489 1.00 0.00 H new ATOM 0 HG12 VAL B 57 7.564 -6.018 -2.482 1.00 0.00 H new ATOM 0 HG13 VAL B 57 8.257 -7.540 -1.873 1.00 0.00 H new ATOM 0 HG21 VAL B 57 11.183 -6.759 -2.417 1.00 0.00 H new ATOM 0 HG22 VAL B 57 10.492 -8.343 -2.841 1.00 0.00 H new ATOM 0 HG23 VAL B 57 11.284 -7.354 -4.091 1.00 0.00 H new ATOM 2177 N ALA B 58 7.343 -5.767 -5.862 1.00 0.00 N ATOM 2178 CA ALA B 58 6.152 -5.040 -6.292 1.00 0.00 C ATOM 2179 C ALA B 58 5.138 -5.989 -6.920 1.00 0.00 C ATOM 2180 O ALA B 58 3.959 -5.957 -6.578 1.00 0.00 O ATOM 2181 CB ALA B 58 6.521 -3.936 -7.271 1.00 0.00 C ATOM 0 H ALA B 58 8.205 -5.476 -6.324 1.00 0.00 H new ATOM 0 HA ALA B 58 5.698 -4.584 -5.412 1.00 0.00 H new ATOM 0 HB1 ALA B 58 5.619 -3.407 -7.579 1.00 0.00 H new ATOM 0 HB2 ALA B 58 7.206 -3.237 -6.790 1.00 0.00 H new ATOM 0 HB3 ALA B 58 7.003 -4.372 -8.146 1.00 0.00 H new ATOM 2187 N GLU B 59 5.613 -6.839 -7.827 1.00 0.00 N ATOM 2188 CA GLU B 59 4.764 -7.840 -8.466 1.00 0.00 C ATOM 2189 C GLU B 59 4.164 -8.786 -7.433 1.00 0.00 C ATOM 2190 O GLU B 59 2.969 -9.083 -7.467 1.00 0.00 O ATOM 2191 CB GLU B 59 5.568 -8.636 -9.495 1.00 0.00 C ATOM 2192 CG GLU B 59 5.778 -7.901 -10.807 1.00 0.00 C ATOM 2193 CD GLU B 59 4.500 -7.791 -11.610 1.00 0.00 C ATOM 2194 OE1 GLU B 59 4.217 -8.712 -12.406 1.00 0.00 O ATOM 2195 OE2 GLU B 59 3.766 -6.797 -11.445 1.00 0.00 O ATOM 0 H GLU B 59 6.585 -6.854 -8.137 1.00 0.00 H new ATOM 0 HA GLU B 59 3.950 -7.320 -8.971 1.00 0.00 H new ATOM 0 HB2 GLU B 59 6.540 -8.886 -9.069 1.00 0.00 H new ATOM 0 HB3 GLU B 59 5.056 -9.577 -9.694 1.00 0.00 H new ATOM 0 HG2 GLU B 59 6.165 -6.902 -10.604 1.00 0.00 H new ATOM 0 HG3 GLU B 59 6.532 -8.422 -11.397 1.00 0.00 H new ATOM 2202 N GLN B 60 5.001 -9.252 -6.518 1.00 0.00 N ATOM 2203 CA GLN B 60 4.563 -10.158 -5.465 1.00 0.00 C ATOM 2204 C GLN B 60 3.522 -9.486 -4.578 1.00 0.00 C ATOM 2205 O GLN B 60 2.466 -10.056 -4.302 1.00 0.00 O ATOM 2206 CB GLN B 60 5.757 -10.598 -4.624 1.00 0.00 C ATOM 2207 CG GLN B 60 5.419 -11.643 -3.575 1.00 0.00 C ATOM 2208 CD GLN B 60 6.631 -12.087 -2.776 1.00 0.00 C ATOM 2209 OE1 GLN B 60 6.709 -13.232 -2.333 1.00 0.00 O ATOM 2210 NE2 GLN B 60 7.582 -11.183 -2.584 1.00 0.00 N ATOM 0 H GLN B 60 5.993 -9.016 -6.483 1.00 0.00 H new ATOM 0 HA GLN B 60 4.110 -11.034 -5.929 1.00 0.00 H new ATOM 0 HB2 GLN B 60 6.527 -10.996 -5.285 1.00 0.00 H new ATOM 0 HB3 GLN B 60 6.182 -9.725 -4.129 1.00 0.00 H new ATOM 0 HG2 GLN B 60 4.669 -11.239 -2.895 1.00 0.00 H new ATOM 0 HG3 GLN B 60 4.973 -12.510 -4.063 1.00 0.00 H new ATOM 0 HE21 GLN B 60 7.478 -10.244 -2.969 1.00 0.00 H new ATOM 0 HE22 GLN B 60 8.417 -11.427 -2.052 1.00 0.00 H new ATOM 2219 N PHE B 61 3.825 -8.265 -4.150 1.00 0.00 N ATOM 2220 CA PHE B 61 2.932 -7.506 -3.287 1.00 0.00 C ATOM 2221 C PHE B 61 1.617 -7.229 -4.000 1.00 0.00 C ATOM 2222 O PHE B 61 0.544 -7.395 -3.424 1.00 0.00 O ATOM 2223 CB PHE B 61 3.585 -6.187 -2.860 1.00 0.00 C ATOM 2224 CG PHE B 61 2.737 -5.362 -1.931 1.00 0.00 C ATOM 2225 CD1 PHE B 61 2.699 -5.642 -0.575 1.00 0.00 C ATOM 2226 CD2 PHE B 61 1.979 -4.307 -2.415 1.00 0.00 C ATOM 2227 CE1 PHE B 61 1.923 -4.884 0.280 1.00 0.00 C ATOM 2228 CE2 PHE B 61 1.202 -3.547 -1.564 1.00 0.00 C ATOM 2229 CZ PHE B 61 1.172 -3.837 -0.215 1.00 0.00 C ATOM 0 H PHE B 61 4.689 -7.779 -4.390 1.00 0.00 H new ATOM 0 HA PHE B 61 2.732 -8.100 -2.395 1.00 0.00 H new ATOM 0 HB2 PHE B 61 4.535 -6.404 -2.373 1.00 0.00 H new ATOM 0 HB3 PHE B 61 3.810 -5.599 -3.750 1.00 0.00 H new ATOM 0 HD1 PHE B 61 3.282 -6.462 -0.182 1.00 0.00 H new ATOM 0 HD2 PHE B 61 1.997 -4.077 -3.470 1.00 0.00 H new ATOM 0 HE1 PHE B 61 1.904 -5.111 1.336 1.00 0.00 H new ATOM 0 HE2 PHE B 61 0.618 -2.726 -1.953 1.00 0.00 H new ATOM 0 HZ PHE B 61 0.562 -3.246 0.452 1.00 0.00 H new ATOM 2239 N ALA B 62 1.710 -6.825 -5.262 1.00 0.00 N ATOM 2240 CA ALA B 62 0.530 -6.511 -6.056 1.00 0.00 C ATOM 2241 C ALA B 62 -0.366 -7.733 -6.206 1.00 0.00 C ATOM 2242 O ALA B 62 -1.590 -7.626 -6.139 1.00 0.00 O ATOM 2243 CB ALA B 62 0.937 -5.977 -7.423 1.00 0.00 C ATOM 0 H ALA B 62 2.594 -6.707 -5.758 1.00 0.00 H new ATOM 0 HA ALA B 62 -0.036 -5.739 -5.534 1.00 0.00 H new ATOM 0 HB1 ALA B 62 0.044 -5.747 -8.004 1.00 0.00 H new ATOM 0 HB2 ALA B 62 1.532 -5.072 -7.298 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.527 -6.729 -7.947 1.00 0.00 H new ATOM 2249 N LYS B 63 0.244 -8.898 -6.387 1.00 0.00 N ATOM 2250 CA LYS B 63 -0.518 -10.125 -6.562 1.00 0.00 C ATOM 2251 C LYS B 63 -1.098 -10.601 -5.235 1.00 0.00 C ATOM 2252 O LYS B 63 -2.229 -11.076 -5.185 1.00 0.00 O ATOM 2253 CB LYS B 63 0.345 -11.211 -7.202 1.00 0.00 C ATOM 2254 CG LYS B 63 0.670 -10.920 -8.659 1.00 0.00 C ATOM 2255 CD LYS B 63 1.548 -11.996 -9.272 1.00 0.00 C ATOM 2256 CE LYS B 63 1.745 -11.760 -10.761 1.00 0.00 C ATOM 2257 NZ LYS B 63 2.441 -10.475 -11.044 1.00 0.00 N ATOM 0 H LYS B 63 1.257 -9.017 -6.416 1.00 0.00 H new ATOM 0 HA LYS B 63 -1.350 -9.914 -7.234 1.00 0.00 H new ATOM 0 HB2 LYS B 63 1.274 -11.310 -6.640 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -0.172 -12.168 -7.134 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -0.256 -10.840 -9.228 1.00 0.00 H new ATOM 0 HG3 LYS B 63 1.173 -9.956 -8.733 1.00 0.00 H new ATOM 0 HD2 LYS B 63 2.516 -12.008 -8.771 1.00 0.00 H new ATOM 0 HD3 LYS B 63 1.094 -12.974 -9.113 1.00 0.00 H new ATOM 0 HE2 LYS B 63 2.321 -12.583 -11.184 1.00 0.00 H new ATOM 0 HE3 LYS B 63 0.775 -11.762 -11.258 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 3.070 -10.594 -11.863 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 1.738 -9.738 -11.252 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 3.002 -10.194 -10.215 1.00 0.00 H new ATOM 2271 N ALA B 64 -0.334 -10.454 -4.160 1.00 0.00 N ATOM 2272 CA ALA B 64 -0.825 -10.790 -2.829 1.00 0.00 C ATOM 2273 C ALA B 64 -1.976 -9.864 -2.449 1.00 0.00 C ATOM 2274 O ALA B 64 -2.959 -10.281 -1.827 1.00 0.00 O ATOM 2275 CB ALA B 64 0.299 -10.694 -1.809 1.00 0.00 C ATOM 0 H ALA B 64 0.624 -10.106 -4.183 1.00 0.00 H new ATOM 0 HA ALA B 64 -1.191 -11.817 -2.837 1.00 0.00 H new ATOM 0 HB1 ALA B 64 -0.084 -10.948 -0.821 1.00 0.00 H new ATOM 0 HB2 ALA B 64 1.095 -11.388 -2.079 1.00 0.00 H new ATOM 0 HB3 ALA B 64 0.692 -9.678 -1.796 1.00 0.00 H new ATOM 2281 N LEU B 65 -1.846 -8.607 -2.845 1.00 0.00 N ATOM 2282 CA LEU B 65 -2.872 -7.606 -2.607 1.00 0.00 C ATOM 2283 C LEU B 65 -4.132 -7.957 -3.387 1.00 0.00 C ATOM 2284 O LEU B 65 -5.226 -8.022 -2.826 1.00 0.00 O ATOM 2285 CB LEU B 65 -2.363 -6.229 -3.040 1.00 0.00 C ATOM 2286 CG LEU B 65 -3.172 -5.040 -2.528 1.00 0.00 C ATOM 2287 CD1 LEU B 65 -2.895 -4.807 -1.050 1.00 0.00 C ATOM 2288 CD2 LEU B 65 -2.852 -3.797 -3.341 1.00 0.00 C ATOM 0 H LEU B 65 -1.027 -8.253 -3.340 1.00 0.00 H new ATOM 0 HA LEU B 65 -3.107 -7.584 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -1.333 -6.118 -2.701 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.346 -6.193 -4.129 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.233 -5.261 -2.644 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -3.479 -3.956 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -3.173 -5.696 -0.483 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -1.834 -4.602 -0.907 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -3.436 -2.956 -2.966 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -1.790 -3.569 -3.254 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.101 -3.973 -4.388 1.00 0.00 H new ATOM 2300 N ALA B 66 -3.962 -8.208 -4.680 1.00 0.00 N ATOM 2301 CA ALA B 66 -5.076 -8.534 -5.558 1.00 0.00 C ATOM 2302 C ALA B 66 -5.743 -9.845 -5.152 1.00 0.00 C ATOM 2303 O ALA B 66 -6.959 -9.983 -5.256 1.00 0.00 O ATOM 2304 CB ALA B 66 -4.606 -8.603 -7.002 1.00 0.00 C ATOM 0 H ALA B 66 -3.054 -8.191 -5.145 1.00 0.00 H new ATOM 0 HA ALA B 66 -5.818 -7.741 -5.464 1.00 0.00 H new ATOM 0 HB1 ALA B 66 -5.449 -8.848 -7.648 1.00 0.00 H new ATOM 0 HB2 ALA B 66 -4.191 -7.639 -7.296 1.00 0.00 H new ATOM 0 HB3 ALA B 66 -3.840 -9.372 -7.099 1.00 0.00 H new ATOM 2310 N GLN B 67 -4.944 -10.800 -4.688 1.00 0.00 N ATOM 2311 CA GLN B 67 -5.469 -12.082 -4.226 1.00 0.00 C ATOM 2312 C GLN B 67 -6.400 -11.872 -3.035 1.00 0.00 C ATOM 2313 O GLN B 67 -7.440 -12.524 -2.919 1.00 0.00 O ATOM 2314 CB GLN B 67 -4.319 -13.016 -3.843 1.00 0.00 C ATOM 2315 CG GLN B 67 -4.757 -14.441 -3.551 1.00 0.00 C ATOM 2316 CD GLN B 67 -3.594 -15.349 -3.203 1.00 0.00 C ATOM 2317 OE1 GLN B 67 -2.975 -15.953 -4.081 1.00 0.00 O ATOM 2318 NE2 GLN B 67 -3.293 -15.459 -1.918 1.00 0.00 N ATOM 0 H GLN B 67 -3.930 -10.711 -4.621 1.00 0.00 H new ATOM 0 HA GLN B 67 -6.037 -12.541 -5.035 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -3.589 -13.029 -4.652 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -3.814 -12.614 -2.965 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -5.469 -14.436 -2.726 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -5.279 -14.842 -4.420 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -3.830 -14.942 -1.222 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -2.524 -16.061 -1.624 1.00 0.00 H new ATOM 2327 N SER B 68 -6.030 -10.935 -2.171 1.00 0.00 N ATOM 2328 CA SER B 68 -6.844 -10.596 -1.012 1.00 0.00 C ATOM 2329 C SER B 68 -8.147 -9.928 -1.451 1.00 0.00 C ATOM 2330 O SER B 68 -9.180 -10.062 -0.793 1.00 0.00 O ATOM 2331 CB SER B 68 -6.056 -9.681 -0.075 1.00 0.00 C ATOM 2332 OG SER B 68 -4.826 -10.283 0.298 1.00 0.00 O ATOM 0 H SER B 68 -5.168 -10.395 -2.252 1.00 0.00 H new ATOM 0 HA SER B 68 -7.097 -11.511 -0.476 1.00 0.00 H new ATOM 0 HB2 SER B 68 -5.865 -8.727 -0.566 1.00 0.00 H new ATOM 0 HB3 SER B 68 -6.647 -9.468 0.816 1.00 0.00 H new ATOM 0 HG SER B 68 -4.209 -10.264 -0.463 1.00 0.00 H new ATOM 2338 N VAL B 69 -8.096 -9.217 -2.572 1.00 0.00 N ATOM 2339 CA VAL B 69 -9.288 -8.617 -3.158 1.00 0.00 C ATOM 2340 C VAL B 69 -10.156 -9.698 -3.794 1.00 0.00 C ATOM 2341 O VAL B 69 -11.380 -9.709 -3.632 1.00 0.00 O ATOM 2342 CB VAL B 69 -8.924 -7.558 -4.225 1.00 0.00 C ATOM 2343 CG1 VAL B 69 -10.175 -6.962 -4.855 1.00 0.00 C ATOM 2344 CG2 VAL B 69 -8.058 -6.464 -3.623 1.00 0.00 C ATOM 0 H VAL B 69 -7.238 -9.042 -3.095 1.00 0.00 H new ATOM 0 HA VAL B 69 -9.838 -8.122 -2.358 1.00 0.00 H new ATOM 0 HB VAL B 69 -8.355 -8.056 -5.010 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -9.889 -6.221 -5.601 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -10.754 -7.753 -5.332 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -10.779 -6.485 -4.083 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -7.814 -5.730 -4.391 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -8.600 -5.976 -2.813 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -7.139 -6.901 -3.233 1.00 0.00 H new ATOM 2354 N LYS B 70 -9.510 -10.629 -4.491 1.00 0.00 N ATOM 2355 CA LYS B 70 -10.203 -11.728 -5.152 1.00 0.00 C ATOM 2356 C LYS B 70 -10.831 -12.683 -4.140 1.00 0.00 C ATOM 2357 O LYS B 70 -11.645 -13.533 -4.495 1.00 0.00 O ATOM 2358 CB LYS B 70 -9.243 -12.494 -6.066 1.00 0.00 C ATOM 2359 CG LYS B 70 -8.786 -11.689 -7.277 1.00 0.00 C ATOM 2360 CD LYS B 70 -7.706 -12.401 -8.090 1.00 0.00 C ATOM 2361 CE LYS B 70 -8.240 -13.612 -8.854 1.00 0.00 C ATOM 2362 NZ LYS B 70 -8.498 -14.784 -7.977 1.00 0.00 N ATOM 0 H LYS B 70 -8.497 -10.642 -4.612 1.00 0.00 H new ATOM 0 HA LYS B 70 -11.003 -11.297 -5.753 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -8.369 -12.797 -5.490 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -9.730 -13.407 -6.409 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -9.644 -11.489 -7.919 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -8.405 -10.724 -6.943 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -7.266 -11.697 -8.796 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -6.907 -12.722 -7.421 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -9.164 -13.335 -9.363 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -7.523 -13.893 -9.625 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -8.136 -15.646 -8.434 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -8.017 -14.648 -7.065 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -9.521 -14.880 -7.818 1.00 0.00 H new ATOM 2376 N SER B 71 -10.459 -12.537 -2.876 1.00 0.00 N ATOM 2377 CA SER B 71 -11.042 -13.344 -1.816 1.00 0.00 C ATOM 2378 C SER B 71 -12.518 -12.978 -1.628 1.00 0.00 C ATOM 2379 O SER B 71 -13.296 -13.760 -1.084 1.00 0.00 O ATOM 2380 CB SER B 71 -10.273 -13.127 -0.513 1.00 0.00 C ATOM 2381 OG SER B 71 -8.895 -13.442 -0.674 1.00 0.00 O ATOM 0 H SER B 71 -9.757 -11.868 -2.561 1.00 0.00 H new ATOM 0 HA SER B 71 -10.975 -14.396 -2.093 1.00 0.00 H new ATOM 0 HB2 SER B 71 -10.377 -12.090 -0.194 1.00 0.00 H new ATOM 0 HB3 SER B 71 -10.702 -13.748 0.274 1.00 0.00 H new ATOM 0 HG SER B 71 -8.527 -12.928 -1.423 1.00 0.00 H new ATOM 2387 N ASN B 72 -12.897 -11.796 -2.107 1.00 0.00 N ATOM 2388 CA ASN B 72 -14.279 -11.326 -2.015 1.00 0.00 C ATOM 2389 C ASN B 72 -15.119 -11.897 -3.156 1.00 0.00 C ATOM 2390 O ASN B 72 -16.329 -11.688 -3.212 1.00 0.00 O ATOM 2391 CB ASN B 72 -14.347 -9.798 -2.058 1.00 0.00 C ATOM 2392 CG ASN B 72 -13.628 -9.136 -0.898 1.00 0.00 C ATOM 2393 OD1 ASN B 72 -14.206 -8.927 0.167 1.00 0.00 O ATOM 2394 ND2 ASN B 72 -12.372 -8.775 -1.110 1.00 0.00 N ATOM 0 H ASN B 72 -12.263 -11.142 -2.566 1.00 0.00 H new ATOM 0 HA ASN B 72 -14.678 -11.671 -1.061 1.00 0.00 H new ATOM 0 HB2 ASN B 72 -13.913 -9.447 -2.994 1.00 0.00 H new ATOM 0 HB3 ASN B 72 -15.392 -9.487 -2.055 1.00 0.00 H new ATOM 0 HD21 ASN B 72 -11.846 -8.304 -0.374 1.00 0.00 H new ATOM 0 HD22 ASN B 72 -11.931 -8.968 -2.009 1.00 0.00 H new ATOM 2401 N LEU B 73 -14.463 -12.607 -4.066 1.00 0.00 N ATOM 2402 CA LEU B 73 -15.143 -13.192 -5.219 1.00 0.00 C ATOM 2403 C LEU B 73 -15.598 -14.610 -4.909 1.00 0.00 C ATOM 2404 O LEU B 73 -16.183 -15.291 -5.756 1.00 0.00 O ATOM 2405 CB LEU B 73 -14.211 -13.200 -6.434 1.00 0.00 C ATOM 2406 CG LEU B 73 -13.734 -11.823 -6.901 1.00 0.00 C ATOM 2407 CD1 LEU B 73 -12.782 -11.957 -8.078 1.00 0.00 C ATOM 2408 CD2 LEU B 73 -14.920 -10.950 -7.275 1.00 0.00 C ATOM 0 H LEU B 73 -13.461 -12.793 -4.029 1.00 0.00 H new ATOM 0 HA LEU B 73 -16.020 -12.585 -5.445 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -13.338 -13.808 -6.197 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -14.725 -13.689 -7.262 1.00 0.00 H new ATOM 0 HG LEU B 73 -13.199 -11.348 -6.079 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -12.454 -10.967 -8.395 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -11.916 -12.548 -7.780 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -13.292 -12.452 -8.904 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -14.564 -9.974 -7.605 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -15.480 -11.423 -8.081 1.00 0.00 H new ATOM 0 HD23 LEU B 73 -15.568 -10.825 -6.407 1.00 0.00 H new ATOM 2420 N GLU B 74 -15.330 -15.041 -3.687 1.00 0.00 N ATOM 2421 CA GLU B 74 -15.651 -16.390 -3.260 1.00 0.00 C ATOM 2422 C GLU B 74 -17.117 -16.532 -2.874 1.00 0.00 C ATOM 2423 O GLU B 74 -17.867 -15.558 -2.811 1.00 0.00 O ATOM 2424 CB GLU B 74 -14.777 -16.799 -2.073 1.00 0.00 C ATOM 2425 CG GLU B 74 -13.356 -17.171 -2.455 1.00 0.00 C ATOM 2426 CD GLU B 74 -13.309 -18.345 -3.409 1.00 0.00 C ATOM 2427 OE1 GLU B 74 -13.729 -19.455 -3.012 1.00 0.00 O ATOM 2428 OE2 GLU B 74 -12.868 -18.155 -4.562 1.00 0.00 O ATOM 0 H GLU B 74 -14.887 -14.469 -2.968 1.00 0.00 H new ATOM 0 HA GLU B 74 -15.455 -17.046 -4.108 1.00 0.00 H new ATOM 0 HB2 GLU B 74 -14.747 -15.978 -1.356 1.00 0.00 H new ATOM 0 HB3 GLU B 74 -15.241 -17.646 -1.568 1.00 0.00 H new ATOM 0 HG2 GLU B 74 -12.868 -16.311 -2.915 1.00 0.00 H new ATOM 0 HG3 GLU B 74 -12.791 -17.414 -1.555 1.00 0.00 H new ATOM 2435 N HIS B 75 -17.496 -17.769 -2.621 1.00 0.00 N ATOM 2436 CA HIS B 75 -18.821 -18.110 -2.127 1.00 0.00 C ATOM 2437 C HIS B 75 -18.726 -18.353 -0.626 1.00 0.00 C ATOM 2438 O HIS B 75 -17.680 -18.091 -0.036 1.00 0.00 O ATOM 2439 CB HIS B 75 -19.360 -19.363 -2.850 1.00 0.00 C ATOM 2440 CG HIS B 75 -18.408 -20.531 -2.866 1.00 0.00 C ATOM 2441 ND1 HIS B 75 -18.699 -21.764 -2.319 1.00 0.00 N ATOM 2442 CD2 HIS B 75 -17.162 -20.644 -3.386 1.00 0.00 C ATOM 2443 CE1 HIS B 75 -17.671 -22.576 -2.499 1.00 0.00 C ATOM 2444 NE2 HIS B 75 -16.730 -21.919 -3.143 1.00 0.00 N ATOM 0 H HIS B 75 -16.888 -18.577 -2.753 1.00 0.00 H new ATOM 0 HA HIS B 75 -19.514 -17.292 -2.324 1.00 0.00 H new ATOM 0 HB2 HIS B 75 -20.288 -19.673 -2.370 1.00 0.00 H new ATOM 0 HB3 HIS B 75 -19.606 -19.097 -3.878 1.00 0.00 H new ATOM 0 HD2 HIS B 75 -16.611 -19.869 -3.898 1.00 0.00 H new ATOM 0 HE1 HIS B 75 -17.613 -23.604 -2.173 1.00 0.00 H new ATOM 0 HE2 HIS B 75 -15.824 -22.299 -3.417 1.00 0.00 H new ATOM 2453 N HIS B 76 -19.801 -18.834 -0.003 1.00 0.00 N ATOM 2454 CA HIS B 76 -19.745 -19.199 1.417 1.00 0.00 C ATOM 2455 C HIS B 76 -18.696 -20.287 1.652 1.00 0.00 C ATOM 2456 O HIS B 76 -18.967 -21.478 1.533 1.00 0.00 O ATOM 2457 CB HIS B 76 -21.123 -19.620 1.972 1.00 0.00 C ATOM 2458 CG HIS B 76 -21.942 -20.523 1.088 1.00 0.00 C ATOM 2459 ND1 HIS B 76 -23.046 -20.080 0.397 1.00 0.00 N ATOM 2460 CD2 HIS B 76 -21.838 -21.845 0.811 1.00 0.00 C ATOM 2461 CE1 HIS B 76 -23.586 -21.084 -0.267 1.00 0.00 C ATOM 2462 NE2 HIS B 76 -22.872 -22.167 -0.033 1.00 0.00 N ATOM 0 H HIS B 76 -20.708 -18.979 -0.447 1.00 0.00 H new ATOM 0 HA HIS B 76 -19.448 -18.307 1.969 1.00 0.00 H new ATOM 0 HB2 HIS B 76 -20.970 -20.121 2.928 1.00 0.00 H new ATOM 0 HB3 HIS B 76 -21.702 -18.719 2.174 1.00 0.00 H new ATOM 0 HD2 HIS B 76 -21.082 -22.520 1.185 1.00 0.00 H new ATOM 0 HE1 HIS B 76 -24.463 -21.028 -0.895 1.00 0.00 H new ATOM 0 HE2 HIS B 76 -23.058 -23.094 -0.417 1.00 0.00 H new ATOM 2471 N HIS B 77 -17.484 -19.849 1.962 1.00 0.00 N ATOM 2472 CA HIS B 77 -16.348 -20.740 2.097 1.00 0.00 C ATOM 2473 C HIS B 77 -15.839 -20.726 3.534 1.00 0.00 C ATOM 2474 O HIS B 77 -15.040 -19.874 3.915 1.00 0.00 O ATOM 2475 CB HIS B 77 -15.250 -20.310 1.115 1.00 0.00 C ATOM 2476 CG HIS B 77 -13.996 -21.133 1.161 1.00 0.00 C ATOM 2477 ND1 HIS B 77 -13.994 -22.507 1.247 1.00 0.00 N ATOM 2478 CD2 HIS B 77 -12.694 -20.762 1.115 1.00 0.00 C ATOM 2479 CE1 HIS B 77 -12.750 -22.944 1.251 1.00 0.00 C ATOM 2480 NE2 HIS B 77 -11.940 -21.909 1.172 1.00 0.00 N ATOM 0 H HIS B 77 -17.264 -18.867 2.126 1.00 0.00 H new ATOM 0 HA HIS B 77 -16.648 -21.761 1.860 1.00 0.00 H new ATOM 0 HB2 HIS B 77 -15.654 -20.348 0.103 1.00 0.00 H new ATOM 0 HB3 HIS B 77 -14.991 -19.270 1.316 1.00 0.00 H new ATOM 0 HD1 HIS B 77 -14.826 -23.095 1.299 1.00 0.00 H new ATOM 0 HD2 HIS B 77 -12.318 -19.752 1.046 1.00 0.00 H new ATOM 0 HE1 HIS B 77 -12.446 -23.979 1.309 1.00 0.00 H new ATOM 2489 N HIS B 78 -16.345 -21.651 4.334 1.00 0.00 N ATOM 2490 CA HIS B 78 -15.955 -21.755 5.736 1.00 0.00 C ATOM 2491 C HIS B 78 -15.542 -23.183 6.038 1.00 0.00 C ATOM 2492 O HIS B 78 -14.375 -23.467 6.311 1.00 0.00 O ATOM 2493 CB HIS B 78 -17.107 -21.345 6.665 1.00 0.00 C ATOM 2494 CG HIS B 78 -17.558 -19.927 6.497 1.00 0.00 C ATOM 2495 ND1 HIS B 78 -17.218 -18.914 7.366 1.00 0.00 N ATOM 2496 CD2 HIS B 78 -18.332 -19.357 5.546 1.00 0.00 C ATOM 2497 CE1 HIS B 78 -17.765 -17.785 6.955 1.00 0.00 C ATOM 2498 NE2 HIS B 78 -18.444 -18.028 5.851 1.00 0.00 N ATOM 0 H HIS B 78 -17.031 -22.345 4.037 1.00 0.00 H new ATOM 0 HA HIS B 78 -15.119 -21.078 5.912 1.00 0.00 H new ATOM 0 HB2 HIS B 78 -17.955 -22.007 6.488 1.00 0.00 H new ATOM 0 HB3 HIS B 78 -16.796 -21.495 7.699 1.00 0.00 H new ATOM 0 HD2 HIS B 78 -18.780 -19.859 4.701 1.00 0.00 H new ATOM 0 HE1 HIS B 78 -17.672 -16.825 7.441 1.00 0.00 H new ATOM 0 HE2 HIS B 78 -18.967 -17.338 5.312 1.00 0.00 H new ATOM 2507 N HIS B 79 -16.509 -24.084 5.957 1.00 0.00 N ATOM 2508 CA HIS B 79 -16.264 -25.506 6.137 1.00 0.00 C ATOM 2509 C HIS B 79 -15.893 -26.121 4.792 1.00 0.00 C ATOM 2510 O HIS B 79 -16.504 -27.094 4.348 1.00 0.00 O ATOM 2511 CB HIS B 79 -17.517 -26.173 6.713 1.00 0.00 C ATOM 2512 CG HIS B 79 -17.260 -27.490 7.376 1.00 0.00 C ATOM 2513 ND1 HIS B 79 -17.124 -27.624 8.740 1.00 0.00 N ATOM 2514 CD2 HIS B 79 -17.131 -28.735 6.863 1.00 0.00 C ATOM 2515 CE1 HIS B 79 -16.922 -28.892 9.037 1.00 0.00 C ATOM 2516 NE2 HIS B 79 -16.921 -29.588 7.915 1.00 0.00 N ATOM 0 H HIS B 79 -17.483 -23.851 5.765 1.00 0.00 H new ATOM 0 HA HIS B 79 -15.441 -25.660 6.835 1.00 0.00 H new ATOM 0 HB2 HIS B 79 -17.975 -25.498 7.436 1.00 0.00 H new ATOM 0 HB3 HIS B 79 -18.240 -26.318 5.910 1.00 0.00 H new ATOM 0 HD2 HIS B 79 -17.184 -29.006 5.819 1.00 0.00 H new ATOM 0 HE1 HIS B 79 -16.781 -29.294 10.030 1.00 0.00 H new ATOM 0 HE2 HIS B 79 -16.786 -30.596 7.843 1.00 0.00 H new ATOM 2525 N HIS B 80 -14.875 -25.534 4.164 1.00 0.00 N ATOM 2526 CA HIS B 80 -14.470 -25.876 2.801 1.00 0.00 C ATOM 2527 C HIS B 80 -15.562 -25.486 1.812 1.00 0.00 C ATOM 2528 O HIS B 80 -16.158 -26.386 1.189 1.00 0.00 O ATOM 2529 CB HIS B 80 -14.136 -27.367 2.651 1.00 0.00 C ATOM 2530 CG HIS B 80 -12.936 -27.802 3.425 1.00 0.00 C ATOM 2531 ND1 HIS B 80 -11.652 -27.418 3.108 1.00 0.00 N ATOM 2532 CD2 HIS B 80 -12.829 -28.597 4.512 1.00 0.00 C ATOM 2533 CE1 HIS B 80 -10.810 -27.958 3.964 1.00 0.00 C ATOM 2534 NE2 HIS B 80 -11.498 -28.680 4.829 1.00 0.00 N ATOM 2535 OXT HIS B 80 -15.822 -24.271 1.678 1.00 0.00 O ATOM 0 H HIS B 80 -14.304 -24.803 4.589 1.00 0.00 H new ATOM 0 HA HIS B 80 -13.562 -25.313 2.584 1.00 0.00 H new ATOM 0 HB2 HIS B 80 -14.996 -27.955 2.972 1.00 0.00 H new ATOM 0 HB3 HIS B 80 -13.975 -27.588 1.596 1.00 0.00 H new ATOM 0 HD2 HIS B 80 -13.642 -29.078 5.035 1.00 0.00 H new ATOM 0 HE1 HIS B 80 -9.737 -27.832 3.959 1.00 0.00 H new ATOM 0 HE2 HIS B 80 -11.104 -29.212 5.605 1.00 0.00 H new TER 2544 HIS B 80