USER MOD reduce.3.24.130724 H: found=0, std=0, add=1594, rem=0, adj=54 USER MOD reduce.3.24.130724 removed 1586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 39 MET CE :methyl 169:sc= -9.55! (180deg=-10.1!) USER MOD Set 1.2: B 59 MET CE :methyl -154:sc= -20! (180deg=-22.5!) USER MOD Set 2.1: B 26 HIS :FLIP no HD1:sc= -0.849 F(o=-1.4,f=-0.84) USER MOD Set 2.2: B 27 SER OG : rot 60:sc= 0.00447 USER MOD Set 3.1: A 90 SER OG : rot 93:sc= -1.23 USER MOD Set 3.2: B 18 GLN : amide:sc= -0.0636 X(o=-1.3,f=-0.87) USER MOD Set 4.1: A 74 GLN :FLIP amide:sc= -7.55! C(o=-15!,f=-15!) USER MOD Set 4.2: B 74 GLN :FLIP amide:sc= -7.35! C(o=-16!,f=-15!) USER MOD Set 5.1: A 39 MET CE :methyl 163:sc= -9.49! (180deg=-10.3!) USER MOD Set 5.2: A 59 MET CE :methyl -157:sc= -20! (180deg=-22.7!) USER MOD Set 6.1: A 26 HIS :FLIP no HD1:sc= -0.872 F(o=-1.5,f=-0.87) USER MOD Set 6.2: A 27 SER OG : rot 60:sc= 0.00561 USER MOD Set 7.1: A 18 GLN : amide:sc= -0.0565 X(o=-1.3,f=-0.89) USER MOD Set 7.2: B 90 SER OG : rot 96:sc= -1.28 USER MOD Single : A 1 SER N :NH3+ -140:sc= 0.0544 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.353 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 130:sc= 0.0714 USER MOD Single : A 9 CYS SG : rot -43:sc= -1.82 USER MOD Single : A 12 SER OG : rot 101:sc= 1.17 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -170:sc= 0 USER MOD Single : A 31 SER OG : rot 150:sc= 0.143 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -3.1 K(o=-3.1,f=-6.8!) USER MOD Single : A 41 THR OG1 : rot -79:sc= 1.18 USER MOD Single : A 47 THR OG1 : rot -60:sc= 0.612 USER MOD Single : A 48 LYS NZ :NH3+ 150:sc= -0.456 (180deg=-1.35!) USER MOD Single : A 49 ASN : amide:sc= -1.57 K(o=-1.6,f=-7.7!) USER MOD Single : A 50 GLN : amide:sc= -2.83 K(o=-2.8,f=-11!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 154:sc= -4.79! (180deg=-7.59!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0.261 X(o=0.26,f=-0.015) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN :FLIP amide:sc= -3.46! C(o=-6.2!,f=-3.5!) USER MOD Single : A 78 ASN :FLIP amide:sc= -0.322 F(o=-1.2,f=-0.32) USER MOD Single : A 87 CYS SG : rot -148:sc= 0.107 USER MOD Single : A 88 HIS : no HE2:sc= -0.604 K(o=-0.6,f=-2) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -0.036 X(o=-0.036,f=0.24) USER MOD Single : A 99 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0425) USER MOD Single : B 1 SER N :NH3+ -149:sc= 0.0632 (180deg=0) USER MOD Single : B 1 SER OG : rot 180:sc= 0.41 USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 6 THR OG1 : rot 130:sc= 0.0646 USER MOD Single : B 9 CYS SG : rot -43:sc= -1.84 USER MOD Single : B 12 SER OG : rot 97:sc= 1.09 USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 TYR OH : rot 180:sc= 0 USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 THR OG1 : rot -170:sc= 0 USER MOD Single : B 31 SER OG : rot 150:sc= 0.156 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 40 ASN : amide:sc= -2.91 K(o=-2.9,f=-6.5!) USER MOD Single : B 41 THR OG1 : rot -79:sc= 1.32 USER MOD Single : B 47 THR OG1 : rot -54:sc= 0.631 USER MOD Single : B 48 LYS NZ :NH3+ 151:sc= -0.325 (180deg=-1.38!) USER MOD Single : B 49 ASN : amide:sc= -1.52 K(o=-1.5,f=-7.6!) USER MOD Single : B 50 GLN : amide:sc= -2.97 K(o=-3,f=-11!) USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 MET CE :methyl 152:sc= -4.76! (180deg=-7.27!) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 ASN : amide:sc= 0.26 X(o=0.26,f=-0.016) USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD Single : B 70 GLN :FLIP amide:sc= -3.31! C(o=-6.1!,f=-3.3!) USER MOD Single : B 78 ASN :FLIP amide:sc= -0.34 F(o=-1.2,f=-0.34) USER MOD Single : B 87 CYS SG : rot -143:sc= 0.0102! USER MOD Single : B 88 HIS : no HE2:sc= -0.589 K(o=-0.59,f=-2) USER MOD Single : B 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 98 GLN : amide:sc= -0.049 X(o=-0.049,f=0.24) USER MOD Single : B 99 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0492) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 7.695 -3.046 20.945 1.00 0.00 N ATOM 2 CA SER A 1 8.583 -3.818 21.855 1.00 0.00 C ATOM 3 C SER A 1 9.390 -4.860 21.086 1.00 0.00 C ATOM 4 O SER A 1 10.578 -4.669 20.824 1.00 0.00 O ATOM 5 CB SER A 1 7.717 -4.498 22.918 1.00 0.00 C ATOM 6 OG SER A 1 6.654 -5.222 22.323 1.00 0.00 O ATOM 0 H1 SER A 1 7.695 -2.045 21.227 1.00 0.00 H new ATOM 0 H2 SER A 1 8.041 -3.131 19.968 1.00 0.00 H new ATOM 0 H3 SER A 1 6.727 -3.422 21.003 1.00 0.00 H new ATOM 0 HA SER A 1 9.292 -3.138 22.326 1.00 0.00 H new ATOM 0 HB2 SER A 1 8.331 -5.172 23.515 1.00 0.00 H new ATOM 0 HB3 SER A 1 7.314 -3.747 23.598 1.00 0.00 H new ATOM 0 HG SER A 1 6.117 -5.648 23.023 1.00 0.00 H new ATOM 14 N ARG A 2 8.739 -5.962 20.727 1.00 0.00 N ATOM 15 CA ARG A 2 9.398 -7.033 19.990 1.00 0.00 C ATOM 16 C ARG A 2 9.277 -6.816 18.481 1.00 0.00 C ATOM 17 O ARG A 2 10.276 -6.849 17.762 1.00 0.00 O ATOM 18 CB ARG A 2 8.803 -8.391 20.375 1.00 0.00 C ATOM 19 CG ARG A 2 9.801 -9.327 21.037 1.00 0.00 C ATOM 20 CD ARG A 2 9.157 -10.654 21.408 1.00 0.00 C ATOM 21 NE ARG A 2 9.498 -11.712 20.461 1.00 0.00 N ATOM 22 CZ ARG A 2 9.358 -13.011 20.718 1.00 0.00 C ATOM 23 NH1 ARG A 2 8.883 -13.416 21.889 1.00 0.00 N ATOM 24 NH2 ARG A 2 9.693 -13.908 19.800 1.00 0.00 N ATOM 0 H ARG A 2 7.756 -6.136 20.935 1.00 0.00 H new ATOM 0 HA ARG A 2 10.455 -7.022 20.254 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.963 -8.232 21.051 1.00 0.00 H new ATOM 0 HB3 ARG A 2 8.406 -8.871 19.481 1.00 0.00 H new ATOM 0 HG2 ARG A 2 10.639 -9.504 20.363 1.00 0.00 H new ATOM 0 HG3 ARG A 2 10.206 -8.855 21.932 1.00 0.00 H new ATOM 0 HD2 ARG A 2 9.478 -10.946 22.408 1.00 0.00 H new ATOM 0 HD3 ARG A 2 8.074 -10.534 21.443 1.00 0.00 H new ATOM 0 HE ARG A 2 9.865 -11.440 19.549 1.00 0.00 H new ATOM 0 HH11 ARG A 2 8.623 -12.731 22.598 1.00 0.00 H new ATOM 0 HH12 ARG A 2 8.778 -14.413 22.080 1.00 0.00 H new ATOM 0 HH21 ARG A 2 10.058 -13.603 18.898 1.00 0.00 H new ATOM 0 HH22 ARG A 2 9.586 -14.903 19.996 1.00 0.00 H new ATOM 37 N PRO A 3 8.049 -6.592 17.980 1.00 0.00 N ATOM 38 CA PRO A 3 7.798 -6.371 16.551 1.00 0.00 C ATOM 39 C PRO A 3 8.392 -5.043 16.066 1.00 0.00 C ATOM 40 O PRO A 3 9.556 -4.746 16.339 1.00 0.00 O ATOM 41 CB PRO A 3 6.256 -6.373 16.468 1.00 0.00 C ATOM 42 CG PRO A 3 5.813 -7.014 17.733 1.00 0.00 C ATOM 43 CD PRO A 3 6.798 -6.534 18.743 1.00 0.00 C ATOM 0 HA PRO A 3 8.262 -7.124 15.914 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.863 -5.360 16.378 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.907 -6.929 15.598 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.797 -6.720 17.995 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.820 -8.101 17.654 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.574 -5.524 19.087 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.825 -7.173 19.626 1.00 0.00 H new ATOM 51 N THR A 4 7.600 -4.248 15.350 1.00 0.00 N ATOM 52 CA THR A 4 8.066 -2.963 14.840 1.00 0.00 C ATOM 53 C THR A 4 6.925 -2.177 14.217 1.00 0.00 C ATOM 54 O THR A 4 5.997 -2.744 13.641 1.00 0.00 O ATOM 55 CB THR A 4 9.200 -3.156 13.825 1.00 0.00 C ATOM 56 OG1 THR A 4 9.299 -2.038 12.961 1.00 0.00 O ATOM 57 CG2 THR A 4 9.044 -4.389 12.957 1.00 0.00 C ATOM 0 H THR A 4 6.634 -4.472 15.111 1.00 0.00 H new ATOM 0 HA THR A 4 8.453 -2.392 15.684 1.00 0.00 H new ATOM 0 HB THR A 4 10.098 -3.274 14.431 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.029 -2.181 12.323 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.884 -4.456 12.266 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.021 -5.278 13.588 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.114 -4.321 12.392 1.00 0.00 H new ATOM 65 N GLU A 5 7.010 -0.860 14.346 1.00 0.00 N ATOM 66 CA GLU A 5 6.004 0.043 13.811 1.00 0.00 C ATOM 67 C GLU A 5 5.608 -0.354 12.392 1.00 0.00 C ATOM 68 O GLU A 5 4.424 -0.427 12.063 1.00 0.00 O ATOM 69 CB GLU A 5 6.551 1.465 13.836 1.00 0.00 C ATOM 70 CG GLU A 5 5.552 2.498 14.327 1.00 0.00 C ATOM 71 CD GLU A 5 5.612 2.699 15.829 1.00 0.00 C ATOM 72 OE1 GLU A 5 5.134 1.812 16.567 1.00 0.00 O ATOM 73 OE2 GLU A 5 6.136 3.744 16.267 1.00 0.00 O ATOM 0 H GLU A 5 7.778 -0.389 14.824 1.00 0.00 H new ATOM 0 HA GLU A 5 5.108 -0.016 14.429 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.433 1.494 14.476 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.876 1.737 12.832 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.743 3.449 13.829 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.546 2.188 14.046 1.00 0.00 H new ATOM 80 N THR A 6 6.608 -0.628 11.562 1.00 0.00 N ATOM 81 CA THR A 6 6.364 -1.039 10.186 1.00 0.00 C ATOM 82 C THR A 6 5.634 -2.377 10.165 1.00 0.00 C ATOM 83 O THR A 6 4.704 -2.582 9.389 1.00 0.00 O ATOM 84 CB THR A 6 7.689 -1.153 9.427 1.00 0.00 C ATOM 85 OG1 THR A 6 8.656 -0.276 9.973 1.00 0.00 O ATOM 86 CG2 THR A 6 7.567 -0.840 7.951 1.00 0.00 C ATOM 0 H THR A 6 7.594 -0.573 11.818 1.00 0.00 H new ATOM 0 HA THR A 6 5.743 -0.288 9.698 1.00 0.00 H new ATOM 0 HB THR A 6 7.992 -2.194 9.535 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.486 -0.769 10.143 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.543 -0.940 7.476 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.865 -1.534 7.489 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.205 0.180 7.824 1.00 0.00 H new ATOM 94 N GLU A 7 6.057 -3.285 11.037 1.00 0.00 N ATOM 95 CA GLU A 7 5.447 -4.608 11.123 1.00 0.00 C ATOM 96 C GLU A 7 3.930 -4.501 11.260 1.00 0.00 C ATOM 97 O GLU A 7 3.190 -5.333 10.735 1.00 0.00 O ATOM 98 CB GLU A 7 6.025 -5.381 12.313 1.00 0.00 C ATOM 99 CG GLU A 7 6.887 -6.566 11.907 1.00 0.00 C ATOM 100 CD GLU A 7 6.930 -7.647 12.969 1.00 0.00 C ATOM 101 OE1 GLU A 7 5.925 -8.374 13.116 1.00 0.00 O ATOM 102 OE2 GLU A 7 7.968 -7.766 13.653 1.00 0.00 O ATOM 0 H GLU A 7 6.821 -3.130 11.695 1.00 0.00 H new ATOM 0 HA GLU A 7 5.673 -5.146 10.203 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.620 -4.701 12.923 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.205 -5.736 12.938 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.503 -6.989 10.979 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.901 -6.221 11.704 1.00 0.00 H new ATOM 109 N ARG A 8 3.475 -3.469 11.959 1.00 0.00 N ATOM 110 CA ARG A 8 2.047 -3.253 12.152 1.00 0.00 C ATOM 111 C ARG A 8 1.422 -2.615 10.914 1.00 0.00 C ATOM 112 O ARG A 8 0.278 -2.907 10.566 1.00 0.00 O ATOM 113 CB ARG A 8 1.805 -2.371 13.380 1.00 0.00 C ATOM 114 CG ARG A 8 0.727 -2.907 14.309 1.00 0.00 C ATOM 115 CD ARG A 8 1.272 -3.179 15.702 1.00 0.00 C ATOM 116 NE ARG A 8 1.229 -1.989 16.549 1.00 0.00 N ATOM 117 CZ ARG A 8 1.417 -2.010 17.866 1.00 0.00 C ATOM 118 NH1 ARG A 8 1.660 -3.155 18.491 1.00 0.00 N ATOM 119 NH2 ARG A 8 1.360 -0.882 18.562 1.00 0.00 N ATOM 0 H ARG A 8 4.072 -2.770 12.401 1.00 0.00 H new ATOM 0 HA ARG A 8 1.574 -4.222 12.314 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.737 -2.273 13.936 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.524 -1.371 13.050 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -0.090 -2.188 14.372 1.00 0.00 H new ATOM 0 HG3 ARG A 8 0.313 -3.826 13.894 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.694 -3.977 16.168 1.00 0.00 H new ATOM 0 HD3 ARG A 8 2.300 -3.533 15.626 1.00 0.00 H new ATOM 0 HE ARG A 8 1.044 -1.090 16.105 1.00 0.00 H new ATOM 0 HH11 ARG A 8 1.704 -4.026 17.962 1.00 0.00 H new ATOM 0 HH12 ARG A 8 1.803 -3.164 19.501 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.172 0.001 18.087 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.504 -0.898 19.572 1.00 0.00 H new ATOM 132 N CYS A 9 2.178 -1.740 10.256 1.00 0.00 N ATOM 133 CA CYS A 9 1.693 -1.058 9.059 1.00 0.00 C ATOM 134 C CYS A 9 1.464 -2.046 7.920 1.00 0.00 C ATOM 135 O CYS A 9 0.480 -1.946 7.188 1.00 0.00 O ATOM 136 CB CYS A 9 2.670 0.050 8.634 1.00 0.00 C ATOM 137 SG CYS A 9 4.079 -0.503 7.643 1.00 0.00 S ATOM 0 H CYS A 9 3.127 -1.487 10.531 1.00 0.00 H new ATOM 0 HA CYS A 9 0.735 -0.596 9.298 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.119 0.800 8.066 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.048 0.543 9.530 1.00 0.00 H new ATOM 0 HG CYS A 9 4.558 -1.602 8.145 1.00 0.00 H new ATOM 143 N ILE A 10 2.376 -3.001 7.775 1.00 0.00 N ATOM 144 CA ILE A 10 2.268 -4.000 6.726 1.00 0.00 C ATOM 145 C ILE A 10 1.119 -4.963 6.992 1.00 0.00 C ATOM 146 O ILE A 10 0.238 -5.136 6.155 1.00 0.00 O ATOM 147 CB ILE A 10 3.572 -4.814 6.595 1.00 0.00 C ATOM 148 CG1 ILE A 10 4.759 -3.892 6.340 1.00 0.00 C ATOM 149 CG2 ILE A 10 3.453 -5.832 5.472 1.00 0.00 C ATOM 150 CD1 ILE A 10 5.790 -3.906 7.442 1.00 0.00 C ATOM 0 H ILE A 10 3.197 -3.102 8.372 1.00 0.00 H new ATOM 0 HA ILE A 10 2.079 -3.460 5.798 1.00 0.00 H new ATOM 0 HB ILE A 10 3.738 -5.343 7.533 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.237 -4.181 5.404 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.394 -2.873 6.210 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.382 -6.397 5.394 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.630 -6.514 5.685 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.262 -5.315 4.531 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.603 -3.226 7.188 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.328 -3.587 8.376 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.184 -4.915 7.558 1.00 0.00 H new ATOM 162 N GLU A 11 1.144 -5.602 8.154 1.00 0.00 N ATOM 163 CA GLU A 11 0.119 -6.574 8.519 1.00 0.00 C ATOM 164 C GLU A 11 -1.290 -6.012 8.364 1.00 0.00 C ATOM 165 O GLU A 11 -2.239 -6.764 8.145 1.00 0.00 O ATOM 166 CB GLU A 11 0.331 -7.060 9.951 1.00 0.00 C ATOM 167 CG GLU A 11 0.285 -8.573 10.080 1.00 0.00 C ATOM 168 CD GLU A 11 -0.764 -9.045 11.069 1.00 0.00 C ATOM 169 OE1 GLU A 11 -1.954 -8.720 10.872 1.00 0.00 O ATOM 170 OE2 GLU A 11 -0.395 -9.738 12.040 1.00 0.00 O ATOM 0 H GLU A 11 1.865 -5.465 8.863 1.00 0.00 H new ATOM 0 HA GLU A 11 0.216 -7.414 7.832 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.294 -6.700 10.312 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.433 -6.623 10.594 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.080 -9.011 9.103 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.264 -8.937 10.393 1.00 0.00 H new ATOM 177 N SER A 12 -1.430 -4.701 8.491 1.00 0.00 N ATOM 178 CA SER A 12 -2.741 -4.077 8.375 1.00 0.00 C ATOM 179 C SER A 12 -3.220 -4.022 6.923 1.00 0.00 C ATOM 180 O SER A 12 -4.300 -4.516 6.608 1.00 0.00 O ATOM 181 CB SER A 12 -2.709 -2.671 8.973 1.00 0.00 C ATOM 182 OG SER A 12 -2.163 -2.685 10.281 1.00 0.00 O ATOM 0 H SER A 12 -0.662 -4.054 8.672 1.00 0.00 H new ATOM 0 HA SER A 12 -3.449 -4.691 8.932 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.117 -2.015 8.335 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.719 -2.261 9.001 1.00 0.00 H new ATOM 0 HG SER A 12 -1.231 -2.383 10.250 1.00 0.00 H new ATOM 188 N LEU A 13 -2.423 -3.418 6.042 1.00 0.00 N ATOM 189 CA LEU A 13 -2.790 -3.297 4.634 1.00 0.00 C ATOM 190 C LEU A 13 -2.997 -4.662 3.974 1.00 0.00 C ATOM 191 O LEU A 13 -3.794 -4.806 3.045 1.00 0.00 O ATOM 192 CB LEU A 13 -1.722 -2.502 3.894 1.00 0.00 C ATOM 193 CG LEU A 13 -1.990 -0.999 3.809 1.00 0.00 C ATOM 194 CD1 LEU A 13 -3.304 -0.734 3.097 1.00 0.00 C ATOM 195 CD2 LEU A 13 -2.014 -0.363 5.189 1.00 0.00 C ATOM 0 H LEU A 13 -1.521 -3.006 6.279 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.742 -2.769 4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.763 -2.659 4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.628 -2.899 2.883 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.176 -0.550 3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.479 0.341 3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.260 -1.144 2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.117 -1.208 3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.207 0.706 5.094 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.801 -0.822 5.787 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.051 -0.516 5.677 1.00 0.00 H new ATOM 207 N ILE A 14 -2.293 -5.670 4.454 1.00 0.00 N ATOM 208 CA ILE A 14 -2.431 -7.001 3.909 1.00 0.00 C ATOM 209 C ILE A 14 -3.767 -7.589 4.282 1.00 0.00 C ATOM 210 O ILE A 14 -4.391 -8.302 3.508 1.00 0.00 O ATOM 211 CB ILE A 14 -1.383 -7.947 4.483 1.00 0.00 C ATOM 212 CG1 ILE A 14 -0.002 -7.334 4.454 1.00 0.00 C ATOM 213 CG2 ILE A 14 -1.400 -9.255 3.741 1.00 0.00 C ATOM 214 CD1 ILE A 14 0.870 -7.888 5.544 1.00 0.00 C ATOM 0 H ILE A 14 -1.622 -5.590 5.218 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.319 -6.904 2.829 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.635 -8.131 5.527 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.461 -7.523 3.485 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.081 -6.252 4.564 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.647 -9.921 4.161 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.384 -9.714 3.836 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.182 -9.079 2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.855 -7.425 5.493 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.419 -7.676 6.514 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.969 -8.966 5.418 1.00 0.00 H new ATOM 226 N ALA A 15 -4.159 -7.309 5.507 1.00 0.00 N ATOM 227 CA ALA A 15 -5.379 -7.837 6.067 1.00 0.00 C ATOM 228 C ALA A 15 -6.610 -7.121 5.543 1.00 0.00 C ATOM 229 O ALA A 15 -7.656 -7.743 5.354 1.00 0.00 O ATOM 230 CB ALA A 15 -5.269 -7.781 7.571 1.00 0.00 C ATOM 0 H ALA A 15 -3.636 -6.706 6.143 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.506 -8.874 5.755 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.182 -8.176 8.018 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.418 -8.379 7.896 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.128 -6.747 7.887 1.00 0.00 H new ATOM 236 N VAL A 16 -6.483 -5.829 5.258 1.00 0.00 N ATOM 237 CA VAL A 16 -7.592 -5.083 4.698 1.00 0.00 C ATOM 238 C VAL A 16 -8.103 -5.838 3.483 1.00 0.00 C ATOM 239 O VAL A 16 -9.307 -5.935 3.242 1.00 0.00 O ATOM 240 CB VAL A 16 -7.149 -3.677 4.266 1.00 0.00 C ATOM 241 CG1 VAL A 16 -6.563 -2.917 5.432 1.00 0.00 C ATOM 242 CG2 VAL A 16 -6.130 -3.774 3.154 1.00 0.00 C ATOM 0 H VAL A 16 -5.632 -5.287 5.405 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.371 -4.978 5.453 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.025 -3.138 3.906 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.256 -1.924 5.102 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.312 -2.823 6.218 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.697 -3.455 5.818 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.822 -2.772 2.854 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.261 -4.331 3.504 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.571 -4.288 2.300 1.00 0.00 H new ATOM 252 N PHE A 17 -7.149 -6.387 2.733 1.00 0.00 N ATOM 253 CA PHE A 17 -7.462 -7.165 1.540 1.00 0.00 C ATOM 254 C PHE A 17 -7.934 -8.574 1.914 1.00 0.00 C ATOM 255 O PHE A 17 -9.039 -8.975 1.556 1.00 0.00 O ATOM 256 CB PHE A 17 -6.233 -7.236 0.623 1.00 0.00 C ATOM 257 CG PHE A 17 -6.308 -8.315 -0.424 1.00 0.00 C ATOM 258 CD1 PHE A 17 -5.932 -9.613 -0.122 1.00 0.00 C ATOM 259 CD2 PHE A 17 -6.750 -8.028 -1.705 1.00 0.00 C ATOM 260 CE1 PHE A 17 -5.995 -10.608 -1.079 1.00 0.00 C ATOM 261 CE2 PHE A 17 -6.815 -9.019 -2.667 1.00 0.00 C ATOM 262 CZ PHE A 17 -6.436 -10.310 -2.354 1.00 0.00 C ATOM 0 H PHE A 17 -6.152 -6.306 2.932 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.273 -6.669 1.007 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.106 -6.273 0.128 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.346 -7.399 1.235 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.585 -9.851 0.873 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.047 -7.020 -1.955 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.700 -11.617 -0.831 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.162 -8.784 -3.662 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.484 -11.085 -3.105 1.00 0.00 H new ATOM 272 N GLN A 18 -7.091 -9.323 2.629 1.00 0.00 N ATOM 273 CA GLN A 18 -7.434 -10.693 3.033 1.00 0.00 C ATOM 274 C GLN A 18 -8.818 -10.767 3.659 1.00 0.00 C ATOM 275 O GLN A 18 -9.497 -11.788 3.556 1.00 0.00 O ATOM 276 CB GLN A 18 -6.419 -11.251 4.037 1.00 0.00 C ATOM 277 CG GLN A 18 -4.987 -10.851 3.757 1.00 0.00 C ATOM 278 CD GLN A 18 -4.224 -11.902 2.990 1.00 0.00 C ATOM 279 OE1 GLN A 18 -4.056 -13.032 3.449 1.00 0.00 O ATOM 280 NE2 GLN A 18 -3.755 -11.526 1.809 1.00 0.00 N ATOM 0 H GLN A 18 -6.172 -9.009 2.939 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.417 -11.291 2.122 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.690 -10.913 5.037 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.487 -12.339 4.039 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.979 -9.919 3.192 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.478 -10.656 4.701 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.921 -10.577 1.473 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.228 -12.185 1.236 1.00 0.00 H new ATOM 289 N LYS A 19 -9.234 -9.696 4.321 1.00 0.00 N ATOM 290 CA LYS A 19 -10.539 -9.680 4.962 1.00 0.00 C ATOM 291 C LYS A 19 -11.648 -9.884 3.937 1.00 0.00 C ATOM 292 O LYS A 19 -12.493 -10.767 4.091 1.00 0.00 O ATOM 293 CB LYS A 19 -10.746 -8.356 5.700 1.00 0.00 C ATOM 294 CG LYS A 19 -11.883 -8.389 6.707 1.00 0.00 C ATOM 295 CD LYS A 19 -11.563 -9.301 7.883 1.00 0.00 C ATOM 296 CE LYS A 19 -12.599 -10.405 8.033 1.00 0.00 C ATOM 297 NZ LYS A 19 -13.663 -10.041 9.008 1.00 0.00 N ATOM 0 H LYS A 19 -8.694 -8.837 4.427 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.578 -10.499 5.680 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.823 -8.090 6.216 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.941 -7.570 4.970 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.077 -7.380 7.071 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.794 -8.732 6.217 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.577 -9.743 7.743 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.522 -8.713 8.800 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.051 -10.612 7.063 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.107 -11.322 8.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.348 -10.820 9.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.235 -9.868 9.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.150 -9.180 8.685 1.00 0.00 H new ATOM 311 N TYR A 20 -11.623 -9.087 2.874 1.00 0.00 N ATOM 312 CA TYR A 20 -12.607 -9.206 1.810 1.00 0.00 C ATOM 313 C TYR A 20 -12.220 -10.336 0.869 1.00 0.00 C ATOM 314 O TYR A 20 -13.027 -11.199 0.526 1.00 0.00 O ATOM 315 CB TYR A 20 -12.741 -7.884 1.052 1.00 0.00 C ATOM 316 CG TYR A 20 -14.075 -7.205 1.275 1.00 0.00 C ATOM 317 CD1 TYR A 20 -15.265 -7.884 1.051 1.00 0.00 C ATOM 318 CD2 TYR A 20 -14.142 -5.889 1.716 1.00 0.00 C ATOM 319 CE1 TYR A 20 -16.487 -7.271 1.258 1.00 0.00 C ATOM 320 CE2 TYR A 20 -15.360 -5.270 1.925 1.00 0.00 C ATOM 321 CZ TYR A 20 -16.528 -5.964 1.694 1.00 0.00 C ATOM 322 OH TYR A 20 -17.742 -5.350 1.902 1.00 0.00 O ATOM 0 H TYR A 20 -10.931 -8.352 2.729 1.00 0.00 H new ATOM 0 HA TYR A 20 -13.577 -9.439 2.250 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -11.941 -7.211 1.362 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -12.607 -8.068 -0.014 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -15.236 -8.908 0.709 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -13.229 -5.342 1.898 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -17.404 -7.813 1.079 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -15.396 -4.247 2.268 1.00 0.00 H new ATOM 0 HH TYR A 20 -17.595 -4.431 2.209 1.00 0.00 H new ATOM 332 N ALA A 21 -10.961 -10.292 0.458 1.00 0.00 N ATOM 333 CA ALA A 21 -10.388 -11.269 -0.453 1.00 0.00 C ATOM 334 C ALA A 21 -10.511 -12.690 0.090 1.00 0.00 C ATOM 335 O ALA A 21 -11.003 -13.586 -0.597 1.00 0.00 O ATOM 336 CB ALA A 21 -8.934 -10.903 -0.699 1.00 0.00 C ATOM 0 H ALA A 21 -10.303 -9.570 0.751 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.940 -11.248 -1.393 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.487 -11.626 -1.381 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.879 -9.907 -1.139 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.391 -10.913 0.246 1.00 0.00 H new ATOM 342 N GLY A 22 -10.060 -12.889 1.322 1.00 0.00 N ATOM 343 CA GLY A 22 -10.129 -14.204 1.933 1.00 0.00 C ATOM 344 C GLY A 22 -11.555 -14.656 2.175 1.00 0.00 C ATOM 345 O GLY A 22 -12.500 -14.047 1.675 1.00 0.00 O ATOM 0 H GLY A 22 -9.648 -12.164 1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.626 -14.927 1.290 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.590 -14.190 2.880 1.00 0.00 H new ATOM 349 N LYS A 23 -11.711 -15.729 2.944 1.00 0.00 N ATOM 350 CA LYS A 23 -13.033 -16.263 3.253 1.00 0.00 C ATOM 351 C LYS A 23 -13.761 -16.683 1.980 1.00 0.00 C ATOM 352 O LYS A 23 -14.258 -15.841 1.231 1.00 0.00 O ATOM 353 CB LYS A 23 -13.861 -15.223 4.008 1.00 0.00 C ATOM 354 CG LYS A 23 -14.790 -15.826 5.051 1.00 0.00 C ATOM 355 CD LYS A 23 -16.250 -15.673 4.655 1.00 0.00 C ATOM 356 CE LYS A 23 -16.650 -14.211 4.557 1.00 0.00 C ATOM 357 NZ LYS A 23 -17.317 -13.733 5.800 1.00 0.00 N ATOM 0 H LYS A 23 -10.939 -16.246 3.365 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.904 -17.143 3.883 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.187 -14.519 4.497 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.453 -14.653 3.292 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.556 -16.883 5.180 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.621 -15.342 6.013 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.421 -16.163 3.697 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.881 -16.176 5.388 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -15.765 -13.605 4.364 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.321 -14.074 3.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.574 -12.731 5.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -18.176 -14.294 5.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.668 -13.839 6.605 1.00 0.00 H new ATOM 371 N ASP A 24 -13.822 -17.989 1.742 1.00 0.00 N ATOM 372 CA ASP A 24 -14.490 -18.521 0.560 1.00 0.00 C ATOM 373 C ASP A 24 -13.832 -18.006 -0.716 1.00 0.00 C ATOM 374 O ASP A 24 -13.185 -16.960 -0.715 1.00 0.00 O ATOM 375 CB ASP A 24 -15.973 -18.140 0.572 1.00 0.00 C ATOM 376 CG ASP A 24 -16.785 -19.010 1.512 1.00 0.00 C ATOM 377 OD1 ASP A 24 -16.678 -18.815 2.741 1.00 0.00 O ATOM 378 OD2 ASP A 24 -17.527 -19.885 1.019 1.00 0.00 O ATOM 0 H ASP A 24 -13.417 -18.699 2.352 1.00 0.00 H new ATOM 0 HA ASP A 24 -14.400 -19.607 0.581 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -16.075 -17.096 0.868 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -16.376 -18.226 -0.437 1.00 0.00 H new ATOM 383 N GLY A 25 -14.003 -18.750 -1.805 1.00 0.00 N ATOM 384 CA GLY A 25 -13.420 -18.353 -3.073 1.00 0.00 C ATOM 385 C GLY A 25 -12.036 -18.937 -3.283 1.00 0.00 C ATOM 386 O GLY A 25 -11.341 -19.265 -2.321 1.00 0.00 O ATOM 0 H GLY A 25 -14.535 -19.620 -1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.073 -18.672 -3.885 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -13.363 -17.265 -3.119 1.00 0.00 H new ATOM 390 N HIS A 26 -11.636 -19.065 -4.543 1.00 0.00 N ATOM 391 CA HIS A 26 -10.327 -19.614 -4.877 1.00 0.00 C ATOM 392 C HIS A 26 -9.335 -18.500 -5.194 1.00 0.00 C ATOM 393 O HIS A 26 -9.726 -17.362 -5.454 1.00 0.00 O ATOM 394 CB HIS A 26 -10.440 -20.567 -6.068 1.00 0.00 C ATOM 395 CG HIS A 26 -9.171 -21.304 -6.368 1.00 0.00 C ATOM 396 ND1 HIS A 26 -8.133 -20.988 -7.177 1.00 0.00 N flip ATOM 397 CD2 HIS A 26 -8.858 -22.524 -5.806 1.00 0.00 C flip ATOM 398 CE1 HIS A 26 -7.222 -22.011 -7.089 1.00 0.00 C flip ATOM 399 NE2 HIS A 26 -7.683 -22.925 -6.256 1.00 0.00 N flip ATOM 0 H HIS A 26 -12.199 -18.796 -5.350 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.960 -20.167 -4.012 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -11.232 -21.289 -5.871 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -10.738 -20.000 -6.950 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -9.477 -23.067 -5.107 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -6.281 -22.060 -7.616 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -7.212 -23.793 -6.003 1.00 0.00 H new ATOM 408 N SER A 27 -8.049 -18.836 -5.170 1.00 0.00 N ATOM 409 CA SER A 27 -6.998 -17.866 -5.455 1.00 0.00 C ATOM 410 C SER A 27 -7.006 -16.736 -4.429 1.00 0.00 C ATOM 411 O SER A 27 -8.048 -16.404 -3.863 1.00 0.00 O ATOM 412 CB SER A 27 -7.171 -17.292 -6.863 1.00 0.00 C ATOM 413 OG SER A 27 -6.446 -18.051 -7.815 1.00 0.00 O ATOM 0 H SER A 27 -7.710 -19.774 -4.956 1.00 0.00 H new ATOM 0 HA SER A 27 -6.039 -18.381 -5.395 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.228 -17.284 -7.129 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.829 -16.257 -6.882 1.00 0.00 H new ATOM 0 HG SER A 27 -6.770 -18.976 -7.811 1.00 0.00 H new ATOM 419 N VAL A 28 -5.836 -16.151 -4.195 1.00 0.00 N ATOM 420 CA VAL A 28 -5.703 -15.058 -3.239 1.00 0.00 C ATOM 421 C VAL A 28 -6.042 -13.718 -3.887 1.00 0.00 C ATOM 422 O VAL A 28 -5.205 -12.818 -3.957 1.00 0.00 O ATOM 423 CB VAL A 28 -4.279 -14.993 -2.660 1.00 0.00 C ATOM 424 CG1 VAL A 28 -3.967 -16.255 -1.870 1.00 0.00 C ATOM 425 CG2 VAL A 28 -3.264 -14.784 -3.773 1.00 0.00 C ATOM 0 H VAL A 28 -4.965 -16.416 -4.655 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.407 -15.254 -2.430 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.218 -14.144 -1.979 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.956 -16.192 -1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.678 -16.356 -1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.043 -17.123 -2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.261 -14.740 -3.348 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.323 -15.612 -4.479 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.479 -13.850 -4.291 1.00 0.00 H new ATOM 435 N THR A 29 -7.274 -13.597 -4.361 1.00 0.00 N ATOM 436 CA THR A 29 -7.730 -12.373 -5.006 1.00 0.00 C ATOM 437 C THR A 29 -8.969 -11.821 -4.316 1.00 0.00 C ATOM 438 O THR A 29 -9.448 -12.373 -3.327 1.00 0.00 O ATOM 439 CB THR A 29 -8.029 -12.625 -6.482 1.00 0.00 C ATOM 440 OG1 THR A 29 -8.892 -13.737 -6.640 1.00 0.00 O ATOM 441 CG2 THR A 29 -6.788 -12.884 -7.305 1.00 0.00 C ATOM 0 H THR A 29 -7.978 -14.334 -4.311 1.00 0.00 H new ATOM 0 HA THR A 29 -6.931 -11.636 -4.925 1.00 0.00 H new ATOM 0 HB THR A 29 -8.500 -11.710 -6.841 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.945 -13.978 -7.588 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.070 -13.055 -8.344 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.126 -12.020 -7.246 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.272 -13.763 -6.919 1.00 0.00 H new ATOM 449 N LEU A 30 -9.477 -10.725 -4.856 1.00 0.00 N ATOM 450 CA LEU A 30 -10.662 -10.072 -4.317 1.00 0.00 C ATOM 451 C LEU A 30 -11.650 -9.774 -5.449 1.00 0.00 C ATOM 452 O LEU A 30 -11.819 -10.589 -6.351 1.00 0.00 O ATOM 453 CB LEU A 30 -10.253 -8.787 -3.581 1.00 0.00 C ATOM 454 CG LEU A 30 -10.985 -8.521 -2.261 1.00 0.00 C ATOM 455 CD1 LEU A 30 -10.638 -7.140 -1.731 1.00 0.00 C ATOM 456 CD2 LEU A 30 -12.494 -8.667 -2.426 1.00 0.00 C ATOM 0 H LEU A 30 -9.083 -10.264 -5.676 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.155 -10.732 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.182 -8.829 -3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.420 -7.940 -4.246 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.655 -9.266 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.166 -6.967 -0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.563 -7.075 -1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.935 -6.385 -2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.985 -8.472 -1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.849 -7.954 -3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.728 -9.680 -2.754 1.00 0.00 H new ATOM 468 N SER A 31 -12.289 -8.609 -5.412 1.00 0.00 N ATOM 469 CA SER A 31 -13.233 -8.224 -6.446 1.00 0.00 C ATOM 470 C SER A 31 -13.507 -6.728 -6.363 1.00 0.00 C ATOM 471 O SER A 31 -13.672 -6.177 -5.274 1.00 0.00 O ATOM 472 CB SER A 31 -14.530 -9.027 -6.316 1.00 0.00 C ATOM 473 OG SER A 31 -15.500 -8.317 -5.572 1.00 0.00 O ATOM 0 H SER A 31 -12.167 -7.916 -4.674 1.00 0.00 H new ATOM 0 HA SER A 31 -12.801 -8.445 -7.422 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.922 -9.252 -7.308 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.323 -9.981 -5.831 1.00 0.00 H new ATOM 0 HG SER A 31 -16.396 -8.566 -5.881 1.00 0.00 H new ATOM 479 N LYS A 32 -13.536 -6.074 -7.514 1.00 0.00 N ATOM 480 CA LYS A 32 -13.767 -4.635 -7.573 1.00 0.00 C ATOM 481 C LYS A 32 -14.983 -4.221 -6.758 1.00 0.00 C ATOM 482 O LYS A 32 -14.991 -3.146 -6.159 1.00 0.00 O ATOM 483 CB LYS A 32 -13.940 -4.187 -9.027 1.00 0.00 C ATOM 484 CG LYS A 32 -14.807 -5.124 -9.854 1.00 0.00 C ATOM 485 CD LYS A 32 -15.398 -4.414 -11.061 1.00 0.00 C ATOM 486 CE LYS A 32 -16.781 -4.945 -11.397 1.00 0.00 C ATOM 487 NZ LYS A 32 -17.010 -5.009 -12.867 1.00 0.00 N ATOM 0 H LYS A 32 -13.402 -6.516 -8.423 1.00 0.00 H new ATOM 0 HA LYS A 32 -12.894 -4.146 -7.141 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -14.381 -3.190 -9.041 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -12.958 -4.108 -9.493 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -14.212 -5.975 -10.186 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -15.611 -5.520 -9.234 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -15.456 -3.344 -10.862 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.739 -4.543 -11.919 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -16.902 -5.939 -10.967 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -17.536 -4.306 -10.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -17.965 -5.376 -13.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.920 -4.056 -13.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -16.306 -5.639 -13.301 1.00 0.00 H new ATOM 501 N THR A 33 -16.015 -5.056 -6.738 1.00 0.00 N ATOM 502 CA THR A 33 -17.213 -4.735 -5.999 1.00 0.00 C ATOM 503 C THR A 33 -17.009 -4.889 -4.497 1.00 0.00 C ATOM 504 O THR A 33 -17.262 -3.956 -3.734 1.00 0.00 O ATOM 505 CB THR A 33 -18.358 -5.603 -6.474 1.00 0.00 C ATOM 506 OG1 THR A 33 -18.806 -5.196 -7.755 1.00 0.00 O ATOM 507 CG2 THR A 33 -19.530 -5.567 -5.540 1.00 0.00 C ATOM 0 H THR A 33 -16.040 -5.953 -7.224 1.00 0.00 H new ATOM 0 HA THR A 33 -17.455 -3.689 -6.186 1.00 0.00 H new ATOM 0 HB THR A 33 -17.966 -6.619 -6.512 1.00 0.00 H new ATOM 0 HG1 THR A 33 -19.545 -5.773 -8.042 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.324 -6.206 -5.927 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.223 -5.924 -4.557 1.00 0.00 H new ATOM 0 HG23 THR A 33 -19.897 -4.544 -5.456 1.00 0.00 H new ATOM 515 N GLU A 34 -16.533 -6.053 -4.071 1.00 0.00 N ATOM 516 CA GLU A 34 -16.282 -6.283 -2.655 1.00 0.00 C ATOM 517 C GLU A 34 -15.346 -5.204 -2.142 1.00 0.00 C ATOM 518 O GLU A 34 -15.380 -4.823 -0.972 1.00 0.00 O ATOM 519 CB GLU A 34 -15.682 -7.670 -2.423 1.00 0.00 C ATOM 520 CG GLU A 34 -16.672 -8.795 -2.657 1.00 0.00 C ATOM 521 CD GLU A 34 -16.328 -10.050 -1.878 1.00 0.00 C ATOM 522 OE1 GLU A 34 -15.129 -10.391 -1.802 1.00 0.00 O ATOM 523 OE2 GLU A 34 -17.257 -10.691 -1.346 1.00 0.00 O ATOM 0 H GLU A 34 -16.315 -6.843 -4.678 1.00 0.00 H new ATOM 0 HA GLU A 34 -17.226 -6.240 -2.111 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -14.826 -7.804 -3.085 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.307 -7.731 -1.401 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -17.670 -8.460 -2.375 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.704 -9.030 -3.721 1.00 0.00 H new ATOM 530 N PHE A 35 -14.525 -4.700 -3.056 1.00 0.00 N ATOM 531 CA PHE A 35 -13.585 -3.641 -2.750 1.00 0.00 C ATOM 532 C PHE A 35 -14.301 -2.301 -2.702 1.00 0.00 C ATOM 533 O PHE A 35 -14.060 -1.489 -1.809 1.00 0.00 O ATOM 534 CB PHE A 35 -12.482 -3.602 -3.798 1.00 0.00 C ATOM 535 CG PHE A 35 -11.190 -3.107 -3.244 1.00 0.00 C ATOM 536 CD1 PHE A 35 -11.102 -1.836 -2.708 1.00 0.00 C ATOM 537 CD2 PHE A 35 -10.070 -3.914 -3.244 1.00 0.00 C ATOM 538 CE1 PHE A 35 -9.916 -1.376 -2.184 1.00 0.00 C ATOM 539 CE2 PHE A 35 -8.880 -3.461 -2.721 1.00 0.00 C ATOM 540 CZ PHE A 35 -8.801 -2.188 -2.188 1.00 0.00 C ATOM 0 H PHE A 35 -14.496 -5.016 -4.025 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.141 -3.839 -1.774 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.339 -4.602 -4.209 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -12.791 -2.960 -4.623 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -11.973 -1.198 -2.700 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -10.128 -4.910 -3.658 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -9.858 -0.380 -1.770 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.009 -4.099 -2.727 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.869 -1.830 -1.776 1.00 0.00 H new ATOM 550 N LEU A 36 -15.192 -2.075 -3.666 1.00 0.00 N ATOM 551 CA LEU A 36 -15.941 -0.837 -3.718 1.00 0.00 C ATOM 552 C LEU A 36 -16.920 -0.755 -2.548 1.00 0.00 C ATOM 553 O LEU A 36 -17.343 0.331 -2.156 1.00 0.00 O ATOM 554 CB LEU A 36 -16.641 -0.729 -5.072 1.00 0.00 C ATOM 555 CG LEU A 36 -18.100 -1.160 -5.126 1.00 0.00 C ATOM 556 CD1 LEU A 36 -19.021 0.041 -5.001 1.00 0.00 C ATOM 557 CD2 LEU A 36 -18.336 -1.896 -6.429 1.00 0.00 C ATOM 0 H LEU A 36 -15.407 -2.734 -4.414 1.00 0.00 H new ATOM 0 HA LEU A 36 -15.265 0.012 -3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -16.580 0.307 -5.404 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -16.083 -1.328 -5.792 1.00 0.00 H new ATOM 0 HG LEU A 36 -18.321 -1.823 -4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -20.059 -0.290 -5.042 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -18.838 0.543 -4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -18.829 0.734 -5.820 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -19.378 -2.213 -6.485 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -18.113 -1.235 -7.266 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -17.688 -2.771 -6.475 1.00 0.00 H new ATOM 569 N SER A 37 -17.249 -1.912 -1.973 1.00 0.00 N ATOM 570 CA SER A 37 -18.144 -1.966 -0.824 1.00 0.00 C ATOM 571 C SER A 37 -17.369 -1.644 0.452 1.00 0.00 C ATOM 572 O SER A 37 -17.930 -1.150 1.430 1.00 0.00 O ATOM 573 CB SER A 37 -18.791 -3.348 -0.712 1.00 0.00 C ATOM 574 OG SER A 37 -20.028 -3.390 -1.402 1.00 0.00 O ATOM 0 H SER A 37 -16.908 -2.821 -2.286 1.00 0.00 H new ATOM 0 HA SER A 37 -18.933 -1.226 -0.960 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.118 -4.102 -1.120 1.00 0.00 H new ATOM 0 HB3 SER A 37 -18.948 -3.595 0.338 1.00 0.00 H new ATOM 0 HG SER A 37 -20.420 -4.284 -1.317 1.00 0.00 H new ATOM 580 N PHE A 38 -16.067 -1.919 0.421 1.00 0.00 N ATOM 581 CA PHE A 38 -15.190 -1.656 1.556 1.00 0.00 C ATOM 582 C PHE A 38 -15.007 -0.153 1.759 1.00 0.00 C ATOM 583 O PHE A 38 -14.699 0.304 2.858 1.00 0.00 O ATOM 584 CB PHE A 38 -13.829 -2.320 1.322 1.00 0.00 C ATOM 585 CG PHE A 38 -12.850 -2.125 2.444 1.00 0.00 C ATOM 586 CD1 PHE A 38 -12.075 -0.978 2.516 1.00 0.00 C ATOM 587 CD2 PHE A 38 -12.698 -3.094 3.423 1.00 0.00 C ATOM 588 CE1 PHE A 38 -11.169 -0.800 3.544 1.00 0.00 C ATOM 589 CE2 PHE A 38 -11.791 -2.922 4.453 1.00 0.00 C ATOM 590 CZ PHE A 38 -11.026 -1.773 4.513 1.00 0.00 C ATOM 0 H PHE A 38 -15.594 -2.327 -0.386 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.647 -2.072 2.454 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -13.980 -3.388 1.168 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -13.396 -1.923 0.404 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -12.181 -0.214 1.760 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -13.294 -3.993 3.381 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -10.573 0.100 3.589 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -11.681 -3.685 5.209 1.00 0.00 H new ATOM 0 HZ PHE A 38 -10.317 -1.636 5.316 1.00 0.00 H new ATOM 600 N MET A 39 -15.195 0.606 0.683 1.00 0.00 N ATOM 601 CA MET A 39 -15.047 2.056 0.726 1.00 0.00 C ATOM 602 C MET A 39 -16.201 2.717 1.475 1.00 0.00 C ATOM 603 O MET A 39 -15.998 3.647 2.249 1.00 0.00 O ATOM 604 CB MET A 39 -14.973 2.616 -0.696 1.00 0.00 C ATOM 605 CG MET A 39 -14.086 3.842 -0.823 1.00 0.00 C ATOM 606 SD MET A 39 -12.443 3.442 -1.442 1.00 0.00 S ATOM 607 CE MET A 39 -11.751 2.592 -0.026 1.00 0.00 C ATOM 0 H MET A 39 -15.451 0.238 -0.233 1.00 0.00 H new ATOM 0 HA MET A 39 -14.123 2.279 1.260 1.00 0.00 H new ATOM 0 HB2 MET A 39 -14.602 1.839 -1.364 1.00 0.00 H new ATOM 0 HB3 MET A 39 -15.979 2.870 -1.030 1.00 0.00 H new ATOM 0 HG2 MET A 39 -14.558 4.561 -1.493 1.00 0.00 H new ATOM 0 HG3 MET A 39 -13.997 4.325 0.150 1.00 0.00 H new ATOM 0 HE1 MET A 39 -10.873 2.024 -0.336 1.00 0.00 H new ATOM 0 HE2 MET A 39 -11.463 3.321 0.731 1.00 0.00 H new ATOM 0 HE3 MET A 39 -12.495 1.912 0.390 1.00 0.00 H new ATOM 617 N ASN A 40 -17.412 2.240 1.235 1.00 0.00 N ATOM 618 CA ASN A 40 -18.593 2.799 1.891 1.00 0.00 C ATOM 619 C ASN A 40 -18.668 2.378 3.355 1.00 0.00 C ATOM 620 O ASN A 40 -19.381 2.992 4.149 1.00 0.00 O ATOM 621 CB ASN A 40 -19.891 2.400 1.166 1.00 0.00 C ATOM 622 CG ASN A 40 -19.751 1.164 0.297 1.00 0.00 C ATOM 623 OD1 ASN A 40 -19.971 0.042 0.752 1.00 0.00 O ATOM 624 ND2 ASN A 40 -19.384 1.369 -0.963 1.00 0.00 N ATOM 0 H ASN A 40 -17.607 1.471 0.594 1.00 0.00 H new ATOM 0 HA ASN A 40 -18.493 3.883 1.843 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -20.671 2.226 1.907 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -20.221 3.233 0.546 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -19.274 0.578 -1.597 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -19.212 2.318 -1.296 1.00 0.00 H new ATOM 631 N THR A 41 -17.954 1.313 3.703 1.00 0.00 N ATOM 632 CA THR A 41 -17.975 0.800 5.068 1.00 0.00 C ATOM 633 C THR A 41 -16.690 1.106 5.838 1.00 0.00 C ATOM 634 O THR A 41 -16.668 1.974 6.710 1.00 0.00 O ATOM 635 CB THR A 41 -18.201 -0.711 5.041 1.00 0.00 C ATOM 636 OG1 THR A 41 -17.289 -1.338 4.157 1.00 0.00 O ATOM 637 CG2 THR A 41 -19.596 -1.101 4.611 1.00 0.00 C ATOM 0 H THR A 41 -17.356 0.790 3.063 1.00 0.00 H new ATOM 0 HA THR A 41 -18.790 1.304 5.587 1.00 0.00 H new ATOM 0 HB THR A 41 -18.049 -1.043 6.068 1.00 0.00 H new ATOM 0 HG1 THR A 41 -17.596 -1.221 3.234 1.00 0.00 H new ATOM 0 HG21 THR A 41 -19.687 -2.187 4.614 1.00 0.00 H new ATOM 0 HG22 THR A 41 -20.323 -0.674 5.302 1.00 0.00 H new ATOM 0 HG23 THR A 41 -19.786 -0.724 3.606 1.00 0.00 H new ATOM 645 N GLU A 42 -15.639 0.352 5.539 1.00 0.00 N ATOM 646 CA GLU A 42 -14.357 0.495 6.231 1.00 0.00 C ATOM 647 C GLU A 42 -13.650 1.814 5.919 1.00 0.00 C ATOM 648 O GLU A 42 -12.954 2.363 6.772 1.00 0.00 O ATOM 649 CB GLU A 42 -13.445 -0.678 5.877 1.00 0.00 C ATOM 650 CG GLU A 42 -13.992 -2.026 6.320 1.00 0.00 C ATOM 651 CD GLU A 42 -13.122 -2.696 7.365 1.00 0.00 C ATOM 652 OE1 GLU A 42 -11.883 -2.677 7.206 1.00 0.00 O ATOM 653 OE2 GLU A 42 -13.679 -3.237 8.343 1.00 0.00 O ATOM 0 H GLU A 42 -15.647 -0.370 4.818 1.00 0.00 H new ATOM 0 HA GLU A 42 -14.573 0.498 7.299 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.289 -0.695 4.798 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.469 -0.521 6.337 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -14.996 -1.892 6.721 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -14.080 -2.680 5.453 1.00 0.00 H new ATOM 660 N LEU A 43 -13.816 2.316 4.703 1.00 0.00 N ATOM 661 CA LEU A 43 -13.175 3.565 4.305 1.00 0.00 C ATOM 662 C LEU A 43 -14.212 4.583 3.862 1.00 0.00 C ATOM 663 O LEU A 43 -14.041 5.266 2.852 1.00 0.00 O ATOM 664 CB LEU A 43 -12.169 3.308 3.183 1.00 0.00 C ATOM 665 CG LEU A 43 -10.778 2.876 3.651 1.00 0.00 C ATOM 666 CD1 LEU A 43 -9.869 2.622 2.459 1.00 0.00 C ATOM 667 CD2 LEU A 43 -10.177 3.927 4.573 1.00 0.00 C ATOM 0 H LEU A 43 -14.386 1.881 3.977 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.644 3.970 5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.570 2.538 2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -12.070 4.216 2.588 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.875 1.945 4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.884 2.316 2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.294 1.833 1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.776 3.535 1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.188 3.604 4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.093 4.874 4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.819 4.057 5.444 1.00 0.00 H new ATOM 679 N ALA A 44 -15.290 4.674 4.626 1.00 0.00 N ATOM 680 CA ALA A 44 -16.370 5.600 4.324 1.00 0.00 C ATOM 681 C ALA A 44 -15.968 7.029 4.663 1.00 0.00 C ATOM 682 O ALA A 44 -16.488 7.986 4.090 1.00 0.00 O ATOM 683 CB ALA A 44 -17.622 5.196 5.082 1.00 0.00 C ATOM 0 H ALA A 44 -15.440 4.114 5.465 1.00 0.00 H new ATOM 0 HA ALA A 44 -16.579 5.559 3.255 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -18.428 5.893 4.852 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.918 4.189 4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -17.421 5.215 6.153 1.00 0.00 H new ATOM 689 N ALA A 45 -15.029 7.164 5.591 1.00 0.00 N ATOM 690 CA ALA A 45 -14.542 8.471 6.002 1.00 0.00 C ATOM 691 C ALA A 45 -13.867 9.189 4.837 1.00 0.00 C ATOM 692 O ALA A 45 -13.770 10.416 4.822 1.00 0.00 O ATOM 693 CB ALA A 45 -13.579 8.315 7.169 1.00 0.00 C ATOM 0 H ALA A 45 -14.589 6.380 6.074 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.389 9.078 6.321 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.216 9.296 7.475 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.094 7.842 8.005 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.736 7.695 6.865 1.00 0.00 H new ATOM 699 N PHE A 46 -13.403 8.413 3.859 1.00 0.00 N ATOM 700 CA PHE A 46 -12.738 8.969 2.686 1.00 0.00 C ATOM 701 C PHE A 46 -13.723 9.141 1.531 1.00 0.00 C ATOM 702 O PHE A 46 -13.546 10.010 0.678 1.00 0.00 O ATOM 703 CB PHE A 46 -11.580 8.064 2.256 1.00 0.00 C ATOM 704 CG PHE A 46 -10.411 8.093 3.202 1.00 0.00 C ATOM 705 CD1 PHE A 46 -9.971 9.288 3.749 1.00 0.00 C ATOM 706 CD2 PHE A 46 -9.751 6.922 3.541 1.00 0.00 C ATOM 707 CE1 PHE A 46 -8.897 9.315 4.618 1.00 0.00 C ATOM 708 CE2 PHE A 46 -8.677 6.943 4.409 1.00 0.00 C ATOM 709 CZ PHE A 46 -8.249 8.141 4.949 1.00 0.00 C ATOM 0 H PHE A 46 -13.476 7.396 3.858 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.345 9.950 2.952 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -11.943 7.040 2.171 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.242 8.366 1.265 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -10.474 10.209 3.493 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -10.080 5.983 3.122 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.565 10.253 5.038 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.172 6.024 4.666 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.410 8.159 5.628 1.00 0.00 H new ATOM 719 N THR A 47 -14.759 8.307 1.511 1.00 0.00 N ATOM 720 CA THR A 47 -15.770 8.367 0.460 1.00 0.00 C ATOM 721 C THR A 47 -17.167 8.515 1.058 1.00 0.00 C ATOM 722 O THR A 47 -18.115 7.867 0.613 1.00 0.00 O ATOM 723 CB THR A 47 -15.705 7.111 -0.411 1.00 0.00 C ATOM 724 OG1 THR A 47 -16.603 7.211 -1.502 1.00 0.00 O ATOM 725 CG2 THR A 47 -16.038 5.841 0.343 1.00 0.00 C ATOM 0 H THR A 47 -14.920 7.582 2.210 1.00 0.00 H new ATOM 0 HA THR A 47 -15.565 9.240 -0.159 1.00 0.00 H new ATOM 0 HB THR A 47 -14.672 7.050 -0.753 1.00 0.00 H new ATOM 0 HG1 THR A 47 -17.518 7.307 -1.165 1.00 0.00 H new ATOM 0 HG21 THR A 47 -15.973 4.989 -0.333 1.00 0.00 H new ATOM 0 HG22 THR A 47 -15.332 5.709 1.162 1.00 0.00 H new ATOM 0 HG23 THR A 47 -17.049 5.910 0.743 1.00 0.00 H new ATOM 733 N LYS A 48 -17.286 9.368 2.069 1.00 0.00 N ATOM 734 CA LYS A 48 -18.567 9.598 2.729 1.00 0.00 C ATOM 735 C LYS A 48 -19.374 10.668 1.998 1.00 0.00 C ATOM 736 O LYS A 48 -20.375 10.368 1.349 1.00 0.00 O ATOM 737 CB LYS A 48 -18.344 10.011 4.186 1.00 0.00 C ATOM 738 CG LYS A 48 -18.929 9.032 5.191 1.00 0.00 C ATOM 739 CD LYS A 48 -18.550 9.403 6.615 1.00 0.00 C ATOM 740 CE LYS A 48 -19.554 10.367 7.225 1.00 0.00 C ATOM 741 NZ LYS A 48 -20.953 9.880 7.077 1.00 0.00 N ATOM 0 H LYS A 48 -16.512 9.912 2.450 1.00 0.00 H new ATOM 0 HA LYS A 48 -19.134 8.667 2.705 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -17.274 10.109 4.368 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.787 10.994 4.348 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -20.015 9.015 5.095 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -18.574 8.026 4.969 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -18.493 8.501 7.224 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -17.558 9.856 6.623 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -19.328 10.505 8.282 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -19.457 11.342 6.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -21.527 10.225 7.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -21.351 10.234 6.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -20.960 8.840 7.070 1.00 0.00 H new ATOM 755 N ASN A 49 -18.932 11.915 2.111 1.00 0.00 N ATOM 756 CA ASN A 49 -19.615 13.029 1.462 1.00 0.00 C ATOM 757 C ASN A 49 -19.086 13.261 0.046 1.00 0.00 C ATOM 758 O ASN A 49 -19.413 14.264 -0.588 1.00 0.00 O ATOM 759 CB ASN A 49 -19.453 14.305 2.291 1.00 0.00 C ATOM 760 CG ASN A 49 -19.924 14.127 3.721 1.00 0.00 C ATOM 761 OD1 ASN A 49 -19.750 13.066 4.318 1.00 0.00 O ATOM 762 ND2 ASN A 49 -20.525 15.172 4.279 1.00 0.00 N ATOM 0 H ASN A 49 -18.105 12.181 2.645 1.00 0.00 H new ATOM 0 HA ASN A 49 -20.672 12.774 1.392 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -18.405 14.605 2.291 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -20.016 15.113 1.824 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -20.863 15.113 5.240 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -20.648 16.033 3.747 1.00 0.00 H new ATOM 769 N GLN A 50 -18.270 12.332 -0.446 1.00 0.00 N ATOM 770 CA GLN A 50 -17.705 12.446 -1.786 1.00 0.00 C ATOM 771 C GLN A 50 -16.923 13.748 -1.941 1.00 0.00 C ATOM 772 O GLN A 50 -16.965 14.389 -2.991 1.00 0.00 O ATOM 773 CB GLN A 50 -18.816 12.368 -2.838 1.00 0.00 C ATOM 774 CG GLN A 50 -18.653 11.213 -3.813 1.00 0.00 C ATOM 775 CD GLN A 50 -17.282 11.185 -4.460 1.00 0.00 C ATOM 776 OE1 GLN A 50 -17.057 11.817 -5.491 1.00 0.00 O ATOM 777 NE2 GLN A 50 -16.358 10.447 -3.854 1.00 0.00 N ATOM 0 H GLN A 50 -17.986 11.494 0.062 1.00 0.00 H new ATOM 0 HA GLN A 50 -17.016 11.615 -1.936 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -19.777 12.273 -2.333 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -18.841 13.303 -3.397 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -18.822 10.273 -3.288 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -19.415 11.287 -4.589 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -16.590 9.939 -3.000 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.417 10.388 -4.243 1.00 0.00 H new ATOM 786 N LYS A 51 -16.211 14.134 -0.885 1.00 0.00 N ATOM 787 CA LYS A 51 -15.420 15.360 -0.904 1.00 0.00 C ATOM 788 C LYS A 51 -14.445 15.362 -2.078 1.00 0.00 C ATOM 789 O LYS A 51 -14.210 16.396 -2.702 1.00 0.00 O ATOM 790 CB LYS A 51 -14.654 15.516 0.413 1.00 0.00 C ATOM 791 CG LYS A 51 -14.804 16.891 1.043 1.00 0.00 C ATOM 792 CD LYS A 51 -13.470 17.433 1.532 1.00 0.00 C ATOM 793 CE LYS A 51 -13.566 17.951 2.958 1.00 0.00 C ATOM 794 NZ LYS A 51 -12.355 17.613 3.756 1.00 0.00 N ATOM 0 H LYS A 51 -16.166 13.616 -0.007 1.00 0.00 H new ATOM 0 HA LYS A 51 -16.102 16.202 -1.022 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -15.003 14.762 1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.597 15.320 0.234 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -15.232 17.580 0.315 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.502 16.835 1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.716 16.648 1.479 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.140 18.237 0.874 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.700 19.033 2.943 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.447 17.527 3.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.461 17.984 4.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.241 16.580 3.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.517 18.039 3.312 1.00 0.00 H new ATOM 808 N ASP A 52 -13.884 14.194 -2.374 1.00 0.00 N ATOM 809 CA ASP A 52 -12.937 14.057 -3.474 1.00 0.00 C ATOM 810 C ASP A 52 -13.299 12.860 -4.355 1.00 0.00 C ATOM 811 O ASP A 52 -13.028 11.714 -3.997 1.00 0.00 O ATOM 812 CB ASP A 52 -11.516 13.896 -2.932 1.00 0.00 C ATOM 813 CG ASP A 52 -10.800 15.223 -2.782 1.00 0.00 C ATOM 814 OD1 ASP A 52 -10.944 15.859 -1.717 1.00 0.00 O ATOM 815 OD2 ASP A 52 -10.095 15.628 -3.730 1.00 0.00 O ATOM 0 H ASP A 52 -14.069 13.329 -1.867 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.986 14.961 -4.081 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.554 13.396 -1.964 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.946 13.252 -3.602 1.00 0.00 H new ATOM 820 N PRO A 53 -13.923 13.112 -5.521 1.00 0.00 N ATOM 821 CA PRO A 53 -14.328 12.051 -6.452 1.00 0.00 C ATOM 822 C PRO A 53 -13.141 11.381 -7.145 1.00 0.00 C ATOM 823 O PRO A 53 -13.321 10.462 -7.945 1.00 0.00 O ATOM 824 CB PRO A 53 -15.201 12.780 -7.488 1.00 0.00 C ATOM 825 CG PRO A 53 -15.462 14.134 -6.914 1.00 0.00 C ATOM 826 CD PRO A 53 -14.294 14.440 -6.025 1.00 0.00 C ATOM 0 HA PRO A 53 -14.843 11.245 -5.929 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -14.690 12.853 -8.448 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -16.133 12.242 -7.663 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -15.557 14.880 -7.703 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -16.395 14.145 -6.350 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -13.477 14.908 -6.574 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -14.566 15.119 -5.217 1.00 0.00 H new ATOM 834 N GLY A 54 -11.930 11.841 -6.841 1.00 0.00 N ATOM 835 CA GLY A 54 -10.746 11.268 -7.453 1.00 0.00 C ATOM 836 C GLY A 54 -10.034 10.284 -6.543 1.00 0.00 C ATOM 837 O GLY A 54 -8.989 9.746 -6.903 1.00 0.00 O ATOM 0 H GLY A 54 -11.749 12.599 -6.183 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.028 10.763 -8.377 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.058 12.069 -7.724 1.00 0.00 H new ATOM 841 N VAL A 55 -10.591 10.050 -5.361 1.00 0.00 N ATOM 842 CA VAL A 55 -9.993 9.123 -4.410 1.00 0.00 C ATOM 843 C VAL A 55 -10.416 7.685 -4.692 1.00 0.00 C ATOM 844 O VAL A 55 -9.585 6.822 -4.971 1.00 0.00 O ATOM 845 CB VAL A 55 -10.382 9.478 -2.962 1.00 0.00 C ATOM 846 CG1 VAL A 55 -9.614 8.615 -1.975 1.00 0.00 C ATOM 847 CG2 VAL A 55 -10.148 10.955 -2.690 1.00 0.00 C ATOM 0 H VAL A 55 -11.454 10.489 -5.039 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.913 9.210 -4.527 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.445 9.276 -2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.903 8.881 -0.958 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.844 7.565 -2.155 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.544 8.780 -2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.429 11.185 -1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.094 11.190 -2.839 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.753 11.551 -3.373 1.00 0.00 H new ATOM 857 N LEU A 56 -11.717 7.440 -4.596 1.00 0.00 N ATOM 858 CA LEU A 56 -12.276 6.111 -4.815 1.00 0.00 C ATOM 859 C LEU A 56 -12.310 5.749 -6.299 1.00 0.00 C ATOM 860 O LEU A 56 -11.852 4.680 -6.697 1.00 0.00 O ATOM 861 CB LEU A 56 -13.685 6.063 -4.217 1.00 0.00 C ATOM 862 CG LEU A 56 -14.619 4.986 -4.770 1.00 0.00 C ATOM 863 CD1 LEU A 56 -14.260 3.623 -4.204 1.00 0.00 C ATOM 864 CD2 LEU A 56 -16.060 5.342 -4.448 1.00 0.00 C ATOM 0 H LEU A 56 -12.411 8.151 -4.366 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.638 5.377 -4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -13.595 5.918 -3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -14.155 7.035 -4.370 1.00 0.00 H new ATOM 0 HG LEU A 56 -14.503 4.939 -5.853 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -14.936 2.871 -4.610 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -13.235 3.374 -4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -14.351 3.645 -3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -16.722 4.572 -4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.186 5.408 -3.367 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -16.308 6.302 -4.901 1.00 0.00 H new ATOM 876 N ASP A 57 -12.870 6.638 -7.106 1.00 0.00 N ATOM 877 CA ASP A 57 -12.984 6.406 -8.542 1.00 0.00 C ATOM 878 C ASP A 57 -11.624 6.114 -9.171 1.00 0.00 C ATOM 879 O ASP A 57 -11.524 5.340 -10.122 1.00 0.00 O ATOM 880 CB ASP A 57 -13.621 7.620 -9.217 1.00 0.00 C ATOM 881 CG ASP A 57 -14.423 7.244 -10.448 1.00 0.00 C ATOM 882 OD1 ASP A 57 -15.630 6.961 -10.305 1.00 0.00 O ATOM 883 OD2 ASP A 57 -13.843 7.233 -11.553 1.00 0.00 O ATOM 0 H ASP A 57 -13.254 7.529 -6.792 1.00 0.00 H new ATOM 0 HA ASP A 57 -13.617 5.532 -8.692 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.271 8.129 -8.505 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.840 8.327 -9.498 1.00 0.00 H new ATOM 888 N ARG A 58 -10.582 6.742 -8.639 1.00 0.00 N ATOM 889 CA ARG A 58 -9.233 6.557 -9.151 1.00 0.00 C ATOM 890 C ARG A 58 -8.751 5.121 -8.965 1.00 0.00 C ATOM 891 O ARG A 58 -8.094 4.562 -9.843 1.00 0.00 O ATOM 892 CB ARG A 58 -8.285 7.523 -8.446 1.00 0.00 C ATOM 893 CG ARG A 58 -6.903 7.585 -9.062 1.00 0.00 C ATOM 894 CD ARG A 58 -5.994 6.496 -8.514 1.00 0.00 C ATOM 895 NE ARG A 58 -4.597 6.712 -8.885 1.00 0.00 N ATOM 896 CZ ARG A 58 -3.804 7.605 -8.299 1.00 0.00 C ATOM 897 NH1 ARG A 58 -4.265 8.370 -7.317 1.00 0.00 N ATOM 898 NH2 ARG A 58 -2.545 7.735 -8.695 1.00 0.00 N ATOM 0 H ARG A 58 -10.648 7.386 -7.850 1.00 0.00 H new ATOM 0 HA ARG A 58 -9.244 6.764 -10.221 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -8.723 8.521 -8.459 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -8.193 7.229 -7.400 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.982 7.483 -10.144 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.460 8.562 -8.866 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.080 6.464 -7.428 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.323 5.527 -8.888 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.207 6.145 -9.638 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.232 8.275 -7.008 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.652 9.053 -6.872 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.185 7.150 -9.449 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.937 8.420 -8.246 1.00 0.00 H new ATOM 911 N MET A 59 -9.066 4.530 -7.817 1.00 0.00 N ATOM 912 CA MET A 59 -8.644 3.162 -7.528 1.00 0.00 C ATOM 913 C MET A 59 -9.234 2.181 -8.530 1.00 0.00 C ATOM 914 O MET A 59 -8.515 1.400 -9.152 1.00 0.00 O ATOM 915 CB MET A 59 -9.056 2.783 -6.098 1.00 0.00 C ATOM 916 CG MET A 59 -10.380 2.018 -5.973 1.00 0.00 C ATOM 917 SD MET A 59 -10.606 1.238 -4.361 1.00 0.00 S ATOM 918 CE MET A 59 -9.570 2.268 -3.334 1.00 0.00 C ATOM 0 H MET A 59 -9.609 4.973 -7.075 1.00 0.00 H new ATOM 0 HA MET A 59 -7.559 3.110 -7.614 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.264 2.177 -5.659 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.126 3.695 -5.505 1.00 0.00 H new ATOM 0 HG2 MET A 59 -11.207 2.705 -6.156 1.00 0.00 H new ATOM 0 HG3 MET A 59 -10.424 1.253 -6.748 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.274 1.713 -2.443 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.680 2.560 -3.892 1.00 0.00 H new ATOM 0 HE3 MET A 59 -10.122 3.160 -3.039 1.00 0.00 H new ATOM 928 N MET A 60 -10.548 2.221 -8.662 1.00 0.00 N ATOM 929 CA MET A 60 -11.251 1.325 -9.572 1.00 0.00 C ATOM 930 C MET A 60 -10.947 1.659 -11.028 1.00 0.00 C ATOM 931 O MET A 60 -10.956 0.780 -11.890 1.00 0.00 O ATOM 932 CB MET A 60 -12.756 1.382 -9.311 1.00 0.00 C ATOM 933 CG MET A 60 -13.146 0.841 -7.945 1.00 0.00 C ATOM 934 SD MET A 60 -13.579 -0.907 -7.990 1.00 0.00 S ATOM 935 CE MET A 60 -12.056 -1.608 -8.621 1.00 0.00 C ATOM 0 H MET A 60 -11.153 2.864 -8.151 1.00 0.00 H new ATOM 0 HA MET A 60 -10.898 0.311 -9.386 1.00 0.00 H new ATOM 0 HB2 MET A 60 -13.094 2.415 -9.396 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.274 0.812 -10.082 1.00 0.00 H new ATOM 0 HG2 MET A 60 -12.319 0.989 -7.250 1.00 0.00 H new ATOM 0 HG3 MET A 60 -13.992 1.411 -7.560 1.00 0.00 H new ATOM 0 HE1 MET A 60 -11.967 -2.643 -8.291 1.00 0.00 H new ATOM 0 HE2 MET A 60 -12.064 -1.574 -9.710 1.00 0.00 H new ATOM 0 HE3 MET A 60 -11.209 -1.034 -8.246 1.00 0.00 H new ATOM 945 N LYS A 61 -10.669 2.927 -11.294 1.00 0.00 N ATOM 946 CA LYS A 61 -10.350 3.368 -12.646 1.00 0.00 C ATOM 947 C LYS A 61 -8.910 3.007 -13.000 1.00 0.00 C ATOM 948 O LYS A 61 -8.657 2.301 -13.976 1.00 0.00 O ATOM 949 CB LYS A 61 -10.556 4.878 -12.780 1.00 0.00 C ATOM 950 CG LYS A 61 -12.011 5.279 -12.961 1.00 0.00 C ATOM 951 CD LYS A 61 -12.635 4.582 -14.159 1.00 0.00 C ATOM 952 CE LYS A 61 -13.912 5.277 -14.606 1.00 0.00 C ATOM 953 NZ LYS A 61 -14.113 5.177 -16.077 1.00 0.00 N ATOM 0 H LYS A 61 -10.658 3.668 -10.593 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.021 2.859 -13.338 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.160 5.371 -11.892 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.979 5.241 -13.631 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.573 5.031 -12.061 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.079 6.359 -13.091 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -11.922 4.564 -14.983 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.854 3.545 -13.904 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -14.765 4.834 -14.092 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.875 6.327 -14.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -14.994 5.663 -16.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -13.311 5.622 -16.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.174 4.176 -16.352 1.00 0.00 H new ATOM 967 N LYS A 62 -7.974 3.496 -12.194 1.00 0.00 N ATOM 968 CA LYS A 62 -6.555 3.231 -12.408 1.00 0.00 C ATOM 969 C LYS A 62 -6.150 1.854 -11.876 1.00 0.00 C ATOM 970 O LYS A 62 -4.966 1.516 -11.867 1.00 0.00 O ATOM 971 CB LYS A 62 -5.709 4.312 -11.735 1.00 0.00 C ATOM 972 CG LYS A 62 -5.771 5.657 -12.436 1.00 0.00 C ATOM 973 CD LYS A 62 -7.183 6.220 -12.437 1.00 0.00 C ATOM 974 CE LYS A 62 -7.195 7.692 -12.820 1.00 0.00 C ATOM 975 NZ LYS A 62 -8.531 8.127 -13.311 1.00 0.00 N ATOM 0 H LYS A 62 -8.173 4.081 -11.382 1.00 0.00 H new ATOM 0 HA LYS A 62 -6.377 3.244 -13.483 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.042 4.433 -10.704 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.672 3.979 -11.697 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -5.099 6.358 -11.941 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.420 5.550 -13.462 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.800 5.656 -13.136 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.626 6.096 -11.449 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.912 8.294 -11.957 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.448 7.872 -13.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.497 9.136 -13.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.791 7.570 -14.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.240 7.979 -12.565 1.00 0.00 H new ATOM 989 N LEU A 63 -7.128 1.065 -11.428 1.00 0.00 N ATOM 990 CA LEU A 63 -6.854 -0.268 -10.891 1.00 0.00 C ATOM 991 C LEU A 63 -5.875 -1.028 -11.768 1.00 0.00 C ATOM 992 O LEU A 63 -5.082 -1.835 -11.283 1.00 0.00 O ATOM 993 CB LEU A 63 -8.158 -1.058 -10.725 1.00 0.00 C ATOM 994 CG LEU A 63 -8.652 -1.797 -11.973 1.00 0.00 C ATOM 995 CD1 LEU A 63 -9.826 -2.697 -11.625 1.00 0.00 C ATOM 996 CD2 LEU A 63 -9.036 -0.809 -13.067 1.00 0.00 C ATOM 0 H LEU A 63 -8.114 1.325 -11.426 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.394 -0.145 -9.911 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.021 -1.786 -9.925 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.939 -0.370 -10.400 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.840 -2.420 -12.349 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.166 -3.215 -12.522 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.515 -3.429 -10.879 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.641 -2.094 -11.224 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.384 -1.355 -13.944 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.832 -0.157 -12.706 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.168 -0.207 -13.335 1.00 0.00 H new ATOM 1008 N ASP A 64 -5.932 -0.749 -13.057 1.00 0.00 N ATOM 1009 CA ASP A 64 -5.054 -1.380 -14.024 1.00 0.00 C ATOM 1010 C ASP A 64 -4.862 -2.871 -13.743 1.00 0.00 C ATOM 1011 O ASP A 64 -3.932 -3.265 -13.040 1.00 0.00 O ATOM 1012 CB ASP A 64 -3.697 -0.675 -14.048 1.00 0.00 C ATOM 1013 CG ASP A 64 -3.006 -0.797 -15.393 1.00 0.00 C ATOM 1014 OD1 ASP A 64 -3.629 -0.440 -16.414 1.00 0.00 O ATOM 1015 OD2 ASP A 64 -1.841 -1.247 -15.423 1.00 0.00 O ATOM 0 H ASP A 64 -6.587 -0.080 -13.462 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.531 -1.288 -15.000 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.834 0.379 -13.807 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.057 -1.098 -13.274 1.00 0.00 H new ATOM 1020 N LEU A 65 -5.744 -3.694 -14.301 1.00 0.00 N ATOM 1021 CA LEU A 65 -5.662 -5.138 -14.113 1.00 0.00 C ATOM 1022 C LEU A 65 -6.521 -5.871 -15.139 1.00 0.00 C ATOM 1023 O LEU A 65 -7.726 -5.636 -15.237 1.00 0.00 O ATOM 1024 CB LEU A 65 -6.098 -5.520 -12.697 1.00 0.00 C ATOM 1025 CG LEU A 65 -7.596 -5.386 -12.419 1.00 0.00 C ATOM 1026 CD1 LEU A 65 -8.293 -6.728 -12.584 1.00 0.00 C ATOM 1027 CD2 LEU A 65 -7.830 -4.830 -11.024 1.00 0.00 C ATOM 0 H LEU A 65 -6.522 -3.387 -14.885 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.623 -5.437 -14.256 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.800 -6.551 -12.508 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.556 -4.897 -11.986 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.019 -4.690 -13.143 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.358 -6.612 -12.382 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.154 -7.087 -13.604 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.867 -7.448 -11.885 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.901 -4.741 -10.843 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.392 -5.502 -10.286 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.365 -3.848 -10.941 1.00 0.00 H new ATOM 1039 N ASN A 66 -5.893 -6.759 -15.902 1.00 0.00 N ATOM 1040 CA ASN A 66 -6.599 -7.529 -16.919 1.00 0.00 C ATOM 1041 C ASN A 66 -6.075 -8.961 -16.981 1.00 0.00 C ATOM 1042 O ASN A 66 -6.195 -9.632 -18.006 1.00 0.00 O ATOM 1043 CB ASN A 66 -6.457 -6.858 -18.288 1.00 0.00 C ATOM 1044 CG ASN A 66 -7.799 -6.504 -18.898 1.00 0.00 C ATOM 1045 OD1 ASN A 66 -8.079 -6.837 -20.050 1.00 0.00 O ATOM 1046 ND2 ASN A 66 -8.638 -5.822 -18.126 1.00 0.00 N ATOM 0 H ASN A 66 -4.896 -6.963 -15.835 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.654 -7.561 -16.647 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.857 -5.954 -18.186 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.918 -7.524 -18.962 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -9.555 -5.554 -18.482 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.365 -5.567 -17.177 1.00 0.00 H new ATOM 1053 N SER A 67 -5.497 -9.425 -15.876 1.00 0.00 N ATOM 1054 CA SER A 67 -4.958 -10.779 -15.806 1.00 0.00 C ATOM 1055 C SER A 67 -5.677 -11.589 -14.735 1.00 0.00 C ATOM 1056 O SER A 67 -6.202 -11.033 -13.770 1.00 0.00 O ATOM 1057 CB SER A 67 -3.456 -10.742 -15.516 1.00 0.00 C ATOM 1058 OG SER A 67 -2.764 -11.706 -16.291 1.00 0.00 O ATOM 0 H SER A 67 -5.390 -8.884 -15.018 1.00 0.00 H new ATOM 0 HA SER A 67 -5.118 -11.259 -16.771 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.065 -9.748 -15.732 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.282 -10.929 -14.456 1.00 0.00 H new ATOM 0 HG SER A 67 -1.806 -11.662 -16.089 1.00 0.00 H new ATOM 1064 N ASP A 68 -5.704 -12.907 -14.913 1.00 0.00 N ATOM 1065 CA ASP A 68 -6.366 -13.798 -13.964 1.00 0.00 C ATOM 1066 C ASP A 68 -7.883 -13.647 -14.049 1.00 0.00 C ATOM 1067 O ASP A 68 -8.594 -14.601 -14.364 1.00 0.00 O ATOM 1068 CB ASP A 68 -5.887 -13.515 -12.537 1.00 0.00 C ATOM 1069 CG ASP A 68 -5.447 -14.774 -11.815 1.00 0.00 C ATOM 1070 OD1 ASP A 68 -4.405 -15.345 -12.200 1.00 0.00 O ATOM 1071 OD2 ASP A 68 -6.145 -15.189 -10.866 1.00 0.00 O ATOM 0 H ASP A 68 -5.275 -13.382 -15.707 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.105 -14.824 -14.224 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.057 -12.809 -12.568 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.690 -13.039 -11.975 1.00 0.00 H new ATOM 1076 N GLY A 69 -8.370 -12.442 -13.768 1.00 0.00 N ATOM 1077 CA GLY A 69 -9.797 -12.186 -13.821 1.00 0.00 C ATOM 1078 C GLY A 69 -10.365 -11.747 -12.484 1.00 0.00 C ATOM 1079 O GLY A 69 -11.575 -11.806 -12.271 1.00 0.00 O ATOM 0 H GLY A 69 -7.801 -11.638 -13.504 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.996 -11.416 -14.566 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.312 -13.089 -14.151 1.00 0.00 H new ATOM 1083 N GLN A 70 -9.492 -11.304 -11.583 1.00 0.00 N ATOM 1084 CA GLN A 70 -9.920 -10.856 -10.265 1.00 0.00 C ATOM 1085 C GLN A 70 -8.978 -9.791 -9.714 1.00 0.00 C ATOM 1086 O GLN A 70 -8.037 -9.371 -10.386 1.00 0.00 O ATOM 1087 CB GLN A 70 -9.989 -12.041 -9.298 1.00 0.00 C ATOM 1088 CG GLN A 70 -11.329 -12.758 -9.306 1.00 0.00 C ATOM 1089 CD GLN A 70 -12.358 -12.067 -8.437 1.00 0.00 C ATOM 1090 OE1 GLN A 70 -12.683 -10.824 -8.776 1.00 0.00 O flip ATOM 1091 NE2 GLN A 70 -12.858 -12.643 -7.470 1.00 0.00 N flip ATOM 0 H GLN A 70 -8.486 -11.246 -11.743 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.913 -10.417 -10.366 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.204 -12.753 -9.553 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.782 -11.687 -8.288 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.701 -12.816 -10.329 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.192 -13.782 -8.958 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.579 -13.598 -7.245 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.551 -12.165 -6.894 1.00 0.00 H new ATOM 1100 N LEU A 71 -9.234 -9.365 -8.480 1.00 0.00 N ATOM 1101 CA LEU A 71 -8.410 -8.365 -7.831 1.00 0.00 C ATOM 1102 C LEU A 71 -7.010 -8.941 -7.602 1.00 0.00 C ATOM 1103 O LEU A 71 -6.510 -9.690 -8.442 1.00 0.00 O ATOM 1104 CB LEU A 71 -9.085 -7.931 -6.517 1.00 0.00 C ATOM 1105 CG LEU A 71 -9.852 -6.601 -6.559 1.00 0.00 C ATOM 1106 CD1 LEU A 71 -8.994 -5.470 -6.014 1.00 0.00 C ATOM 1107 CD2 LEU A 71 -10.334 -6.280 -7.969 1.00 0.00 C ATOM 0 H LEU A 71 -10.011 -9.702 -7.912 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.305 -7.479 -8.458 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.776 -8.716 -6.211 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.319 -7.861 -5.745 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.732 -6.705 -5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.555 -4.536 -6.052 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.720 -5.686 -4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.091 -5.375 -6.617 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.873 -5.332 -7.962 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.477 -6.206 -8.638 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.997 -7.072 -8.316 1.00 0.00 H new ATOM 1119 N ASP A 72 -6.381 -8.619 -6.477 1.00 0.00 N ATOM 1120 CA ASP A 72 -5.047 -9.149 -6.183 1.00 0.00 C ATOM 1121 C ASP A 72 -4.439 -8.494 -4.948 1.00 0.00 C ATOM 1122 O ASP A 72 -5.070 -7.669 -4.287 1.00 0.00 O ATOM 1123 CB ASP A 72 -4.097 -8.995 -7.383 1.00 0.00 C ATOM 1124 CG ASP A 72 -4.316 -7.716 -8.167 1.00 0.00 C ATOM 1125 OD1 ASP A 72 -5.133 -7.730 -9.112 1.00 0.00 O ATOM 1126 OD2 ASP A 72 -3.661 -6.703 -7.843 1.00 0.00 O ATOM 0 H ASP A 72 -6.764 -8.002 -5.760 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.173 -10.212 -5.979 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.067 -9.022 -7.027 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.226 -9.847 -8.050 1.00 0.00 H new ATOM 1131 N PHE A 73 -3.212 -8.896 -4.634 1.00 0.00 N ATOM 1132 CA PHE A 73 -2.501 -8.390 -3.467 1.00 0.00 C ATOM 1133 C PHE A 73 -2.260 -6.882 -3.533 1.00 0.00 C ATOM 1134 O PHE A 73 -2.684 -6.149 -2.641 1.00 0.00 O ATOM 1135 CB PHE A 73 -1.172 -9.122 -3.301 1.00 0.00 C ATOM 1136 CG PHE A 73 -0.219 -8.921 -4.444 1.00 0.00 C ATOM 1137 CD1 PHE A 73 -0.331 -9.675 -5.603 1.00 0.00 C ATOM 1138 CD2 PHE A 73 0.791 -7.975 -4.361 1.00 0.00 C ATOM 1139 CE1 PHE A 73 0.545 -9.490 -6.654 1.00 0.00 C ATOM 1140 CE2 PHE A 73 1.669 -7.785 -5.411 1.00 0.00 C ATOM 1141 CZ PHE A 73 1.546 -8.544 -6.560 1.00 0.00 C ATOM 0 H PHE A 73 -2.685 -9.579 -5.179 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.137 -8.578 -2.602 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.696 -8.785 -2.380 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.368 -10.188 -3.187 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.113 -10.416 -5.684 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.893 -7.380 -3.466 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.447 -10.085 -7.550 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.451 -7.044 -5.334 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.231 -8.397 -7.382 1.00 0.00 H new ATOM 1151 N GLN A 74 -1.576 -6.413 -4.576 1.00 0.00 N ATOM 1152 CA GLN A 74 -1.300 -4.988 -4.697 1.00 0.00 C ATOM 1153 C GLN A 74 -2.549 -4.236 -5.112 1.00 0.00 C ATOM 1154 O GLN A 74 -2.686 -3.054 -4.822 1.00 0.00 O ATOM 1155 CB GLN A 74 -0.169 -4.705 -5.690 1.00 0.00 C ATOM 1156 CG GLN A 74 0.150 -3.217 -5.836 1.00 0.00 C ATOM 1157 CD GLN A 74 0.294 -2.505 -4.498 1.00 0.00 C ATOM 1158 OE1 GLN A 74 -0.137 -1.242 -4.437 1.00 0.00 O flip ATOM 1159 NE2 GLN A 74 0.788 -3.082 -3.529 1.00 0.00 N flip ATOM 0 H GLN A 74 -1.210 -6.989 -5.334 1.00 0.00 H new ATOM 0 HA GLN A 74 -0.978 -4.640 -3.715 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.729 -5.232 -5.367 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.442 -5.108 -6.665 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.074 -3.103 -6.403 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.640 -2.737 -6.414 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.105 -4.047 -3.617 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.880 -2.595 -2.638 1.00 0.00 H new ATOM 1168 N GLU A 75 -3.471 -4.926 -5.782 1.00 0.00 N ATOM 1169 CA GLU A 75 -4.716 -4.298 -6.212 1.00 0.00 C ATOM 1170 C GLU A 75 -5.287 -3.471 -5.075 1.00 0.00 C ATOM 1171 O GLU A 75 -5.832 -2.391 -5.287 1.00 0.00 O ATOM 1172 CB GLU A 75 -5.741 -5.352 -6.638 1.00 0.00 C ATOM 1173 CG GLU A 75 -6.186 -5.234 -8.088 1.00 0.00 C ATOM 1174 CD GLU A 75 -6.560 -3.820 -8.484 1.00 0.00 C ATOM 1175 OE1 GLU A 75 -5.649 -3.036 -8.822 1.00 0.00 O ATOM 1176 OE2 GLU A 75 -7.767 -3.497 -8.459 1.00 0.00 O ATOM 0 H GLU A 75 -3.380 -5.910 -6.036 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.501 -3.657 -7.067 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.315 -6.343 -6.479 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.616 -5.274 -5.993 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.384 -5.586 -8.737 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.041 -5.889 -8.253 1.00 0.00 H new ATOM 1183 N PHE A 76 -5.143 -3.992 -3.862 1.00 0.00 N ATOM 1184 CA PHE A 76 -5.630 -3.312 -2.676 1.00 0.00 C ATOM 1185 C PHE A 76 -4.662 -2.227 -2.240 1.00 0.00 C ATOM 1186 O PHE A 76 -5.047 -1.070 -2.098 1.00 0.00 O ATOM 1187 CB PHE A 76 -5.845 -4.312 -1.543 1.00 0.00 C ATOM 1188 CG PHE A 76 -6.812 -3.827 -0.498 1.00 0.00 C ATOM 1189 CD1 PHE A 76 -6.616 -2.613 0.143 1.00 0.00 C ATOM 1190 CD2 PHE A 76 -7.923 -4.583 -0.165 1.00 0.00 C ATOM 1191 CE1 PHE A 76 -7.513 -2.162 1.094 1.00 0.00 C ATOM 1192 CE2 PHE A 76 -8.822 -4.139 0.787 1.00 0.00 C ATOM 1193 CZ PHE A 76 -8.616 -2.926 1.417 1.00 0.00 C ATOM 0 H PHE A 76 -4.690 -4.887 -3.678 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.584 -2.843 -2.919 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.212 -5.250 -1.960 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.887 -4.526 -1.070 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.753 -2.013 -0.103 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.089 -5.531 -0.655 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -7.351 -1.213 1.583 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.684 -4.739 1.038 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.317 -2.577 2.161 1.00 0.00 H new ATOM 1203 N LEU A 77 -3.403 -2.593 -2.039 1.00 0.00 N ATOM 1204 CA LEU A 77 -2.402 -1.619 -1.634 1.00 0.00 C ATOM 1205 C LEU A 77 -2.396 -0.452 -2.617 1.00 0.00 C ATOM 1206 O LEU A 77 -2.195 0.697 -2.234 1.00 0.00 O ATOM 1207 CB LEU A 77 -1.023 -2.276 -1.535 1.00 0.00 C ATOM 1208 CG LEU A 77 -0.665 -2.775 -0.134 1.00 0.00 C ATOM 1209 CD1 LEU A 77 0.479 -3.777 -0.182 1.00 0.00 C ATOM 1210 CD2 LEU A 77 -0.315 -1.602 0.762 1.00 0.00 C ATOM 0 H LEU A 77 -3.055 -3.545 -2.148 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.651 -1.234 -0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.982 -3.116 -2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.268 -1.559 -1.857 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.534 -3.287 0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.711 -4.113 0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.188 -4.633 -0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.359 -3.304 -0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.062 -1.967 1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.537 -1.067 0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.169 -0.928 0.829 1.00 0.00 H new ATOM 1222 N ASN A 78 -2.662 -0.762 -3.883 1.00 0.00 N ATOM 1223 CA ASN A 78 -2.737 0.251 -4.928 1.00 0.00 C ATOM 1224 C ASN A 78 -4.066 0.990 -4.817 1.00 0.00 C ATOM 1225 O ASN A 78 -4.109 2.219 -4.795 1.00 0.00 O ATOM 1226 CB ASN A 78 -2.584 -0.390 -6.319 1.00 0.00 C ATOM 1227 CG ASN A 78 -3.516 0.201 -7.362 1.00 0.00 C ATOM 1228 OD1 ASN A 78 -4.372 -0.639 -7.930 1.00 0.00 O flip ATOM 1229 ND2 ASN A 78 -3.466 1.397 -7.652 1.00 0.00 N flip ATOM 0 H ASN A 78 -2.830 -1.713 -4.210 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.920 0.961 -4.799 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.554 -0.271 -6.654 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.772 -1.461 -6.240 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -2.791 2.006 -7.189 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -4.099 1.778 -8.355 1.00 0.00 H new ATOM 1236 N LEU A 79 -5.153 0.219 -4.736 1.00 0.00 N ATOM 1237 CA LEU A 79 -6.486 0.795 -4.616 1.00 0.00 C ATOM 1238 C LEU A 79 -6.562 1.680 -3.379 1.00 0.00 C ATOM 1239 O LEU A 79 -6.863 2.868 -3.471 1.00 0.00 O ATOM 1240 CB LEU A 79 -7.547 -0.313 -4.521 1.00 0.00 C ATOM 1241 CG LEU A 79 -8.272 -0.663 -5.829 1.00 0.00 C ATOM 1242 CD1 LEU A 79 -7.293 -0.878 -6.966 1.00 0.00 C ATOM 1243 CD2 LEU A 79 -9.135 -1.901 -5.649 1.00 0.00 C ATOM 0 H LEU A 79 -5.132 -0.801 -4.752 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.682 1.395 -5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.068 -1.216 -4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.292 -0.013 -3.784 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.911 0.183 -6.084 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.840 -1.124 -7.876 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.715 0.032 -7.125 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.619 -1.697 -6.716 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.640 -2.132 -6.587 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.507 -2.743 -5.358 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.878 -1.717 -4.873 1.00 0.00 H new ATOM 1255 N ILE A 80 -6.270 1.087 -2.224 1.00 0.00 N ATOM 1256 CA ILE A 80 -6.294 1.808 -0.962 1.00 0.00 C ATOM 1257 C ILE A 80 -5.129 2.790 -0.870 1.00 0.00 C ATOM 1258 O ILE A 80 -5.319 3.951 -0.506 1.00 0.00 O ATOM 1259 CB ILE A 80 -6.290 0.849 0.250 1.00 0.00 C ATOM 1260 CG1 ILE A 80 -6.963 1.520 1.441 1.00 0.00 C ATOM 1261 CG2 ILE A 80 -4.882 0.425 0.623 1.00 0.00 C ATOM 1262 CD1 ILE A 80 -6.040 2.451 2.194 1.00 0.00 C ATOM 0 H ILE A 80 -6.013 0.103 -2.140 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.226 2.372 -0.934 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.845 -0.047 -0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.830 2.081 1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.332 0.753 2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.920 -0.249 1.479 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.420 -0.087 -0.221 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.293 1.305 0.880 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.577 2.898 3.030 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.185 1.890 2.570 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.691 3.238 1.525 1.00 0.00 H new ATOM 1274 N GLY A 81 -3.928 2.333 -1.226 1.00 0.00 N ATOM 1275 CA GLY A 81 -2.774 3.212 -1.194 1.00 0.00 C ATOM 1276 C GLY A 81 -3.049 4.474 -1.976 1.00 0.00 C ATOM 1277 O GLY A 81 -2.861 5.582 -1.475 1.00 0.00 O ATOM 0 H GLY A 81 -3.737 1.379 -1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.529 3.463 -0.162 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.907 2.700 -1.612 1.00 0.00 H new ATOM 1281 N GLY A 82 -3.533 4.300 -3.204 1.00 0.00 N ATOM 1282 CA GLY A 82 -3.869 5.447 -4.031 1.00 0.00 C ATOM 1283 C GLY A 82 -4.778 6.420 -3.299 1.00 0.00 C ATOM 1284 O GLY A 82 -4.661 7.633 -3.466 1.00 0.00 O ATOM 0 H GLY A 82 -3.698 3.392 -3.639 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.955 5.959 -4.332 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.359 5.107 -4.943 1.00 0.00 H new ATOM 1288 N LEU A 83 -5.676 5.890 -2.465 1.00 0.00 N ATOM 1289 CA LEU A 83 -6.579 6.737 -1.690 1.00 0.00 C ATOM 1290 C LEU A 83 -5.779 7.632 -0.757 1.00 0.00 C ATOM 1291 O LEU A 83 -6.031 8.833 -0.661 1.00 0.00 O ATOM 1292 CB LEU A 83 -7.548 5.894 -0.863 1.00 0.00 C ATOM 1293 CG LEU A 83 -8.123 4.680 -1.578 1.00 0.00 C ATOM 1294 CD1 LEU A 83 -9.111 3.956 -0.680 1.00 0.00 C ATOM 1295 CD2 LEU A 83 -8.779 5.096 -2.885 1.00 0.00 C ATOM 0 H LEU A 83 -5.795 4.889 -2.311 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.151 7.346 -2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.034 5.556 0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.372 6.529 -0.539 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.309 3.993 -1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.514 3.090 -1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.604 3.627 0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.925 4.631 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.185 4.216 -3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.584 5.801 -2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.038 5.569 -3.529 1.00 0.00 H new ATOM 1307 N ALA A 84 -4.808 7.034 -0.073 1.00 0.00 N ATOM 1308 CA ALA A 84 -3.960 7.771 0.854 1.00 0.00 C ATOM 1309 C ALA A 84 -3.297 8.950 0.161 1.00 0.00 C ATOM 1310 O ALA A 84 -3.033 9.980 0.775 1.00 0.00 O ATOM 1311 CB ALA A 84 -2.890 6.858 1.423 1.00 0.00 C ATOM 0 H ALA A 84 -4.590 6.040 -0.144 1.00 0.00 H new ATOM 0 HA ALA A 84 -4.590 8.145 1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.262 7.420 2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.362 6.030 1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.276 6.467 0.612 1.00 0.00 H new ATOM 1317 N VAL A 85 -3.024 8.778 -1.120 1.00 0.00 N ATOM 1318 CA VAL A 85 -2.381 9.821 -1.908 1.00 0.00 C ATOM 1319 C VAL A 85 -3.392 10.811 -2.458 1.00 0.00 C ATOM 1320 O VAL A 85 -3.036 11.913 -2.872 1.00 0.00 O ATOM 1321 CB VAL A 85 -1.529 9.252 -3.068 1.00 0.00 C ATOM 1322 CG1 VAL A 85 -0.096 9.708 -2.910 1.00 0.00 C ATOM 1323 CG2 VAL A 85 -1.585 7.730 -3.133 1.00 0.00 C ATOM 0 H VAL A 85 -3.237 7.926 -1.639 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.712 10.340 -1.222 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.944 9.631 -4.002 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.505 9.308 -3.726 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.056 10.797 -2.930 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.298 9.348 -1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.972 7.378 -3.963 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.207 7.312 -2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.616 7.410 -3.283 1.00 0.00 H new ATOM 1333 N ALA A 86 -4.651 10.411 -2.464 1.00 0.00 N ATOM 1334 CA ALA A 86 -5.713 11.258 -2.965 1.00 0.00 C ATOM 1335 C ALA A 86 -6.679 11.652 -1.854 1.00 0.00 C ATOM 1336 O ALA A 86 -7.768 12.161 -2.118 1.00 0.00 O ATOM 1337 CB ALA A 86 -6.438 10.527 -4.071 1.00 0.00 C ATOM 0 H ALA A 86 -4.962 9.500 -2.125 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.281 12.179 -3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.241 11.155 -4.457 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.739 10.297 -4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.858 9.600 -3.680 1.00 0.00 H new ATOM 1343 N CYS A 87 -6.278 11.410 -0.609 1.00 0.00 N ATOM 1344 CA CYS A 87 -7.118 11.736 0.535 1.00 0.00 C ATOM 1345 C CYS A 87 -6.293 11.891 1.812 1.00 0.00 C ATOM 1346 O CYS A 87 -6.567 12.770 2.630 1.00 0.00 O ATOM 1347 CB CYS A 87 -8.178 10.652 0.732 1.00 0.00 C ATOM 1348 SG CYS A 87 -9.816 11.289 1.152 1.00 0.00 S ATOM 0 H CYS A 87 -5.380 10.991 -0.369 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.604 12.690 0.330 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -8.253 10.062 -0.181 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.849 9.977 1.522 1.00 0.00 H new ATOM 0 HG CYS A 87 -10.432 10.434 1.914 1.00 0.00 H new ATOM 1354 N HIS A 88 -5.295 11.029 1.990 1.00 0.00 N ATOM 1355 CA HIS A 88 -4.457 11.079 3.185 1.00 0.00 C ATOM 1356 C HIS A 88 -3.060 11.619 2.875 1.00 0.00 C ATOM 1357 O HIS A 88 -2.070 10.894 2.973 1.00 0.00 O ATOM 1358 CB HIS A 88 -4.353 9.687 3.810 1.00 0.00 C ATOM 1359 CG HIS A 88 -4.261 9.706 5.304 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -3.657 10.725 6.010 1.00 0.00 N ATOM 1361 CD2 HIS A 88 -4.705 8.822 6.230 1.00 0.00 C ATOM 1362 CE1 HIS A 88 -3.731 10.467 7.304 1.00 0.00 C ATOM 1363 NE2 HIS A 88 -4.363 9.319 7.464 1.00 0.00 N ATOM 0 H HIS A 88 -5.048 10.293 1.328 1.00 0.00 H new ATOM 0 HA HIS A 88 -4.928 11.762 3.892 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -5.223 9.100 3.515 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -3.476 9.181 3.407 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -3.221 11.550 5.598 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -5.230 7.899 6.034 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -3.341 11.089 8.096 1.00 0.00 H new ATOM 1372 N GLU A 89 -2.987 12.896 2.513 1.00 0.00 N ATOM 1373 CA GLU A 89 -1.709 13.532 2.205 1.00 0.00 C ATOM 1374 C GLU A 89 -0.958 12.771 1.112 1.00 0.00 C ATOM 1375 O GLU A 89 -1.520 11.894 0.457 1.00 0.00 O ATOM 1376 CB GLU A 89 -0.852 13.614 3.473 1.00 0.00 C ATOM 1377 CG GLU A 89 -0.893 14.976 4.147 1.00 0.00 C ATOM 1378 CD GLU A 89 -1.661 14.957 5.455 1.00 0.00 C ATOM 1379 OE1 GLU A 89 -2.678 14.236 5.536 1.00 0.00 O ATOM 1380 OE2 GLU A 89 -1.246 15.663 6.397 1.00 0.00 O ATOM 0 H GLU A 89 -3.796 13.511 2.426 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.909 14.538 1.835 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.191 12.857 4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.181 13.374 3.220 1.00 0.00 H new ATOM 0 HG2 GLU A 89 0.126 15.316 4.333 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.351 15.698 3.471 1.00 0.00 H new ATOM 1387 N SER A 90 0.317 13.116 0.923 1.00 0.00 N ATOM 1388 CA SER A 90 1.160 12.473 -0.085 1.00 0.00 C ATOM 1389 C SER A 90 0.831 12.967 -1.494 1.00 0.00 C ATOM 1390 O SER A 90 1.376 12.465 -2.476 1.00 0.00 O ATOM 1391 CB SER A 90 1.018 10.947 -0.023 1.00 0.00 C ATOM 1392 OG SER A 90 1.126 10.476 1.309 1.00 0.00 O ATOM 0 H SER A 90 0.791 13.843 1.460 1.00 0.00 H new ATOM 0 HA SER A 90 2.192 12.744 0.139 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.055 10.652 -0.439 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.787 10.482 -0.639 1.00 0.00 H new ATOM 0 HG SER A 90 0.233 10.413 1.707 1.00 0.00 H new ATOM 1398 N PHE A 91 -0.057 13.957 -1.590 1.00 0.00 N ATOM 1399 CA PHE A 91 -0.446 14.517 -2.882 1.00 0.00 C ATOM 1400 C PHE A 91 -1.636 15.458 -2.726 1.00 0.00 C ATOM 1401 O PHE A 91 -1.601 16.601 -3.182 1.00 0.00 O ATOM 1402 CB PHE A 91 -0.788 13.400 -3.876 1.00 0.00 C ATOM 1403 CG PHE A 91 0.109 13.378 -5.081 1.00 0.00 C ATOM 1404 CD1 PHE A 91 0.065 14.402 -6.014 1.00 0.00 C ATOM 1405 CD2 PHE A 91 0.998 12.333 -5.279 1.00 0.00 C ATOM 1406 CE1 PHE A 91 0.889 14.383 -7.122 1.00 0.00 C ATOM 1407 CE2 PHE A 91 1.825 12.310 -6.386 1.00 0.00 C ATOM 1408 CZ PHE A 91 1.770 13.337 -7.309 1.00 0.00 C ATOM 0 H PHE A 91 -0.519 14.386 -0.789 1.00 0.00 H new ATOM 0 HA PHE A 91 0.400 15.084 -3.271 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -0.724 12.438 -3.367 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -1.821 13.519 -4.203 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -0.621 15.224 -5.873 1.00 0.00 H new ATOM 0 HD2 PHE A 91 1.045 11.528 -4.560 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.844 15.187 -7.842 1.00 0.00 H new ATOM 0 HE2 PHE A 91 2.513 11.490 -6.530 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.415 13.321 -8.175 1.00 0.00 H new ATOM 1418 N VAL A 92 -2.689 14.968 -2.081 1.00 0.00 N ATOM 1419 CA VAL A 92 -3.891 15.765 -1.864 1.00 0.00 C ATOM 1420 C VAL A 92 -3.577 17.031 -1.074 1.00 0.00 C ATOM 1421 O VAL A 92 -4.262 18.045 -1.205 1.00 0.00 O ATOM 1422 CB VAL A 92 -4.972 14.954 -1.121 1.00 0.00 C ATOM 1423 CG1 VAL A 92 -4.474 14.527 0.252 1.00 0.00 C ATOM 1424 CG2 VAL A 92 -6.263 15.756 -1.005 1.00 0.00 C ATOM 0 H VAL A 92 -2.735 14.023 -1.699 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.271 16.045 -2.847 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.183 14.055 -1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.251 13.956 0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.584 13.908 0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.229 15.411 0.841 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.012 15.165 -0.478 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.071 16.676 -0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.630 16.001 -2.002 1.00 0.00 H new ATOM 1434 N LYS A 93 -2.534 16.965 -0.254 1.00 0.00 N ATOM 1435 CA LYS A 93 -2.126 18.105 0.559 1.00 0.00 C ATOM 1436 C LYS A 93 -1.753 19.294 -0.320 1.00 0.00 C ATOM 1437 O LYS A 93 -2.430 20.322 -0.313 1.00 0.00 O ATOM 1438 CB LYS A 93 -0.944 17.725 1.452 1.00 0.00 C ATOM 1439 CG LYS A 93 -0.763 18.647 2.645 1.00 0.00 C ATOM 1440 CD LYS A 93 0.419 18.224 3.502 1.00 0.00 C ATOM 1441 CE LYS A 93 1.741 18.480 2.794 1.00 0.00 C ATOM 1442 NZ LYS A 93 2.710 17.370 3.008 1.00 0.00 N ATOM 0 H LYS A 93 -1.955 16.134 -0.135 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.969 18.391 1.188 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.083 16.705 1.810 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.032 17.733 0.856 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.614 19.669 2.297 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.671 18.645 3.249 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.399 18.769 4.446 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.334 17.165 3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.562 18.605 1.726 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.172 19.413 3.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.598 17.583 2.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.900 17.267 4.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.310 16.484 2.639 1.00 0.00 H new ATOM 1456 N ALA A 94 -0.669 19.147 -1.076 1.00 0.00 N ATOM 1457 CA ALA A 94 -0.205 20.209 -1.961 1.00 0.00 C ATOM 1458 C ALA A 94 -1.192 20.444 -3.100 1.00 0.00 C ATOM 1459 O ALA A 94 -1.756 21.530 -3.231 1.00 0.00 O ATOM 1460 CB ALA A 94 1.172 19.870 -2.513 1.00 0.00 C ATOM 0 H ALA A 94 -0.096 18.303 -1.093 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.135 21.129 -1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.507 20.671 -3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.877 19.759 -1.689 1.00 0.00 H new ATOM 0 HB3 ALA A 94 1.120 18.937 -3.074 1.00 0.00 H new ATOM 1466 N ALA A 95 -1.395 19.418 -3.920 1.00 0.00 N ATOM 1467 CA ALA A 95 -2.313 19.509 -5.048 1.00 0.00 C ATOM 1468 C ALA A 95 -1.976 20.693 -5.956 1.00 0.00 C ATOM 1469 O ALA A 95 -2.850 21.495 -6.286 1.00 0.00 O ATOM 1470 CB ALA A 95 -3.745 19.620 -4.547 1.00 0.00 C ATOM 0 H ALA A 95 -0.935 18.513 -3.824 1.00 0.00 H new ATOM 0 HA ALA A 95 -2.207 18.599 -5.639 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.424 19.688 -5.397 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.992 18.739 -3.954 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.846 20.513 -3.930 1.00 0.00 H new ATOM 1476 N PRO A 96 -0.705 20.822 -6.388 1.00 0.00 N ATOM 1477 CA PRO A 96 -0.292 21.918 -7.269 1.00 0.00 C ATOM 1478 C PRO A 96 -1.103 21.932 -8.563 1.00 0.00 C ATOM 1479 O PRO A 96 -1.648 22.967 -8.948 1.00 0.00 O ATOM 1480 CB PRO A 96 1.187 21.626 -7.547 1.00 0.00 C ATOM 1481 CG PRO A 96 1.619 20.757 -6.419 1.00 0.00 C ATOM 1482 CD PRO A 96 0.421 19.924 -6.073 1.00 0.00 C ATOM 0 HA PRO A 96 -0.452 22.897 -6.818 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.318 21.125 -8.506 1.00 0.00 H new ATOM 0 HB3 PRO A 96 1.772 22.545 -7.585 1.00 0.00 H new ATOM 0 HG2 PRO A 96 2.463 20.130 -6.707 1.00 0.00 H new ATOM 0 HG3 PRO A 96 1.942 21.353 -5.566 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.383 19.007 -6.661 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.422 19.630 -5.023 1.00 0.00 H new ATOM 1490 N PRO A 97 -1.213 20.776 -9.248 1.00 0.00 N ATOM 1491 CA PRO A 97 -1.979 20.668 -10.482 1.00 0.00 C ATOM 1492 C PRO A 97 -3.448 20.353 -10.209 1.00 0.00 C ATOM 1493 O PRO A 97 -4.342 21.044 -10.698 1.00 0.00 O ATOM 1494 CB PRO A 97 -1.297 19.507 -11.200 1.00 0.00 C ATOM 1495 CG PRO A 97 -0.770 18.626 -10.112 1.00 0.00 C ATOM 1496 CD PRO A 97 -0.621 19.479 -8.871 1.00 0.00 C ATOM 0 HA PRO A 97 -1.990 21.593 -11.058 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -2.001 18.969 -11.835 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.492 19.861 -11.844 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.451 17.795 -9.927 1.00 0.00 H new ATOM 0 HG3 PRO A 97 0.189 18.194 -10.398 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -1.139 19.037 -8.020 1.00 0.00 H new ATOM 0 HD3 PRO A 97 0.425 19.587 -8.586 1.00 0.00 H new ATOM 1504 N GLN A 98 -3.685 19.310 -9.410 1.00 0.00 N ATOM 1505 CA GLN A 98 -5.037 18.891 -9.045 1.00 0.00 C ATOM 1506 C GLN A 98 -5.999 18.983 -10.228 1.00 0.00 C ATOM 1507 O GLN A 98 -6.603 20.027 -10.473 1.00 0.00 O ATOM 1508 CB GLN A 98 -5.547 19.739 -7.878 1.00 0.00 C ATOM 1509 CG GLN A 98 -5.374 21.235 -8.086 1.00 0.00 C ATOM 1510 CD GLN A 98 -6.061 22.056 -7.013 1.00 0.00 C ATOM 1511 OE1 GLN A 98 -5.421 22.838 -6.310 1.00 0.00 O ATOM 1512 NE2 GLN A 98 -7.371 21.883 -6.883 1.00 0.00 N ATOM 0 H GLN A 98 -2.948 18.736 -9.000 1.00 0.00 H new ATOM 0 HA GLN A 98 -4.993 17.845 -8.742 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -6.604 19.523 -7.719 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -5.021 19.445 -6.970 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -4.311 21.476 -8.098 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -5.774 21.511 -9.062 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -7.861 21.224 -7.488 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -7.887 22.409 -6.178 1.00 0.00 H new ATOM 1521 N LYS A 99 -6.137 17.880 -10.956 1.00 0.00 N ATOM 1522 CA LYS A 99 -7.024 17.832 -12.112 1.00 0.00 C ATOM 1523 C LYS A 99 -8.266 16.999 -11.806 1.00 0.00 C ATOM 1524 O LYS A 99 -8.176 15.796 -11.568 1.00 0.00 O ATOM 1525 CB LYS A 99 -6.289 17.250 -13.322 1.00 0.00 C ATOM 1526 CG LYS A 99 -5.732 18.309 -14.261 1.00 0.00 C ATOM 1527 CD LYS A 99 -6.114 18.033 -15.707 1.00 0.00 C ATOM 1528 CE LYS A 99 -5.095 17.135 -16.390 1.00 0.00 C ATOM 1529 NZ LYS A 99 -5.314 15.697 -16.066 1.00 0.00 N ATOM 0 H LYS A 99 -5.645 17.007 -10.766 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.337 18.850 -12.343 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.471 16.620 -12.972 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.972 16.607 -13.877 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.105 19.290 -13.966 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.646 18.341 -14.171 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.097 17.562 -15.742 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.193 18.975 -16.250 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.152 17.277 -17.469 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.091 17.427 -16.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.665 15.111 -16.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.134 15.538 -15.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.296 15.437 -16.288 1.00 0.00 H new ATOM 1543 N ARG A 100 -9.425 17.651 -11.815 1.00 0.00 N ATOM 1544 CA ARG A 100 -10.685 16.970 -11.539 1.00 0.00 C ATOM 1545 C ARG A 100 -11.342 16.497 -12.831 1.00 0.00 C ATOM 1546 O ARG A 100 -11.515 15.298 -13.049 1.00 0.00 O ATOM 1547 CB ARG A 100 -11.638 17.897 -10.780 1.00 0.00 C ATOM 1548 CG ARG A 100 -10.953 18.742 -9.716 1.00 0.00 C ATOM 1549 CD ARG A 100 -11.654 18.625 -8.371 1.00 0.00 C ATOM 1550 NE ARG A 100 -11.326 19.741 -7.486 1.00 0.00 N ATOM 1551 CZ ARG A 100 -12.047 20.077 -6.419 1.00 0.00 C ATOM 1552 NH1 ARG A 100 -13.135 19.387 -6.100 1.00 0.00 N ATOM 1553 NH2 ARG A 100 -11.680 21.106 -5.669 1.00 0.00 N ATOM 0 H ARG A 100 -9.517 18.648 -12.010 1.00 0.00 H new ATOM 0 HA ARG A 100 -10.468 16.099 -10.921 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -12.133 18.557 -11.493 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -12.416 17.296 -10.309 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.914 18.428 -9.614 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -10.941 19.785 -10.031 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -12.732 18.589 -8.526 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -11.369 17.687 -7.894 1.00 0.00 H new ATOM 0 HE ARG A 100 -10.496 20.295 -7.699 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -13.423 18.594 -6.674 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -13.683 19.649 -5.281 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -10.845 21.640 -5.910 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -12.232 21.364 -4.851 1.00 0.00 H new ATOM 1566 N PHE A 101 -11.707 17.448 -13.685 1.00 0.00 N ATOM 1567 CA PHE A 101 -12.346 17.130 -14.956 1.00 0.00 C ATOM 1568 C PHE A 101 -11.612 17.796 -16.117 1.00 0.00 C ATOM 1569 O PHE A 101 -11.848 17.392 -17.274 1.00 0.00 O ATOM 1570 CB PHE A 101 -13.812 17.573 -14.936 1.00 0.00 C ATOM 1571 CG PHE A 101 -14.781 16.454 -15.186 1.00 0.00 C ATOM 1572 CD1 PHE A 101 -14.629 15.233 -14.546 1.00 0.00 C ATOM 1573 CD2 PHE A 101 -15.844 16.620 -16.059 1.00 0.00 C ATOM 1574 CE1 PHE A 101 -15.519 14.201 -14.774 1.00 0.00 C ATOM 1575 CE2 PHE A 101 -16.736 15.592 -16.291 1.00 0.00 C ATOM 1576 CZ PHE A 101 -16.574 14.380 -15.648 1.00 0.00 C ATOM 1577 OXT PHE A 101 -10.809 18.717 -15.857 1.00 0.00 O ATOM 0 H PHE A 101 -11.571 18.445 -13.519 1.00 0.00 H new ATOM 0 HA PHE A 101 -12.303 16.050 -15.098 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -14.033 18.025 -13.969 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -13.960 18.346 -15.690 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -13.806 15.087 -13.862 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -15.977 17.565 -16.564 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -15.390 13.255 -14.269 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -17.560 15.735 -16.975 1.00 0.00 H new ATOM 0 HZ PHE A 101 -17.270 13.574 -15.828 1.00 0.00 H new TER 1587 PHE A 101 ATOM 1588 N SER B 1 -12.031 3.275 18.283 1.00 0.00 N ATOM 1589 CA SER B 1 -13.118 4.071 18.911 1.00 0.00 C ATOM 1590 C SER B 1 -13.699 5.083 17.929 1.00 0.00 C ATOM 1591 O SER B 1 -14.781 4.879 17.380 1.00 0.00 O ATOM 1592 CB SER B 1 -12.550 4.788 20.138 1.00 0.00 C ATOM 1593 OG SER B 1 -11.368 5.496 19.812 1.00 0.00 O ATOM 0 H1 SER B 1 -12.011 2.323 18.702 1.00 0.00 H new ATOM 0 H2 SER B 1 -12.203 3.199 17.260 1.00 0.00 H new ATOM 0 H3 SER B 1 -11.118 3.745 18.447 1.00 0.00 H new ATOM 0 HA SER B 1 -13.926 3.403 19.208 1.00 0.00 H new ATOM 0 HB2 SER B 1 -13.293 5.479 20.536 1.00 0.00 H new ATOM 0 HB3 SER B 1 -12.338 4.061 20.922 1.00 0.00 H new ATOM 0 HG SER B 1 -11.026 5.947 20.612 1.00 0.00 H new ATOM 1601 N ARG B 2 -12.973 6.177 17.714 1.00 0.00 N ATOM 1602 CA ARG B 2 -13.419 7.222 16.798 1.00 0.00 C ATOM 1603 C ARG B 2 -12.918 6.956 15.379 1.00 0.00 C ATOM 1604 O ARG B 2 -13.700 6.962 14.428 1.00 0.00 O ATOM 1605 CB ARG B 2 -12.936 8.593 17.280 1.00 0.00 C ATOM 1606 CG ARG B 2 -14.065 9.546 17.634 1.00 0.00 C ATOM 1607 CD ARG B 2 -13.532 10.887 18.115 1.00 0.00 C ATOM 1608 NE ARG B 2 -13.616 11.913 17.078 1.00 0.00 N ATOM 1609 CZ ARG B 2 -13.540 13.219 17.320 1.00 0.00 C ATOM 1610 NH1 ARG B 2 -13.377 13.664 18.561 1.00 0.00 N ATOM 1611 NH2 ARG B 2 -13.627 14.084 16.320 1.00 0.00 N ATOM 0 H ARG B 2 -12.075 6.362 18.161 1.00 0.00 H new ATOM 0 HA ARG B 2 -14.509 7.216 16.782 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -12.299 8.458 18.154 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -12.320 9.046 16.503 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -14.701 9.698 16.762 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -14.688 9.101 18.410 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -14.097 11.209 18.990 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -12.495 10.773 18.429 1.00 0.00 H new ATOM 0 HE ARG B 2 -13.740 11.610 16.112 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -13.309 13.003 19.335 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -13.319 14.667 18.740 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -13.752 13.749 15.365 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -13.569 15.085 16.505 1.00 0.00 H new ATOM 1624 N PRO B 3 -11.604 6.720 15.213 1.00 0.00 N ATOM 1625 CA PRO B 3 -10.998 6.454 13.905 1.00 0.00 C ATOM 1626 C PRO B 3 -11.455 5.110 13.327 1.00 0.00 C ATOM 1627 O PRO B 3 -12.650 4.816 13.305 1.00 0.00 O ATOM 1628 CB PRO B 3 -9.486 6.460 14.218 1.00 0.00 C ATOM 1629 CG PRO B 3 -9.377 7.144 15.532 1.00 0.00 C ATOM 1630 CD PRO B 3 -10.590 6.692 16.273 1.00 0.00 C ATOM 0 HA PRO B 3 -11.281 7.184 13.147 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -9.087 5.447 14.264 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -8.924 6.989 13.448 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -8.462 6.863 16.054 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -9.359 8.228 15.418 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -10.465 5.695 16.696 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -10.840 7.359 17.098 1.00 0.00 H new ATOM 1638 N THR B 4 -10.510 4.295 12.863 1.00 0.00 N ATOM 1639 CA THR B 4 -10.835 2.993 12.293 1.00 0.00 C ATOM 1640 C THR B 4 -9.577 2.191 12.006 1.00 0.00 C ATOM 1641 O THR B 4 -8.529 2.743 11.668 1.00 0.00 O ATOM 1642 CB THR B 4 -11.672 3.148 11.016 1.00 0.00 C ATOM 1643 OG1 THR B 4 -11.553 2.002 10.192 1.00 0.00 O ATOM 1644 CG2 THR B 4 -11.295 4.352 10.177 1.00 0.00 C ATOM 0 H THR B 4 -9.514 4.515 12.871 1.00 0.00 H new ATOM 0 HA THR B 4 -11.426 2.448 13.029 1.00 0.00 H new ATOM 0 HB THR B 4 -12.694 3.282 11.369 1.00 0.00 H new ATOM 0 HG1 THR B 4 -12.096 2.122 9.385 1.00 0.00 H new ATOM 0 HG21 THR B 4 -11.931 4.393 9.293 1.00 0.00 H new ATOM 0 HG22 THR B 4 -11.430 5.261 10.763 1.00 0.00 H new ATOM 0 HG23 THR B 4 -10.252 4.270 9.871 1.00 0.00 H new ATOM 1652 N GLU B 5 -9.697 0.880 12.152 1.00 0.00 N ATOM 1653 CA GLU B 5 -8.591 -0.037 11.920 1.00 0.00 C ATOM 1654 C GLU B 5 -7.845 0.316 10.637 1.00 0.00 C ATOM 1655 O GLU B 5 -6.616 0.383 10.619 1.00 0.00 O ATOM 1656 CB GLU B 5 -9.133 -1.459 11.850 1.00 0.00 C ATOM 1657 CG GLU B 5 -8.296 -2.472 12.614 1.00 0.00 C ATOM 1658 CD GLU B 5 -8.738 -2.625 14.056 1.00 0.00 C ATOM 1659 OE1 GLU B 5 -8.459 -1.712 14.862 1.00 0.00 O ATOM 1660 OE2 GLU B 5 -9.363 -3.656 14.380 1.00 0.00 O ATOM 0 H GLU B 5 -10.563 0.422 12.435 1.00 0.00 H new ATOM 0 HA GLU B 5 -7.882 0.044 12.744 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -10.149 -1.470 12.244 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -9.192 -1.764 10.805 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -8.357 -3.439 12.115 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -7.250 -2.166 12.589 1.00 0.00 H new ATOM 1667 N THR B 6 -8.599 0.559 9.571 1.00 0.00 N ATOM 1668 CA THR B 6 -8.011 0.927 8.290 1.00 0.00 C ATOM 1669 C THR B 6 -7.294 2.267 8.414 1.00 0.00 C ATOM 1670 O THR B 6 -6.197 2.450 7.893 1.00 0.00 O ATOM 1671 CB THR B 6 -9.098 1.012 7.215 1.00 0.00 C ATOM 1672 OG1 THR B 6 -10.177 0.148 7.525 1.00 0.00 O ATOM 1673 CG2 THR B 6 -8.605 0.652 5.830 1.00 0.00 C ATOM 0 H THR B 6 -9.618 0.508 9.569 1.00 0.00 H new ATOM 0 HA THR B 6 -7.290 0.163 8.000 1.00 0.00 H new ATOM 0 HB THR B 6 -9.414 2.055 7.208 1.00 0.00 H new ATOM 0 HG1 THR B 6 -11.021 0.643 7.463 1.00 0.00 H new ATOM 0 HG21 THR B 6 -9.427 0.734 5.119 1.00 0.00 H new ATOM 0 HG22 THR B 6 -7.805 1.333 5.540 1.00 0.00 H new ATOM 0 HG23 THR B 6 -8.228 -0.371 5.833 1.00 0.00 H new ATOM 1681 N GLU B 7 -7.921 3.200 9.119 1.00 0.00 N ATOM 1682 CA GLU B 7 -7.347 4.528 9.315 1.00 0.00 C ATOM 1683 C GLU B 7 -5.916 4.432 9.837 1.00 0.00 C ATOM 1684 O GLU B 7 -5.064 5.249 9.492 1.00 0.00 O ATOM 1685 CB GLU B 7 -8.207 5.336 10.293 1.00 0.00 C ATOM 1686 CG GLU B 7 -8.932 6.504 9.643 1.00 0.00 C ATOM 1687 CD GLU B 7 -9.240 7.617 10.624 1.00 0.00 C ATOM 1688 OE1 GLU B 7 -8.303 8.353 11.000 1.00 0.00 O ATOM 1689 OE2 GLU B 7 -10.418 7.755 11.015 1.00 0.00 O ATOM 0 H GLU B 7 -8.828 3.063 9.565 1.00 0.00 H new ATOM 0 HA GLU B 7 -7.328 5.036 8.351 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -8.941 4.673 10.752 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -7.573 5.714 11.095 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -8.322 6.899 8.831 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -9.862 6.148 9.199 1.00 0.00 H new ATOM 1696 N ARG B 8 -5.658 3.425 10.662 1.00 0.00 N ATOM 1697 CA ARG B 8 -4.329 3.221 11.221 1.00 0.00 C ATOM 1698 C ARG B 8 -3.412 2.545 10.204 1.00 0.00 C ATOM 1699 O ARG B 8 -2.215 2.830 10.149 1.00 0.00 O ATOM 1700 CB ARG B 8 -4.411 2.380 12.496 1.00 0.00 C ATOM 1701 CG ARG B 8 -3.605 2.951 13.652 1.00 0.00 C ATOM 1702 CD ARG B 8 -4.485 3.264 14.851 1.00 0.00 C ATOM 1703 NE ARG B 8 -4.664 2.103 15.718 1.00 0.00 N ATOM 1704 CZ ARG B 8 -5.181 2.165 16.943 1.00 0.00 C ATOM 1705 NH1 ARG B 8 -5.572 3.329 17.447 1.00 0.00 N ATOM 1706 NH2 ARG B 8 -5.309 1.060 17.665 1.00 0.00 N ATOM 0 H ARG B 8 -6.351 2.738 10.958 1.00 0.00 H new ATOM 0 HA ARG B 8 -3.910 4.196 11.469 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -5.455 2.294 12.799 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -4.058 1.372 12.280 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -2.833 2.239 13.944 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -3.096 3.859 13.327 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -4.041 4.078 15.423 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -5.459 3.611 14.505 1.00 0.00 H new ATOM 0 HE ARG B 8 -4.376 1.191 15.364 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -5.477 4.181 16.895 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -5.968 3.371 18.386 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -5.011 0.163 17.282 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -5.705 1.107 18.604 1.00 0.00 H new ATOM 1719 N CYS B 9 -3.979 1.647 9.402 1.00 0.00 N ATOM 1720 CA CYS B 9 -3.206 0.929 8.391 1.00 0.00 C ATOM 1721 C CYS B 9 -2.691 1.881 7.316 1.00 0.00 C ATOM 1722 O CYS B 9 -1.554 1.762 6.862 1.00 0.00 O ATOM 1723 CB CYS B 9 -4.048 -0.196 7.767 1.00 0.00 C ATOM 1724 SG CYS B 9 -5.155 0.319 6.433 1.00 0.00 S ATOM 0 H CYS B 9 -4.968 1.399 9.432 1.00 0.00 H new ATOM 0 HA CYS B 9 -2.342 0.480 8.881 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -3.374 -0.962 7.383 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -4.644 -0.661 8.553 1.00 0.00 H new ATOM 0 HG CYS B 9 -5.742 1.432 6.761 1.00 0.00 H new ATOM 1730 N ILE B 10 -3.532 2.827 6.913 1.00 0.00 N ATOM 1731 CA ILE B 10 -3.156 3.792 5.895 1.00 0.00 C ATOM 1732 C ILE B 10 -2.107 4.768 6.414 1.00 0.00 C ATOM 1733 O ILE B 10 -1.042 4.917 5.823 1.00 0.00 O ATOM 1734 CB ILE B 10 -4.379 4.596 5.409 1.00 0.00 C ATOM 1735 CG1 ILE B 10 -5.468 3.661 4.890 1.00 0.00 C ATOM 1736 CG2 ILE B 10 -3.974 5.577 4.322 1.00 0.00 C ATOM 1737 CD1 ILE B 10 -6.744 3.707 5.693 1.00 0.00 C ATOM 0 H ILE B 10 -4.478 2.943 7.277 1.00 0.00 H new ATOM 0 HA ILE B 10 -2.740 3.223 5.064 1.00 0.00 H new ATOM 0 HB ILE B 10 -4.775 5.155 6.257 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -5.692 3.919 3.855 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -5.087 2.640 4.889 1.00 0.00 H new ATOM 0 HG21 ILE B 10 -4.850 6.135 3.991 1.00 0.00 H new ATOM 0 HG22 ILE B 10 -3.230 6.269 4.716 1.00 0.00 H new ATOM 0 HG23 ILE B 10 -3.552 5.031 3.478 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -7.469 3.016 5.263 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -6.536 3.420 6.724 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -7.150 4.718 5.673 1.00 0.00 H new ATOM 1749 N GLU B 11 -2.426 5.444 7.511 1.00 0.00 N ATOM 1750 CA GLU B 11 -1.524 6.431 8.093 1.00 0.00 C ATOM 1751 C GLU B 11 -0.126 5.871 8.321 1.00 0.00 C ATOM 1752 O GLU B 11 0.852 6.619 8.327 1.00 0.00 O ATOM 1753 CB GLU B 11 -2.092 6.962 9.408 1.00 0.00 C ATOM 1754 CG GLU B 11 -2.074 8.478 9.495 1.00 0.00 C ATOM 1755 CD GLU B 11 -1.310 8.987 10.703 1.00 0.00 C ATOM 1756 OE1 GLU B 11 -0.111 8.661 10.826 1.00 0.00 O ATOM 1757 OE2 GLU B 11 -1.912 9.709 11.525 1.00 0.00 O ATOM 0 H GLU B 11 -3.304 5.327 8.016 1.00 0.00 H new ATOM 0 HA GLU B 11 -1.439 7.248 7.376 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -3.117 6.609 9.523 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -1.518 6.549 10.238 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -1.625 8.884 8.589 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -3.099 8.848 9.536 1.00 0.00 H new ATOM 1764 N SER B 12 -0.027 4.565 8.522 1.00 0.00 N ATOM 1765 CA SER B 12 1.267 3.943 8.764 1.00 0.00 C ATOM 1766 C SER B 12 2.100 3.843 7.484 1.00 0.00 C ATOM 1767 O SER B 12 3.227 4.331 7.439 1.00 0.00 O ATOM 1768 CB SER B 12 1.078 2.557 9.379 1.00 0.00 C ATOM 1769 OG SER B 12 0.217 2.612 10.503 1.00 0.00 O ATOM 0 H SER B 12 -0.818 3.921 8.523 1.00 0.00 H new ATOM 0 HA SER B 12 1.812 4.578 9.463 1.00 0.00 H new ATOM 0 HB2 SER B 12 0.665 1.878 8.633 1.00 0.00 H new ATOM 0 HB3 SER B 12 2.045 2.153 9.677 1.00 0.00 H new ATOM 0 HG SER B 12 -0.692 2.365 10.231 1.00 0.00 H new ATOM 1775 N LEU B 13 1.552 3.208 6.449 1.00 0.00 N ATOM 1776 CA LEU B 13 2.266 3.043 5.186 1.00 0.00 C ATOM 1777 C LEU B 13 2.639 4.387 4.556 1.00 0.00 C ATOM 1778 O LEU B 13 3.647 4.505 3.858 1.00 0.00 O ATOM 1779 CB LEU B 13 1.418 2.220 4.224 1.00 0.00 C ATOM 1780 CG LEU B 13 1.693 0.717 4.258 1.00 0.00 C ATOM 1781 CD1 LEU B 13 3.143 0.435 3.914 1.00 0.00 C ATOM 1782 CD2 LEU B 13 1.360 0.126 5.618 1.00 0.00 C ATOM 0 H LEU B 13 0.617 2.800 6.461 1.00 0.00 H new ATOM 0 HA LEU B 13 3.199 2.518 5.393 1.00 0.00 H new ATOM 0 HB2 LEU B 13 0.366 2.389 4.453 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.586 2.584 3.210 1.00 0.00 H new ATOM 0 HG LEU B 13 1.051 0.246 3.514 1.00 0.00 H new ATOM 0 HD11 LEU B 13 3.321 -0.640 3.943 1.00 0.00 H new ATOM 0 HD12 LEU B 13 3.360 0.812 2.915 1.00 0.00 H new ATOM 0 HD13 LEU B 13 3.791 0.930 4.637 1.00 0.00 H new ATOM 0 HD21 LEU B 13 1.566 -0.944 5.610 1.00 0.00 H new ATOM 0 HD22 LEU B 13 1.969 0.607 6.383 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.305 0.290 5.838 1.00 0.00 H new ATOM 1794 N ILE B 14 1.841 5.407 4.808 1.00 0.00 N ATOM 1795 CA ILE B 14 2.119 6.720 4.274 1.00 0.00 C ATOM 1796 C ILE B 14 3.317 7.325 4.957 1.00 0.00 C ATOM 1797 O ILE B 14 4.120 8.016 4.345 1.00 0.00 O ATOM 1798 CB ILE B 14 0.963 7.680 4.531 1.00 0.00 C ATOM 1799 CG1 ILE B 14 -0.368 7.060 4.171 1.00 0.00 C ATOM 1800 CG2 ILE B 14 1.173 8.963 3.776 1.00 0.00 C ATOM 1801 CD1 ILE B 14 -1.487 7.646 4.984 1.00 0.00 C ATOM 0 H ILE B 14 0.997 5.349 5.378 1.00 0.00 H new ATOM 0 HA ILE B 14 2.286 6.588 3.205 1.00 0.00 H new ATOM 0 HB ILE B 14 0.942 7.899 5.599 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -0.568 7.215 3.111 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.324 5.983 4.333 1.00 0.00 H new ATOM 0 HG21 ILE B 14 0.340 9.639 3.969 1.00 0.00 H new ATOM 0 HG22 ILE B 14 2.102 9.430 4.103 1.00 0.00 H new ATOM 0 HG23 ILE B 14 1.229 8.752 2.708 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -2.429 7.177 4.699 1.00 0.00 H new ATOM 0 HD12 ILE B 14 -1.299 7.468 6.043 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -1.546 8.719 4.801 1.00 0.00 H new ATOM 1813 N ALA B 15 3.384 7.086 6.248 1.00 0.00 N ATOM 1814 CA ALA B 15 4.422 7.637 7.084 1.00 0.00 C ATOM 1815 C ALA B 15 5.744 6.911 6.915 1.00 0.00 C ATOM 1816 O ALA B 15 6.806 7.530 6.979 1.00 0.00 O ATOM 1817 CB ALA B 15 3.931 7.628 8.511 1.00 0.00 C ATOM 0 H ALA B 15 2.715 6.500 6.748 1.00 0.00 H new ATOM 0 HA ALA B 15 4.628 8.664 6.782 1.00 0.00 H new ATOM 0 HB1 ALA B 15 4.701 8.041 9.163 1.00 0.00 H new ATOM 0 HB2 ALA B 15 3.027 8.232 8.589 1.00 0.00 H new ATOM 0 HB3 ALA B 15 3.710 6.604 8.813 1.00 0.00 H new ATOM 1823 N VAL B 16 5.688 5.610 6.648 1.00 0.00 N ATOM 1824 CA VAL B 16 6.899 4.851 6.414 1.00 0.00 C ATOM 1825 C VAL B 16 7.706 5.568 5.346 1.00 0.00 C ATOM 1826 O VAL B 16 8.933 5.663 5.417 1.00 0.00 O ATOM 1827 CB VAL B 16 6.575 3.431 5.929 1.00 0.00 C ATOM 1828 CG1 VAL B 16 5.708 2.705 6.930 1.00 0.00 C ATOM 1829 CG2 VAL B 16 5.874 3.487 4.592 1.00 0.00 C ATOM 0 H VAL B 16 4.825 5.070 6.590 1.00 0.00 H new ATOM 0 HA VAL B 16 7.459 4.774 7.346 1.00 0.00 H new ATOM 0 HB VAL B 16 7.513 2.885 5.823 1.00 0.00 H new ATOM 0 HG11 VAL B 16 5.492 1.701 6.564 1.00 0.00 H new ATOM 0 HG12 VAL B 16 6.231 2.639 7.884 1.00 0.00 H new ATOM 0 HG13 VAL B 16 4.774 3.250 7.066 1.00 0.00 H new ATOM 0 HG21 VAL B 16 5.649 2.475 4.257 1.00 0.00 H new ATOM 0 HG22 VAL B 16 4.947 4.052 4.691 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.520 3.975 3.863 1.00 0.00 H new ATOM 1839 N PHE B 17 6.977 6.089 4.361 1.00 0.00 N ATOM 1840 CA PHE B 17 7.587 6.829 3.261 1.00 0.00 C ATOM 1841 C PHE B 17 7.954 8.251 3.698 1.00 0.00 C ATOM 1842 O PHE B 17 9.116 8.644 3.623 1.00 0.00 O ATOM 1843 CB PHE B 17 6.634 6.866 2.061 1.00 0.00 C ATOM 1844 CG PHE B 17 6.977 7.910 1.034 1.00 0.00 C ATOM 1845 CD1 PHE B 17 6.542 9.217 1.187 1.00 0.00 C ATOM 1846 CD2 PHE B 17 7.729 7.585 -0.084 1.00 0.00 C ATOM 1847 CE1 PHE B 17 6.851 10.179 0.246 1.00 0.00 C ATOM 1848 CE2 PHE B 17 8.042 8.544 -1.028 1.00 0.00 C ATOM 1849 CZ PHE B 17 7.601 9.843 -0.863 1.00 0.00 C ATOM 0 H PHE B 17 5.962 6.012 4.303 1.00 0.00 H new ATOM 0 HA PHE B 17 8.504 6.319 2.967 1.00 0.00 H new ATOM 0 HB2 PHE B 17 6.633 5.887 1.582 1.00 0.00 H new ATOM 0 HB3 PHE B 17 5.621 7.045 2.421 1.00 0.00 H new ATOM 0 HD1 PHE B 17 5.954 9.486 2.052 1.00 0.00 H new ATOM 0 HD2 PHE B 17 8.074 6.571 -0.219 1.00 0.00 H new ATOM 0 HE1 PHE B 17 6.506 11.194 0.378 1.00 0.00 H new ATOM 0 HE2 PHE B 17 8.631 8.279 -1.894 1.00 0.00 H new ATOM 0 HZ PHE B 17 7.843 10.594 -1.600 1.00 0.00 H new ATOM 1859 N GLN B 18 6.960 9.020 4.150 1.00 0.00 N ATOM 1860 CA GLN B 18 7.194 10.404 4.583 1.00 0.00 C ATOM 1861 C GLN B 18 8.373 10.503 5.540 1.00 0.00 C ATOM 1862 O GLN B 18 9.061 11.523 5.581 1.00 0.00 O ATOM 1863 CB GLN B 18 5.960 10.989 5.278 1.00 0.00 C ATOM 1864 CG GLN B 18 4.644 10.574 4.655 1.00 0.00 C ATOM 1865 CD GLN B 18 4.107 11.597 3.685 1.00 0.00 C ATOM 1866 OE1 GLN B 18 3.833 12.741 4.049 1.00 0.00 O ATOM 1867 NE2 GLN B 18 3.954 11.181 2.437 1.00 0.00 N ATOM 0 H GLN B 18 5.991 8.712 4.226 1.00 0.00 H new ATOM 0 HA GLN B 18 7.412 10.973 3.679 1.00 0.00 H new ATOM 0 HB2 GLN B 18 5.967 10.683 6.324 1.00 0.00 H new ATOM 0 HB3 GLN B 18 6.030 12.077 5.263 1.00 0.00 H new ATOM 0 HG2 GLN B 18 4.776 9.624 4.137 1.00 0.00 H new ATOM 0 HG3 GLN B 18 3.910 10.408 5.444 1.00 0.00 H new ATOM 0 HE21 GLN B 18 4.196 10.222 2.186 1.00 0.00 H new ATOM 0 HE22 GLN B 18 3.594 11.819 1.727 1.00 0.00 H new ATOM 1876 N LYS B 19 8.603 9.455 6.319 1.00 0.00 N ATOM 1877 CA LYS B 19 9.700 9.465 7.273 1.00 0.00 C ATOM 1878 C LYS B 19 11.036 9.642 6.557 1.00 0.00 C ATOM 1879 O LYS B 19 11.817 10.532 6.893 1.00 0.00 O ATOM 1880 CB LYS B 19 9.708 8.167 8.081 1.00 0.00 C ATOM 1881 CG LYS B 19 10.551 8.237 9.343 1.00 0.00 C ATOM 1882 CD LYS B 19 9.945 9.185 10.369 1.00 0.00 C ATOM 1883 CE LYS B 19 10.913 10.298 10.742 1.00 0.00 C ATOM 1884 NZ LYS B 19 11.692 9.970 11.968 1.00 0.00 N ATOM 0 H LYS B 19 8.051 8.597 6.309 1.00 0.00 H new ATOM 0 HA LYS B 19 9.557 10.306 7.951 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.684 7.913 8.353 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.080 7.360 7.451 1.00 0.00 H new ATOM 0 HG2 LYS B 19 10.642 7.241 9.776 1.00 0.00 H new ATOM 0 HG3 LYS B 19 11.558 8.568 9.091 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.028 9.618 9.969 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.669 8.626 11.264 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.598 10.476 9.913 1.00 0.00 H new ATOM 0 HE3 LYS B 19 10.359 11.223 10.901 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 12.339 10.754 12.188 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 11.040 9.825 12.765 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 12.241 9.101 11.808 1.00 0.00 H new ATOM 1898 N TYR B 20 11.279 8.810 5.550 1.00 0.00 N ATOM 1899 CA TYR B 20 12.502 8.899 4.768 1.00 0.00 C ATOM 1900 C TYR B 20 12.373 9.996 3.725 1.00 0.00 C ATOM 1901 O TYR B 20 13.244 10.852 3.571 1.00 0.00 O ATOM 1902 CB TYR B 20 12.820 7.554 4.112 1.00 0.00 C ATOM 1903 CG TYR B 20 14.050 6.888 4.691 1.00 0.00 C ATOM 1904 CD1 TYR B 20 15.260 7.564 4.756 1.00 0.00 C ATOM 1905 CD2 TYR B 20 13.997 5.587 5.176 1.00 0.00 C ATOM 1906 CE1 TYR B 20 16.386 6.964 5.286 1.00 0.00 C ATOM 1907 CE2 TYR B 20 15.119 4.980 5.708 1.00 0.00 C ATOM 1908 CZ TYR B 20 16.310 5.671 5.761 1.00 0.00 C ATOM 1909 OH TYR B 20 17.429 5.070 6.291 1.00 0.00 O ATOM 0 H TYR B 20 10.644 8.067 5.258 1.00 0.00 H new ATOM 0 HA TYR B 20 13.328 9.150 5.433 1.00 0.00 H new ATOM 0 HB2 TYR B 20 11.965 6.888 4.228 1.00 0.00 H new ATOM 0 HB3 TYR B 20 12.964 7.703 3.042 1.00 0.00 H new ATOM 0 HD1 TYR B 20 15.323 8.577 4.386 1.00 0.00 H new ATOM 0 HD2 TYR B 20 13.065 5.042 5.137 1.00 0.00 H new ATOM 0 HE1 TYR B 20 17.320 7.504 5.328 1.00 0.00 H new ATOM 0 HE2 TYR B 20 15.062 3.968 6.081 1.00 0.00 H new ATOM 0 HH TYR B 20 17.206 4.161 6.581 1.00 0.00 H new ATOM 1919 N ALA B 21 11.260 9.936 3.007 1.00 0.00 N ATOM 1920 CA ALA B 21 10.943 10.880 1.951 1.00 0.00 C ATOM 1921 C ALA B 21 10.929 12.318 2.460 1.00 0.00 C ATOM 1922 O ALA B 21 11.583 13.193 1.894 1.00 0.00 O ATOM 1923 CB ALA B 21 9.598 10.500 1.353 1.00 0.00 C ATOM 0 H ALA B 21 10.545 9.221 3.145 1.00 0.00 H new ATOM 0 HA ALA B 21 11.717 10.832 1.185 1.00 0.00 H new ATOM 0 HB1 ALA B 21 9.343 11.199 0.557 1.00 0.00 H new ATOM 0 HB2 ALA B 21 9.653 9.491 0.945 1.00 0.00 H new ATOM 0 HB3 ALA B 21 8.832 10.537 2.127 1.00 0.00 H new ATOM 1929 N GLY B 22 10.180 12.555 3.529 1.00 0.00 N ATOM 1930 CA GLY B 22 10.096 13.888 4.095 1.00 0.00 C ATOM 1931 C GLY B 22 11.415 14.354 4.679 1.00 0.00 C ATOM 1932 O GLY B 22 12.454 13.733 4.457 1.00 0.00 O ATOM 0 H GLY B 22 9.629 11.848 4.015 1.00 0.00 H new ATOM 0 HA2 GLY B 22 9.777 14.588 3.323 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.333 13.902 4.873 1.00 0.00 H new ATOM 1936 N LYS B 23 11.374 15.452 5.426 1.00 0.00 N ATOM 1937 CA LYS B 23 12.576 16.000 6.044 1.00 0.00 C ATOM 1938 C LYS B 23 13.607 16.382 4.987 1.00 0.00 C ATOM 1939 O LYS B 23 14.274 15.518 4.417 1.00 0.00 O ATOM 1940 CB LYS B 23 13.180 14.989 7.020 1.00 0.00 C ATOM 1941 CG LYS B 23 13.815 15.629 8.245 1.00 0.00 C ATOM 1942 CD LYS B 23 15.327 15.470 8.239 1.00 0.00 C ATOM 1943 CE LYS B 23 15.733 14.006 8.293 1.00 0.00 C ATOM 1944 NZ LYS B 23 16.058 13.570 9.679 1.00 0.00 N ATOM 0 H LYS B 23 10.522 15.980 5.618 1.00 0.00 H new ATOM 0 HA LYS B 23 12.294 16.899 6.591 1.00 0.00 H new ATOM 0 HB2 LYS B 23 12.401 14.299 7.344 1.00 0.00 H new ATOM 0 HB3 LYS B 23 13.932 14.398 6.498 1.00 0.00 H new ATOM 0 HG2 LYS B 23 13.560 16.688 8.276 1.00 0.00 H new ATOM 0 HG3 LYS B 23 13.404 15.176 9.147 1.00 0.00 H new ATOM 0 HD2 LYS B 23 15.739 15.930 7.341 1.00 0.00 H new ATOM 0 HD3 LYS B 23 15.753 15.999 9.092 1.00 0.00 H new ATOM 0 HE2 LYS B 23 14.924 13.390 7.899 1.00 0.00 H new ATOM 0 HE3 LYS B 23 16.598 13.845 7.650 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 16.330 12.566 9.672 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 16.847 14.140 10.046 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 15.225 13.699 10.288 1.00 0.00 H new ATOM 1958 N ASP B 24 13.731 17.680 4.730 1.00 0.00 N ATOM 1959 CA ASP B 24 14.682 18.176 3.741 1.00 0.00 C ATOM 1960 C ASP B 24 14.369 17.619 2.357 1.00 0.00 C ATOM 1961 O ASP B 24 13.739 16.569 2.226 1.00 0.00 O ATOM 1962 CB ASP B 24 16.110 17.802 4.143 1.00 0.00 C ATOM 1963 CG ASP B 24 16.660 18.705 5.230 1.00 0.00 C ATOM 1964 OD1 ASP B 24 16.243 18.551 6.398 1.00 0.00 O ATOM 1965 OD2 ASP B 24 17.507 19.566 4.914 1.00 0.00 O ATOM 0 H ASP B 24 13.185 18.407 5.192 1.00 0.00 H new ATOM 0 HA ASP B 24 14.595 19.262 3.704 1.00 0.00 H new ATOM 0 HB2 ASP B 24 16.128 16.769 4.489 1.00 0.00 H new ATOM 0 HB3 ASP B 24 16.757 17.856 3.267 1.00 0.00 H new ATOM 1970 N GLY B 25 14.813 18.328 1.324 1.00 0.00 N ATOM 1971 CA GLY B 25 14.572 17.888 -0.037 1.00 0.00 C ATOM 1972 C GLY B 25 13.290 18.458 -0.611 1.00 0.00 C ATOM 1973 O GLY B 25 12.374 18.815 0.129 1.00 0.00 O ATOM 0 H GLY B 25 15.336 19.200 1.406 1.00 0.00 H new ATOM 0 HA2 GLY B 25 15.412 18.185 -0.666 1.00 0.00 H new ATOM 0 HA3 GLY B 25 14.525 16.799 -0.061 1.00 0.00 H new ATOM 1977 N HIS B 26 13.225 18.545 -1.936 1.00 0.00 N ATOM 1978 CA HIS B 26 12.046 19.077 -2.610 1.00 0.00 C ATOM 1979 C HIS B 26 11.163 17.948 -3.133 1.00 0.00 C ATOM 1980 O HIS B 26 11.602 16.805 -3.248 1.00 0.00 O ATOM 1981 CB HIS B 26 12.463 19.991 -3.763 1.00 0.00 C ATOM 1982 CG HIS B 26 11.315 20.713 -4.400 1.00 0.00 C ATOM 1983 ND1 HIS B 26 10.515 20.366 -5.437 1.00 0.00 N flip ATOM 1984 CD2 HIS B 26 10.874 21.948 -3.975 1.00 0.00 C flip ATOM 1985 CE1 HIS B 26 9.617 21.388 -5.617 1.00 0.00 C flip ATOM 1986 NE2 HIS B 26 9.853 22.330 -4.723 1.00 0.00 N flip ATOM 0 H HIS B 26 13.974 18.254 -2.564 1.00 0.00 H new ATOM 0 HA HIS B 26 11.473 19.656 -1.886 1.00 0.00 H new ATOM 0 HB2 HIS B 26 13.182 20.723 -3.394 1.00 0.00 H new ATOM 0 HB3 HIS B 26 12.973 19.397 -4.521 1.00 0.00 H new ATOM 0 HD2 HIS B 26 11.297 22.515 -3.159 1.00 0.00 H new ATOM 0 HE1 HIS B 26 8.842 21.417 -6.369 1.00 0.00 H new ATOM 0 HE2 HIS B 26 9.336 23.204 -4.626 1.00 0.00 H new ATOM 1995 N SER B 27 9.915 18.280 -3.449 1.00 0.00 N ATOM 1996 CA SER B 27 8.967 17.296 -3.960 1.00 0.00 C ATOM 1997 C SER B 27 8.708 16.201 -2.931 1.00 0.00 C ATOM 1998 O SER B 27 9.569 15.892 -2.108 1.00 0.00 O ATOM 1999 CB SER B 27 9.491 16.679 -5.258 1.00 0.00 C ATOM 2000 OG SER B 27 9.036 17.403 -6.388 1.00 0.00 O ATOM 0 H SER B 27 9.537 19.223 -3.360 1.00 0.00 H new ATOM 0 HA SER B 27 8.026 17.807 -4.162 1.00 0.00 H new ATOM 0 HB2 SER B 27 10.581 16.667 -5.245 1.00 0.00 H new ATOM 0 HB3 SER B 27 9.162 15.642 -5.330 1.00 0.00 H new ATOM 0 HG SER B 27 9.352 18.329 -6.332 1.00 0.00 H new ATOM 2006 N VAL B 28 7.515 15.618 -2.984 1.00 0.00 N ATOM 2007 CA VAL B 28 7.138 14.557 -2.059 1.00 0.00 C ATOM 2008 C VAL B 28 7.625 13.199 -2.556 1.00 0.00 C ATOM 2009 O VAL B 28 6.829 12.292 -2.807 1.00 0.00 O ATOM 2010 CB VAL B 28 5.612 14.505 -1.860 1.00 0.00 C ATOM 2011 CG1 VAL B 28 5.115 15.789 -1.217 1.00 0.00 C ATOM 2012 CG2 VAL B 28 4.914 14.255 -3.187 1.00 0.00 C ATOM 0 H VAL B 28 6.792 15.864 -3.660 1.00 0.00 H new ATOM 0 HA VAL B 28 7.613 14.782 -1.104 1.00 0.00 H new ATOM 0 HB VAL B 28 5.375 13.679 -1.190 1.00 0.00 H new ATOM 0 HG11 VAL B 28 4.035 15.735 -1.084 1.00 0.00 H new ATOM 0 HG12 VAL B 28 5.594 15.919 -0.247 1.00 0.00 H new ATOM 0 HG13 VAL B 28 5.359 16.636 -1.859 1.00 0.00 H new ATOM 0 HG21 VAL B 28 3.836 14.221 -3.030 1.00 0.00 H new ATOM 0 HG22 VAL B 28 5.154 15.060 -3.882 1.00 0.00 H new ATOM 0 HG23 VAL B 28 5.251 13.305 -3.602 1.00 0.00 H new ATOM 2022 N THR B 29 8.937 13.067 -2.696 1.00 0.00 N ATOM 2023 CA THR B 29 9.537 11.824 -3.164 1.00 0.00 C ATOM 2024 C THR B 29 10.558 11.300 -2.164 1.00 0.00 C ATOM 2025 O THR B 29 10.771 11.886 -1.102 1.00 0.00 O ATOM 2026 CB THR B 29 10.204 12.031 -4.522 1.00 0.00 C ATOM 2027 OG1 THR B 29 11.084 13.139 -4.491 1.00 0.00 O ATOM 2028 CG2 THR B 29 9.215 12.257 -5.642 1.00 0.00 C ATOM 0 H THR B 29 9.608 13.807 -2.492 1.00 0.00 H new ATOM 0 HA THR B 29 8.741 11.087 -3.266 1.00 0.00 H new ATOM 0 HB THR B 29 10.748 11.107 -4.719 1.00 0.00 H new ATOM 0 HG1 THR B 29 11.377 13.349 -5.402 1.00 0.00 H new ATOM 0 HG21 THR B 29 9.753 12.397 -6.580 1.00 0.00 H new ATOM 0 HG22 THR B 29 8.557 11.392 -5.727 1.00 0.00 H new ATOM 0 HG23 THR B 29 8.620 13.145 -5.429 1.00 0.00 H new ATOM 2036 N LEU B 30 11.181 10.190 -2.520 1.00 0.00 N ATOM 2037 CA LEU B 30 12.187 9.559 -1.677 1.00 0.00 C ATOM 2038 C LEU B 30 13.430 9.229 -2.508 1.00 0.00 C ATOM 2039 O LEU B 30 13.826 10.016 -3.364 1.00 0.00 O ATOM 2040 CB LEU B 30 11.599 8.298 -1.028 1.00 0.00 C ATOM 2041 CG LEU B 30 11.969 8.076 0.443 1.00 0.00 C ATOM 2042 CD1 LEU B 30 11.492 6.713 0.911 1.00 0.00 C ATOM 2043 CD2 LEU B 30 13.470 8.224 0.664 1.00 0.00 C ATOM 0 H LEU B 30 11.006 9.701 -3.398 1.00 0.00 H new ATOM 0 HA LEU B 30 12.485 10.244 -0.883 1.00 0.00 H new ATOM 0 HB2 LEU B 30 10.513 8.343 -1.108 1.00 0.00 H new ATOM 0 HB3 LEU B 30 11.925 7.430 -1.601 1.00 0.00 H new ATOM 0 HG LEU B 30 11.468 8.842 1.034 1.00 0.00 H new ATOM 0 HD11 LEU B 30 11.763 6.572 1.957 1.00 0.00 H new ATOM 0 HD12 LEU B 30 10.409 6.650 0.805 1.00 0.00 H new ATOM 0 HD13 LEU B 30 11.961 5.936 0.307 1.00 0.00 H new ATOM 0 HD21 LEU B 30 13.701 8.061 1.717 1.00 0.00 H new ATOM 0 HD22 LEU B 30 14.001 7.490 0.058 1.00 0.00 H new ATOM 0 HD23 LEU B 30 13.783 9.227 0.375 1.00 0.00 H new ATOM 2055 N SER B 31 14.034 8.068 -2.273 1.00 0.00 N ATOM 2056 CA SER B 31 15.208 7.655 -3.019 1.00 0.00 C ATOM 2057 C SER B 31 15.447 6.163 -2.820 1.00 0.00 C ATOM 2058 O SER B 31 15.325 5.649 -1.709 1.00 0.00 O ATOM 2059 CB SER B 31 16.433 8.466 -2.588 1.00 0.00 C ATOM 2060 OG SER B 31 17.178 7.785 -1.600 1.00 0.00 O ATOM 0 H SER B 31 13.725 7.398 -1.569 1.00 0.00 H new ATOM 0 HA SER B 31 15.039 7.843 -4.079 1.00 0.00 H new ATOM 0 HB2 SER B 31 17.066 8.661 -3.454 1.00 0.00 H new ATOM 0 HB3 SER B 31 16.114 9.434 -2.203 1.00 0.00 H new ATOM 0 HG SER B 31 18.124 8.028 -1.679 1.00 0.00 H new ATOM 2066 N LYS B 32 15.764 5.473 -3.905 1.00 0.00 N ATOM 2067 CA LYS B 32 15.997 4.034 -3.857 1.00 0.00 C ATOM 2068 C LYS B 32 16.963 3.650 -2.746 1.00 0.00 C ATOM 2069 O LYS B 32 16.813 2.597 -2.130 1.00 0.00 O ATOM 2070 CB LYS B 32 16.533 3.541 -5.203 1.00 0.00 C ATOM 2071 CG LYS B 32 17.586 4.453 -5.811 1.00 0.00 C ATOM 2072 CD LYS B 32 18.462 3.707 -6.804 1.00 0.00 C ATOM 2073 CE LYS B 32 19.888 4.233 -6.793 1.00 0.00 C ATOM 2074 NZ LYS B 32 20.484 4.251 -8.158 1.00 0.00 N ATOM 0 H LYS B 32 15.866 5.886 -4.832 1.00 0.00 H new ATOM 0 HA LYS B 32 15.040 3.556 -3.646 1.00 0.00 H new ATOM 0 HB2 LYS B 32 16.958 2.546 -5.073 1.00 0.00 H new ATOM 0 HB3 LYS B 32 15.702 3.444 -5.902 1.00 0.00 H new ATOM 0 HG2 LYS B 32 17.099 5.290 -6.311 1.00 0.00 H new ATOM 0 HG3 LYS B 32 18.207 4.872 -5.019 1.00 0.00 H new ATOM 0 HD2 LYS B 32 18.463 2.644 -6.563 1.00 0.00 H new ATOM 0 HD3 LYS B 32 18.044 3.806 -7.806 1.00 0.00 H new ATOM 0 HE2 LYS B 32 19.900 5.241 -6.378 1.00 0.00 H new ATOM 0 HE3 LYS B 32 20.499 3.612 -6.138 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 21.457 4.616 -8.107 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 20.496 3.285 -8.544 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 19.916 4.864 -8.777 1.00 0.00 H new ATOM 2088 N THR B 33 17.959 4.492 -2.489 1.00 0.00 N ATOM 2089 CA THR B 33 18.928 4.198 -1.460 1.00 0.00 C ATOM 2090 C THR B 33 18.349 4.399 -0.065 1.00 0.00 C ATOM 2091 O THR B 33 18.395 3.493 0.767 1.00 0.00 O ATOM 2092 CB THR B 33 20.160 5.055 -1.655 1.00 0.00 C ATOM 2093 OG1 THR B 33 20.919 4.610 -2.766 1.00 0.00 O ATOM 2094 CG2 THR B 33 21.056 5.055 -0.452 1.00 0.00 C ATOM 0 H THR B 33 18.109 5.374 -2.979 1.00 0.00 H new ATOM 0 HA THR B 33 19.204 3.147 -1.546 1.00 0.00 H new ATOM 0 HB THR B 33 19.793 6.067 -1.824 1.00 0.00 H new ATOM 0 HG1 THR B 33 21.709 5.181 -2.872 1.00 0.00 H new ATOM 0 HG21 THR B 33 21.924 5.685 -0.645 1.00 0.00 H new ATOM 0 HG22 THR B 33 20.510 5.443 0.408 1.00 0.00 H new ATOM 0 HG23 THR B 33 21.385 4.037 -0.244 1.00 0.00 H new ATOM 2102 N GLU B 34 17.784 5.575 0.187 1.00 0.00 N ATOM 2103 CA GLU B 34 17.181 5.849 1.485 1.00 0.00 C ATOM 2104 C GLU B 34 16.140 4.782 1.776 1.00 0.00 C ATOM 2105 O GLU B 34 15.875 4.440 2.929 1.00 0.00 O ATOM 2106 CB GLU B 34 16.547 7.241 1.512 1.00 0.00 C ATOM 2107 CG GLU B 34 17.570 8.362 1.501 1.00 0.00 C ATOM 2108 CD GLU B 34 17.044 9.639 2.126 1.00 0.00 C ATOM 2109 OE1 GLU B 34 15.866 9.977 1.884 1.00 0.00 O ATOM 2110 OE2 GLU B 34 17.809 10.302 2.857 1.00 0.00 O ATOM 0 H GLU B 34 17.731 6.344 -0.481 1.00 0.00 H new ATOM 0 HA GLU B 34 17.954 5.827 2.253 1.00 0.00 H new ATOM 0 HB2 GLU B 34 15.888 7.350 0.651 1.00 0.00 H new ATOM 0 HB3 GLU B 34 15.925 7.333 2.403 1.00 0.00 H new ATOM 0 HG2 GLU B 34 18.462 8.040 2.038 1.00 0.00 H new ATOM 0 HG3 GLU B 34 17.872 8.563 0.473 1.00 0.00 H new ATOM 2117 N PHE B 35 15.578 4.246 0.700 1.00 0.00 N ATOM 2118 CA PHE B 35 14.587 3.195 0.790 1.00 0.00 C ATOM 2119 C PHE B 35 15.262 1.859 1.061 1.00 0.00 C ATOM 2120 O PHE B 35 14.798 1.075 1.889 1.00 0.00 O ATOM 2121 CB PHE B 35 13.788 3.116 -0.503 1.00 0.00 C ATOM 2122 CG PHE B 35 12.395 2.634 -0.280 1.00 0.00 C ATOM 2123 CD1 PHE B 35 12.168 1.381 0.256 1.00 0.00 C ATOM 2124 CD2 PHE B 35 11.315 3.437 -0.592 1.00 0.00 C ATOM 2125 CE1 PHE B 35 10.885 0.932 0.475 1.00 0.00 C ATOM 2126 CE2 PHE B 35 10.030 2.996 -0.374 1.00 0.00 C ATOM 2127 CZ PHE B 35 9.813 1.740 0.159 1.00 0.00 C ATOM 0 H PHE B 35 15.799 4.530 -0.254 1.00 0.00 H new ATOM 0 HA PHE B 35 13.910 3.424 1.613 1.00 0.00 H new ATOM 0 HB2 PHE B 35 13.759 4.100 -0.970 1.00 0.00 H new ATOM 0 HB3 PHE B 35 14.294 2.448 -1.200 1.00 0.00 H new ATOM 0 HD1 PHE B 35 13.006 0.747 0.506 1.00 0.00 H new ATOM 0 HD2 PHE B 35 11.481 4.419 -1.010 1.00 0.00 H new ATOM 0 HE1 PHE B 35 10.719 -0.050 0.893 1.00 0.00 H new ATOM 0 HE2 PHE B 35 9.192 3.631 -0.619 1.00 0.00 H new ATOM 0 HZ PHE B 35 8.805 1.391 0.328 1.00 0.00 H new ATOM 2137 N LEU B 36 16.368 1.606 0.365 1.00 0.00 N ATOM 2138 CA LEU B 36 17.100 0.371 0.545 1.00 0.00 C ATOM 2139 C LEU B 36 17.749 0.331 1.928 1.00 0.00 C ATOM 2140 O LEU B 36 18.053 -0.741 2.450 1.00 0.00 O ATOM 2141 CB LEU B 36 18.122 0.222 -0.581 1.00 0.00 C ATOM 2142 CG LEU B 36 19.548 0.658 -0.275 1.00 0.00 C ATOM 2143 CD1 LEU B 36 20.402 -0.535 0.119 1.00 0.00 C ATOM 2144 CD2 LEU B 36 20.111 1.351 -1.498 1.00 0.00 C ATOM 0 H LEU B 36 16.770 2.242 -0.324 1.00 0.00 H new ATOM 0 HA LEU B 36 16.417 -0.477 0.494 1.00 0.00 H new ATOM 0 HB2 LEU B 36 18.144 -0.825 -0.883 1.00 0.00 H new ATOM 0 HB3 LEU B 36 17.768 0.794 -1.439 1.00 0.00 H new ATOM 0 HG LEU B 36 19.551 1.349 0.568 1.00 0.00 H new ATOM 0 HD11 LEU B 36 21.417 -0.201 0.333 1.00 0.00 H new ATOM 0 HD12 LEU B 36 19.980 -1.007 1.006 1.00 0.00 H new ATOM 0 HD13 LEU B 36 20.422 -1.254 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU B 36 21.133 1.671 -1.297 1.00 0.00 H new ATOM 0 HD22 LEU B 36 20.106 0.661 -2.342 1.00 0.00 H new ATOM 0 HD23 LEU B 36 19.499 2.221 -1.737 1.00 0.00 H new ATOM 2156 N SER B 37 17.925 1.507 2.531 1.00 0.00 N ATOM 2157 CA SER B 37 18.498 1.601 3.868 1.00 0.00 C ATOM 2158 C SER B 37 17.422 1.317 4.914 1.00 0.00 C ATOM 2159 O SER B 37 17.713 0.857 6.017 1.00 0.00 O ATOM 2160 CB SER B 37 19.100 2.988 4.096 1.00 0.00 C ATOM 2161 OG SER B 37 20.473 3.013 3.742 1.00 0.00 O ATOM 0 H SER B 37 17.679 2.404 2.113 1.00 0.00 H new ATOM 0 HA SER B 37 19.292 0.860 3.962 1.00 0.00 H new ATOM 0 HB2 SER B 37 18.556 3.726 3.506 1.00 0.00 H new ATOM 0 HB3 SER B 37 18.986 3.270 5.143 1.00 0.00 H new ATOM 0 HG SER B 37 20.834 3.911 3.895 1.00 0.00 H new ATOM 2167 N PHE B 38 16.171 1.586 4.543 1.00 0.00 N ATOM 2168 CA PHE B 38 15.032 1.356 5.425 1.00 0.00 C ATOM 2169 C PHE B 38 14.799 -0.140 5.622 1.00 0.00 C ATOM 2170 O PHE B 38 14.217 -0.563 6.621 1.00 0.00 O ATOM 2171 CB PHE B 38 13.780 2.005 4.830 1.00 0.00 C ATOM 2172 CG PHE B 38 12.546 1.844 5.671 1.00 0.00 C ATOM 2173 CD1 PHE B 38 11.774 0.696 5.580 1.00 0.00 C ATOM 2174 CD2 PHE B 38 12.153 2.843 6.548 1.00 0.00 C ATOM 2175 CE1 PHE B 38 10.634 0.548 6.349 1.00 0.00 C ATOM 2176 CE2 PHE B 38 11.014 2.701 7.318 1.00 0.00 C ATOM 2177 CZ PHE B 38 10.254 1.552 7.218 1.00 0.00 C ATOM 0 H PHE B 38 15.922 1.966 3.630 1.00 0.00 H new ATOM 0 HA PHE B 38 15.245 1.803 6.396 1.00 0.00 H new ATOM 0 HB2 PHE B 38 13.970 3.068 4.683 1.00 0.00 H new ATOM 0 HB3 PHE B 38 13.594 1.575 3.846 1.00 0.00 H new ATOM 0 HD1 PHE B 38 12.066 -0.091 4.901 1.00 0.00 H new ATOM 0 HD2 PHE B 38 12.744 3.743 6.631 1.00 0.00 H new ATOM 0 HE1 PHE B 38 10.042 -0.352 6.270 1.00 0.00 H new ATOM 0 HE2 PHE B 38 10.719 3.487 7.997 1.00 0.00 H new ATOM 0 HZ PHE B 38 9.364 1.439 7.819 1.00 0.00 H new ATOM 2187 N MET B 39 15.251 -0.933 4.655 1.00 0.00 N ATOM 2188 CA MET B 39 15.091 -2.382 4.705 1.00 0.00 C ATOM 2189 C MET B 39 16.013 -3.014 5.745 1.00 0.00 C ATOM 2190 O MET B 39 15.615 -3.919 6.470 1.00 0.00 O ATOM 2191 CB MET B 39 15.379 -2.988 3.331 1.00 0.00 C ATOM 2192 CG MET B 39 14.549 -4.221 3.021 1.00 0.00 C ATOM 2193 SD MET B 39 13.119 -3.848 1.990 1.00 0.00 S ATOM 2194 CE MET B 39 12.094 -2.956 3.156 1.00 0.00 C ATOM 0 H MET B 39 15.734 -0.594 3.823 1.00 0.00 H new ATOM 0 HA MET B 39 14.061 -2.591 4.993 1.00 0.00 H new ATOM 0 HB2 MET B 39 15.194 -2.234 2.565 1.00 0.00 H new ATOM 0 HB3 MET B 39 16.436 -3.248 3.273 1.00 0.00 H new ATOM 0 HG2 MET B 39 15.174 -4.958 2.517 1.00 0.00 H new ATOM 0 HG3 MET B 39 14.212 -4.673 3.954 1.00 0.00 H new ATOM 0 HE1 MET B 39 11.264 -2.488 2.627 1.00 0.00 H new ATOM 0 HE2 MET B 39 11.705 -3.649 3.902 1.00 0.00 H new ATOM 0 HE3 MET B 39 12.689 -2.187 3.649 1.00 0.00 H new ATOM 2204 N ASN B 40 17.248 -2.538 5.807 1.00 0.00 N ATOM 2205 CA ASN B 40 18.220 -3.072 6.760 1.00 0.00 C ATOM 2206 C ASN B 40 17.920 -2.604 8.180 1.00 0.00 C ATOM 2207 O ASN B 40 18.406 -3.189 9.148 1.00 0.00 O ATOM 2208 CB ASN B 40 19.661 -2.691 6.377 1.00 0.00 C ATOM 2209 CG ASN B 40 19.752 -1.485 5.462 1.00 0.00 C ATOM 2210 OD1 ASN B 40 19.855 -0.348 5.921 1.00 0.00 O ATOM 2211 ND2 ASN B 40 19.718 -1.732 4.157 1.00 0.00 N ATOM 0 H ASN B 40 17.603 -1.788 5.214 1.00 0.00 H new ATOM 0 HA ASN B 40 18.132 -4.158 6.724 1.00 0.00 H new ATOM 0 HB2 ASN B 40 20.228 -2.489 7.286 1.00 0.00 H new ATOM 0 HB3 ASN B 40 20.135 -3.543 5.889 1.00 0.00 H new ATOM 0 HD21 ASN B 40 19.778 -0.962 3.491 1.00 0.00 H new ATOM 0 HD22 ASN B 40 19.632 -2.691 3.822 1.00 0.00 H new ATOM 2218 N THR B 41 17.145 -1.532 8.301 1.00 0.00 N ATOM 2219 CA THR B 41 16.820 -0.974 9.607 1.00 0.00 C ATOM 2220 C THR B 41 15.380 -1.261 10.034 1.00 0.00 C ATOM 2221 O THR B 41 15.133 -2.100 10.900 1.00 0.00 O ATOM 2222 CB THR B 41 17.052 0.536 9.590 1.00 0.00 C ATOM 2223 OG1 THR B 41 16.399 1.130 8.484 1.00 0.00 O ATOM 2224 CG2 THR B 41 18.512 0.917 9.517 1.00 0.00 C ATOM 0 H THR B 41 16.732 -1.034 7.513 1.00 0.00 H new ATOM 0 HA THR B 41 17.475 -1.456 10.333 1.00 0.00 H new ATOM 0 HB THR B 41 16.645 0.900 10.533 1.00 0.00 H new ATOM 0 HG1 THR B 41 16.930 0.985 7.674 1.00 0.00 H new ATOM 0 HG21 THR B 41 18.605 2.003 9.508 1.00 0.00 H new ATOM 0 HG22 THR B 41 19.037 0.515 10.384 1.00 0.00 H new ATOM 0 HG23 THR B 41 18.950 0.508 8.606 1.00 0.00 H new ATOM 2232 N GLU B 42 14.444 -0.520 9.453 1.00 0.00 N ATOM 2233 CA GLU B 42 13.028 -0.647 9.799 1.00 0.00 C ATOM 2234 C GLU B 42 12.417 -1.978 9.360 1.00 0.00 C ATOM 2235 O GLU B 42 11.524 -2.502 10.024 1.00 0.00 O ATOM 2236 CB GLU B 42 12.240 0.511 9.186 1.00 0.00 C ATOM 2237 CG GLU B 42 12.663 1.874 9.712 1.00 0.00 C ATOM 2238 CD GLU B 42 11.557 2.573 10.478 1.00 0.00 C ATOM 2239 OE1 GLU B 42 10.400 2.546 10.009 1.00 0.00 O ATOM 2240 OE2 GLU B 42 11.848 3.148 11.548 1.00 0.00 O ATOM 0 H GLU B 42 14.639 0.179 8.736 1.00 0.00 H new ATOM 0 HA GLU B 42 12.966 -0.616 10.887 1.00 0.00 H new ATOM 0 HB2 GLU B 42 12.365 0.493 8.103 1.00 0.00 H new ATOM 0 HB3 GLU B 42 11.179 0.365 9.387 1.00 0.00 H new ATOM 0 HG2 GLU B 42 13.530 1.755 10.361 1.00 0.00 H new ATOM 0 HG3 GLU B 42 12.974 2.501 8.876 1.00 0.00 H new ATOM 2247 N LEU B 43 12.887 -2.519 8.243 1.00 0.00 N ATOM 2248 CA LEU B 43 12.361 -3.782 7.737 1.00 0.00 C ATOM 2249 C LEU B 43 13.473 -4.809 7.604 1.00 0.00 C ATOM 2250 O LEU B 43 13.562 -5.525 6.607 1.00 0.00 O ATOM 2251 CB LEU B 43 11.676 -3.565 6.386 1.00 0.00 C ATOM 2252 CG LEU B 43 10.215 -3.124 6.471 1.00 0.00 C ATOM 2253 CD1 LEU B 43 9.639 -2.913 5.079 1.00 0.00 C ATOM 2254 CD2 LEU B 43 9.394 -4.148 7.243 1.00 0.00 C ATOM 0 H LEU B 43 13.626 -2.107 7.673 1.00 0.00 H new ATOM 0 HA LEU B 43 11.626 -4.160 8.448 1.00 0.00 H new ATOM 0 HB2 LEU B 43 12.235 -2.815 5.827 1.00 0.00 H new ATOM 0 HB3 LEU B 43 11.728 -4.492 5.815 1.00 0.00 H new ATOM 0 HG LEU B 43 10.171 -2.175 7.006 1.00 0.00 H new ATOM 0 HD11 LEU B 43 8.598 -2.599 5.160 1.00 0.00 H new ATOM 0 HD12 LEU B 43 10.211 -2.143 4.561 1.00 0.00 H new ATOM 0 HD13 LEU B 43 9.694 -3.845 4.517 1.00 0.00 H new ATOM 0 HD21 LEU B 43 8.356 -3.818 7.294 1.00 0.00 H new ATOM 0 HD22 LEU B 43 9.444 -5.112 6.736 1.00 0.00 H new ATOM 0 HD23 LEU B 43 9.793 -4.248 8.252 1.00 0.00 H new ATOM 2266 N ALA B 44 14.321 -4.872 8.622 1.00 0.00 N ATOM 2267 CA ALA B 44 15.437 -5.803 8.635 1.00 0.00 C ATOM 2268 C ALA B 44 14.957 -7.221 8.905 1.00 0.00 C ATOM 2269 O ALA B 44 15.602 -8.194 8.515 1.00 0.00 O ATOM 2270 CB ALA B 44 16.457 -5.370 9.674 1.00 0.00 C ATOM 0 H ALA B 44 14.255 -4.285 9.453 1.00 0.00 H new ATOM 0 HA ALA B 44 15.911 -5.795 7.654 1.00 0.00 H new ATOM 0 HB1 ALA B 44 17.291 -6.072 9.679 1.00 0.00 H new ATOM 0 HB2 ALA B 44 16.823 -4.373 9.431 1.00 0.00 H new ATOM 0 HB3 ALA B 44 15.990 -5.355 10.659 1.00 0.00 H new ATOM 2276 N ALA B 45 13.812 -7.331 9.567 1.00 0.00 N ATOM 2277 CA ALA B 45 13.230 -8.625 9.883 1.00 0.00 C ATOM 2278 C ALA B 45 12.871 -9.384 8.607 1.00 0.00 C ATOM 2279 O ALA B 45 12.777 -10.611 8.608 1.00 0.00 O ATOM 2280 CB ALA B 45 12.002 -8.436 10.760 1.00 0.00 C ATOM 0 H ALA B 45 13.267 -6.534 9.896 1.00 0.00 H new ATOM 0 HA ALA B 45 13.965 -9.217 10.428 1.00 0.00 H new ATOM 0 HB1 ALA B 45 11.569 -9.409 10.994 1.00 0.00 H new ATOM 0 HB2 ALA B 45 12.289 -7.934 11.684 1.00 0.00 H new ATOM 0 HB3 ALA B 45 11.267 -7.830 10.231 1.00 0.00 H new ATOM 2286 N PHE B 46 12.676 -8.642 7.519 1.00 0.00 N ATOM 2287 CA PHE B 46 12.330 -9.238 6.234 1.00 0.00 C ATOM 2288 C PHE B 46 13.575 -9.443 5.375 1.00 0.00 C ATOM 2289 O PHE B 46 13.619 -10.340 4.533 1.00 0.00 O ATOM 2290 CB PHE B 46 11.323 -8.352 5.494 1.00 0.00 C ATOM 2291 CG PHE B 46 9.952 -8.355 6.111 1.00 0.00 C ATOM 2292 CD1 PHE B 46 9.382 -9.533 6.566 1.00 0.00 C ATOM 2293 CD2 PHE B 46 9.233 -7.176 6.234 1.00 0.00 C ATOM 2294 CE1 PHE B 46 8.122 -9.537 7.133 1.00 0.00 C ATOM 2295 CE2 PHE B 46 7.972 -7.174 6.799 1.00 0.00 C ATOM 2296 CZ PHE B 46 7.416 -8.355 7.250 1.00 0.00 C ATOM 0 H PHE B 46 12.752 -7.625 7.504 1.00 0.00 H new ATOM 0 HA PHE B 46 11.878 -10.212 6.422 1.00 0.00 H new ATOM 0 HB2 PHE B 46 11.700 -7.329 5.471 1.00 0.00 H new ATOM 0 HB3 PHE B 46 11.248 -8.688 4.460 1.00 0.00 H new ATOM 0 HD1 PHE B 46 9.929 -10.460 6.476 1.00 0.00 H new ATOM 0 HD2 PHE B 46 9.663 -6.249 5.884 1.00 0.00 H new ATOM 0 HE1 PHE B 46 7.690 -10.462 7.484 1.00 0.00 H new ATOM 0 HE2 PHE B 46 7.421 -6.249 6.888 1.00 0.00 H new ATOM 0 HZ PHE B 46 6.431 -8.355 7.693 1.00 0.00 H new ATOM 2306 N THR B 47 14.586 -8.605 5.592 1.00 0.00 N ATOM 2307 CA THR B 47 15.832 -8.695 4.837 1.00 0.00 C ATOM 2308 C THR B 47 17.030 -8.817 5.775 1.00 0.00 C ATOM 2309 O THR B 47 18.063 -8.180 5.566 1.00 0.00 O ATOM 2310 CB THR B 47 15.996 -7.468 3.937 1.00 0.00 C ATOM 2311 OG1 THR B 47 17.142 -7.599 3.115 1.00 0.00 O ATOM 2312 CG2 THR B 47 16.131 -6.173 4.710 1.00 0.00 C ATOM 0 H THR B 47 14.566 -7.856 6.284 1.00 0.00 H new ATOM 0 HA THR B 47 15.788 -9.590 4.216 1.00 0.00 H new ATOM 0 HB THR B 47 15.085 -7.423 3.340 1.00 0.00 H new ATOM 0 HG1 THR B 47 17.927 -7.776 3.674 1.00 0.00 H new ATOM 0 HG21 THR B 47 16.244 -5.343 4.013 1.00 0.00 H new ATOM 0 HG22 THR B 47 15.240 -6.017 5.318 1.00 0.00 H new ATOM 0 HG23 THR B 47 17.007 -6.225 5.357 1.00 0.00 H new ATOM 2320 N LYS B 48 16.884 -9.637 6.810 1.00 0.00 N ATOM 2321 CA LYS B 48 17.953 -9.840 7.781 1.00 0.00 C ATOM 2322 C LYS B 48 18.914 -10.930 7.315 1.00 0.00 C ATOM 2323 O LYS B 48 20.050 -10.646 6.933 1.00 0.00 O ATOM 2324 CB LYS B 48 17.364 -10.207 9.146 1.00 0.00 C ATOM 2325 CG LYS B 48 17.677 -9.194 10.234 1.00 0.00 C ATOM 2326 CD LYS B 48 16.947 -9.521 11.526 1.00 0.00 C ATOM 2327 CE LYS B 48 17.758 -10.461 12.403 1.00 0.00 C ATOM 2328 NZ LYS B 48 19.151 -9.972 12.600 1.00 0.00 N ATOM 0 H LYS B 48 16.036 -10.172 6.998 1.00 0.00 H new ATOM 0 HA LYS B 48 18.511 -8.908 7.872 1.00 0.00 H new ATOM 0 HB2 LYS B 48 16.282 -10.304 9.052 1.00 0.00 H new ATOM 0 HB3 LYS B 48 17.747 -11.182 9.448 1.00 0.00 H new ATOM 0 HG2 LYS B 48 18.751 -9.175 10.417 1.00 0.00 H new ATOM 0 HG3 LYS B 48 17.393 -8.197 9.897 1.00 0.00 H new ATOM 0 HD2 LYS B 48 16.741 -8.600 12.072 1.00 0.00 H new ATOM 0 HD3 LYS B 48 15.984 -9.977 11.295 1.00 0.00 H new ATOM 0 HE2 LYS B 48 17.270 -10.566 13.372 1.00 0.00 H new ATOM 0 HE3 LYS B 48 17.782 -11.452 11.949 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 19.508 -10.302 13.519 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 19.759 -10.340 11.840 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 19.160 -8.932 12.578 1.00 0.00 H new ATOM 2342 N ASN B 49 18.454 -12.175 7.351 1.00 0.00 N ATOM 2343 CA ASN B 49 19.276 -13.307 6.934 1.00 0.00 C ATOM 2344 C ASN B 49 19.123 -13.586 5.439 1.00 0.00 C ATOM 2345 O ASN B 49 19.597 -14.607 4.942 1.00 0.00 O ATOM 2346 CB ASN B 49 18.901 -14.554 7.735 1.00 0.00 C ATOM 2347 CG ASN B 49 18.993 -14.331 9.232 1.00 0.00 C ATOM 2348 OD1 ASN B 49 18.677 -13.250 9.730 1.00 0.00 O ATOM 2349 ND2 ASN B 49 19.427 -15.354 9.958 1.00 0.00 N ATOM 0 H ASN B 49 17.517 -12.427 7.664 1.00 0.00 H new ATOM 0 HA ASN B 49 20.318 -13.052 7.127 1.00 0.00 H new ATOM 0 HB2 ASN B 49 17.886 -14.856 7.477 1.00 0.00 H new ATOM 0 HB3 ASN B 49 19.559 -15.375 7.452 1.00 0.00 H new ATOM 0 HD21 ASN B 49 19.509 -15.262 10.971 1.00 0.00 H new ATOM 0 HD22 ASN B 49 19.678 -16.232 9.503 1.00 0.00 H new ATOM 2356 N GLN B 50 18.464 -12.677 4.725 1.00 0.00 N ATOM 2357 CA GLN B 50 18.258 -12.836 3.289 1.00 0.00 C ATOM 2358 C GLN B 50 17.537 -14.146 2.984 1.00 0.00 C ATOM 2359 O GLN B 50 17.841 -14.820 1.999 1.00 0.00 O ATOM 2360 CB GLN B 50 19.602 -12.788 2.554 1.00 0.00 C ATOM 2361 CG GLN B 50 19.697 -11.666 1.533 1.00 0.00 C ATOM 2362 CD GLN B 50 18.537 -11.663 0.557 1.00 0.00 C ATOM 2363 OE1 GLN B 50 18.579 -12.330 -0.476 1.00 0.00 O ATOM 2364 NE2 GLN B 50 17.492 -10.911 0.884 1.00 0.00 N ATOM 0 H GLN B 50 18.064 -11.824 5.117 1.00 0.00 H new ATOM 0 HA GLN B 50 17.633 -12.014 2.940 1.00 0.00 H new ATOM 0 HB2 GLN B 50 20.402 -12.672 3.285 1.00 0.00 H new ATOM 0 HB3 GLN B 50 19.766 -13.741 2.051 1.00 0.00 H new ATOM 0 HG2 GLN B 50 19.731 -10.709 2.053 1.00 0.00 H new ATOM 0 HG3 GLN B 50 20.631 -11.762 0.980 1.00 0.00 H new ATOM 0 HE21 GLN B 50 17.501 -10.374 1.751 1.00 0.00 H new ATOM 0 HE22 GLN B 50 16.680 -10.870 0.268 1.00 0.00 H new ATOM 2373 N LYS B 51 16.578 -14.500 3.833 1.00 0.00 N ATOM 2374 CA LYS B 51 15.812 -15.729 3.654 1.00 0.00 C ATOM 2375 C LYS B 51 15.169 -15.772 2.270 1.00 0.00 C ATOM 2376 O LYS B 51 15.096 -16.829 1.641 1.00 0.00 O ATOM 2377 CB LYS B 51 14.735 -15.846 4.735 1.00 0.00 C ATOM 2378 CG LYS B 51 14.714 -17.199 5.427 1.00 0.00 C ATOM 2379 CD LYS B 51 13.297 -17.731 5.577 1.00 0.00 C ATOM 2380 CE LYS B 51 13.024 -18.203 6.997 1.00 0.00 C ATOM 2381 NZ LYS B 51 11.651 -17.843 7.448 1.00 0.00 N ATOM 0 H LYS B 51 16.312 -13.953 4.652 1.00 0.00 H new ATOM 0 HA LYS B 51 16.498 -16.572 3.743 1.00 0.00 H new ATOM 0 HB2 LYS B 51 14.895 -15.068 5.481 1.00 0.00 H new ATOM 0 HB3 LYS B 51 13.759 -15.662 4.286 1.00 0.00 H new ATOM 0 HG2 LYS B 51 15.311 -17.910 4.855 1.00 0.00 H new ATOM 0 HG3 LYS B 51 15.176 -17.112 6.410 1.00 0.00 H new ATOM 0 HD2 LYS B 51 12.584 -16.951 5.309 1.00 0.00 H new ATOM 0 HD3 LYS B 51 13.142 -18.557 4.882 1.00 0.00 H new ATOM 0 HE2 LYS B 51 13.152 -19.284 7.051 1.00 0.00 H new ATOM 0 HE3 LYS B 51 13.756 -17.761 7.673 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 11.505 -18.182 8.420 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 11.537 -16.810 7.421 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 10.952 -18.285 6.818 1.00 0.00 H new ATOM 2395 N ASP B 52 14.706 -14.618 1.803 1.00 0.00 N ATOM 2396 CA ASP B 52 14.072 -14.521 0.495 1.00 0.00 C ATOM 2397 C ASP B 52 14.651 -13.352 -0.302 1.00 0.00 C ATOM 2398 O ASP B 52 14.303 -12.195 -0.064 1.00 0.00 O ATOM 2399 CB ASP B 52 12.560 -14.348 0.651 1.00 0.00 C ATOM 2400 CG ASP B 52 11.824 -15.673 0.656 1.00 0.00 C ATOM 2401 OD1 ASP B 52 11.689 -16.273 1.744 1.00 0.00 O ATOM 2402 OD2 ASP B 52 11.383 -16.112 -0.426 1.00 0.00 O ATOM 0 H ASP B 52 14.758 -13.736 2.312 1.00 0.00 H new ATOM 0 HA ASP B 52 14.270 -15.444 -0.050 1.00 0.00 H new ATOM 0 HB2 ASP B 52 12.352 -13.816 1.580 1.00 0.00 H new ATOM 0 HB3 ASP B 52 12.182 -13.729 -0.162 1.00 0.00 H new ATOM 2407 N PRO B 53 15.551 -13.637 -1.262 1.00 0.00 N ATOM 2408 CA PRO B 53 16.184 -12.605 -2.093 1.00 0.00 C ATOM 2409 C PRO B 53 15.217 -11.963 -3.087 1.00 0.00 C ATOM 2410 O PRO B 53 15.599 -11.070 -3.843 1.00 0.00 O ATOM 2411 CB PRO B 53 17.289 -13.364 -2.848 1.00 0.00 C ATOM 2412 CG PRO B 53 17.390 -14.698 -2.183 1.00 0.00 C ATOM 2413 CD PRO B 53 16.033 -14.979 -1.613 1.00 0.00 C ATOM 0 HA PRO B 53 16.551 -11.781 -1.482 1.00 0.00 H new ATOM 0 HB2 PRO B 53 17.040 -13.471 -3.904 1.00 0.00 H new ATOM 0 HB3 PRO B 53 18.237 -12.828 -2.797 1.00 0.00 H new ATOM 0 HG2 PRO B 53 17.681 -15.469 -2.897 1.00 0.00 H new ATOM 0 HG3 PRO B 53 18.148 -14.687 -1.400 1.00 0.00 H new ATOM 0 HD2 PRO B 53 15.382 -15.467 -2.338 1.00 0.00 H new ATOM 0 HD3 PRO B 53 16.086 -15.632 -0.742 1.00 0.00 H new ATOM 2421 N GLY B 54 13.966 -12.418 -3.087 1.00 0.00 N ATOM 2422 CA GLY B 54 12.979 -11.869 -3.998 1.00 0.00 C ATOM 2423 C GLY B 54 12.063 -10.860 -3.333 1.00 0.00 C ATOM 2424 O GLY B 54 11.146 -10.338 -3.964 1.00 0.00 O ATOM 0 H GLY B 54 13.620 -13.156 -2.473 1.00 0.00 H new ATOM 0 HA2 GLY B 54 13.489 -11.393 -4.835 1.00 0.00 H new ATOM 0 HA3 GLY B 54 12.380 -12.681 -4.410 1.00 0.00 H new ATOM 2428 N VAL B 55 12.301 -10.586 -2.056 1.00 0.00 N ATOM 2429 CA VAL B 55 11.484 -9.631 -1.319 1.00 0.00 C ATOM 2430 C VAL B 55 11.971 -8.202 -1.530 1.00 0.00 C ATOM 2431 O VAL B 55 11.242 -7.351 -2.039 1.00 0.00 O ATOM 2432 CB VAL B 55 11.490 -9.938 0.191 1.00 0.00 C ATOM 2433 CG1 VAL B 55 10.499 -9.046 0.922 1.00 0.00 C ATOM 2434 CG2 VAL B 55 11.187 -11.407 0.442 1.00 0.00 C ATOM 0 H VAL B 55 13.051 -11.011 -1.511 1.00 0.00 H new ATOM 0 HA VAL B 55 10.469 -9.726 -1.704 1.00 0.00 H new ATOM 0 HB VAL B 55 12.486 -9.728 0.580 1.00 0.00 H new ATOM 0 HG11 VAL B 55 10.518 -9.278 1.987 1.00 0.00 H new ATOM 0 HG12 VAL B 55 10.771 -8.001 0.773 1.00 0.00 H new ATOM 0 HG13 VAL B 55 9.496 -9.219 0.531 1.00 0.00 H new ATOM 0 HG21 VAL B 55 11.196 -11.602 1.514 1.00 0.00 H new ATOM 0 HG22 VAL B 55 10.205 -11.650 0.037 1.00 0.00 H new ATOM 0 HG23 VAL B 55 11.943 -12.023 -0.045 1.00 0.00 H new ATOM 2444 N LEU B 56 13.206 -7.947 -1.113 1.00 0.00 N ATOM 2445 CA LEU B 56 13.807 -6.624 -1.225 1.00 0.00 C ATOM 2446 C LEU B 56 14.219 -6.310 -2.662 1.00 0.00 C ATOM 2447 O LEU B 56 13.883 -5.256 -3.198 1.00 0.00 O ATOM 2448 CB LEU B 56 15.017 -6.551 -0.290 1.00 0.00 C ATOM 2449 CG LEU B 56 16.066 -5.489 -0.622 1.00 0.00 C ATOM 2450 CD1 LEU B 56 15.581 -4.109 -0.209 1.00 0.00 C ATOM 2451 CD2 LEU B 56 17.376 -5.828 0.068 1.00 0.00 C ATOM 0 H LEU B 56 13.815 -8.647 -0.690 1.00 0.00 H new ATOM 0 HA LEU B 56 13.068 -5.877 -0.936 1.00 0.00 H new ATOM 0 HB2 LEU B 56 14.657 -6.371 0.723 1.00 0.00 H new ATOM 0 HB3 LEU B 56 15.506 -7.525 -0.286 1.00 0.00 H new ATOM 0 HG LEU B 56 16.229 -5.478 -1.700 1.00 0.00 H new ATOM 0 HD11 LEU B 56 16.342 -3.368 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU B 56 14.660 -3.873 -0.741 1.00 0.00 H new ATOM 0 HD13 LEU B 56 15.393 -4.096 0.865 1.00 0.00 H new ATOM 0 HD21 LEU B 56 18.120 -5.069 -0.171 1.00 0.00 H new ATOM 0 HD22 LEU B 56 17.222 -5.858 1.147 1.00 0.00 H new ATOM 0 HD23 LEU B 56 17.727 -6.801 -0.275 1.00 0.00 H new ATOM 2463 N ASP B 57 14.963 -7.222 -3.271 1.00 0.00 N ATOM 2464 CA ASP B 57 15.440 -7.036 -4.637 1.00 0.00 C ATOM 2465 C ASP B 57 14.287 -6.770 -5.601 1.00 0.00 C ATOM 2466 O ASP B 57 14.436 -6.028 -6.571 1.00 0.00 O ATOM 2467 CB ASP B 57 16.224 -8.269 -5.087 1.00 0.00 C ATOM 2468 CG ASP B 57 17.314 -7.930 -6.085 1.00 0.00 C ATOM 2469 OD1 ASP B 57 18.448 -7.639 -5.649 1.00 0.00 O ATOM 2470 OD2 ASP B 57 17.034 -7.956 -7.302 1.00 0.00 O ATOM 0 H ASP B 57 15.251 -8.101 -2.841 1.00 0.00 H new ATOM 0 HA ASP B 57 16.094 -6.164 -4.649 1.00 0.00 H new ATOM 0 HB2 ASP B 57 16.670 -8.750 -4.216 1.00 0.00 H new ATOM 0 HB3 ASP B 57 15.538 -8.989 -5.533 1.00 0.00 H new ATOM 2475 N ARG B 58 13.142 -7.384 -5.333 1.00 0.00 N ATOM 2476 CA ARG B 58 11.969 -7.222 -6.176 1.00 0.00 C ATOM 2477 C ARG B 58 11.460 -5.783 -6.166 1.00 0.00 C ATOM 2478 O ARG B 58 11.051 -5.256 -7.200 1.00 0.00 O ATOM 2479 CB ARG B 58 10.868 -8.169 -5.706 1.00 0.00 C ATOM 2480 CG ARG B 58 9.688 -8.257 -6.652 1.00 0.00 C ATOM 2481 CD ARG B 58 8.674 -7.154 -6.390 1.00 0.00 C ATOM 2482 NE ARG B 58 7.417 -7.388 -7.097 1.00 0.00 N ATOM 2483 CZ ARG B 58 6.497 -8.265 -6.704 1.00 0.00 C ATOM 2484 NH1 ARG B 58 6.690 -8.996 -5.613 1.00 0.00 N ATOM 2485 NH2 ARG B 58 5.380 -8.413 -7.404 1.00 0.00 N ATOM 0 H ARG B 58 13.002 -8.002 -4.533 1.00 0.00 H new ATOM 0 HA ARG B 58 12.253 -7.464 -7.200 1.00 0.00 H new ATOM 0 HB2 ARG B 58 11.291 -9.165 -5.575 1.00 0.00 H new ATOM 0 HB3 ARG B 58 10.514 -7.842 -4.729 1.00 0.00 H new ATOM 0 HG2 ARG B 58 10.041 -8.190 -7.681 1.00 0.00 H new ATOM 0 HG3 ARG B 58 9.206 -9.228 -6.543 1.00 0.00 H new ATOM 0 HD2 ARG B 58 8.481 -7.086 -5.319 1.00 0.00 H new ATOM 0 HD3 ARG B 58 9.092 -6.196 -6.700 1.00 0.00 H new ATOM 0 HE ARG B 58 7.234 -6.847 -7.942 1.00 0.00 H new ATOM 0 HH11 ARG B 58 7.547 -8.887 -5.071 1.00 0.00 H new ATOM 0 HH12 ARG B 58 5.981 -9.667 -5.317 1.00 0.00 H new ATOM 0 HH21 ARG B 58 5.226 -7.854 -8.244 1.00 0.00 H new ATOM 0 HH22 ARG B 58 4.675 -9.085 -7.103 1.00 0.00 H new ATOM 2498 N MET B 59 11.475 -5.154 -4.996 1.00 0.00 N ATOM 2499 CA MET B 59 10.999 -3.780 -4.868 1.00 0.00 C ATOM 2500 C MET B 59 11.830 -2.829 -5.717 1.00 0.00 C ATOM 2501 O MET B 59 11.296 -2.071 -6.527 1.00 0.00 O ATOM 2502 CB MET B 59 11.035 -3.353 -3.393 1.00 0.00 C ATOM 2503 CG MET B 59 12.286 -2.579 -2.960 1.00 0.00 C ATOM 2504 SD MET B 59 12.097 -1.746 -1.370 1.00 0.00 S ATOM 2505 CE MET B 59 10.830 -2.746 -0.607 1.00 0.00 C ATOM 0 H MET B 59 11.809 -5.570 -4.127 1.00 0.00 H new ATOM 0 HA MET B 59 9.971 -3.736 -5.229 1.00 0.00 H new ATOM 0 HB2 MET B 59 10.159 -2.737 -3.190 1.00 0.00 H new ATOM 0 HB3 MET B 59 10.948 -4.245 -2.772 1.00 0.00 H new ATOM 0 HG2 MET B 59 13.129 -3.268 -2.903 1.00 0.00 H new ATOM 0 HG3 MET B 59 12.529 -1.839 -3.723 1.00 0.00 H new ATOM 0 HE1 MET B 59 10.285 -2.148 0.123 1.00 0.00 H new ATOM 0 HE2 MET B 59 10.140 -3.104 -1.371 1.00 0.00 H new ATOM 0 HE3 MET B 59 11.291 -3.598 -0.106 1.00 0.00 H new ATOM 2515 N MET B 60 13.133 -2.867 -5.508 1.00 0.00 N ATOM 2516 CA MET B 60 14.050 -1.999 -6.238 1.00 0.00 C ATOM 2517 C MET B 60 14.125 -2.380 -7.712 1.00 0.00 C ATOM 2518 O MET B 60 14.358 -1.530 -8.570 1.00 0.00 O ATOM 2519 CB MET B 60 15.437 -2.041 -5.601 1.00 0.00 C ATOM 2520 CG MET B 60 15.469 -1.454 -4.198 1.00 0.00 C ATOM 2521 SD MET B 60 15.905 0.293 -4.188 1.00 0.00 S ATOM 2522 CE MET B 60 14.598 0.967 -5.208 1.00 0.00 C ATOM 0 H MET B 60 13.585 -3.490 -4.838 1.00 0.00 H new ATOM 0 HA MET B 60 13.666 -0.980 -6.180 1.00 0.00 H new ATOM 0 HB2 MET B 60 15.782 -3.074 -5.564 1.00 0.00 H new ATOM 0 HB3 MET B 60 16.137 -1.494 -6.233 1.00 0.00 H new ATOM 0 HG2 MET B 60 14.492 -1.584 -3.732 1.00 0.00 H new ATOM 0 HG3 MET B 60 16.187 -2.007 -3.593 1.00 0.00 H new ATOM 0 HE1 MET B 60 14.408 2.001 -4.920 1.00 0.00 H new ATOM 0 HE2 MET B 60 14.898 0.931 -6.255 1.00 0.00 H new ATOM 0 HE3 MET B 60 13.690 0.380 -5.071 1.00 0.00 H new ATOM 2532 N LYS B 61 13.918 -3.657 -7.999 1.00 0.00 N ATOM 2533 CA LYS B 61 13.952 -4.143 -9.373 1.00 0.00 C ATOM 2534 C LYS B 61 12.653 -3.799 -10.093 1.00 0.00 C ATOM 2535 O LYS B 61 12.659 -3.127 -11.125 1.00 0.00 O ATOM 2536 CB LYS B 61 14.180 -5.655 -9.400 1.00 0.00 C ATOM 2537 CG LYS B 61 15.630 -6.057 -9.192 1.00 0.00 C ATOM 2538 CD LYS B 61 16.542 -5.395 -10.212 1.00 0.00 C ATOM 2539 CE LYS B 61 17.888 -6.099 -10.297 1.00 0.00 C ATOM 2540 NZ LYS B 61 18.457 -6.045 -11.671 1.00 0.00 N ATOM 0 H LYS B 61 13.725 -4.375 -7.301 1.00 0.00 H new ATOM 0 HA LYS B 61 14.779 -3.654 -9.888 1.00 0.00 H new ATOM 0 HB2 LYS B 61 13.569 -6.120 -8.626 1.00 0.00 H new ATOM 0 HB3 LYS B 61 13.837 -6.048 -10.357 1.00 0.00 H new ATOM 0 HG2 LYS B 61 15.945 -5.780 -8.186 1.00 0.00 H new ATOM 0 HG3 LYS B 61 15.723 -7.140 -9.268 1.00 0.00 H new ATOM 0 HD2 LYS B 61 16.063 -5.405 -11.191 1.00 0.00 H new ATOM 0 HD3 LYS B 61 16.693 -4.350 -9.942 1.00 0.00 H new ATOM 0 HE2 LYS B 61 18.584 -5.637 -9.597 1.00 0.00 H new ATOM 0 HE3 LYS B 61 17.773 -7.139 -9.992 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 19.374 -6.536 -11.687 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 17.805 -6.509 -12.335 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 18.591 -5.053 -11.953 1.00 0.00 H new ATOM 2554 N LYS B 62 11.539 -4.267 -9.537 1.00 0.00 N ATOM 2555 CA LYS B 62 10.223 -4.014 -10.115 1.00 0.00 C ATOM 2556 C LYS B 62 9.701 -2.622 -9.749 1.00 0.00 C ATOM 2557 O LYS B 62 8.556 -2.288 -10.052 1.00 0.00 O ATOM 2558 CB LYS B 62 9.228 -5.076 -9.645 1.00 0.00 C ATOM 2559 CG LYS B 62 9.463 -6.444 -10.264 1.00 0.00 C ATOM 2560 CD LYS B 62 10.825 -7.001 -9.886 1.00 0.00 C ATOM 2561 CE LYS B 62 10.928 -8.483 -10.205 1.00 0.00 C ATOM 2562 NZ LYS B 62 12.344 -8.928 -10.327 1.00 0.00 N ATOM 0 H LYS B 62 11.522 -4.826 -8.684 1.00 0.00 H new ATOM 0 HA LYS B 62 10.326 -4.062 -11.199 1.00 0.00 H new ATOM 0 HB2 LYS B 62 9.286 -5.162 -8.560 1.00 0.00 H new ATOM 0 HB3 LYS B 62 8.217 -4.746 -9.885 1.00 0.00 H new ATOM 0 HG2 LYS B 62 8.684 -7.132 -9.935 1.00 0.00 H new ATOM 0 HG3 LYS B 62 9.387 -6.371 -11.349 1.00 0.00 H new ATOM 0 HD2 LYS B 62 11.603 -6.457 -10.422 1.00 0.00 H new ATOM 0 HD3 LYS B 62 11.001 -6.844 -8.822 1.00 0.00 H new ATOM 0 HE2 LYS B 62 10.433 -9.058 -9.422 1.00 0.00 H new ATOM 0 HE3 LYS B 62 10.401 -8.691 -11.136 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 12.371 -9.945 -10.545 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 12.810 -8.398 -11.091 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 12.841 -8.753 -9.431 1.00 0.00 H new ATOM 2576 N LEU B 63 10.536 -1.815 -9.091 1.00 0.00 N ATOM 2577 CA LEU B 63 10.140 -0.467 -8.685 1.00 0.00 C ATOM 2578 C LEU B 63 9.421 0.261 -9.807 1.00 0.00 C ATOM 2579 O LEU B 63 8.534 1.079 -9.566 1.00 0.00 O ATOM 2580 CB LEU B 63 11.363 0.333 -8.218 1.00 0.00 C ATOM 2581 CG LEU B 63 12.160 1.034 -9.323 1.00 0.00 C ATOM 2582 CD1 LEU B 63 13.211 1.949 -8.714 1.00 0.00 C ATOM 2583 CD2 LEU B 63 12.808 0.013 -10.250 1.00 0.00 C ATOM 0 H LEU B 63 11.488 -2.072 -8.829 1.00 0.00 H new ATOM 0 HA LEU B 63 9.444 -0.560 -7.851 1.00 0.00 H new ATOM 0 HB2 LEU B 63 11.031 1.085 -7.502 1.00 0.00 H new ATOM 0 HB3 LEU B 63 12.033 -0.341 -7.684 1.00 0.00 H new ATOM 0 HG LEU B 63 11.473 1.640 -9.914 1.00 0.00 H new ATOM 0 HD11 LEU B 63 13.770 2.441 -9.510 1.00 0.00 H new ATOM 0 HD12 LEU B 63 12.723 2.702 -8.094 1.00 0.00 H new ATOM 0 HD13 LEU B 63 13.894 1.361 -8.101 1.00 0.00 H new ATOM 0 HD21 LEU B 63 13.369 0.532 -11.027 1.00 0.00 H new ATOM 0 HD22 LEU B 63 13.484 -0.621 -9.677 1.00 0.00 H new ATOM 0 HD23 LEU B 63 12.035 -0.603 -10.710 1.00 0.00 H new ATOM 2595 N ASP B 64 9.803 -0.059 -11.028 1.00 0.00 N ATOM 2596 CA ASP B 64 9.203 0.537 -12.208 1.00 0.00 C ATOM 2597 C ASP B 64 8.951 2.035 -12.033 1.00 0.00 C ATOM 2598 O ASP B 64 7.874 2.446 -11.605 1.00 0.00 O ATOM 2599 CB ASP B 64 7.894 -0.176 -12.554 1.00 0.00 C ATOM 2600 CG ASP B 64 7.569 -0.101 -14.033 1.00 0.00 C ATOM 2601 OD1 ASP B 64 8.431 -0.483 -14.851 1.00 0.00 O ATOM 2602 OD2 ASP B 64 6.451 0.340 -14.373 1.00 0.00 O ATOM 0 H ASP B 64 10.537 -0.738 -11.231 1.00 0.00 H new ATOM 0 HA ASP B 64 9.912 0.416 -13.027 1.00 0.00 H new ATOM 0 HB2 ASP B 64 7.962 -1.221 -12.252 1.00 0.00 H new ATOM 0 HB3 ASP B 64 7.079 0.269 -11.983 1.00 0.00 H new ATOM 2607 N LEU B 65 9.949 2.843 -12.373 1.00 0.00 N ATOM 2608 CA LEU B 65 9.829 4.291 -12.260 1.00 0.00 C ATOM 2609 C LEU B 65 10.925 4.994 -13.056 1.00 0.00 C ATOM 2610 O LEU B 65 12.114 4.762 -12.835 1.00 0.00 O ATOM 2611 CB LEU B 65 9.891 4.721 -10.792 1.00 0.00 C ATOM 2612 CG LEU B 65 11.267 4.601 -10.137 1.00 0.00 C ATOM 2613 CD1 LEU B 65 11.990 5.940 -10.163 1.00 0.00 C ATOM 2614 CD2 LEU B 65 11.136 4.092 -8.711 1.00 0.00 C ATOM 0 H LEU B 65 10.849 2.520 -12.729 1.00 0.00 H new ATOM 0 HA LEU B 65 8.863 4.581 -12.673 1.00 0.00 H new ATOM 0 HB2 LEU B 65 9.561 5.757 -10.719 1.00 0.00 H new ATOM 0 HB3 LEU B 65 9.182 4.120 -10.223 1.00 0.00 H new ATOM 0 HG LEU B 65 11.857 3.882 -10.705 1.00 0.00 H new ATOM 0 HD11 LEU B 65 12.968 5.835 -9.692 1.00 0.00 H new ATOM 0 HD12 LEU B 65 12.117 6.265 -11.196 1.00 0.00 H new ATOM 0 HD13 LEU B 65 11.404 6.681 -9.620 1.00 0.00 H new ATOM 0 HD21 LEU B 65 12.125 4.013 -8.261 1.00 0.00 H new ATOM 0 HD22 LEU B 65 10.528 4.786 -8.131 1.00 0.00 H new ATOM 0 HD23 LEU B 65 10.661 3.111 -8.717 1.00 0.00 H new ATOM 2626 N ASN B 66 10.515 5.856 -13.981 1.00 0.00 N ATOM 2627 CA ASN B 66 11.460 6.595 -14.809 1.00 0.00 C ATOM 2628 C ASN B 66 10.974 8.022 -15.049 1.00 0.00 C ATOM 2629 O ASN B 66 11.354 8.660 -16.032 1.00 0.00 O ATOM 2630 CB ASN B 66 11.669 5.880 -16.147 1.00 0.00 C ATOM 2631 CG ASN B 66 13.121 5.511 -16.383 1.00 0.00 C ATOM 2632 OD1 ASN B 66 13.686 5.809 -17.435 1.00 0.00 O ATOM 2633 ND2 ASN B 66 13.733 4.858 -15.401 1.00 0.00 N ATOM 0 H ASN B 66 9.535 6.060 -14.176 1.00 0.00 H new ATOM 0 HA ASN B 66 12.411 6.640 -14.279 1.00 0.00 H new ATOM 0 HB2 ASN B 66 11.058 4.977 -16.173 1.00 0.00 H new ATOM 0 HB3 ASN B 66 11.324 6.522 -16.957 1.00 0.00 H new ATOM 0 HD21 ASN B 66 14.710 4.583 -15.503 1.00 0.00 H new ATOM 0 HD22 ASN B 66 13.226 4.631 -14.546 1.00 0.00 H new ATOM 2640 N SER B 67 10.136 8.519 -14.143 1.00 0.00 N ATOM 2641 CA SER B 67 9.604 9.871 -14.256 1.00 0.00 C ATOM 2642 C SER B 67 10.029 10.720 -13.064 1.00 0.00 C ATOM 2643 O SER B 67 10.287 10.197 -11.980 1.00 0.00 O ATOM 2644 CB SER B 67 8.078 9.838 -14.358 1.00 0.00 C ATOM 2645 OG SER B 67 7.609 10.774 -15.314 1.00 0.00 O ATOM 0 H SER B 67 9.812 8.005 -13.324 1.00 0.00 H new ATOM 0 HA SER B 67 10.009 10.320 -15.163 1.00 0.00 H new ATOM 0 HB2 SER B 67 7.751 8.836 -14.635 1.00 0.00 H new ATOM 0 HB3 SER B 67 7.641 10.058 -13.384 1.00 0.00 H new ATOM 0 HG SER B 67 6.631 10.732 -15.361 1.00 0.00 H new ATOM 2651 N ASP B 68 10.106 12.031 -13.272 1.00 0.00 N ATOM 2652 CA ASP B 68 10.507 12.955 -12.214 1.00 0.00 C ATOM 2653 C ASP B 68 11.995 12.807 -11.904 1.00 0.00 C ATOM 2654 O ASP B 68 12.768 13.753 -12.058 1.00 0.00 O ATOM 2655 CB ASP B 68 9.680 12.715 -10.948 1.00 0.00 C ATOM 2656 CG ASP B 68 9.076 13.995 -10.403 1.00 0.00 C ATOM 2657 OD1 ASP B 68 8.169 14.550 -11.059 1.00 0.00 O ATOM 2658 OD2 ASP B 68 9.510 14.443 -9.321 1.00 0.00 O ATOM 0 H ASP B 68 9.896 12.479 -14.164 1.00 0.00 H new ATOM 0 HA ASP B 68 10.324 13.971 -12.564 1.00 0.00 H new ATOM 0 HB2 ASP B 68 8.883 12.004 -11.167 1.00 0.00 H new ATOM 0 HB3 ASP B 68 10.312 12.260 -10.185 1.00 0.00 H new ATOM 2663 N GLY B 69 12.389 11.614 -11.471 1.00 0.00 N ATOM 2664 CA GLY B 69 13.782 11.363 -11.150 1.00 0.00 C ATOM 2665 C GLY B 69 13.988 10.970 -9.699 1.00 0.00 C ATOM 2666 O GLY B 69 15.105 11.040 -9.187 1.00 0.00 O ATOM 0 H GLY B 69 11.768 10.816 -11.337 1.00 0.00 H new ATOM 0 HA2 GLY B 69 14.162 10.570 -11.794 1.00 0.00 H new ATOM 0 HA3 GLY B 69 14.367 12.257 -11.366 1.00 0.00 H new ATOM 2670 N GLN B 70 12.913 10.553 -9.035 1.00 0.00 N ATOM 2671 CA GLN B 70 12.989 10.148 -7.639 1.00 0.00 C ATOM 2672 C GLN B 70 11.935 9.097 -7.311 1.00 0.00 C ATOM 2673 O GLN B 70 11.194 8.653 -8.188 1.00 0.00 O ATOM 2674 CB GLN B 70 12.814 11.364 -6.725 1.00 0.00 C ATOM 2675 CG GLN B 70 14.115 12.086 -6.414 1.00 0.00 C ATOM 2676 CD GLN B 70 14.886 11.428 -5.289 1.00 0.00 C ATOM 2677 OE1 GLN B 70 15.281 10.176 -5.495 1.00 0.00 O flip ATOM 2678 NE2 GLN B 70 15.125 12.037 -4.247 1.00 0.00 N flip ATOM 0 H GLN B 70 11.981 10.488 -9.443 1.00 0.00 H new ATOM 0 HA GLN B 70 13.972 9.709 -7.471 1.00 0.00 H new ATOM 0 HB2 GLN B 70 12.123 12.064 -7.195 1.00 0.00 H new ATOM 0 HB3 GLN B 70 12.355 11.042 -5.790 1.00 0.00 H new ATOM 0 HG2 GLN B 70 14.736 12.112 -7.310 1.00 0.00 H new ATOM 0 HG3 GLN B 70 13.898 13.120 -6.146 1.00 0.00 H new ATOM 0 HE21 GLN B 70 14.802 12.998 -4.132 1.00 0.00 H new ATOM 0 HE22 GLN B 70 15.646 11.581 -3.498 1.00 0.00 H new ATOM 2687 N LEU B 71 11.865 8.713 -6.040 1.00 0.00 N ATOM 2688 CA LEU B 71 10.899 7.730 -5.592 1.00 0.00 C ATOM 2689 C LEU B 71 9.489 8.308 -5.746 1.00 0.00 C ATOM 2690 O LEU B 71 9.223 9.027 -6.708 1.00 0.00 O ATOM 2691 CB LEU B 71 11.214 7.342 -4.136 1.00 0.00 C ATOM 2692 CG LEU B 71 11.961 6.014 -3.937 1.00 0.00 C ATOM 2693 CD1 LEU B 71 10.987 4.898 -3.593 1.00 0.00 C ATOM 2694 CD2 LEU B 71 12.784 5.651 -5.167 1.00 0.00 C ATOM 0 H LEU B 71 12.471 9.073 -5.303 1.00 0.00 H new ATOM 0 HA LEU B 71 10.955 6.824 -6.196 1.00 0.00 H new ATOM 0 HB2 LEU B 71 11.807 8.140 -3.689 1.00 0.00 H new ATOM 0 HB3 LEU B 71 10.276 7.294 -3.583 1.00 0.00 H new ATOM 0 HG LEU B 71 12.650 6.141 -3.102 1.00 0.00 H new ATOM 0 HD11 LEU B 71 11.535 3.966 -3.456 1.00 0.00 H new ATOM 0 HD12 LEU B 71 10.459 5.147 -2.673 1.00 0.00 H new ATOM 0 HD13 LEU B 71 10.268 4.780 -4.404 1.00 0.00 H new ATOM 0 HD21 LEU B 71 13.300 4.707 -4.994 1.00 0.00 H new ATOM 0 HD22 LEU B 71 12.125 5.552 -6.029 1.00 0.00 H new ATOM 0 HD23 LEU B 71 13.517 6.435 -5.359 1.00 0.00 H new ATOM 2706 N ASP B 72 8.593 8.020 -4.809 1.00 0.00 N ATOM 2707 CA ASP B 72 7.230 8.553 -4.881 1.00 0.00 C ATOM 2708 C ASP B 72 6.324 7.936 -3.821 1.00 0.00 C ATOM 2709 O ASP B 72 6.762 7.135 -2.996 1.00 0.00 O ATOM 2710 CB ASP B 72 6.617 8.357 -6.278 1.00 0.00 C ATOM 2711 CG ASP B 72 7.022 7.054 -6.939 1.00 0.00 C ATOM 2712 OD1 ASP B 72 8.053 7.041 -7.644 1.00 0.00 O ATOM 2713 OD2 ASP B 72 6.303 6.048 -6.760 1.00 0.00 O ATOM 0 H ASP B 72 8.778 7.429 -3.999 1.00 0.00 H new ATOM 0 HA ASP B 72 7.305 9.623 -4.685 1.00 0.00 H new ATOM 0 HB2 ASP B 72 5.531 8.392 -6.197 1.00 0.00 H new ATOM 0 HB3 ASP B 72 6.916 9.188 -6.917 1.00 0.00 H new ATOM 2718 N PHE B 73 5.059 8.343 -3.844 1.00 0.00 N ATOM 2719 CA PHE B 73 4.072 7.871 -2.881 1.00 0.00 C ATOM 2720 C PHE B 73 3.850 6.361 -2.958 1.00 0.00 C ATOM 2721 O PHE B 73 4.029 5.658 -1.963 1.00 0.00 O ATOM 2722 CB PHE B 73 2.748 8.604 -3.083 1.00 0.00 C ATOM 2723 CG PHE B 73 2.117 8.361 -4.425 1.00 0.00 C ATOM 2724 CD1 PHE B 73 2.524 9.080 -5.539 1.00 0.00 C ATOM 2725 CD2 PHE B 73 1.117 7.415 -4.572 1.00 0.00 C ATOM 2726 CE1 PHE B 73 1.945 8.856 -6.774 1.00 0.00 C ATOM 2727 CE2 PHE B 73 0.534 7.187 -5.805 1.00 0.00 C ATOM 2728 CZ PHE B 73 0.948 7.909 -6.906 1.00 0.00 C ATOM 0 H PHE B 73 4.691 9.006 -4.527 1.00 0.00 H new ATOM 0 HA PHE B 73 4.467 8.088 -1.888 1.00 0.00 H new ATOM 0 HB2 PHE B 73 2.051 8.296 -2.303 1.00 0.00 H new ATOM 0 HB3 PHE B 73 2.914 9.674 -2.959 1.00 0.00 H new ATOM 0 HD1 PHE B 73 3.302 9.823 -5.440 1.00 0.00 H new ATOM 0 HD2 PHE B 73 0.788 6.848 -3.713 1.00 0.00 H new ATOM 0 HE1 PHE B 73 2.272 9.421 -7.635 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -0.244 6.445 -5.906 1.00 0.00 H new ATOM 0 HZ PHE B 73 0.493 7.734 -7.870 1.00 0.00 H new ATOM 2738 N GLN B 74 3.451 5.856 -4.125 1.00 0.00 N ATOM 2739 CA GLN B 74 3.210 4.427 -4.266 1.00 0.00 C ATOM 2740 C GLN B 74 4.522 3.667 -4.325 1.00 0.00 C ATOM 2741 O GLN B 74 4.574 2.495 -3.971 1.00 0.00 O ATOM 2742 CB GLN B 74 2.369 4.107 -5.504 1.00 0.00 C ATOM 2743 CG GLN B 74 2.091 2.615 -5.681 1.00 0.00 C ATOM 2744 CD GLN B 74 1.608 1.944 -4.401 1.00 0.00 C ATOM 2745 OE1 GLN B 74 2.004 0.686 -4.190 1.00 0.00 O flip ATOM 2746 NE2 GLN B 74 0.885 2.550 -3.609 1.00 0.00 N flip ATOM 0 H GLN B 74 3.291 6.405 -4.969 1.00 0.00 H new ATOM 0 HA GLN B 74 2.648 4.109 -3.388 1.00 0.00 H new ATOM 0 HB2 GLN B 74 1.421 4.640 -5.437 1.00 0.00 H new ATOM 0 HB3 GLN B 74 2.883 4.481 -6.390 1.00 0.00 H new ATOM 0 HG2 GLN B 74 1.341 2.481 -6.461 1.00 0.00 H new ATOM 0 HG3 GLN B 74 2.999 2.120 -6.024 1.00 0.00 H new ATOM 0 HE21 GLN B 74 0.605 3.511 -3.807 1.00 0.00 H new ATOM 0 HE22 GLN B 74 0.567 2.091 -2.755 1.00 0.00 H new ATOM 2755 N GLU B 75 5.587 4.339 -4.760 1.00 0.00 N ATOM 2756 CA GLU B 75 6.897 3.703 -4.837 1.00 0.00 C ATOM 2757 C GLU B 75 7.156 2.914 -3.566 1.00 0.00 C ATOM 2758 O GLU B 75 7.732 1.831 -3.597 1.00 0.00 O ATOM 2759 CB GLU B 75 8.000 4.747 -5.022 1.00 0.00 C ATOM 2760 CG GLU B 75 8.801 4.584 -6.306 1.00 0.00 C ATOM 2761 CD GLU B 75 9.257 3.159 -6.547 1.00 0.00 C ATOM 2762 OE1 GLU B 75 8.460 2.360 -7.082 1.00 0.00 O ATOM 2763 OE2 GLU B 75 10.417 2.843 -6.206 1.00 0.00 O ATOM 0 H GLU B 75 5.568 5.313 -5.061 1.00 0.00 H new ATOM 0 HA GLU B 75 6.905 3.033 -5.697 1.00 0.00 H new ATOM 0 HB2 GLU B 75 7.551 5.740 -5.010 1.00 0.00 H new ATOM 0 HB3 GLU B 75 8.681 4.695 -4.173 1.00 0.00 H new ATOM 0 HG2 GLU B 75 8.194 4.912 -7.150 1.00 0.00 H new ATOM 0 HG3 GLU B 75 9.673 5.237 -6.268 1.00 0.00 H new ATOM 2770 N PHE B 76 6.710 3.474 -2.448 1.00 0.00 N ATOM 2771 CA PHE B 76 6.876 2.835 -1.156 1.00 0.00 C ATOM 2772 C PHE B 76 5.824 1.760 -0.945 1.00 0.00 C ATOM 2773 O PHE B 76 6.154 0.610 -0.673 1.00 0.00 O ATOM 2774 CB PHE B 76 6.798 3.871 -0.038 1.00 0.00 C ATOM 2775 CG PHE B 76 7.465 3.425 1.235 1.00 0.00 C ATOM 2776 CD1 PHE B 76 7.108 2.230 1.843 1.00 0.00 C ATOM 2777 CD2 PHE B 76 8.458 4.196 1.816 1.00 0.00 C ATOM 2778 CE1 PHE B 76 7.730 1.815 3.004 1.00 0.00 C ATOM 2779 CE2 PHE B 76 9.082 3.787 2.978 1.00 0.00 C ATOM 2780 CZ PHE B 76 8.718 2.594 3.574 1.00 0.00 C ATOM 0 H PHE B 76 6.229 4.373 -2.414 1.00 0.00 H new ATOM 0 HA PHE B 76 7.859 2.364 -1.134 1.00 0.00 H new ATOM 0 HB2 PHE B 76 7.262 4.797 -0.378 1.00 0.00 H new ATOM 0 HB3 PHE B 76 5.751 4.095 0.168 1.00 0.00 H new ATOM 0 HD1 PHE B 76 6.335 1.617 1.403 1.00 0.00 H new ATOM 0 HD2 PHE B 76 8.748 5.128 1.355 1.00 0.00 H new ATOM 0 HE1 PHE B 76 7.444 0.882 3.466 1.00 0.00 H new ATOM 0 HE2 PHE B 76 9.854 4.399 3.421 1.00 0.00 H new ATOM 0 HZ PHE B 76 9.205 2.272 4.483 1.00 0.00 H new ATOM 2790 N LEU B 77 4.555 2.127 -1.086 1.00 0.00 N ATOM 2791 CA LEU B 77 3.481 1.163 -0.917 1.00 0.00 C ATOM 2792 C LEU B 77 3.721 -0.035 -1.831 1.00 0.00 C ATOM 2793 O LEU B 77 3.424 -1.172 -1.475 1.00 0.00 O ATOM 2794 CB LEU B 77 2.126 1.816 -1.194 1.00 0.00 C ATOM 2795 CG LEU B 77 1.423 2.358 0.053 1.00 0.00 C ATOM 2796 CD1 LEU B 77 0.334 3.354 -0.318 1.00 0.00 C ATOM 2797 CD2 LEU B 77 0.853 1.213 0.866 1.00 0.00 C ATOM 0 H LEU B 77 4.250 3.073 -1.314 1.00 0.00 H new ATOM 0 HA LEU B 77 3.469 0.812 0.115 1.00 0.00 H new ATOM 0 HB2 LEU B 77 2.267 2.633 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU B 77 1.475 1.086 -1.676 1.00 0.00 H new ATOM 0 HG LEU B 77 2.158 2.887 0.660 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -0.147 3.721 0.588 1.00 0.00 H new ATOM 0 HD12 LEU B 77 0.775 4.191 -0.859 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -0.407 2.864 -0.949 1.00 0.00 H new ATOM 0 HD21 LEU B 77 0.355 1.608 1.751 1.00 0.00 H new ATOM 0 HD22 LEU B 77 0.134 0.660 0.261 1.00 0.00 H new ATOM 0 HD23 LEU B 77 1.660 0.546 1.171 1.00 0.00 H new ATOM 2809 N ASN B 78 4.303 0.235 -2.997 1.00 0.00 N ATOM 2810 CA ASN B 78 4.637 -0.811 -3.954 1.00 0.00 C ATOM 2811 C ASN B 78 5.891 -1.540 -3.484 1.00 0.00 C ATOM 2812 O ASN B 78 5.922 -2.768 -3.413 1.00 0.00 O ATOM 2813 CB ASN B 78 4.846 -0.216 -5.359 1.00 0.00 C ATOM 2814 CG ASN B 78 6.010 -0.836 -6.110 1.00 0.00 C ATOM 2815 OD1 ASN B 78 6.987 -0.012 -6.468 1.00 0.00 O flip ATOM 2816 ND2 ASN B 78 6.031 -2.041 -6.365 1.00 0.00 N flip ATOM 0 H ASN B 78 4.553 1.176 -3.301 1.00 0.00 H new ATOM 0 HA ASN B 78 3.812 -1.520 -4.014 1.00 0.00 H new ATOM 0 HB2 ASN B 78 3.935 -0.351 -5.942 1.00 0.00 H new ATOM 0 HB3 ASN B 78 5.012 0.858 -5.270 1.00 0.00 H new ATOM 0 HD21 ASN B 78 5.258 -2.638 -6.071 1.00 0.00 H new ATOM 0 HD22 ASN B 78 6.821 -2.442 -6.870 1.00 0.00 H new ATOM 2823 N LEU B 79 6.924 -0.764 -3.154 1.00 0.00 N ATOM 2824 CA LEU B 79 8.180 -1.328 -2.680 1.00 0.00 C ATOM 2825 C LEU B 79 7.934 -2.173 -1.436 1.00 0.00 C ATOM 2826 O LEU B 79 8.244 -3.362 -1.411 1.00 0.00 O ATOM 2827 CB LEU B 79 9.187 -0.214 -2.354 1.00 0.00 C ATOM 2828 CG LEU B 79 10.223 0.096 -3.445 1.00 0.00 C ATOM 2829 CD1 LEU B 79 9.566 0.271 -4.799 1.00 0.00 C ATOM 2830 CD2 LEU B 79 11.015 1.344 -3.090 1.00 0.00 C ATOM 0 H LEU B 79 6.912 0.255 -3.207 1.00 0.00 H new ATOM 0 HA LEU B 79 8.594 -1.955 -3.470 1.00 0.00 H new ATOM 0 HB2 LEU B 79 8.632 0.699 -2.138 1.00 0.00 H new ATOM 0 HB3 LEU B 79 9.719 -0.487 -1.443 1.00 0.00 H new ATOM 0 HG LEU B 79 10.902 -0.754 -3.503 1.00 0.00 H new ATOM 0 HD11 LEU B 79 10.328 0.489 -5.548 1.00 0.00 H new ATOM 0 HD12 LEU B 79 9.042 -0.646 -5.071 1.00 0.00 H new ATOM 0 HD13 LEU B 79 8.855 1.096 -4.754 1.00 0.00 H new ATOM 0 HD21 LEU B 79 11.744 1.548 -3.874 1.00 0.00 H new ATOM 0 HD22 LEU B 79 10.336 2.192 -2.997 1.00 0.00 H new ATOM 0 HD23 LEU B 79 11.534 1.189 -2.144 1.00 0.00 H new ATOM 2842 N ILE B 80 7.361 -1.545 -0.413 1.00 0.00 N ATOM 2843 CA ILE B 80 7.058 -2.225 0.835 1.00 0.00 C ATOM 2844 C ILE B 80 5.906 -3.208 0.658 1.00 0.00 C ATOM 2845 O ILE B 80 5.990 -4.356 1.096 1.00 0.00 O ATOM 2846 CB ILE B 80 6.750 -1.227 1.975 1.00 0.00 C ATOM 2847 CG1 ILE B 80 7.094 -1.857 3.318 1.00 0.00 C ATOM 2848 CG2 ILE B 80 5.296 -0.796 1.962 1.00 0.00 C ATOM 2849 CD1 ILE B 80 6.006 -2.767 3.841 1.00 0.00 C ATOM 0 H ILE B 80 7.097 -0.560 -0.428 1.00 0.00 H new ATOM 0 HA ILE B 80 7.949 -2.785 1.119 1.00 0.00 H new ATOM 0 HB ILE B 80 7.362 -0.338 1.819 1.00 0.00 H new ATOM 0 HG12 ILE B 80 8.019 -2.425 3.220 1.00 0.00 H new ATOM 0 HG13 ILE B 80 7.281 -1.068 4.046 1.00 0.00 H new ATOM 0 HG21 ILE B 80 5.117 -0.095 2.777 1.00 0.00 H new ATOM 0 HG22 ILE B 80 5.068 -0.313 1.012 1.00 0.00 H new ATOM 0 HG23 ILE B 80 4.656 -1.670 2.088 1.00 0.00 H new ATOM 0 HD11 ILE B 80 6.311 -3.185 4.800 1.00 0.00 H new ATOM 0 HD12 ILE B 80 5.086 -2.197 3.969 1.00 0.00 H new ATOM 0 HD13 ILE B 80 5.836 -3.576 3.131 1.00 0.00 H new ATOM 2861 N GLY B 81 4.836 -2.767 -0.007 1.00 0.00 N ATOM 2862 CA GLY B 81 3.708 -3.651 -0.241 1.00 0.00 C ATOM 2863 C GLY B 81 4.169 -4.935 -0.885 1.00 0.00 C ATOM 2864 O GLY B 81 3.855 -6.028 -0.413 1.00 0.00 O ATOM 0 H GLY B 81 4.733 -1.824 -0.383 1.00 0.00 H new ATOM 0 HA2 GLY B 81 3.208 -3.869 0.702 1.00 0.00 H new ATOM 0 HA3 GLY B 81 2.978 -3.157 -0.882 1.00 0.00 H new ATOM 2868 N GLY B 82 4.949 -4.799 -1.956 1.00 0.00 N ATOM 2869 CA GLY B 82 5.480 -5.971 -2.632 1.00 0.00 C ATOM 2870 C GLY B 82 6.169 -6.915 -1.661 1.00 0.00 C ATOM 2871 O GLY B 82 6.093 -8.134 -1.814 1.00 0.00 O ATOM 0 H GLY B 82 5.221 -3.905 -2.365 1.00 0.00 H new ATOM 0 HA2 GLY B 82 4.671 -6.497 -3.139 1.00 0.00 H new ATOM 0 HA3 GLY B 82 6.187 -5.659 -3.400 1.00 0.00 H new ATOM 2875 N LEU B 83 6.828 -6.355 -0.644 1.00 0.00 N ATOM 2876 CA LEU B 83 7.500 -7.173 0.362 1.00 0.00 C ATOM 2877 C LEU B 83 6.485 -8.042 1.089 1.00 0.00 C ATOM 2878 O LEU B 83 6.699 -9.237 1.286 1.00 0.00 O ATOM 2879 CB LEU B 83 8.229 -6.300 1.382 1.00 0.00 C ATOM 2880 CG LEU B 83 8.972 -5.108 0.798 1.00 0.00 C ATOM 2881 CD1 LEU B 83 9.701 -4.351 1.895 1.00 0.00 C ATOM 2882 CD2 LEU B 83 9.938 -5.563 -0.284 1.00 0.00 C ATOM 0 H LEU B 83 6.909 -5.349 -0.498 1.00 0.00 H new ATOM 0 HA LEU B 83 8.229 -7.801 -0.150 1.00 0.00 H new ATOM 0 HB2 LEU B 83 7.504 -5.935 2.109 1.00 0.00 H new ATOM 0 HB3 LEU B 83 8.941 -6.921 1.926 1.00 0.00 H new ATOM 0 HG LEU B 83 8.248 -4.433 0.343 1.00 0.00 H new ATOM 0 HD11 LEU B 83 10.228 -3.501 1.462 1.00 0.00 H new ATOM 0 HD12 LEU B 83 8.981 -3.995 2.632 1.00 0.00 H new ATOM 0 HD13 LEU B 83 10.418 -5.014 2.380 1.00 0.00 H new ATOM 0 HD21 LEU B 83 10.462 -4.698 -0.691 1.00 0.00 H new ATOM 0 HD22 LEU B 83 10.662 -6.257 0.143 1.00 0.00 H new ATOM 0 HD23 LEU B 83 9.384 -6.060 -1.080 1.00 0.00 H new ATOM 2894 N ALA B 84 5.374 -7.424 1.483 1.00 0.00 N ATOM 2895 CA ALA B 84 4.315 -8.137 2.186 1.00 0.00 C ATOM 2896 C ALA B 84 3.845 -9.339 1.387 1.00 0.00 C ATOM 2897 O ALA B 84 3.430 -10.351 1.946 1.00 0.00 O ATOM 2898 CB ALA B 84 3.138 -7.210 2.434 1.00 0.00 C ATOM 0 H ALA B 84 5.186 -6.434 1.327 1.00 0.00 H new ATOM 0 HA ALA B 84 4.718 -8.483 3.138 1.00 0.00 H new ATOM 0 HB1 ALA B 84 2.352 -7.752 2.960 1.00 0.00 H new ATOM 0 HB2 ALA B 84 3.463 -6.364 3.040 1.00 0.00 H new ATOM 0 HB3 ALA B 84 2.753 -6.847 1.481 1.00 0.00 H new ATOM 2904 N VAL B 85 3.908 -9.211 0.074 1.00 0.00 N ATOM 2905 CA VAL B 85 3.483 -10.279 -0.818 1.00 0.00 C ATOM 2906 C VAL B 85 4.597 -11.282 -1.060 1.00 0.00 C ATOM 2907 O VAL B 85 4.353 -12.400 -1.515 1.00 0.00 O ATOM 2908 CB VAL B 85 2.957 -9.752 -2.175 1.00 0.00 C ATOM 2909 CG1 VAL B 85 1.529 -10.208 -2.372 1.00 0.00 C ATOM 2910 CG2 VAL B 85 3.034 -8.232 -2.272 1.00 0.00 C ATOM 0 H VAL B 85 4.250 -8.376 -0.401 1.00 0.00 H new ATOM 0 HA VAL B 85 2.658 -10.777 -0.309 1.00 0.00 H new ATOM 0 HB VAL B 85 3.594 -10.160 -2.960 1.00 0.00 H new ATOM 0 HG11 VAL B 85 1.157 -9.838 -3.327 1.00 0.00 H new ATOM 0 HG12 VAL B 85 1.491 -11.297 -2.366 1.00 0.00 H new ATOM 0 HG13 VAL B 85 0.908 -9.818 -1.565 1.00 0.00 H new ATOM 0 HG21 VAL B 85 2.654 -7.910 -3.241 1.00 0.00 H new ATOM 0 HG22 VAL B 85 2.433 -7.786 -1.480 1.00 0.00 H new ATOM 0 HG23 VAL B 85 4.071 -7.913 -2.164 1.00 0.00 H new ATOM 2920 N ALA B 86 5.816 -10.877 -0.759 1.00 0.00 N ATOM 2921 CA ALA B 86 6.968 -11.735 -0.945 1.00 0.00 C ATOM 2922 C ALA B 86 7.617 -12.090 0.388 1.00 0.00 C ATOM 2923 O ALA B 86 8.736 -12.602 0.426 1.00 0.00 O ATOM 2924 CB ALA B 86 7.955 -11.038 -1.852 1.00 0.00 C ATOM 0 H ALA B 86 6.033 -9.954 -0.383 1.00 0.00 H new ATOM 0 HA ALA B 86 6.645 -12.670 -1.403 1.00 0.00 H new ATOM 0 HB1 ALA B 86 8.827 -11.675 -1.999 1.00 0.00 H new ATOM 0 HB2 ALA B 86 7.485 -10.838 -2.815 1.00 0.00 H new ATOM 0 HB3 ALA B 86 8.266 -10.097 -1.397 1.00 0.00 H new ATOM 2930 N CYS B 87 6.913 -11.810 1.480 1.00 0.00 N ATOM 2931 CA CYS B 87 7.432 -12.096 2.811 1.00 0.00 C ATOM 2932 C CYS B 87 6.309 -12.213 3.840 1.00 0.00 C ATOM 2933 O CYS B 87 6.362 -13.065 4.728 1.00 0.00 O ATOM 2934 CB CYS B 87 8.412 -11.001 3.236 1.00 0.00 C ATOM 2935 SG CYS B 87 9.886 -11.618 4.081 1.00 0.00 S ATOM 0 H CYS B 87 5.985 -11.387 1.469 1.00 0.00 H new ATOM 0 HA CYS B 87 7.949 -13.055 2.768 1.00 0.00 H new ATOM 0 HB2 CYS B 87 8.720 -10.441 2.353 1.00 0.00 H new ATOM 0 HB3 CYS B 87 7.896 -10.301 3.893 1.00 0.00 H new ATOM 0 HG CYS B 87 10.224 -10.790 5.025 1.00 0.00 H new ATOM 2941 N HIS B 88 5.302 -11.350 3.731 1.00 0.00 N ATOM 2942 CA HIS B 88 4.187 -11.365 4.672 1.00 0.00 C ATOM 2943 C HIS B 88 2.914 -11.921 4.035 1.00 0.00 C ATOM 2944 O HIS B 88 1.933 -11.198 3.855 1.00 0.00 O ATOM 2945 CB HIS B 88 3.933 -9.954 5.205 1.00 0.00 C ATOM 2946 CG HIS B 88 3.463 -9.924 6.627 1.00 0.00 C ATOM 2947 ND1 HIS B 88 2.694 -10.923 7.187 1.00 0.00 N ATOM 2948 CD2 HIS B 88 3.659 -9.010 7.606 1.00 0.00 C ATOM 2949 CE1 HIS B 88 2.438 -10.623 8.448 1.00 0.00 C ATOM 2950 NE2 HIS B 88 3.013 -9.468 8.727 1.00 0.00 N ATOM 0 H HIS B 88 5.236 -10.636 3.005 1.00 0.00 H new ATOM 0 HA HIS B 88 4.459 -12.023 5.497 1.00 0.00 H new ATOM 0 HB2 HIS B 88 4.852 -9.373 5.123 1.00 0.00 H new ATOM 0 HB3 HIS B 88 3.189 -9.465 4.575 1.00 0.00 H new ATOM 0 HD1 HIS B 88 2.373 -11.762 6.703 1.00 0.00 H new ATOM 0 HD2 HIS B 88 4.220 -8.091 7.521 1.00 0.00 H new ATOM 0 HE1 HIS B 88 1.857 -11.221 9.134 1.00 0.00 H new ATOM 2959 N GLU B 89 2.930 -13.209 3.707 1.00 0.00 N ATOM 2960 CA GLU B 89 1.769 -13.860 3.104 1.00 0.00 C ATOM 2961 C GLU B 89 1.324 -13.138 1.831 1.00 0.00 C ATOM 2962 O GLU B 89 2.038 -12.280 1.313 1.00 0.00 O ATOM 2963 CB GLU B 89 0.617 -13.905 4.114 1.00 0.00 C ATOM 2964 CG GLU B 89 0.480 -15.245 4.820 1.00 0.00 C ATOM 2965 CD GLU B 89 0.889 -15.179 6.279 1.00 0.00 C ATOM 2966 OE1 GLU B 89 1.855 -14.452 6.593 1.00 0.00 O ATOM 2967 OE2 GLU B 89 0.244 -15.857 7.106 1.00 0.00 O ATOM 0 H GLU B 89 3.732 -13.823 3.848 1.00 0.00 H new ATOM 0 HA GLU B 89 2.053 -14.876 2.830 1.00 0.00 H new ATOM 0 HB2 GLU B 89 0.768 -13.124 4.860 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -0.316 -13.678 3.599 1.00 0.00 H new ATOM 0 HG2 GLU B 89 -0.554 -15.584 4.751 1.00 0.00 H new ATOM 0 HG3 GLU B 89 1.093 -15.986 4.308 1.00 0.00 H new ATOM 2974 N SER B 90 0.138 -13.494 1.336 1.00 0.00 N ATOM 2975 CA SER B 90 -0.417 -12.886 0.125 1.00 0.00 C ATOM 2976 C SER B 90 0.258 -13.425 -1.136 1.00 0.00 C ATOM 2977 O SER B 90 -0.017 -12.956 -2.241 1.00 0.00 O ATOM 2978 CB SER B 90 -0.289 -11.360 0.173 1.00 0.00 C ATOM 2979 OG SER B 90 -0.731 -10.846 1.418 1.00 0.00 O ATOM 0 H SER B 90 -0.460 -14.204 1.758 1.00 0.00 H new ATOM 0 HA SER B 90 -1.473 -13.153 0.086 1.00 0.00 H new ATOM 0 HB2 SER B 90 0.750 -11.074 0.007 1.00 0.00 H new ATOM 0 HB3 SER B 90 -0.874 -10.918 -0.634 1.00 0.00 H new ATOM 0 HG SER B 90 0.038 -10.721 2.012 1.00 0.00 H new ATOM 2985 N PHE B 91 1.137 -14.413 -0.970 1.00 0.00 N ATOM 2986 CA PHE B 91 1.841 -15.013 -2.102 1.00 0.00 C ATOM 2987 C PHE B 91 2.948 -15.943 -1.619 1.00 0.00 C ATOM 2988 O PHE B 91 3.025 -17.100 -2.031 1.00 0.00 O ATOM 2989 CB PHE B 91 2.429 -13.928 -3.011 1.00 0.00 C ATOM 2990 CG PHE B 91 1.868 -13.948 -4.406 1.00 0.00 C ATOM 2991 CD1 PHE B 91 2.146 -15.000 -5.263 1.00 0.00 C ATOM 2992 CD2 PHE B 91 1.063 -12.914 -4.856 1.00 0.00 C ATOM 2993 CE1 PHE B 91 1.630 -15.021 -6.545 1.00 0.00 C ATOM 2994 CE2 PHE B 91 0.545 -12.930 -6.138 1.00 0.00 C ATOM 2995 CZ PHE B 91 0.829 -13.985 -6.983 1.00 0.00 C ATOM 0 H PHE B 91 1.378 -14.814 -0.064 1.00 0.00 H new ATOM 0 HA PHE B 91 1.120 -15.597 -2.674 1.00 0.00 H new ATOM 0 HB2 PHE B 91 2.241 -12.951 -2.566 1.00 0.00 H new ATOM 0 HB3 PHE B 91 3.511 -14.053 -3.061 1.00 0.00 H new ATOM 0 HD1 PHE B 91 2.773 -15.812 -4.926 1.00 0.00 H new ATOM 0 HD2 PHE B 91 0.838 -12.087 -4.199 1.00 0.00 H new ATOM 0 HE1 PHE B 91 1.853 -15.847 -7.204 1.00 0.00 H new ATOM 0 HE2 PHE B 91 -0.081 -12.118 -6.478 1.00 0.00 H new ATOM 0 HZ PHE B 91 0.425 -14.000 -7.985 1.00 0.00 H new ATOM 3005 N VAL B 92 3.804 -15.430 -0.742 1.00 0.00 N ATOM 3006 CA VAL B 92 4.907 -16.213 -0.201 1.00 0.00 C ATOM 3007 C VAL B 92 4.396 -17.455 0.525 1.00 0.00 C ATOM 3008 O VAL B 92 5.089 -18.470 0.605 1.00 0.00 O ATOM 3009 CB VAL B 92 5.767 -15.375 0.768 1.00 0.00 C ATOM 3010 CG1 VAL B 92 4.936 -14.905 1.955 1.00 0.00 C ATOM 3011 CG2 VAL B 92 6.982 -16.166 1.234 1.00 0.00 C ATOM 0 H VAL B 92 3.754 -14.474 -0.391 1.00 0.00 H new ATOM 0 HA VAL B 92 5.523 -16.521 -1.046 1.00 0.00 H new ATOM 0 HB VAL B 92 6.123 -14.494 0.234 1.00 0.00 H new ATOM 0 HG11 VAL B 92 5.561 -14.316 2.626 1.00 0.00 H new ATOM 0 HG12 VAL B 92 4.108 -14.292 1.599 1.00 0.00 H new ATOM 0 HG13 VAL B 92 4.544 -15.770 2.490 1.00 0.00 H new ATOM 0 HG21 VAL B 92 7.574 -15.556 1.916 1.00 0.00 H new ATOM 0 HG22 VAL B 92 6.653 -17.069 1.748 1.00 0.00 H new ATOM 0 HG23 VAL B 92 7.590 -16.440 0.372 1.00 0.00 H new ATOM 3021 N LYS B 93 3.179 -17.367 1.049 1.00 0.00 N ATOM 3022 CA LYS B 93 2.572 -18.482 1.766 1.00 0.00 C ATOM 3023 C LYS B 93 2.430 -19.700 0.859 1.00 0.00 C ATOM 3024 O LYS B 93 3.080 -20.723 1.072 1.00 0.00 O ATOM 3025 CB LYS B 93 1.203 -18.078 2.315 1.00 0.00 C ATOM 3026 CG LYS B 93 0.720 -18.963 3.453 1.00 0.00 C ATOM 3027 CD LYS B 93 -0.639 -18.516 3.965 1.00 0.00 C ATOM 3028 CE LYS B 93 -1.738 -18.801 2.953 1.00 0.00 C ATOM 3029 NZ LYS B 93 -2.726 -17.689 2.877 1.00 0.00 N ATOM 0 H LYS B 93 2.593 -16.534 0.991 1.00 0.00 H new ATOM 0 HA LYS B 93 3.226 -18.745 2.597 1.00 0.00 H new ATOM 0 HB2 LYS B 93 1.250 -17.046 2.663 1.00 0.00 H new ATOM 0 HB3 LYS B 93 0.473 -18.109 1.506 1.00 0.00 H new ATOM 0 HG2 LYS B 93 0.660 -19.996 3.112 1.00 0.00 H new ATOM 0 HG3 LYS B 93 1.444 -18.938 4.268 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -0.863 -19.028 4.901 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -0.613 -17.449 4.184 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -1.294 -18.960 1.970 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -2.251 -19.724 3.224 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -3.458 -17.922 2.176 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -3.169 -17.554 3.808 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -2.242 -16.813 2.593 1.00 0.00 H new ATOM 3043 N ALA B 94 1.576 -19.582 -0.151 1.00 0.00 N ATOM 3044 CA ALA B 94 1.348 -20.673 -1.091 1.00 0.00 C ATOM 3045 C ALA B 94 2.591 -20.942 -1.932 1.00 0.00 C ATOM 3046 O ALA B 94 3.166 -22.029 -1.881 1.00 0.00 O ATOM 3047 CB ALA B 94 0.159 -20.359 -1.986 1.00 0.00 C ATOM 0 H ALA B 94 1.030 -18.742 -0.340 1.00 0.00 H new ATOM 0 HA ALA B 94 1.128 -21.574 -0.518 1.00 0.00 H new ATOM 0 HB1 ALA B 94 0.001 -21.182 -2.683 1.00 0.00 H new ATOM 0 HB2 ALA B 94 -0.732 -20.226 -1.373 1.00 0.00 H new ATOM 0 HB3 ALA B 94 0.356 -19.444 -2.544 1.00 0.00 H new ATOM 3053 N ALA B 95 3.001 -19.942 -2.706 1.00 0.00 N ATOM 3054 CA ALA B 95 4.177 -20.066 -3.559 1.00 0.00 C ATOM 3055 C ALA B 95 4.077 -21.279 -4.484 1.00 0.00 C ATOM 3056 O ALA B 95 5.003 -22.088 -4.554 1.00 0.00 O ATOM 3057 CB ALA B 95 5.433 -20.154 -2.705 1.00 0.00 C ATOM 0 H ALA B 95 2.535 -19.036 -2.760 1.00 0.00 H new ATOM 0 HA ALA B 95 4.231 -19.177 -4.187 1.00 0.00 H new ATOM 0 HB1 ALA B 95 6.306 -20.246 -3.351 1.00 0.00 H new ATOM 0 HB2 ALA B 95 5.524 -19.253 -2.098 1.00 0.00 H new ATOM 0 HB3 ALA B 95 5.370 -21.026 -2.053 1.00 0.00 H new ATOM 3063 N PRO B 96 2.958 -21.427 -5.221 1.00 0.00 N ATOM 3064 CA PRO B 96 2.779 -22.551 -6.143 1.00 0.00 C ATOM 3065 C PRO B 96 3.892 -22.604 -7.187 1.00 0.00 C ATOM 3066 O PRO B 96 4.513 -23.649 -7.386 1.00 0.00 O ATOM 3067 CB PRO B 96 1.421 -22.273 -6.798 1.00 0.00 C ATOM 3068 CG PRO B 96 0.719 -21.372 -5.846 1.00 0.00 C ATOM 3069 CD PRO B 96 1.793 -20.523 -5.233 1.00 0.00 C ATOM 0 HA PRO B 96 2.816 -23.515 -5.635 1.00 0.00 H new ATOM 0 HB2 PRO B 96 1.541 -21.802 -7.774 1.00 0.00 H new ATOM 0 HB3 PRO B 96 0.862 -23.195 -6.956 1.00 0.00 H new ATOM 0 HG2 PRO B 96 -0.021 -20.758 -6.359 1.00 0.00 H new ATOM 0 HG3 PRO B 96 0.187 -21.943 -5.085 1.00 0.00 H new ATOM 0 HD2 PRO B 96 1.984 -19.625 -5.821 1.00 0.00 H new ATOM 0 HD3 PRO B 96 1.525 -20.195 -4.229 1.00 0.00 H new ATOM 3077 N PRO B 97 4.180 -21.471 -7.857 1.00 0.00 N ATOM 3078 CA PRO B 97 5.235 -21.399 -8.858 1.00 0.00 C ATOM 3079 C PRO B 97 6.587 -21.070 -8.230 1.00 0.00 C ATOM 3080 O PRO B 97 7.574 -21.773 -8.453 1.00 0.00 O ATOM 3081 CB PRO B 97 4.764 -20.265 -9.763 1.00 0.00 C ATOM 3082 CG PRO B 97 3.979 -19.352 -8.875 1.00 0.00 C ATOM 3083 CD PRO B 97 3.515 -20.165 -7.685 1.00 0.00 C ATOM 0 HA PRO B 97 5.388 -22.342 -9.382 1.00 0.00 H new ATOM 0 HB2 PRO B 97 5.609 -19.745 -10.214 1.00 0.00 H new ATOM 0 HB3 PRO B 97 4.150 -20.643 -10.580 1.00 0.00 H new ATOM 0 HG2 PRO B 97 4.593 -18.512 -8.550 1.00 0.00 H new ATOM 0 HG3 PRO B 97 3.126 -18.935 -9.411 1.00 0.00 H new ATOM 0 HD2 PRO B 97 3.801 -19.693 -6.745 1.00 0.00 H new ATOM 0 HD3 PRO B 97 2.430 -20.269 -7.673 1.00 0.00 H new ATOM 3091 N GLN B 98 6.617 -20.001 -7.432 1.00 0.00 N ATOM 3092 CA GLN B 98 7.832 -19.565 -6.747 1.00 0.00 C ATOM 3093 C GLN B 98 9.063 -19.690 -7.642 1.00 0.00 C ATOM 3094 O GLN B 98 9.706 -20.739 -7.691 1.00 0.00 O ATOM 3095 CB GLN B 98 8.024 -20.372 -5.461 1.00 0.00 C ATOM 3096 CG GLN B 98 7.904 -21.874 -5.659 1.00 0.00 C ATOM 3097 CD GLN B 98 8.293 -22.658 -4.421 1.00 0.00 C ATOM 3098 OE1 GLN B 98 7.492 -23.419 -3.878 1.00 0.00 O ATOM 3099 NE2 GLN B 98 9.527 -22.474 -3.967 1.00 0.00 N ATOM 0 H GLN B 98 5.803 -19.416 -7.244 1.00 0.00 H new ATOM 0 HA GLN B 98 7.716 -18.510 -6.498 1.00 0.00 H new ATOM 0 HB2 GLN B 98 9.006 -20.147 -5.044 1.00 0.00 H new ATOM 0 HB3 GLN B 98 7.285 -20.051 -4.727 1.00 0.00 H new ATOM 0 HG2 GLN B 98 6.878 -22.120 -5.933 1.00 0.00 H new ATOM 0 HG3 GLN B 98 8.538 -22.179 -6.492 1.00 0.00 H new ATOM 0 HE21 GLN B 98 10.157 -21.833 -4.449 1.00 0.00 H new ATOM 0 HE22 GLN B 98 9.845 -22.973 -3.136 1.00 0.00 H new ATOM 3108 N LYS B 99 9.386 -18.611 -8.347 1.00 0.00 N ATOM 3109 CA LYS B 99 10.540 -18.595 -9.239 1.00 0.00 C ATOM 3110 C LYS B 99 11.666 -17.749 -8.655 1.00 0.00 C ATOM 3111 O LYS B 99 11.523 -16.538 -8.487 1.00 0.00 O ATOM 3112 CB LYS B 99 10.140 -18.057 -10.615 1.00 0.00 C ATOM 3113 CG LYS B 99 9.836 -19.148 -11.630 1.00 0.00 C ATOM 3114 CD LYS B 99 10.575 -18.916 -12.939 1.00 0.00 C ATOM 3115 CE LYS B 99 9.769 -18.044 -13.888 1.00 0.00 C ATOM 3116 NZ LYS B 99 9.903 -16.597 -13.563 1.00 0.00 N ATOM 0 H LYS B 99 8.864 -17.735 -8.318 1.00 0.00 H new ATOM 0 HA LYS B 99 10.899 -19.618 -9.348 1.00 0.00 H new ATOM 0 HB2 LYS B 99 9.263 -17.419 -10.506 1.00 0.00 H new ATOM 0 HB3 LYS B 99 10.944 -17.429 -10.998 1.00 0.00 H new ATOM 0 HG2 LYS B 99 10.118 -20.117 -11.219 1.00 0.00 H new ATOM 0 HG3 LYS B 99 8.763 -19.182 -11.818 1.00 0.00 H new ATOM 0 HD2 LYS B 99 11.536 -18.443 -12.736 1.00 0.00 H new ATOM 0 HD3 LYS B 99 10.785 -19.874 -13.414 1.00 0.00 H new ATOM 0 HE2 LYS B 99 10.101 -18.218 -14.911 1.00 0.00 H new ATOM 0 HE3 LYS B 99 8.718 -18.331 -13.841 1.00 0.00 H new ATOM 0 HZ1 LYS B 99 9.422 -16.032 -14.292 1.00 0.00 H new ATOM 0 HZ2 LYS B 99 9.470 -16.408 -12.637 1.00 0.00 H new ATOM 0 HZ3 LYS B 99 10.910 -16.340 -13.533 1.00 0.00 H new ATOM 3130 N ARG B 100 12.786 -18.394 -8.346 1.00 0.00 N ATOM 3131 CA ARG B 100 13.938 -17.700 -7.779 1.00 0.00 C ATOM 3132 C ARG B 100 14.904 -17.267 -8.877 1.00 0.00 C ATOM 3133 O ARG B 100 15.132 -16.075 -9.081 1.00 0.00 O ATOM 3134 CB ARG B 100 14.662 -18.599 -6.774 1.00 0.00 C ATOM 3135 CG ARG B 100 13.725 -19.411 -5.892 1.00 0.00 C ATOM 3136 CD ARG B 100 14.060 -19.249 -4.418 1.00 0.00 C ATOM 3137 NE ARG B 100 13.513 -20.336 -3.610 1.00 0.00 N ATOM 3138 CZ ARG B 100 13.937 -20.636 -2.384 1.00 0.00 C ATOM 3139 NH1 ARG B 100 14.910 -19.931 -1.820 1.00 0.00 N ATOM 3140 NH2 ARG B 100 13.385 -21.642 -1.720 1.00 0.00 N ATOM 0 H ARG B 100 12.921 -19.396 -8.478 1.00 0.00 H new ATOM 0 HA ARG B 100 13.576 -16.811 -7.263 1.00 0.00 H new ATOM 0 HB2 ARG B 100 15.317 -19.281 -7.316 1.00 0.00 H new ATOM 0 HB3 ARG B 100 15.298 -17.981 -6.140 1.00 0.00 H new ATOM 0 HG2 ARG B 100 12.696 -19.097 -6.068 1.00 0.00 H new ATOM 0 HG3 ARG B 100 13.788 -20.464 -6.166 1.00 0.00 H new ATOM 0 HD2 ARG B 100 15.142 -19.214 -4.294 1.00 0.00 H new ATOM 0 HD3 ARG B 100 13.667 -18.298 -4.059 1.00 0.00 H new ATOM 0 HE ARG B 100 12.761 -20.899 -4.009 1.00 0.00 H new ATOM 0 HH11 ARG B 100 15.337 -19.155 -2.326 1.00 0.00 H new ATOM 0 HH12 ARG B 100 15.231 -20.165 -0.881 1.00 0.00 H new ATOM 0 HH21 ARG B 100 12.636 -22.186 -2.148 1.00 0.00 H new ATOM 0 HH22 ARG B 100 13.709 -21.872 -0.781 1.00 0.00 H new ATOM 3153 N PHE B 101 15.470 -18.244 -9.577 1.00 0.00 N ATOM 3154 CA PHE B 101 16.415 -17.964 -10.653 1.00 0.00 C ATOM 3155 C PHE B 101 15.998 -18.670 -11.940 1.00 0.00 C ATOM 3156 O PHE B 101 16.522 -18.302 -13.012 1.00 0.00 O ATOM 3157 CB PHE B 101 17.824 -18.401 -10.246 1.00 0.00 C ATOM 3158 CG PHE B 101 18.830 -17.285 -10.277 1.00 0.00 C ATOM 3159 CD1 PHE B 101 18.526 -16.046 -9.737 1.00 0.00 C ATOM 3160 CD2 PHE B 101 20.079 -17.476 -10.844 1.00 0.00 C ATOM 3161 CE1 PHE B 101 19.449 -15.017 -9.763 1.00 0.00 C ATOM 3162 CE2 PHE B 101 21.007 -16.451 -10.873 1.00 0.00 C ATOM 3163 CZ PHE B 101 20.691 -15.220 -10.332 1.00 0.00 C ATOM 3164 OXT PHE B 101 15.152 -19.586 -11.864 1.00 0.00 O ATOM 0 H PHE B 101 15.292 -19.236 -9.419 1.00 0.00 H new ATOM 0 HA PHE B 101 16.415 -16.889 -10.836 1.00 0.00 H new ATOM 0 HB2 PHE B 101 17.789 -18.821 -9.241 1.00 0.00 H new ATOM 0 HB3 PHE B 101 18.156 -19.197 -10.912 1.00 0.00 H new ATOM 0 HD1 PHE B 101 17.556 -15.882 -9.290 1.00 0.00 H new ATOM 0 HD2 PHE B 101 20.331 -18.437 -11.268 1.00 0.00 H new ATOM 0 HE1 PHE B 101 19.199 -14.056 -9.339 1.00 0.00 H new ATOM 0 HE2 PHE B 101 21.978 -16.613 -11.318 1.00 0.00 H new ATOM 0 HZ PHE B 101 21.414 -14.418 -10.354 1.00 0.00 H new TER 3174 PHE B 101