USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1070 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 GLN :FLIP amide:sc= 0.135 F(o=-2.7,f=-0.33) USER MOD Set 1.2: A 89 GLN :FLIP amide:sc= -0.463 X(o=-0.55,f=-0.33) USER MOD Set 2.1: A 67 ASN :FLIP amide:sc= 0.111 F(o=-4.8,f=0.023) USER MOD Set 2.2: A 80 HIS : no HE2:sc= -0.0876! C(o=0.023!,f=-13!) USER MOD Set 3.1: A 9 SER OG : rot 180:sc= -0.586 USER MOD Set 3.2: A 10 ASN : amide:sc= -1.02 X(o=-1.6,f=-1.5) USER MOD Single : A 1 SER N :NH3+ 146:sc= 0.0322 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0363 USER MOD Single : A 5 MET CE :methyl -169:sc= 0 (180deg=-0.0263) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN :FLIP amide:sc= -0.486 F(o=-1.2,f=-0.49) USER MOD Single : A 11 ASN : amide:sc= -4.67! C(o=-4.7!,f=-8.5!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl -109:sc= -7! (180deg=-14.1!) USER MOD Single : A 18 GLN : amide:sc= -0.0222 K(o=-0.022,f=-1.5!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 43:sc= 0.422 USER MOD Single : A 28 SER OG : rot 180:sc= -0.419 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.232 K(o=-0.23,f=-2.3!) USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= 0.153 (180deg=0.0507) USER MOD Single : A 41 TYR OH : rot -97:sc= -1.72! USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.626 X(o=-0.63,f=-0.51) USER MOD Single : A 57 THR OG1 : rot 160:sc= -0.0527 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS :FLIP no HD1:sc= -5.74! C(o=-6.3!,f=-5.7!) USER MOD Single : A 70 HIS : no HD1:sc= -2.33 X(o=-2.3,f=-2.5) USER MOD Single : A 72 ASN : amide:sc=-0.00488 K(o=-0.0049,f=-1.2) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -117:sc= -15.9! (180deg=-26.3!) USER MOD Single : A 79 LYS NZ :NH3+ 171:sc= 0.22 (180deg=0.185) USER MOD Single : A 85 THR OG1 : rot 180:sc= -2.28 USER MOD Single : A 86 MET CE :methyl -115:sc= -6.89! (180deg=-12.2!) USER MOD Single : A 95 HIS :FLIP no HD1:sc= -2.95! C(o=-3.9!,f=-2.9!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 0.0126 K(o=0.013,f=-5.4!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl -128:sc= 0 (180deg=-0.0663) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot -157:sc= -1.14 USER MOD Single : A 116 MET CE :methyl 161:sc= -10.8! (180deg=-12.4!) USER MOD Single : A 119 LYS NZ :NH3+ 142:sc= 0.083 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS :FLIP no HE2:sc= -17.7! C(o=-22!,f=-18!) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0.541 (180deg=0.541) USER MOD Single : A 126 ASN : amide:sc= -0.0402 X(o=-0.04,f=-0.018) USER MOD Single : A 130 ASN : amide:sc=-0.00335 X(o=-0.0033,f=-0.072) USER MOD Single : A 131 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -8.049 -12.932 -15.293 1.00 0.00 N ATOM 2 CA SER A 1 -8.544 -11.832 -14.481 1.00 0.00 C ATOM 3 C SER A 1 -7.931 -11.900 -13.081 1.00 0.00 C ATOM 4 O SER A 1 -8.484 -12.537 -12.187 1.00 0.00 O ATOM 5 CB SER A 1 -10.072 -11.857 -14.394 1.00 0.00 C ATOM 6 OG SER A 1 -10.677 -11.991 -15.677 1.00 0.00 O ATOM 0 H1 SER A 1 -8.796 -13.245 -15.945 1.00 0.00 H new ATOM 0 H2 SER A 1 -7.222 -12.616 -15.839 1.00 0.00 H new ATOM 0 H3 SER A 1 -7.774 -13.723 -14.676 1.00 0.00 H new ATOM 0 HA SER A 1 -8.249 -10.896 -14.955 1.00 0.00 H new ATOM 0 HB2 SER A 1 -10.385 -12.684 -13.757 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.423 -10.940 -13.921 1.00 0.00 H new ATOM 0 HG SER A 1 -11.652 -12.005 -15.579 1.00 0.00 H new ATOM 12 N PRO A 2 -6.766 -11.214 -12.931 1.00 0.00 N ATOM 13 CA PRO A 2 -6.072 -11.189 -11.654 1.00 0.00 C ATOM 14 C PRO A 2 -6.782 -10.268 -10.660 1.00 0.00 C ATOM 15 O PRO A 2 -7.935 -9.894 -10.871 1.00 0.00 O ATOM 16 CB PRO A 2 -4.660 -10.732 -11.983 1.00 0.00 C ATOM 17 CG PRO A 2 -4.742 -10.074 -13.351 1.00 0.00 C ATOM 18 CD PRO A 2 -6.081 -10.447 -13.967 1.00 0.00 C ATOM 0 HA PRO A 2 -6.058 -12.163 -11.164 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -4.292 -10.031 -11.234 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -3.970 -11.576 -11.996 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -4.652 -8.992 -13.260 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -3.922 -10.410 -13.986 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -6.650 -9.560 -14.244 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -5.949 -11.037 -14.874 1.00 0.00 H new ATOM 26 N GLU A 3 -6.064 -9.929 -9.601 1.00 0.00 N ATOM 27 CA GLU A 3 -6.612 -9.058 -8.574 1.00 0.00 C ATOM 28 C GLU A 3 -7.110 -7.752 -9.197 1.00 0.00 C ATOM 29 O GLU A 3 -7.987 -7.091 -8.641 1.00 0.00 O ATOM 30 CB GLU A 3 -5.579 -8.784 -7.479 1.00 0.00 C ATOM 31 CG GLU A 3 -6.097 -9.238 -6.113 1.00 0.00 C ATOM 32 CD GLU A 3 -5.780 -10.715 -5.868 1.00 0.00 C ATOM 33 OE1 GLU A 3 -4.602 -11.000 -5.566 1.00 0.00 O ATOM 34 OE2 GLU A 3 -6.724 -11.526 -5.990 1.00 0.00 O ATOM 0 H GLU A 3 -5.108 -10.241 -9.431 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.459 -9.563 -8.110 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.650 -9.305 -7.711 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.349 -7.719 -7.449 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.645 -8.631 -5.329 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.174 -9.080 -6.058 1.00 0.00 H new ATOM 41 N ILE A 4 -6.531 -7.420 -10.341 1.00 0.00 N ATOM 42 CA ILE A 4 -6.905 -6.205 -11.044 1.00 0.00 C ATOM 43 C ILE A 4 -8.409 -6.224 -11.321 1.00 0.00 C ATOM 44 O ILE A 4 -9.071 -5.189 -11.249 1.00 0.00 O ATOM 45 CB ILE A 4 -6.050 -6.029 -12.301 1.00 0.00 C ATOM 46 CG1 ILE A 4 -4.589 -6.393 -12.027 1.00 0.00 C ATOM 47 CG2 ILE A 4 -6.193 -4.615 -12.867 1.00 0.00 C ATOM 48 CD1 ILE A 4 -4.112 -5.783 -10.707 1.00 0.00 C ATOM 0 H ILE A 4 -5.805 -7.971 -10.799 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.706 -5.330 -10.426 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.415 -6.719 -13.062 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -4.481 -7.477 -11.991 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.962 -6.037 -12.844 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.575 -4.516 -13.760 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.236 -4.430 -13.125 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.870 -3.890 -12.120 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.071 -6.056 -10.535 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.199 -4.698 -10.755 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.726 -6.160 -9.889 1.00 0.00 H new ATOM 60 N MET A 5 -8.907 -7.412 -11.631 1.00 0.00 N ATOM 61 CA MET A 5 -10.321 -7.579 -11.920 1.00 0.00 C ATOM 62 C MET A 5 -11.088 -8.010 -10.667 1.00 0.00 C ATOM 63 O MET A 5 -12.316 -8.064 -10.677 1.00 0.00 O ATOM 64 CB MET A 5 -10.499 -8.632 -13.015 1.00 0.00 C ATOM 65 CG MET A 5 -10.923 -7.985 -14.335 1.00 0.00 C ATOM 66 SD MET A 5 -9.608 -6.953 -14.960 1.00 0.00 S ATOM 67 CE MET A 5 -10.439 -5.373 -14.983 1.00 0.00 C ATOM 0 H MET A 5 -8.356 -8.269 -11.688 1.00 0.00 H new ATOM 0 HA MET A 5 -10.719 -6.622 -12.257 1.00 0.00 H new ATOM 0 HB2 MET A 5 -9.565 -9.176 -13.156 1.00 0.00 H new ATOM 0 HB3 MET A 5 -11.249 -9.360 -12.706 1.00 0.00 H new ATOM 0 HG2 MET A 5 -11.169 -8.756 -15.065 1.00 0.00 H new ATOM 0 HG3 MET A 5 -11.823 -7.389 -14.185 1.00 0.00 H new ATOM 0 HE1 MET A 5 -9.831 -4.650 -15.528 1.00 0.00 H new ATOM 0 HE2 MET A 5 -11.406 -5.478 -15.475 1.00 0.00 H new ATOM 0 HE3 MET A 5 -10.588 -5.025 -13.961 1.00 0.00 H new ATOM 77 N LYS A 6 -10.332 -8.306 -9.622 1.00 0.00 N ATOM 78 CA LYS A 6 -10.925 -8.731 -8.366 1.00 0.00 C ATOM 79 C LYS A 6 -10.738 -7.629 -7.320 1.00 0.00 C ATOM 80 O LYS A 6 -9.635 -7.429 -6.814 1.00 0.00 O ATOM 81 CB LYS A 6 -10.360 -10.087 -7.937 1.00 0.00 C ATOM 82 CG LYS A 6 -11.483 -11.091 -7.674 1.00 0.00 C ATOM 83 CD LYS A 6 -10.921 -12.429 -7.192 1.00 0.00 C ATOM 84 CE LYS A 6 -12.040 -13.455 -6.993 1.00 0.00 C ATOM 85 NZ LYS A 6 -12.668 -13.285 -5.665 1.00 0.00 N ATOM 0 H LYS A 6 -9.313 -8.260 -9.619 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.998 -8.882 -8.484 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.698 -10.471 -8.713 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.758 -9.966 -7.037 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.167 -10.689 -6.926 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.061 -11.243 -8.586 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.201 -12.807 -7.917 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.384 -12.285 -6.255 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.791 -13.339 -7.775 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.637 -14.464 -7.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.425 -13.988 -5.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.952 -13.418 -4.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.070 -12.329 -5.591 1.00 0.00 H new ATOM 99 N ASN A 7 -11.833 -6.942 -7.029 1.00 0.00 N ATOM 100 CA ASN A 7 -11.805 -5.867 -6.053 1.00 0.00 C ATOM 101 C ASN A 7 -12.751 -6.205 -4.899 1.00 0.00 C ATOM 102 O ASN A 7 -13.841 -6.728 -5.118 1.00 0.00 O ATOM 103 CB ASN A 7 -12.270 -4.549 -6.675 1.00 0.00 C ATOM 104 CG ASN A 7 -13.790 -4.531 -6.849 1.00 0.00 C ATOM 105 OD1 ASN A 7 -14.425 -3.751 -5.979 1.00 0.00 O flip ATOM 106 ND2 ASN A 7 -14.348 -5.182 -7.718 1.00 0.00 N flip ATOM 0 H ASN A 7 -12.746 -7.110 -7.453 1.00 0.00 H new ATOM 0 HA ASN A 7 -10.780 -5.759 -5.700 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -11.963 -3.716 -6.043 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -11.788 -4.409 -7.643 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.799 -5.761 -8.353 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -15.363 -5.147 -7.809 1.00 0.00 H new ATOM 113 N LEU A 8 -12.296 -5.893 -3.694 1.00 0.00 N ATOM 114 CA LEU A 8 -13.088 -6.156 -2.504 1.00 0.00 C ATOM 115 C LEU A 8 -14.286 -5.205 -2.473 1.00 0.00 C ATOM 116 O LEU A 8 -14.562 -4.516 -3.453 1.00 0.00 O ATOM 117 CB LEU A 8 -12.214 -6.086 -1.252 1.00 0.00 C ATOM 118 CG LEU A 8 -11.177 -4.960 -1.219 1.00 0.00 C ATOM 119 CD1 LEU A 8 -11.149 -4.278 0.149 1.00 0.00 C ATOM 120 CD2 LEU A 8 -9.797 -5.474 -1.632 1.00 0.00 C ATOM 0 H LEU A 8 -11.389 -5.461 -3.516 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.487 -7.170 -2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.865 -5.979 -0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.692 -7.037 -1.144 1.00 0.00 H new ATOM 0 HG LEU A 8 -11.471 -4.205 -1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.404 -3.483 0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.130 -3.855 0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -10.893 -5.010 0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.079 -4.655 -1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.481 -6.260 -0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.846 -5.874 -2.645 1.00 0.00 H new ATOM 132 N SER A 9 -14.966 -5.199 -1.336 1.00 0.00 N ATOM 133 CA SER A 9 -16.128 -4.344 -1.164 1.00 0.00 C ATOM 134 C SER A 9 -15.795 -2.913 -1.594 1.00 0.00 C ATOM 135 O SER A 9 -15.763 -2.612 -2.785 1.00 0.00 O ATOM 136 CB SER A 9 -16.615 -4.361 0.288 1.00 0.00 C ATOM 137 OG SER A 9 -17.640 -3.398 0.519 1.00 0.00 O ATOM 0 H SER A 9 -14.735 -5.773 -0.525 1.00 0.00 H new ATOM 0 HA SER A 9 -16.930 -4.729 -1.794 1.00 0.00 H new ATOM 0 HB2 SER A 9 -16.990 -5.355 0.533 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.775 -4.164 0.954 1.00 0.00 H new ATOM 0 HG SER A 9 -17.924 -3.441 1.456 1.00 0.00 H new ATOM 143 N ASN A 10 -15.553 -2.072 -0.600 1.00 0.00 N ATOM 144 CA ASN A 10 -15.222 -0.681 -0.860 1.00 0.00 C ATOM 145 C ASN A 10 -13.881 -0.349 -0.204 1.00 0.00 C ATOM 146 O ASN A 10 -13.132 0.489 -0.704 1.00 0.00 O ATOM 147 CB ASN A 10 -16.279 0.255 -0.273 1.00 0.00 C ATOM 148 CG ASN A 10 -17.211 -0.497 0.680 1.00 0.00 C ATOM 149 OD1 ASN A 10 -18.371 -0.740 0.393 1.00 0.00 O ATOM 150 ND2 ASN A 10 -16.639 -0.850 1.828 1.00 0.00 N ATOM 0 H ASN A 10 -15.579 -2.327 0.387 1.00 0.00 H new ATOM 0 HA ASN A 10 -15.176 -0.542 -1.940 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.791 1.072 0.259 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -16.861 0.702 -1.079 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -17.177 -1.356 2.532 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -15.662 -0.615 2.005 1.00 0.00 H new ATOM 157 N ASN A 11 -13.617 -1.023 0.905 1.00 0.00 N ATOM 158 CA ASN A 11 -12.378 -0.811 1.634 1.00 0.00 C ATOM 159 C ASN A 11 -11.281 -0.391 0.655 1.00 0.00 C ATOM 160 O ASN A 11 -10.430 0.433 0.985 1.00 0.00 O ATOM 161 CB ASN A 11 -11.923 -2.094 2.334 1.00 0.00 C ATOM 162 CG ASN A 11 -13.100 -3.045 2.553 1.00 0.00 C ATOM 163 OD1 ASN A 11 -13.066 -4.210 2.193 1.00 0.00 O ATOM 164 ND2 ASN A 11 -14.142 -2.486 3.165 1.00 0.00 N ATOM 0 H ASN A 11 -14.240 -1.717 1.317 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.555 -0.037 2.381 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.158 -2.588 1.735 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.467 -1.847 3.293 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -14.977 -3.039 3.359 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -14.105 -1.505 3.440 1.00 0.00 H new ATOM 171 N PHE A 12 -11.335 -0.978 -0.532 1.00 0.00 N ATOM 172 CA PHE A 12 -10.355 -0.676 -1.562 1.00 0.00 C ATOM 173 C PHE A 12 -10.980 0.153 -2.686 1.00 0.00 C ATOM 174 O PHE A 12 -10.630 1.318 -2.870 1.00 0.00 O ATOM 175 CB PHE A 12 -9.882 -2.013 -2.134 1.00 0.00 C ATOM 176 CG PHE A 12 -8.375 -2.083 -2.388 1.00 0.00 C ATOM 177 CD1 PHE A 12 -7.518 -2.257 -1.344 1.00 0.00 C ATOM 178 CD2 PHE A 12 -7.891 -1.973 -3.653 1.00 0.00 C ATOM 179 CE1 PHE A 12 -6.119 -2.321 -1.580 1.00 0.00 C ATOM 180 CE2 PHE A 12 -6.492 -2.037 -3.888 1.00 0.00 C ATOM 181 CZ PHE A 12 -5.635 -2.209 -2.846 1.00 0.00 C ATOM 0 H PHE A 12 -12.042 -1.661 -0.803 1.00 0.00 H new ATOM 0 HA PHE A 12 -9.532 -0.101 -1.137 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.161 -2.810 -1.445 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -10.407 -2.202 -3.070 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.902 -2.346 -0.338 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.571 -1.837 -4.481 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.438 -2.459 -0.753 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.109 -1.949 -4.894 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.571 -2.257 -3.024 1.00 0.00 H new ATOM 191 N GLY A 13 -11.894 -0.478 -3.406 1.00 0.00 N ATOM 192 CA GLY A 13 -12.571 0.187 -4.507 1.00 0.00 C ATOM 193 C GLY A 13 -12.974 1.612 -4.122 1.00 0.00 C ATOM 194 O GLY A 13 -12.964 2.512 -4.959 1.00 0.00 O ATOM 0 H GLY A 13 -12.183 -1.444 -3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.917 0.213 -5.378 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -13.457 -0.381 -4.790 1.00 0.00 H new ATOM 198 N LYS A 14 -13.320 1.771 -2.852 1.00 0.00 N ATOM 199 CA LYS A 14 -13.726 3.071 -2.345 1.00 0.00 C ATOM 200 C LYS A 14 -12.486 3.940 -2.129 1.00 0.00 C ATOM 201 O LYS A 14 -12.391 5.041 -2.667 1.00 0.00 O ATOM 202 CB LYS A 14 -14.592 2.912 -1.094 1.00 0.00 C ATOM 203 CG LYS A 14 -15.128 4.265 -0.623 1.00 0.00 C ATOM 204 CD LYS A 14 -16.135 4.089 0.517 1.00 0.00 C ATOM 205 CE LYS A 14 -15.424 4.021 1.870 1.00 0.00 C ATOM 206 NZ LYS A 14 -16.410 3.890 2.966 1.00 0.00 N ATOM 0 H LYS A 14 -13.327 1.022 -2.160 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.352 3.585 -3.074 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -15.424 2.241 -1.306 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.007 2.452 -0.298 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.301 4.892 -0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.603 4.782 -1.456 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.841 4.919 0.515 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -16.713 3.178 0.359 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.739 3.173 1.886 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.824 4.919 2.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.912 3.845 3.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.047 4.712 2.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.965 3.021 2.832 1.00 0.00 H new ATOM 220 N ALA A 15 -11.564 3.411 -1.336 1.00 0.00 N ATOM 221 CA ALA A 15 -10.333 4.124 -1.042 1.00 0.00 C ATOM 222 C ALA A 15 -9.582 4.399 -2.346 1.00 0.00 C ATOM 223 O ALA A 15 -9.072 5.500 -2.553 1.00 0.00 O ATOM 224 CB ALA A 15 -9.498 3.313 -0.049 1.00 0.00 C ATOM 0 H ALA A 15 -11.646 2.498 -0.889 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.549 5.086 -0.578 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.574 3.848 0.172 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.064 3.171 0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.260 2.341 -0.482 1.00 0.00 H new ATOM 230 N MET A 16 -9.538 3.381 -3.192 1.00 0.00 N ATOM 231 CA MET A 16 -8.860 3.500 -4.472 1.00 0.00 C ATOM 232 C MET A 16 -9.517 4.570 -5.344 1.00 0.00 C ATOM 233 O MET A 16 -8.831 5.314 -6.044 1.00 0.00 O ATOM 234 CB MET A 16 -8.898 2.154 -5.197 1.00 0.00 C ATOM 235 CG MET A 16 -8.150 1.080 -4.402 1.00 0.00 C ATOM 236 SD MET A 16 -6.403 1.445 -4.377 1.00 0.00 S ATOM 237 CE MET A 16 -6.330 2.518 -2.953 1.00 0.00 C ATOM 0 H MET A 16 -9.961 2.470 -3.016 1.00 0.00 H new ATOM 0 HA MET A 16 -7.827 3.794 -4.288 1.00 0.00 H new ATOM 0 HB2 MET A 16 -9.933 1.846 -5.346 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.451 2.257 -6.186 1.00 0.00 H new ATOM 0 HG2 MET A 16 -8.535 1.036 -3.383 1.00 0.00 H new ATOM 0 HG3 MET A 16 -8.319 0.101 -4.850 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.138 3.541 -3.277 1.00 0.00 H new ATOM 0 HE2 MET A 16 -7.279 2.479 -2.419 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.528 2.191 -2.291 1.00 0.00 H new ATOM 247 N ASP A 17 -10.839 4.613 -5.277 1.00 0.00 N ATOM 248 CA ASP A 17 -11.598 5.580 -6.053 1.00 0.00 C ATOM 249 C ASP A 17 -11.311 6.987 -5.526 1.00 0.00 C ATOM 250 O ASP A 17 -11.161 7.926 -6.307 1.00 0.00 O ATOM 251 CB ASP A 17 -13.102 5.326 -5.929 1.00 0.00 C ATOM 252 CG ASP A 17 -13.992 6.404 -6.550 1.00 0.00 C ATOM 253 OD1 ASP A 17 -13.875 7.565 -6.101 1.00 0.00 O ATOM 254 OD2 ASP A 17 -14.770 6.044 -7.459 1.00 0.00 O ATOM 0 H ASP A 17 -11.405 3.994 -4.697 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.301 5.483 -7.097 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -13.334 4.370 -6.398 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.354 5.232 -4.873 1.00 0.00 H new ATOM 259 N GLN A 18 -11.244 7.089 -4.208 1.00 0.00 N ATOM 260 CA GLN A 18 -10.977 8.366 -3.568 1.00 0.00 C ATOM 261 C GLN A 18 -9.514 8.765 -3.768 1.00 0.00 C ATOM 262 O GLN A 18 -9.213 9.934 -4.003 1.00 0.00 O ATOM 263 CB GLN A 18 -11.335 8.320 -2.081 1.00 0.00 C ATOM 264 CG GLN A 18 -12.761 8.820 -1.843 1.00 0.00 C ATOM 265 CD GLN A 18 -13.009 9.089 -0.358 1.00 0.00 C ATOM 266 OE1 GLN A 18 -12.092 9.264 0.428 1.00 0.00 O ATOM 267 NE2 GLN A 18 -14.294 9.112 -0.019 1.00 0.00 N ATOM 0 H GLN A 18 -11.370 6.308 -3.564 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.606 9.123 -4.036 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.238 7.299 -1.712 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.632 8.932 -1.515 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -12.930 9.733 -2.414 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.475 8.080 -2.206 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.011 8.958 -0.728 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.563 9.284 0.950 1.00 0.00 H new ATOM 276 N CYS A 19 -8.644 7.771 -3.667 1.00 0.00 N ATOM 277 CA CYS A 19 -7.220 8.003 -3.835 1.00 0.00 C ATOM 278 C CYS A 19 -6.976 8.485 -5.266 1.00 0.00 C ATOM 279 O CYS A 19 -6.095 9.308 -5.507 1.00 0.00 O ATOM 280 CB CYS A 19 -6.400 6.754 -3.506 1.00 0.00 C ATOM 281 SG CYS A 19 -6.388 6.289 -1.735 1.00 0.00 S ATOM 0 H CYS A 19 -8.898 6.803 -3.471 1.00 0.00 H new ATOM 0 HA CYS A 19 -6.890 8.769 -3.134 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -6.791 5.917 -4.084 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -5.372 6.915 -3.832 1.00 0.00 H new ATOM 286 N LYS A 20 -7.773 7.949 -6.180 1.00 0.00 N ATOM 287 CA LYS A 20 -7.655 8.313 -7.581 1.00 0.00 C ATOM 288 C LYS A 20 -8.093 9.768 -7.765 1.00 0.00 C ATOM 289 O LYS A 20 -7.949 10.332 -8.849 1.00 0.00 O ATOM 290 CB LYS A 20 -8.425 7.324 -8.459 1.00 0.00 C ATOM 291 CG LYS A 20 -7.686 7.067 -9.775 1.00 0.00 C ATOM 292 CD LYS A 20 -8.588 6.346 -10.777 1.00 0.00 C ATOM 293 CE LYS A 20 -8.627 7.091 -12.113 1.00 0.00 C ATOM 294 NZ LYS A 20 -9.708 6.559 -12.972 1.00 0.00 N ATOM 0 H LYS A 20 -8.503 7.266 -5.977 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.616 8.249 -7.904 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.558 6.384 -7.923 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.420 7.716 -8.667 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.350 8.013 -10.198 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.795 6.468 -9.585 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.225 5.330 -10.933 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.597 6.265 -10.372 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.784 8.155 -11.938 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.668 6.990 -12.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.720 7.076 -13.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.542 5.549 -13.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.623 6.678 -12.492 1.00 0.00 H new ATOM 308 N ASP A 21 -8.618 10.335 -6.689 1.00 0.00 N ATOM 309 CA ASP A 21 -9.077 11.714 -6.716 1.00 0.00 C ATOM 310 C ASP A 21 -8.138 12.576 -5.872 1.00 0.00 C ATOM 311 O ASP A 21 -7.418 13.419 -6.403 1.00 0.00 O ATOM 312 CB ASP A 21 -10.486 11.836 -6.134 1.00 0.00 C ATOM 313 CG ASP A 21 -11.553 12.322 -7.117 1.00 0.00 C ATOM 314 OD1 ASP A 21 -11.388 13.456 -7.616 1.00 0.00 O ATOM 315 OD2 ASP A 21 -12.508 11.549 -7.346 1.00 0.00 O ATOM 0 H ASP A 21 -8.736 9.864 -5.792 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.086 12.047 -7.754 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.788 10.863 -5.746 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.455 12.522 -5.287 1.00 0.00 H new ATOM 320 N GLU A 22 -8.180 12.337 -4.569 1.00 0.00 N ATOM 321 CA GLU A 22 -7.341 13.082 -3.645 1.00 0.00 C ATOM 322 C GLU A 22 -5.909 13.162 -4.175 1.00 0.00 C ATOM 323 O GLU A 22 -5.276 14.214 -4.104 1.00 0.00 O ATOM 324 CB GLU A 22 -7.376 12.459 -2.248 1.00 0.00 C ATOM 325 CG GLU A 22 -7.233 10.937 -2.324 1.00 0.00 C ATOM 326 CD GLU A 22 -8.374 10.241 -1.578 1.00 0.00 C ATOM 327 OE1 GLU A 22 -9.485 10.814 -1.579 1.00 0.00 O ATOM 328 OE2 GLU A 22 -8.109 9.152 -1.025 1.00 0.00 O ATOM 0 H GLU A 22 -8.781 11.639 -4.132 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.734 14.095 -3.564 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.572 12.874 -1.640 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.313 12.716 -1.754 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.229 10.620 -3.367 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.277 10.636 -1.896 1.00 0.00 H new ATOM 335 N LEU A 23 -5.439 12.037 -4.692 1.00 0.00 N ATOM 336 CA LEU A 23 -4.093 11.966 -5.233 1.00 0.00 C ATOM 337 C LEU A 23 -4.149 12.123 -6.755 1.00 0.00 C ATOM 338 O LEU A 23 -3.122 12.328 -7.400 1.00 0.00 O ATOM 339 CB LEU A 23 -3.397 10.684 -4.773 1.00 0.00 C ATOM 340 CG LEU A 23 -3.713 10.224 -3.348 1.00 0.00 C ATOM 341 CD1 LEU A 23 -3.414 8.733 -3.175 1.00 0.00 C ATOM 342 CD2 LEU A 23 -2.975 11.081 -2.318 1.00 0.00 C ATOM 0 H LEU A 23 -5.967 11.166 -4.748 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.486 12.786 -4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.665 9.882 -5.460 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.320 10.829 -4.857 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.780 10.361 -3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.647 8.431 -2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.023 8.157 -3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.359 8.548 -3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.217 10.733 -1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.900 11.000 -2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.281 12.122 -2.425 1.00 0.00 H new ATOM 354 N SER A 24 -5.361 12.018 -7.282 1.00 0.00 N ATOM 355 CA SER A 24 -5.566 12.144 -8.716 1.00 0.00 C ATOM 356 C SER A 24 -4.645 11.177 -9.463 1.00 0.00 C ATOM 357 O SER A 24 -4.437 11.318 -10.668 1.00 0.00 O ATOM 358 CB SER A 24 -5.318 13.580 -9.183 1.00 0.00 C ATOM 359 OG SER A 24 -6.488 14.386 -9.077 1.00 0.00 O ATOM 0 H SER A 24 -6.210 11.847 -6.743 1.00 0.00 H new ATOM 0 HA SER A 24 -6.603 11.892 -8.937 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.519 14.022 -8.588 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.977 13.571 -10.218 1.00 0.00 H new ATOM 0 HG SER A 24 -6.932 14.207 -8.222 1.00 0.00 H new ATOM 365 N LEU A 25 -4.118 10.217 -8.718 1.00 0.00 N ATOM 366 CA LEU A 25 -3.226 9.226 -9.295 1.00 0.00 C ATOM 367 C LEU A 25 -4.054 8.101 -9.921 1.00 0.00 C ATOM 368 O LEU A 25 -5.252 7.994 -9.667 1.00 0.00 O ATOM 369 CB LEU A 25 -2.217 8.740 -8.252 1.00 0.00 C ATOM 370 CG LEU A 25 -2.673 7.575 -7.370 1.00 0.00 C ATOM 371 CD1 LEU A 25 -4.164 7.688 -7.041 1.00 0.00 C ATOM 372 CD2 LEU A 25 -2.329 6.231 -8.015 1.00 0.00 C ATOM 0 H LEU A 25 -4.292 10.104 -7.719 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.634 9.669 -10.096 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.304 8.443 -8.769 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.959 9.579 -7.606 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.129 7.628 -6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.463 6.848 -6.413 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.350 8.622 -6.510 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.742 7.674 -7.965 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.664 5.420 -7.368 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.827 6.153 -8.981 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.250 6.161 -8.156 1.00 0.00 H new ATOM 384 N PRO A 26 -3.363 7.272 -10.748 1.00 0.00 N ATOM 385 CA PRO A 26 -4.023 6.158 -11.410 1.00 0.00 C ATOM 386 C PRO A 26 -4.291 5.016 -10.430 1.00 0.00 C ATOM 387 O PRO A 26 -3.364 4.486 -9.819 1.00 0.00 O ATOM 388 CB PRO A 26 -3.085 5.764 -12.540 1.00 0.00 C ATOM 389 CG PRO A 26 -1.731 6.357 -12.185 1.00 0.00 C ATOM 390 CD PRO A 26 -1.943 7.367 -11.070 1.00 0.00 C ATOM 0 HA PRO A 26 -5.007 6.422 -11.798 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.023 4.680 -12.636 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.441 6.149 -13.495 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.043 5.574 -11.865 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -1.285 6.837 -13.056 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.324 7.135 -10.203 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.677 8.374 -11.392 1.00 0.00 H new ATOM 398 N ASP A 27 -5.564 4.670 -10.307 1.00 0.00 N ATOM 399 CA ASP A 27 -5.966 3.600 -9.412 1.00 0.00 C ATOM 400 C ASP A 27 -5.472 2.263 -9.965 1.00 0.00 C ATOM 401 O ASP A 27 -5.683 1.217 -9.353 1.00 0.00 O ATOM 402 CB ASP A 27 -7.490 3.527 -9.289 1.00 0.00 C ATOM 403 CG ASP A 27 -8.213 3.002 -10.530 1.00 0.00 C ATOM 404 OD1 ASP A 27 -7.541 2.901 -11.579 1.00 0.00 O ATOM 405 OD2 ASP A 27 -9.422 2.712 -10.402 1.00 0.00 O ATOM 0 H ASP A 27 -6.331 5.113 -10.813 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.534 3.802 -8.432 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.741 2.888 -8.443 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.869 4.523 -9.060 1.00 0.00 H new ATOM 410 N SER A 28 -4.823 2.340 -11.118 1.00 0.00 N ATOM 411 CA SER A 28 -4.296 1.148 -11.762 1.00 0.00 C ATOM 412 C SER A 28 -2.935 0.789 -11.164 1.00 0.00 C ATOM 413 O SER A 28 -2.636 -0.386 -10.957 1.00 0.00 O ATOM 414 CB SER A 28 -4.176 1.348 -13.274 1.00 0.00 C ATOM 415 OG SER A 28 -3.660 2.634 -13.604 1.00 0.00 O ATOM 0 H SER A 28 -4.650 3.209 -11.623 1.00 0.00 H new ATOM 0 HA SER A 28 -4.991 0.327 -11.585 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.526 0.579 -13.691 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.156 1.221 -13.735 1.00 0.00 H new ATOM 0 HG SER A 28 -3.597 2.721 -14.578 1.00 0.00 H new ATOM 421 N VAL A 29 -2.147 1.821 -10.904 1.00 0.00 N ATOM 422 CA VAL A 29 -0.825 1.629 -10.334 1.00 0.00 C ATOM 423 C VAL A 29 -0.956 0.954 -8.967 1.00 0.00 C ATOM 424 O VAL A 29 -0.125 0.126 -8.597 1.00 0.00 O ATOM 425 CB VAL A 29 -0.081 2.964 -10.272 1.00 0.00 C ATOM 426 CG1 VAL A 29 0.159 3.524 -11.674 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.837 3.972 -9.401 1.00 0.00 C ATOM 0 H VAL A 29 -2.399 2.794 -11.078 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.230 0.970 -10.967 1.00 0.00 H new ATOM 0 HB VAL A 29 0.891 2.785 -9.812 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.690 4.473 -11.601 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.757 2.818 -12.250 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.798 3.681 -12.172 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.287 4.913 -9.373 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.829 4.143 -9.820 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.934 3.578 -8.389 1.00 0.00 H new ATOM 437 N VAL A 30 -2.008 1.331 -8.255 1.00 0.00 N ATOM 438 CA VAL A 30 -2.260 0.773 -6.939 1.00 0.00 C ATOM 439 C VAL A 30 -2.847 -0.633 -7.088 1.00 0.00 C ATOM 440 O VAL A 30 -2.601 -1.505 -6.256 1.00 0.00 O ATOM 441 CB VAL A 30 -3.158 1.713 -6.133 1.00 0.00 C ATOM 442 CG1 VAL A 30 -4.560 1.785 -6.740 1.00 0.00 C ATOM 443 CG2 VAL A 30 -3.219 1.291 -4.664 1.00 0.00 C ATOM 0 H VAL A 30 -2.696 2.017 -8.566 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.328 0.679 -6.381 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.721 2.711 -6.176 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.178 2.460 -6.148 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.495 2.156 -7.763 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.007 0.791 -6.742 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.864 1.977 -4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.620 0.280 -4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.217 1.315 -4.237 1.00 0.00 H new ATOM 453 N ALA A 31 -3.613 -0.808 -8.155 1.00 0.00 N ATOM 454 CA ALA A 31 -4.238 -2.092 -8.425 1.00 0.00 C ATOM 455 C ALA A 31 -3.185 -3.063 -8.964 1.00 0.00 C ATOM 456 O ALA A 31 -3.304 -4.274 -8.784 1.00 0.00 O ATOM 457 CB ALA A 31 -5.404 -1.899 -9.396 1.00 0.00 C ATOM 0 H ALA A 31 -3.815 -0.082 -8.843 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.645 -2.521 -7.509 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.872 -2.862 -9.598 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.137 -1.224 -8.954 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.034 -1.473 -10.328 1.00 0.00 H new ATOM 463 N ASP A 32 -2.180 -2.495 -9.614 1.00 0.00 N ATOM 464 CA ASP A 32 -1.108 -3.295 -10.180 1.00 0.00 C ATOM 465 C ASP A 32 -0.254 -3.870 -9.048 1.00 0.00 C ATOM 466 O ASP A 32 0.488 -4.830 -9.251 1.00 0.00 O ATOM 467 CB ASP A 32 -0.200 -2.447 -11.073 1.00 0.00 C ATOM 468 CG ASP A 32 1.027 -3.176 -11.626 1.00 0.00 C ATOM 469 OD1 ASP A 32 0.817 -4.150 -12.379 1.00 0.00 O ATOM 470 OD2 ASP A 32 2.147 -2.742 -11.281 1.00 0.00 O ATOM 0 H ASP A 32 -2.086 -1.490 -9.761 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.559 -4.090 -10.775 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.788 -2.070 -11.910 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.137 -1.580 -10.504 1.00 0.00 H new ATOM 475 N LEU A 33 -0.387 -3.258 -7.881 1.00 0.00 N ATOM 476 CA LEU A 33 0.363 -3.696 -6.716 1.00 0.00 C ATOM 477 C LEU A 33 0.054 -5.169 -6.441 1.00 0.00 C ATOM 478 O LEU A 33 0.966 -5.978 -6.268 1.00 0.00 O ATOM 479 CB LEU A 33 0.090 -2.778 -5.524 1.00 0.00 C ATOM 480 CG LEU A 33 0.149 -1.275 -5.808 1.00 0.00 C ATOM 481 CD1 LEU A 33 -0.328 -0.470 -4.598 1.00 0.00 C ATOM 482 CD2 LEU A 33 1.550 -0.858 -6.260 1.00 0.00 C ATOM 0 H LEU A 33 -1.003 -2.462 -7.717 1.00 0.00 H new ATOM 0 HA LEU A 33 1.434 -3.623 -6.904 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.897 -3.014 -5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.812 -3.008 -4.740 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.533 -1.054 -6.629 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.276 0.595 -4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.357 -0.741 -4.363 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.309 -0.689 -3.741 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.565 0.214 -6.455 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.270 -1.094 -5.477 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.814 -1.396 -7.170 1.00 0.00 H new ATOM 494 N TYR A 34 -1.235 -5.475 -6.408 1.00 0.00 N ATOM 495 CA TYR A 34 -1.675 -6.836 -6.155 1.00 0.00 C ATOM 496 C TYR A 34 -0.968 -7.823 -7.088 1.00 0.00 C ATOM 497 O TYR A 34 -0.811 -8.996 -6.751 1.00 0.00 O ATOM 498 CB TYR A 34 -3.176 -6.856 -6.456 1.00 0.00 C ATOM 499 CG TYR A 34 -4.059 -6.690 -5.219 1.00 0.00 C ATOM 500 CD1 TYR A 34 -3.864 -7.499 -4.118 1.00 0.00 C ATOM 501 CD2 TYR A 34 -5.053 -5.733 -5.202 1.00 0.00 C ATOM 502 CE1 TYR A 34 -4.696 -7.343 -2.952 1.00 0.00 C ATOM 503 CE2 TYR A 34 -5.884 -5.576 -4.038 1.00 0.00 C ATOM 504 CZ TYR A 34 -5.666 -6.390 -2.969 1.00 0.00 C ATOM 505 OH TYR A 34 -6.451 -6.243 -1.870 1.00 0.00 O ATOM 0 H TYR A 34 -1.989 -4.803 -6.552 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.449 -7.128 -5.129 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -3.405 -6.059 -7.163 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -3.426 -7.798 -6.945 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.087 -8.249 -4.130 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.207 -5.101 -6.064 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.552 -7.969 -2.084 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.663 -4.829 -4.013 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.099 -5.524 -2.025 1.00 0.00 H new ATOM 515 N ASN A 35 -0.562 -7.311 -8.240 1.00 0.00 N ATOM 516 CA ASN A 35 0.125 -8.131 -9.223 1.00 0.00 C ATOM 517 C ASN A 35 1.512 -8.500 -8.693 1.00 0.00 C ATOM 518 O ASN A 35 1.840 -9.680 -8.569 1.00 0.00 O ATOM 519 CB ASN A 35 0.307 -7.377 -10.541 1.00 0.00 C ATOM 520 CG ASN A 35 0.241 -8.332 -11.733 1.00 0.00 C ATOM 521 OD1 ASN A 35 -0.298 -9.424 -11.659 1.00 0.00 O ATOM 522 ND2 ASN A 35 0.816 -7.863 -12.837 1.00 0.00 N ATOM 0 H ASN A 35 -0.696 -6.338 -8.515 1.00 0.00 H new ATOM 0 HA ASN A 35 -0.478 -9.022 -9.399 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.466 -6.615 -10.638 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.266 -6.859 -10.538 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.823 -8.426 -13.687 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.250 -6.940 -12.833 1.00 0.00 H new ATOM 529 N PHE A 36 2.290 -7.470 -8.396 1.00 0.00 N ATOM 530 CA PHE A 36 3.634 -7.670 -7.883 1.00 0.00 C ATOM 531 C PHE A 36 4.243 -6.348 -7.408 1.00 0.00 C ATOM 532 O PHE A 36 5.022 -5.726 -8.127 1.00 0.00 O ATOM 533 CB PHE A 36 4.476 -8.221 -9.037 1.00 0.00 C ATOM 534 CG PHE A 36 4.330 -9.727 -9.250 1.00 0.00 C ATOM 535 CD1 PHE A 36 4.529 -10.584 -8.210 1.00 0.00 C ATOM 536 CD2 PHE A 36 4.003 -10.213 -10.477 1.00 0.00 C ATOM 537 CE1 PHE A 36 4.393 -11.984 -8.409 1.00 0.00 C ATOM 538 CE2 PHE A 36 3.867 -11.613 -10.675 1.00 0.00 C ATOM 539 CZ PHE A 36 4.066 -12.468 -9.637 1.00 0.00 C ATOM 0 H PHE A 36 2.015 -6.493 -8.501 1.00 0.00 H new ATOM 0 HA PHE A 36 3.610 -8.353 -7.034 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.196 -7.706 -9.956 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.525 -7.991 -8.850 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.790 -10.199 -7.235 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.846 -9.534 -11.302 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.549 -12.664 -7.585 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.606 -11.998 -11.650 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.964 -13.533 -9.788 1.00 0.00 H new ATOM 549 N TRP A 37 3.863 -5.960 -6.199 1.00 0.00 N ATOM 550 CA TRP A 37 4.362 -4.725 -5.620 1.00 0.00 C ATOM 551 C TRP A 37 5.654 -5.044 -4.866 1.00 0.00 C ATOM 552 O TRP A 37 6.117 -4.243 -4.055 1.00 0.00 O ATOM 553 CB TRP A 37 3.300 -4.067 -4.735 1.00 0.00 C ATOM 554 CG TRP A 37 3.495 -2.561 -4.546 1.00 0.00 C ATOM 555 CD1 TRP A 37 4.284 -1.736 -5.246 1.00 0.00 C ATOM 556 CD2 TRP A 37 2.851 -1.730 -3.557 1.00 0.00 C ATOM 557 NE1 TRP A 37 4.198 -0.439 -4.784 1.00 0.00 N ATOM 558 CE2 TRP A 37 3.298 -0.435 -3.725 1.00 0.00 C ATOM 559 CE3 TRP A 37 1.923 -2.059 -2.556 1.00 0.00 C ATOM 560 CZ2 TRP A 37 2.872 0.633 -2.926 1.00 0.00 C ATOM 561 CZ3 TRP A 37 1.506 -0.981 -1.765 1.00 0.00 C ATOM 562 CH2 TRP A 37 1.946 0.327 -1.921 1.00 0.00 C ATOM 0 H TRP A 37 3.216 -6.479 -5.605 1.00 0.00 H new ATOM 0 HA TRP A 37 4.585 -3.996 -6.399 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.317 -4.244 -5.172 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.306 -4.549 -3.758 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.910 -2.047 -6.070 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.702 0.368 -5.152 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.559 -3.065 -2.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.238 1.638 -3.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.793 -1.181 -0.979 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.576 1.105 -1.270 1.00 0.00 H new ATOM 573 N LYS A 38 6.200 -6.215 -5.160 1.00 0.00 N ATOM 574 CA LYS A 38 7.430 -6.648 -4.521 1.00 0.00 C ATOM 575 C LYS A 38 8.614 -5.905 -5.142 1.00 0.00 C ATOM 576 O LYS A 38 9.287 -5.128 -4.466 1.00 0.00 O ATOM 577 CB LYS A 38 7.559 -8.172 -4.586 1.00 0.00 C ATOM 578 CG LYS A 38 6.381 -8.853 -3.886 1.00 0.00 C ATOM 579 CD LYS A 38 5.414 -9.462 -4.903 1.00 0.00 C ATOM 580 CE LYS A 38 4.244 -10.153 -4.202 1.00 0.00 C ATOM 581 NZ LYS A 38 3.025 -10.082 -5.038 1.00 0.00 N ATOM 0 H LYS A 38 5.813 -6.877 -5.832 1.00 0.00 H new ATOM 0 HA LYS A 38 7.416 -6.395 -3.461 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.603 -8.493 -5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.493 -8.482 -4.118 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.751 -9.632 -3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.853 -8.128 -3.267 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.037 -8.682 -5.564 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.944 -10.181 -5.528 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.495 -11.195 -4.003 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.059 -9.680 -3.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.346 -10.805 -4.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.595 -9.140 -4.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.276 -10.251 -6.033 1.00 0.00 H new ATOM 595 N ASP A 39 8.831 -6.168 -6.422 1.00 0.00 N ATOM 596 CA ASP A 39 9.923 -5.533 -7.142 1.00 0.00 C ATOM 597 C ASP A 39 9.569 -4.068 -7.405 1.00 0.00 C ATOM 598 O ASP A 39 10.438 -3.199 -7.371 1.00 0.00 O ATOM 599 CB ASP A 39 10.161 -6.212 -8.492 1.00 0.00 C ATOM 600 CG ASP A 39 11.291 -5.610 -9.328 1.00 0.00 C ATOM 601 OD1 ASP A 39 11.766 -4.521 -8.941 1.00 0.00 O ATOM 602 OD2 ASP A 39 11.656 -6.253 -10.336 1.00 0.00 O ATOM 0 H ASP A 39 8.270 -6.812 -6.980 1.00 0.00 H new ATOM 0 HA ASP A 39 10.823 -5.617 -6.533 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.380 -7.266 -8.318 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.238 -6.169 -9.071 1.00 0.00 H new ATOM 607 N ASP A 40 8.289 -3.839 -7.664 1.00 0.00 N ATOM 608 CA ASP A 40 7.811 -2.494 -7.934 1.00 0.00 C ATOM 609 C ASP A 40 7.884 -1.664 -6.650 1.00 0.00 C ATOM 610 O ASP A 40 7.027 -1.789 -5.776 1.00 0.00 O ATOM 611 CB ASP A 40 6.353 -2.511 -8.403 1.00 0.00 C ATOM 612 CG ASP A 40 5.669 -1.144 -8.439 1.00 0.00 C ATOM 613 OD1 ASP A 40 6.331 -0.189 -8.902 1.00 0.00 O ATOM 614 OD2 ASP A 40 4.500 -1.083 -8.003 1.00 0.00 O ATOM 0 H ASP A 40 7.570 -4.562 -7.692 1.00 0.00 H new ATOM 0 HA ASP A 40 8.437 -2.064 -8.716 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.313 -2.947 -9.401 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.783 -3.168 -7.746 1.00 0.00 H new ATOM 619 N TYR A 41 8.914 -0.835 -6.578 1.00 0.00 N ATOM 620 CA TYR A 41 9.110 0.015 -5.415 1.00 0.00 C ATOM 621 C TYR A 41 8.686 1.454 -5.712 1.00 0.00 C ATOM 622 O TYR A 41 8.800 1.918 -6.845 1.00 0.00 O ATOM 623 CB TYR A 41 10.612 -0.011 -5.123 1.00 0.00 C ATOM 624 CG TYR A 41 11.013 0.755 -3.860 1.00 0.00 C ATOM 625 CD1 TYR A 41 10.141 0.829 -2.793 1.00 0.00 C ATOM 626 CD2 TYR A 41 12.246 1.369 -3.789 1.00 0.00 C ATOM 627 CE1 TYR A 41 10.519 1.549 -1.604 1.00 0.00 C ATOM 628 CE2 TYR A 41 12.625 2.089 -2.599 1.00 0.00 C ATOM 629 CZ TYR A 41 11.742 2.143 -1.567 1.00 0.00 C ATOM 630 OH TYR A 41 12.098 2.823 -0.445 1.00 0.00 O ATOM 0 H TYR A 41 9.622 -0.733 -7.305 1.00 0.00 H new ATOM 0 HA TYR A 41 8.514 -0.340 -4.574 1.00 0.00 H new ATOM 0 HB2 TYR A 41 10.935 -1.047 -5.025 1.00 0.00 H new ATOM 0 HB3 TYR A 41 11.145 0.410 -5.976 1.00 0.00 H new ATOM 0 HD1 TYR A 41 9.176 0.347 -2.849 1.00 0.00 H new ATOM 0 HD2 TYR A 41 12.927 1.310 -4.625 1.00 0.00 H new ATOM 0 HE1 TYR A 41 9.847 1.616 -0.761 1.00 0.00 H new ATOM 0 HE2 TYR A 41 13.587 2.574 -2.529 1.00 0.00 H new ATOM 0 HH TYR A 41 11.920 3.778 -0.571 1.00 0.00 H new ATOM 640 N VAL A 42 8.204 2.121 -4.673 1.00 0.00 N ATOM 641 CA VAL A 42 7.762 3.499 -4.808 1.00 0.00 C ATOM 642 C VAL A 42 8.738 4.258 -5.710 1.00 0.00 C ATOM 643 O VAL A 42 8.352 5.211 -6.385 1.00 0.00 O ATOM 644 CB VAL A 42 7.606 4.136 -3.425 1.00 0.00 C ATOM 645 CG1 VAL A 42 7.974 5.620 -3.461 1.00 0.00 C ATOM 646 CG2 VAL A 42 6.189 3.935 -2.885 1.00 0.00 C ATOM 0 H VAL A 42 8.110 1.733 -3.734 1.00 0.00 H new ATOM 0 HA VAL A 42 6.782 3.541 -5.283 1.00 0.00 H new ATOM 0 HB VAL A 42 8.297 3.636 -2.746 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.855 6.049 -2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.010 5.730 -3.782 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.320 6.140 -4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.106 4.397 -1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.472 4.396 -3.564 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.978 2.869 -2.804 1.00 0.00 H new ATOM 656 N MET A 43 9.983 3.808 -5.690 1.00 0.00 N ATOM 657 CA MET A 43 11.018 4.432 -6.497 1.00 0.00 C ATOM 658 C MET A 43 10.547 4.619 -7.941 1.00 0.00 C ATOM 659 O MET A 43 11.101 5.435 -8.677 1.00 0.00 O ATOM 660 CB MET A 43 12.276 3.562 -6.479 1.00 0.00 C ATOM 661 CG MET A 43 13.539 4.422 -6.544 1.00 0.00 C ATOM 662 SD MET A 43 14.877 3.606 -5.692 1.00 0.00 S ATOM 663 CE MET A 43 15.235 4.825 -4.436 1.00 0.00 C ATOM 0 H MET A 43 10.299 3.018 -5.127 1.00 0.00 H new ATOM 0 HA MET A 43 11.239 5.413 -6.076 1.00 0.00 H new ATOM 0 HB2 MET A 43 12.291 2.956 -5.573 1.00 0.00 H new ATOM 0 HB3 MET A 43 12.258 2.872 -7.323 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.814 4.601 -7.583 1.00 0.00 H new ATOM 0 HG3 MET A 43 13.350 5.396 -6.092 1.00 0.00 H new ATOM 0 HE1 MET A 43 16.054 4.472 -3.809 1.00 0.00 H new ATOM 0 HE2 MET A 43 15.520 5.764 -4.911 1.00 0.00 H new ATOM 0 HE3 MET A 43 14.350 4.984 -3.820 1.00 0.00 H new ATOM 673 N THR A 44 9.530 3.852 -8.302 1.00 0.00 N ATOM 674 CA THR A 44 8.979 3.923 -9.646 1.00 0.00 C ATOM 675 C THR A 44 7.559 4.490 -9.609 1.00 0.00 C ATOM 676 O THR A 44 7.228 5.396 -10.373 1.00 0.00 O ATOM 677 CB THR A 44 9.060 2.527 -10.264 1.00 0.00 C ATOM 678 OG1 THR A 44 10.362 2.479 -10.844 1.00 0.00 O ATOM 679 CG2 THR A 44 8.116 2.360 -11.457 1.00 0.00 C ATOM 0 H THR A 44 9.072 3.178 -7.688 1.00 0.00 H new ATOM 0 HA THR A 44 9.552 4.605 -10.274 1.00 0.00 H new ATOM 0 HB THR A 44 8.824 1.780 -9.506 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.500 1.605 -11.266 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.213 1.351 -11.859 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.088 2.525 -11.134 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.374 3.085 -12.229 1.00 0.00 H new ATOM 687 N ASP A 45 6.756 3.932 -8.715 1.00 0.00 N ATOM 688 CA ASP A 45 5.378 4.371 -8.569 1.00 0.00 C ATOM 689 C ASP A 45 5.105 4.703 -7.099 1.00 0.00 C ATOM 690 O ASP A 45 4.786 3.816 -6.309 1.00 0.00 O ATOM 691 CB ASP A 45 4.403 3.272 -8.994 1.00 0.00 C ATOM 692 CG ASP A 45 3.109 3.772 -9.643 1.00 0.00 C ATOM 693 OD1 ASP A 45 2.246 4.260 -8.882 1.00 0.00 O ATOM 694 OD2 ASP A 45 3.014 3.654 -10.883 1.00 0.00 O ATOM 0 H ASP A 45 7.033 3.180 -8.084 1.00 0.00 H new ATOM 0 HA ASP A 45 5.234 5.246 -9.202 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.910 2.608 -9.694 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.146 2.676 -8.118 1.00 0.00 H new ATOM 699 N ARG A 46 5.243 5.981 -6.779 1.00 0.00 N ATOM 700 CA ARG A 46 5.015 6.440 -5.420 1.00 0.00 C ATOM 701 C ARG A 46 3.515 6.529 -5.134 1.00 0.00 C ATOM 702 O ARG A 46 3.060 6.148 -4.056 1.00 0.00 O ATOM 703 CB ARG A 46 5.654 7.811 -5.187 1.00 0.00 C ATOM 704 CG ARG A 46 5.234 8.389 -3.835 1.00 0.00 C ATOM 705 CD ARG A 46 4.587 9.766 -4.005 1.00 0.00 C ATOM 706 NE ARG A 46 4.069 10.246 -2.703 1.00 0.00 N ATOM 707 CZ ARG A 46 3.835 11.533 -2.417 1.00 0.00 C ATOM 708 NH1 ARG A 46 4.073 12.478 -3.337 1.00 0.00 N ATOM 709 NH2 ARG A 46 3.364 11.877 -1.210 1.00 0.00 N ATOM 0 H ARG A 46 5.510 6.713 -7.438 1.00 0.00 H new ATOM 0 HA ARG A 46 5.475 5.718 -4.745 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.740 7.722 -5.227 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.361 8.493 -5.985 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.533 7.711 -3.348 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.104 8.470 -3.184 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.317 10.474 -4.399 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.775 9.709 -4.730 1.00 0.00 H new ATOM 0 HE ARG A 46 3.879 9.553 -1.979 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.432 12.217 -4.255 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.895 13.458 -3.119 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.184 11.158 -0.509 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.186 12.858 -0.993 1.00 0.00 H new ATOM 723 N LEU A 47 2.787 7.038 -6.117 1.00 0.00 N ATOM 724 CA LEU A 47 1.348 7.182 -5.985 1.00 0.00 C ATOM 725 C LEU A 47 0.758 5.887 -5.423 1.00 0.00 C ATOM 726 O LEU A 47 -0.087 5.921 -4.529 1.00 0.00 O ATOM 727 CB LEU A 47 0.726 7.613 -7.316 1.00 0.00 C ATOM 728 CG LEU A 47 1.491 8.686 -8.095 1.00 0.00 C ATOM 729 CD1 LEU A 47 2.156 9.684 -7.146 1.00 0.00 C ATOM 730 CD2 LEU A 47 2.497 8.053 -9.059 1.00 0.00 C ATOM 0 H LEU A 47 3.167 7.356 -7.008 1.00 0.00 H new ATOM 0 HA LEU A 47 1.110 7.975 -5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.627 6.732 -7.951 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.281 7.981 -7.122 1.00 0.00 H new ATOM 0 HG LEU A 47 0.775 9.244 -8.698 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.693 10.435 -7.726 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.394 10.171 -6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.856 9.158 -6.497 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.026 8.838 -9.599 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.213 7.454 -8.496 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.969 7.416 -9.769 1.00 0.00 H new ATOM 742 N ALA A 48 1.226 4.776 -5.970 1.00 0.00 N ATOM 743 CA ALA A 48 0.757 3.471 -5.535 1.00 0.00 C ATOM 744 C ALA A 48 0.999 3.322 -4.032 1.00 0.00 C ATOM 745 O ALA A 48 0.217 2.680 -3.334 1.00 0.00 O ATOM 746 CB ALA A 48 1.453 2.379 -6.350 1.00 0.00 C ATOM 0 H ALA A 48 1.926 4.752 -6.712 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.315 3.372 -5.707 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.101 1.401 -6.023 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.224 2.512 -7.407 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.531 2.445 -6.201 1.00 0.00 H new ATOM 752 N GLY A 49 2.088 3.926 -3.579 1.00 0.00 N ATOM 753 CA GLY A 49 2.445 3.869 -2.171 1.00 0.00 C ATOM 754 C GLY A 49 1.586 4.831 -1.348 1.00 0.00 C ATOM 755 O GLY A 49 1.428 4.652 -0.141 1.00 0.00 O ATOM 0 H GLY A 49 2.735 4.457 -4.162 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.315 2.852 -1.800 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.498 4.121 -2.049 1.00 0.00 H new ATOM 759 N CYS A 50 1.055 5.832 -2.034 1.00 0.00 N ATOM 760 CA CYS A 50 0.216 6.825 -1.382 1.00 0.00 C ATOM 761 C CYS A 50 -1.225 6.313 -1.385 1.00 0.00 C ATOM 762 O CYS A 50 -1.942 6.460 -0.396 1.00 0.00 O ATOM 763 CB CYS A 50 0.336 8.196 -2.052 1.00 0.00 C ATOM 764 SG CYS A 50 1.467 9.364 -1.214 1.00 0.00 S ATOM 0 H CYS A 50 1.189 5.978 -3.035 1.00 0.00 H new ATOM 0 HA CYS A 50 0.548 6.966 -0.354 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.677 8.055 -3.078 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -0.655 8.647 -2.105 1.00 0.00 H new ATOM 769 N ALA A 51 -1.606 5.720 -2.507 1.00 0.00 N ATOM 770 CA ALA A 51 -2.951 5.185 -2.651 1.00 0.00 C ATOM 771 C ALA A 51 -3.213 4.173 -1.533 1.00 0.00 C ATOM 772 O ALA A 51 -4.251 4.225 -0.874 1.00 0.00 O ATOM 773 CB ALA A 51 -3.108 4.571 -4.043 1.00 0.00 C ATOM 0 H ALA A 51 -1.008 5.598 -3.324 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.693 5.978 -2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.116 4.170 -4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.939 5.337 -4.800 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.382 3.768 -4.171 1.00 0.00 H new ATOM 779 N ILE A 52 -2.257 3.275 -1.355 1.00 0.00 N ATOM 780 CA ILE A 52 -2.372 2.252 -0.328 1.00 0.00 C ATOM 781 C ILE A 52 -2.337 2.913 1.050 1.00 0.00 C ATOM 782 O ILE A 52 -3.019 2.471 1.973 1.00 0.00 O ATOM 783 CB ILE A 52 -1.304 1.174 -0.522 1.00 0.00 C ATOM 784 CG1 ILE A 52 -1.938 -0.209 -0.668 1.00 0.00 C ATOM 785 CG2 ILE A 52 -0.272 1.216 0.606 1.00 0.00 C ATOM 786 CD1 ILE A 52 -2.842 -0.526 0.526 1.00 0.00 C ATOM 0 H ILE A 52 -1.398 3.233 -1.904 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.329 1.736 -0.410 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.774 1.383 -1.451 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.518 -0.252 -1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.157 -0.965 -0.748 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.476 0.440 0.444 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.214 2.191 0.618 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.770 1.047 1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.281 -1.515 0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.253 -0.506 1.443 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.636 0.218 0.589 1.00 0.00 H new ATOM 798 N ASN A 53 -1.531 3.961 1.147 1.00 0.00 N ATOM 799 CA ASN A 53 -1.397 4.687 2.400 1.00 0.00 C ATOM 800 C ASN A 53 -2.775 5.180 2.849 1.00 0.00 C ATOM 801 O ASN A 53 -3.162 4.985 3.999 1.00 0.00 O ATOM 802 CB ASN A 53 -0.489 5.907 2.233 1.00 0.00 C ATOM 803 CG ASN A 53 0.705 5.837 3.186 1.00 0.00 C ATOM 804 OD1 ASN A 53 0.735 6.462 4.234 1.00 0.00 O ATOM 805 ND2 ASN A 53 1.686 5.042 2.766 1.00 0.00 N ATOM 0 H ASN A 53 -0.965 4.324 0.380 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.963 4.012 3.137 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -0.134 5.963 1.204 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -1.058 6.817 2.424 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.527 4.927 3.332 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.597 4.547 1.878 1.00 0.00 H new ATOM 812 N CYS A 54 -3.475 5.808 1.917 1.00 0.00 N ATOM 813 CA CYS A 54 -4.800 6.330 2.202 1.00 0.00 C ATOM 814 C CYS A 54 -5.758 5.148 2.364 1.00 0.00 C ATOM 815 O CYS A 54 -6.717 5.221 3.132 1.00 0.00 O ATOM 816 CB CYS A 54 -5.272 7.301 1.118 1.00 0.00 C ATOM 817 SG CYS A 54 -4.960 6.747 -0.599 1.00 0.00 S ATOM 0 H CYS A 54 -3.150 5.967 0.963 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.774 6.906 3.127 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.342 7.469 1.242 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.779 8.261 1.270 1.00 0.00 H new ATOM 822 N LEU A 55 -5.465 4.085 1.629 1.00 0.00 N ATOM 823 CA LEU A 55 -6.287 2.888 1.681 1.00 0.00 C ATOM 824 C LEU A 55 -6.689 2.614 3.132 1.00 0.00 C ATOM 825 O LEU A 55 -7.740 2.028 3.389 1.00 0.00 O ATOM 826 CB LEU A 55 -5.570 1.715 1.009 1.00 0.00 C ATOM 827 CG LEU A 55 -6.441 0.503 0.670 1.00 0.00 C ATOM 828 CD1 LEU A 55 -7.048 -0.106 1.936 1.00 0.00 C ATOM 829 CD2 LEU A 55 -7.509 0.866 -0.361 1.00 0.00 C ATOM 0 H LEU A 55 -4.669 4.028 0.994 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.208 3.033 1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.109 2.075 0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.762 1.386 1.663 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.806 -0.259 0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.662 -0.965 1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.249 -0.426 2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.665 0.639 2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.114 -0.013 -0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.148 1.654 0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.029 1.217 -1.274 1.00 0.00 H new ATOM 841 N ALA A 56 -5.831 3.052 4.043 1.00 0.00 N ATOM 842 CA ALA A 56 -6.084 2.860 5.460 1.00 0.00 C ATOM 843 C ALA A 56 -7.359 3.608 5.853 1.00 0.00 C ATOM 844 O ALA A 56 -7.886 3.415 6.948 1.00 0.00 O ATOM 845 CB ALA A 56 -4.866 3.322 6.263 1.00 0.00 C ATOM 0 H ALA A 56 -4.961 3.539 3.827 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.240 1.804 5.682 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.056 3.178 7.327 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.993 2.739 5.968 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.680 4.378 6.067 1.00 0.00 H new ATOM 851 N THR A 57 -7.820 4.448 4.937 1.00 0.00 N ATOM 852 CA THR A 57 -9.025 5.226 5.173 1.00 0.00 C ATOM 853 C THR A 57 -9.788 4.674 6.379 1.00 0.00 C ATOM 854 O THR A 57 -9.955 5.368 7.382 1.00 0.00 O ATOM 855 CB THR A 57 -9.846 5.228 3.882 1.00 0.00 C ATOM 856 OG1 THR A 57 -9.924 3.853 3.517 1.00 0.00 O ATOM 857 CG2 THR A 57 -9.103 5.883 2.716 1.00 0.00 C ATOM 0 H THR A 57 -7.381 4.607 4.030 1.00 0.00 H new ATOM 0 HA THR A 57 -8.787 6.259 5.425 1.00 0.00 H new ATOM 0 HB THR A 57 -10.787 5.751 4.052 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.677 3.720 2.904 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.730 5.858 1.825 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.871 6.918 2.968 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.177 5.341 2.524 1.00 0.00 H new ATOM 865 N LYS A 58 -10.229 3.434 6.242 1.00 0.00 N ATOM 866 CA LYS A 58 -10.971 2.781 7.307 1.00 0.00 C ATOM 867 C LYS A 58 -10.156 1.604 7.844 1.00 0.00 C ATOM 868 O LYS A 58 -10.215 0.504 7.296 1.00 0.00 O ATOM 869 CB LYS A 58 -12.371 2.393 6.826 1.00 0.00 C ATOM 870 CG LYS A 58 -13.341 3.569 6.957 1.00 0.00 C ATOM 871 CD LYS A 58 -13.913 3.654 8.372 1.00 0.00 C ATOM 872 CE LYS A 58 -14.727 4.936 8.559 1.00 0.00 C ATOM 873 NZ LYS A 58 -13.952 5.935 9.327 1.00 0.00 N ATOM 0 H LYS A 58 -10.087 2.863 5.409 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.125 3.467 8.140 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.325 2.069 5.786 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.738 1.548 7.408 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.826 4.498 6.713 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.153 3.456 6.239 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.544 2.787 8.565 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.101 3.625 9.099 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.998 5.347 7.586 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.657 4.710 9.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.519 6.799 9.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.715 5.546 10.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.076 6.163 8.815 1.00 0.00 H new ATOM 887 N LEU A 59 -9.413 1.873 8.907 1.00 0.00 N ATOM 888 CA LEU A 59 -8.588 0.849 9.523 1.00 0.00 C ATOM 889 C LEU A 59 -9.476 -0.311 9.978 1.00 0.00 C ATOM 890 O LEU A 59 -8.982 -1.403 10.259 1.00 0.00 O ATOM 891 CB LEU A 59 -7.737 1.449 10.645 1.00 0.00 C ATOM 892 CG LEU A 59 -6.237 1.563 10.363 1.00 0.00 C ATOM 893 CD1 LEU A 59 -5.984 2.189 8.991 1.00 0.00 C ATOM 894 CD2 LEU A 59 -5.525 2.323 11.483 1.00 0.00 C ATOM 0 H LEU A 59 -9.365 2.787 9.358 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.881 0.444 8.799 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.120 2.444 10.872 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.873 0.843 11.541 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.815 0.558 10.340 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.911 2.259 8.815 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.439 1.569 8.219 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.422 3.187 8.960 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.461 2.390 11.258 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.942 3.327 11.564 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.664 1.795 12.426 1.00 0.00 H new ATOM 906 N ASP A 60 -10.770 -0.036 10.036 1.00 0.00 N ATOM 907 CA ASP A 60 -11.731 -1.043 10.453 1.00 0.00 C ATOM 908 C ASP A 60 -11.815 -2.134 9.384 1.00 0.00 C ATOM 909 O ASP A 60 -12.189 -3.269 9.677 1.00 0.00 O ATOM 910 CB ASP A 60 -13.127 -0.437 10.619 1.00 0.00 C ATOM 911 CG ASP A 60 -13.172 0.872 11.410 1.00 0.00 C ATOM 912 OD1 ASP A 60 -12.484 0.930 12.452 1.00 0.00 O ATOM 913 OD2 ASP A 60 -13.895 1.784 10.954 1.00 0.00 O ATOM 0 H ASP A 60 -11.176 0.870 9.801 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.399 -1.452 11.407 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.551 -0.262 9.630 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.767 -1.166 11.115 1.00 0.00 H new ATOM 918 N VAL A 61 -11.459 -1.753 8.166 1.00 0.00 N ATOM 919 CA VAL A 61 -11.490 -2.686 7.051 1.00 0.00 C ATOM 920 C VAL A 61 -10.241 -3.568 7.097 1.00 0.00 C ATOM 921 O VAL A 61 -10.318 -4.772 6.855 1.00 0.00 O ATOM 922 CB VAL A 61 -11.634 -1.921 5.733 1.00 0.00 C ATOM 923 CG1 VAL A 61 -12.589 -0.736 5.888 1.00 0.00 C ATOM 924 CG2 VAL A 61 -10.270 -1.462 5.214 1.00 0.00 C ATOM 0 H VAL A 61 -11.148 -0.812 7.926 1.00 0.00 H new ATOM 0 HA VAL A 61 -12.356 -3.344 7.126 1.00 0.00 H new ATOM 0 HB VAL A 61 -12.061 -2.601 4.996 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -12.673 -0.210 4.937 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -13.572 -1.098 6.191 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -12.204 -0.055 6.647 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.401 -0.921 4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.803 -0.807 5.949 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.634 -2.331 5.046 1.00 0.00 H new ATOM 934 N VAL A 62 -9.119 -2.935 7.409 1.00 0.00 N ATOM 935 CA VAL A 62 -7.855 -3.649 7.488 1.00 0.00 C ATOM 936 C VAL A 62 -7.749 -4.338 8.850 1.00 0.00 C ATOM 937 O VAL A 62 -7.372 -5.506 8.932 1.00 0.00 O ATOM 938 CB VAL A 62 -6.695 -2.691 7.210 1.00 0.00 C ATOM 939 CG1 VAL A 62 -6.319 -2.702 5.727 1.00 0.00 C ATOM 940 CG2 VAL A 62 -7.029 -1.274 7.682 1.00 0.00 C ATOM 0 H VAL A 62 -9.059 -1.937 7.610 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.806 -4.426 6.726 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.831 -3.037 7.777 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.492 -2.013 5.556 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.019 -3.708 5.435 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.178 -2.393 5.132 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.188 -0.613 7.473 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.913 -0.914 7.156 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.224 -1.284 8.754 1.00 0.00 H new ATOM 950 N ASP A 63 -8.087 -3.585 9.887 1.00 0.00 N ATOM 951 CA ASP A 63 -8.035 -4.108 11.241 1.00 0.00 C ATOM 952 C ASP A 63 -9.412 -3.963 11.893 1.00 0.00 C ATOM 953 O ASP A 63 -9.809 -2.862 12.272 1.00 0.00 O ATOM 954 CB ASP A 63 -7.026 -3.335 12.091 1.00 0.00 C ATOM 955 CG ASP A 63 -7.302 -1.836 12.221 1.00 0.00 C ATOM 956 OD1 ASP A 63 -6.863 -1.096 11.313 1.00 0.00 O ATOM 957 OD2 ASP A 63 -7.946 -1.463 13.225 1.00 0.00 O ATOM 0 H ASP A 63 -8.398 -2.616 9.816 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.735 -5.154 11.187 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.004 -3.773 13.089 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.033 -3.470 11.662 1.00 0.00 H new ATOM 962 N PRO A 64 -10.118 -5.119 12.009 1.00 0.00 N ATOM 963 CA PRO A 64 -11.441 -5.130 12.609 1.00 0.00 C ATOM 964 C PRO A 64 -11.355 -4.992 14.130 1.00 0.00 C ATOM 965 O PRO A 64 -12.129 -4.250 14.733 1.00 0.00 O ATOM 966 CB PRO A 64 -12.062 -6.446 12.167 1.00 0.00 C ATOM 967 CG PRO A 64 -10.903 -7.325 11.726 1.00 0.00 C ATOM 968 CD PRO A 64 -9.678 -6.440 11.572 1.00 0.00 C ATOM 0 HA PRO A 64 -12.054 -4.287 12.290 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.616 -6.910 12.983 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -12.767 -6.291 11.351 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -10.718 -8.109 12.461 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.137 -7.820 10.784 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.849 -6.802 12.180 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.331 -6.420 10.539 1.00 0.00 H new ATOM 976 N ASP A 65 -10.405 -5.715 14.705 1.00 0.00 N ATOM 977 CA ASP A 65 -10.208 -5.682 16.144 1.00 0.00 C ATOM 978 C ASP A 65 -8.871 -5.005 16.455 1.00 0.00 C ATOM 979 O ASP A 65 -8.466 -4.927 17.614 1.00 0.00 O ATOM 980 CB ASP A 65 -10.170 -7.095 16.728 1.00 0.00 C ATOM 981 CG ASP A 65 -11.297 -7.419 17.712 1.00 0.00 C ATOM 982 OD1 ASP A 65 -12.316 -6.697 17.664 1.00 0.00 O ATOM 983 OD2 ASP A 65 -11.113 -8.380 18.488 1.00 0.00 O ATOM 0 H ASP A 65 -9.764 -6.327 14.200 1.00 0.00 H new ATOM 0 HA ASP A 65 -11.039 -5.132 16.586 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.207 -7.812 15.908 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.215 -7.238 17.233 1.00 0.00 H new ATOM 988 N GLY A 66 -8.223 -4.535 15.400 1.00 0.00 N ATOM 989 CA GLY A 66 -6.941 -3.868 15.546 1.00 0.00 C ATOM 990 C GLY A 66 -5.790 -4.803 15.167 1.00 0.00 C ATOM 991 O GLY A 66 -4.747 -4.807 15.819 1.00 0.00 O ATOM 0 H GLY A 66 -8.562 -4.603 14.440 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.915 -2.980 14.915 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.817 -3.532 16.575 1.00 0.00 H new ATOM 995 N ASN A 67 -6.019 -5.571 14.111 1.00 0.00 N ATOM 996 CA ASN A 67 -5.014 -6.509 13.638 1.00 0.00 C ATOM 997 C ASN A 67 -3.688 -5.772 13.441 1.00 0.00 C ATOM 998 O ASN A 67 -2.623 -6.322 13.712 1.00 0.00 O ATOM 999 CB ASN A 67 -5.422 -7.118 12.294 1.00 0.00 C ATOM 1000 CG ASN A 67 -4.350 -8.083 11.783 1.00 0.00 C ATOM 1001 OD1 ASN A 67 -3.330 -7.487 11.174 1.00 0.00 O flip ATOM 1002 ND2 ASN A 67 -4.443 -9.291 11.933 1.00 0.00 N flip ATOM 0 H ASN A 67 -6.884 -5.563 13.571 1.00 0.00 H new ATOM 0 HA ASN A 67 -4.915 -7.302 14.379 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.370 -7.645 12.402 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.580 -6.324 11.564 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.254 -9.685 12.411 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.710 -9.907 11.581 1.00 0.00 H new ATOM 1009 N LEU A 68 -3.797 -4.538 12.971 1.00 0.00 N ATOM 1010 CA LEU A 68 -2.620 -3.721 12.735 1.00 0.00 C ATOM 1011 C LEU A 68 -3.053 -2.284 12.442 1.00 0.00 C ATOM 1012 O LEU A 68 -4.237 -1.958 12.525 1.00 0.00 O ATOM 1013 CB LEU A 68 -1.751 -4.337 11.637 1.00 0.00 C ATOM 1014 CG LEU A 68 -2.080 -3.916 10.204 1.00 0.00 C ATOM 1015 CD1 LEU A 68 -3.473 -3.289 10.124 1.00 0.00 C ATOM 1016 CD2 LEU A 68 -1.001 -2.987 9.644 1.00 0.00 C ATOM 0 H LEU A 68 -4.683 -4.085 12.747 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.993 -3.690 13.626 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.711 -4.082 11.839 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.832 -5.422 11.703 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.092 -4.809 9.579 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.683 -2.998 9.095 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.217 -4.013 10.455 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.513 -2.408 10.765 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.259 -2.703 8.624 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.933 -2.093 10.264 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.041 -3.503 9.645 1.00 0.00 H new ATOM 1028 N HIS A 69 -2.071 -1.460 12.103 1.00 0.00 N ATOM 1029 CA HIS A 69 -2.335 -0.066 11.796 1.00 0.00 C ATOM 1030 C HIS A 69 -1.357 0.419 10.724 1.00 0.00 C ATOM 1031 O HIS A 69 -0.157 0.517 10.973 1.00 0.00 O ATOM 1032 CB HIS A 69 -2.294 0.788 13.065 1.00 0.00 C ATOM 1033 CG HIS A 69 -3.496 0.614 13.962 1.00 0.00 C ATOM 1034 ND1 HIS A 69 -3.948 -0.475 14.647 1.00 0.00 N flip ATOM 1035 CD2 HIS A 69 -4.386 1.640 14.229 1.00 0.00 C flip ATOM 1036 CE1 HIS A 69 -5.052 -0.133 15.300 1.00 0.00 C flip ATOM 1037 NE2 HIS A 69 -5.326 1.178 15.041 1.00 0.00 N flip ATOM 0 H HIS A 69 -1.091 -1.733 12.035 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.342 0.035 11.392 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -1.394 0.540 13.628 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.214 1.838 12.782 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -4.325 2.646 13.841 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.637 -0.785 15.932 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -6.116 1.709 15.408 1.00 0.00 H new ATOM 1046 N HIS A 70 -1.907 0.712 9.555 1.00 0.00 N ATOM 1047 CA HIS A 70 -1.098 1.182 8.444 1.00 0.00 C ATOM 1048 C HIS A 70 -0.019 2.134 8.964 1.00 0.00 C ATOM 1049 O HIS A 70 -0.274 2.939 9.857 1.00 0.00 O ATOM 1050 CB HIS A 70 -1.977 1.816 7.362 1.00 0.00 C ATOM 1051 CG HIS A 70 -1.468 1.605 5.956 1.00 0.00 C ATOM 1052 ND1 HIS A 70 -1.859 0.535 5.171 1.00 0.00 N ATOM 1053 CD2 HIS A 70 -0.598 2.337 5.204 1.00 0.00 C ATOM 1054 CE1 HIS A 70 -1.244 0.628 4.001 1.00 0.00 C ATOM 1055 NE2 HIS A 70 -0.463 1.746 4.024 1.00 0.00 N ATOM 0 H HIS A 70 -2.904 0.633 9.353 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.594 0.338 7.973 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -2.983 1.405 7.439 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -2.055 2.886 7.553 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.102 3.244 5.516 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.344 -0.060 3.175 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.128 2.074 3.260 1.00 0.00 H new ATOM 1064 N GLY A 71 1.165 2.010 8.380 1.00 0.00 N ATOM 1065 CA GLY A 71 2.283 2.849 8.774 1.00 0.00 C ATOM 1066 C GLY A 71 2.953 2.312 10.040 1.00 0.00 C ATOM 1067 O GLY A 71 4.180 2.240 10.117 1.00 0.00 O ATOM 0 H GLY A 71 1.373 1.342 7.638 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.011 2.894 7.964 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.935 3.867 8.947 1.00 0.00 H new ATOM 1071 N ASN A 72 2.119 1.949 11.003 1.00 0.00 N ATOM 1072 CA ASN A 72 2.614 1.422 12.263 1.00 0.00 C ATOM 1073 C ASN A 72 1.880 0.120 12.590 1.00 0.00 C ATOM 1074 O ASN A 72 0.945 0.115 13.389 1.00 0.00 O ATOM 1075 CB ASN A 72 2.365 2.406 13.408 1.00 0.00 C ATOM 1076 CG ASN A 72 3.057 1.939 14.691 1.00 0.00 C ATOM 1077 OD1 ASN A 72 3.905 1.064 14.687 1.00 0.00 O ATOM 1078 ND2 ASN A 72 2.646 2.573 15.788 1.00 0.00 N ATOM 0 H ASN A 72 1.103 2.010 10.936 1.00 0.00 H new ATOM 0 HA ASN A 72 3.686 1.253 12.160 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.733 3.394 13.130 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.293 2.503 13.583 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.046 2.334 16.695 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.931 3.297 15.721 1.00 0.00 H new ATOM 1085 N ALA A 73 2.332 -0.952 11.956 1.00 0.00 N ATOM 1086 CA ALA A 73 1.729 -2.256 12.169 1.00 0.00 C ATOM 1087 C ALA A 73 1.841 -2.629 13.648 1.00 0.00 C ATOM 1088 O ALA A 73 2.913 -2.523 14.240 1.00 0.00 O ATOM 1089 CB ALA A 73 2.400 -3.285 11.257 1.00 0.00 C ATOM 0 H ALA A 73 3.109 -0.944 11.295 1.00 0.00 H new ATOM 0 HA ALA A 73 0.670 -2.235 11.913 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.947 -4.263 11.417 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.267 -2.990 10.216 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.464 -3.336 11.487 1.00 0.00 H new ATOM 1095 N LYS A 74 0.717 -3.060 14.204 1.00 0.00 N ATOM 1096 CA LYS A 74 0.675 -3.449 15.603 1.00 0.00 C ATOM 1097 C LYS A 74 1.640 -4.613 15.833 1.00 0.00 C ATOM 1098 O LYS A 74 2.167 -5.185 14.881 1.00 0.00 O ATOM 1099 CB LYS A 74 -0.762 -3.748 16.034 1.00 0.00 C ATOM 1100 CG LYS A 74 -0.957 -3.474 17.526 1.00 0.00 C ATOM 1101 CD LYS A 74 -2.076 -2.456 17.756 1.00 0.00 C ATOM 1102 CE LYS A 74 -1.741 -1.526 18.923 1.00 0.00 C ATOM 1103 NZ LYS A 74 -2.932 -1.314 19.777 1.00 0.00 N ATOM 0 H LYS A 74 -0.171 -3.148 13.710 1.00 0.00 H new ATOM 0 HA LYS A 74 1.009 -2.627 16.237 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.454 -3.136 15.455 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.001 -4.789 15.818 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.195 -4.404 18.042 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.027 -3.101 17.955 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.229 -1.868 16.851 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.011 -2.978 17.959 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.933 -1.954 19.516 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.385 -0.569 18.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.686 -0.680 20.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.693 -0.885 19.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.255 -2.227 20.156 1.00 0.00 H new ATOM 1117 N ASP A 75 1.843 -4.928 17.104 1.00 0.00 N ATOM 1118 CA ASP A 75 2.737 -6.014 17.472 1.00 0.00 C ATOM 1119 C ASP A 75 2.078 -7.351 17.124 1.00 0.00 C ATOM 1120 O ASP A 75 2.656 -8.411 17.357 1.00 0.00 O ATOM 1121 CB ASP A 75 3.024 -6.006 18.974 1.00 0.00 C ATOM 1122 CG ASP A 75 4.272 -5.225 19.391 1.00 0.00 C ATOM 1123 OD1 ASP A 75 4.832 -4.541 18.508 1.00 0.00 O ATOM 1124 OD2 ASP A 75 4.636 -5.331 20.582 1.00 0.00 O ATOM 0 H ASP A 75 1.404 -4.451 17.892 1.00 0.00 H new ATOM 0 HA ASP A 75 3.671 -5.882 16.926 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.161 -5.586 19.491 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.128 -7.036 19.314 1.00 0.00 H new ATOM 1129 N PHE A 76 0.879 -7.256 16.570 1.00 0.00 N ATOM 1130 CA PHE A 76 0.136 -8.444 16.187 1.00 0.00 C ATOM 1131 C PHE A 76 0.240 -8.696 14.681 1.00 0.00 C ATOM 1132 O PHE A 76 0.192 -9.841 14.234 1.00 0.00 O ATOM 1133 CB PHE A 76 -1.329 -8.192 16.548 1.00 0.00 C ATOM 1134 CG PHE A 76 -2.117 -9.463 16.879 1.00 0.00 C ATOM 1135 CD1 PHE A 76 -2.017 -10.022 18.114 1.00 0.00 C ATOM 1136 CD2 PHE A 76 -2.917 -10.030 15.938 1.00 0.00 C ATOM 1137 CE1 PHE A 76 -2.748 -11.200 18.420 1.00 0.00 C ATOM 1138 CE2 PHE A 76 -3.647 -11.208 16.243 1.00 0.00 C ATOM 1139 CZ PHE A 76 -3.547 -11.769 17.479 1.00 0.00 C ATOM 0 H PHE A 76 0.403 -6.375 16.377 1.00 0.00 H new ATOM 0 HA PHE A 76 0.539 -9.315 16.703 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.371 -7.518 17.404 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.815 -7.682 15.716 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.382 -9.570 18.862 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.997 -9.584 14.958 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.669 -11.644 19.401 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.282 -11.659 15.495 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.102 -12.666 17.712 1.00 0.00 H new ATOM 1149 N ALA A 77 0.383 -7.606 13.940 1.00 0.00 N ATOM 1150 CA ALA A 77 0.495 -7.694 12.495 1.00 0.00 C ATOM 1151 C ALA A 77 1.703 -8.559 12.133 1.00 0.00 C ATOM 1152 O ALA A 77 1.550 -9.720 11.757 1.00 0.00 O ATOM 1153 CB ALA A 77 0.589 -6.286 11.904 1.00 0.00 C ATOM 0 H ALA A 77 0.424 -6.658 14.314 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.389 -8.168 12.070 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.673 -6.352 10.819 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.306 -5.721 12.165 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.467 -5.781 12.306 1.00 0.00 H new ATOM 1159 N MET A 78 2.879 -7.960 12.260 1.00 0.00 N ATOM 1160 CA MET A 78 4.113 -8.663 11.950 1.00 0.00 C ATOM 1161 C MET A 78 4.451 -9.683 13.040 1.00 0.00 C ATOM 1162 O MET A 78 5.605 -9.800 13.449 1.00 0.00 O ATOM 1163 CB MET A 78 5.256 -7.654 11.823 1.00 0.00 C ATOM 1164 CG MET A 78 5.797 -7.261 13.200 1.00 0.00 C ATOM 1165 SD MET A 78 4.469 -6.660 14.229 1.00 0.00 S ATOM 1166 CE MET A 78 4.404 -7.964 15.446 1.00 0.00 C ATOM 0 H MET A 78 3.003 -6.997 12.573 1.00 0.00 H new ATOM 0 HA MET A 78 3.980 -9.196 11.008 1.00 0.00 H new ATOM 0 HB2 MET A 78 6.058 -8.082 11.222 1.00 0.00 H new ATOM 0 HB3 MET A 78 4.904 -6.765 11.299 1.00 0.00 H new ATOM 0 HG2 MET A 78 6.273 -8.121 13.672 1.00 0.00 H new ATOM 0 HG3 MET A 78 6.562 -6.492 13.093 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.436 -8.462 15.394 1.00 0.00 H new ATOM 0 HE2 MET A 78 5.195 -8.687 15.247 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.541 -7.540 16.441 1.00 0.00 H new ATOM 1176 N LYS A 79 3.423 -10.397 13.476 1.00 0.00 N ATOM 1177 CA LYS A 79 3.597 -11.403 14.510 1.00 0.00 C ATOM 1178 C LYS A 79 2.702 -12.605 14.201 1.00 0.00 C ATOM 1179 O LYS A 79 3.180 -13.735 14.122 1.00 0.00 O ATOM 1180 CB LYS A 79 3.357 -10.797 15.893 1.00 0.00 C ATOM 1181 CG LYS A 79 3.137 -11.891 16.941 1.00 0.00 C ATOM 1182 CD LYS A 79 1.707 -11.853 17.483 1.00 0.00 C ATOM 1183 CE LYS A 79 1.675 -11.296 18.907 1.00 0.00 C ATOM 1184 NZ LYS A 79 0.561 -11.896 19.675 1.00 0.00 N ATOM 0 H LYS A 79 2.468 -10.299 13.132 1.00 0.00 H new ATOM 0 HA LYS A 79 4.625 -11.765 14.521 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.211 -10.182 16.178 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.488 -10.140 15.860 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.336 -12.867 16.500 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.844 -11.761 17.761 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.085 -11.237 16.834 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.283 -12.857 17.472 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.622 -11.504 19.406 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.561 -10.212 18.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.644 -11.626 20.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.345 -11.552 19.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.600 -12.932 19.592 1.00 0.00 H new ATOM 1198 N HIS A 80 1.419 -12.319 14.032 1.00 0.00 N ATOM 1199 CA HIS A 80 0.454 -13.362 13.733 1.00 0.00 C ATOM 1200 C HIS A 80 0.669 -13.867 12.305 1.00 0.00 C ATOM 1201 O HIS A 80 0.020 -14.819 11.875 1.00 0.00 O ATOM 1202 CB HIS A 80 -0.973 -12.868 13.979 1.00 0.00 C ATOM 1203 CG HIS A 80 -1.561 -12.090 12.825 1.00 0.00 C ATOM 1204 ND1 HIS A 80 -0.796 -11.292 11.992 1.00 0.00 N ATOM 1205 CD2 HIS A 80 -2.845 -11.996 12.376 1.00 0.00 C ATOM 1206 CE1 HIS A 80 -1.593 -10.746 11.087 1.00 0.00 C ATOM 1207 NE2 HIS A 80 -2.863 -11.183 11.326 1.00 0.00 N ATOM 0 H HIS A 80 1.026 -11.380 14.097 1.00 0.00 H new ATOM 0 HA HIS A 80 0.605 -14.206 14.406 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.612 -13.725 14.189 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.981 -12.239 14.869 1.00 0.00 H new ATOM 0 HD1 HIS A 80 0.211 -11.149 12.063 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -3.702 -12.497 12.802 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -1.291 -10.073 10.298 1.00 0.00 H new ATOM 1216 N GLY A 81 1.582 -13.205 11.609 1.00 0.00 N ATOM 1217 CA GLY A 81 1.891 -13.575 10.237 1.00 0.00 C ATOM 1218 C GLY A 81 3.310 -13.145 9.861 1.00 0.00 C ATOM 1219 O GLY A 81 3.534 -12.610 8.776 1.00 0.00 O ATOM 0 H GLY A 81 2.118 -12.415 11.969 1.00 0.00 H new ATOM 0 HA2 GLY A 81 1.790 -14.653 10.116 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.174 -13.109 9.560 1.00 0.00 H new ATOM 1223 N ALA A 82 4.232 -13.396 10.779 1.00 0.00 N ATOM 1224 CA ALA A 82 5.624 -13.042 10.557 1.00 0.00 C ATOM 1225 C ALA A 82 6.510 -14.246 10.882 1.00 0.00 C ATOM 1226 O ALA A 82 6.326 -14.898 11.910 1.00 0.00 O ATOM 1227 CB ALA A 82 5.980 -11.814 11.395 1.00 0.00 C ATOM 0 H ALA A 82 4.043 -13.840 11.678 1.00 0.00 H new ATOM 0 HA ALA A 82 5.791 -12.782 9.512 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.024 -11.550 11.228 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.343 -10.978 11.105 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.827 -12.037 12.451 1.00 0.00 H new ATOM 1233 N ASP A 83 7.453 -14.508 9.987 1.00 0.00 N ATOM 1234 CA ASP A 83 8.367 -15.622 10.167 1.00 0.00 C ATOM 1235 C ASP A 83 9.397 -15.264 11.239 1.00 0.00 C ATOM 1236 O ASP A 83 9.813 -14.110 11.346 1.00 0.00 O ATOM 1237 CB ASP A 83 9.121 -15.930 8.873 1.00 0.00 C ATOM 1238 CG ASP A 83 8.511 -17.042 8.017 1.00 0.00 C ATOM 1239 OD1 ASP A 83 7.874 -17.935 8.617 1.00 0.00 O ATOM 1240 OD2 ASP A 83 8.693 -16.975 6.783 1.00 0.00 O ATOM 0 H ASP A 83 7.603 -13.967 9.135 1.00 0.00 H new ATOM 0 HA ASP A 83 7.782 -16.493 10.460 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.173 -15.020 8.276 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.145 -16.206 9.124 1.00 0.00 H new ATOM 1245 N GLU A 84 9.779 -16.272 12.010 1.00 0.00 N ATOM 1246 CA GLU A 84 10.752 -16.077 13.071 1.00 0.00 C ATOM 1247 C GLU A 84 11.924 -15.232 12.568 1.00 0.00 C ATOM 1248 O GLU A 84 12.508 -14.461 13.327 1.00 0.00 O ATOM 1249 CB GLU A 84 11.241 -17.418 13.620 1.00 0.00 C ATOM 1250 CG GLU A 84 10.914 -17.554 15.109 1.00 0.00 C ATOM 1251 CD GLU A 84 11.475 -18.859 15.677 1.00 0.00 C ATOM 1252 OE1 GLU A 84 12.696 -18.883 15.944 1.00 0.00 O ATOM 1253 OE2 GLU A 84 10.671 -19.803 15.832 1.00 0.00 O ATOM 0 H GLU A 84 9.432 -17.227 11.921 1.00 0.00 H new ATOM 0 HA GLU A 84 10.267 -15.542 13.887 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.775 -18.233 13.066 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.317 -17.505 13.471 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.330 -16.707 15.655 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.834 -17.526 15.252 1.00 0.00 H new ATOM 1260 N THR A 85 12.233 -15.405 11.290 1.00 0.00 N ATOM 1261 CA THR A 85 13.323 -14.668 10.677 1.00 0.00 C ATOM 1262 C THR A 85 12.891 -13.232 10.373 1.00 0.00 C ATOM 1263 O THR A 85 13.640 -12.288 10.624 1.00 0.00 O ATOM 1264 CB THR A 85 13.777 -15.441 9.437 1.00 0.00 C ATOM 1265 OG1 THR A 85 15.013 -14.827 9.080 1.00 0.00 O ATOM 1266 CG2 THR A 85 12.873 -15.192 8.227 1.00 0.00 C ATOM 0 H THR A 85 11.746 -16.046 10.663 1.00 0.00 H new ATOM 0 HA THR A 85 14.173 -14.582 11.354 1.00 0.00 H new ATOM 0 HB THR A 85 13.797 -16.508 9.661 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.380 -15.268 8.285 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.240 -15.764 7.375 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.856 -15.504 8.463 1.00 0.00 H new ATOM 0 HG23 THR A 85 12.879 -14.130 7.981 1.00 0.00 H new ATOM 1274 N MET A 86 11.686 -13.111 9.836 1.00 0.00 N ATOM 1275 CA MET A 86 11.146 -11.805 9.496 1.00 0.00 C ATOM 1276 C MET A 86 11.153 -10.875 10.711 1.00 0.00 C ATOM 1277 O MET A 86 11.146 -9.654 10.563 1.00 0.00 O ATOM 1278 CB MET A 86 9.713 -11.963 8.981 1.00 0.00 C ATOM 1279 CG MET A 86 8.698 -11.664 10.085 1.00 0.00 C ATOM 1280 SD MET A 86 8.343 -9.915 10.129 1.00 0.00 S ATOM 1281 CE MET A 86 8.287 -9.654 11.894 1.00 0.00 C ATOM 0 H MET A 86 11.068 -13.895 9.628 1.00 0.00 H new ATOM 0 HA MET A 86 11.773 -11.364 8.721 1.00 0.00 H new ATOM 0 HB2 MET A 86 9.549 -11.290 8.139 1.00 0.00 H new ATOM 0 HB3 MET A 86 9.565 -12.978 8.611 1.00 0.00 H new ATOM 0 HG2 MET A 86 7.781 -12.226 9.909 1.00 0.00 H new ATOM 0 HG3 MET A 86 9.090 -11.988 11.049 1.00 0.00 H new ATOM 0 HE1 MET A 86 7.278 -9.365 12.187 1.00 0.00 H new ATOM 0 HE2 MET A 86 8.565 -10.575 12.407 1.00 0.00 H new ATOM 0 HE3 MET A 86 8.985 -8.862 12.167 1.00 0.00 H new ATOM 1291 N ALA A 87 11.166 -11.489 11.885 1.00 0.00 N ATOM 1292 CA ALA A 87 11.172 -10.730 13.125 1.00 0.00 C ATOM 1293 C ALA A 87 12.424 -9.852 13.173 1.00 0.00 C ATOM 1294 O ALA A 87 12.332 -8.644 13.388 1.00 0.00 O ATOM 1295 CB ALA A 87 11.090 -11.692 14.312 1.00 0.00 C ATOM 0 H ALA A 87 11.173 -12.502 12.004 1.00 0.00 H new ATOM 0 HA ALA A 87 10.305 -10.072 13.177 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.094 -11.124 15.242 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.170 -12.273 14.246 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.947 -12.366 14.294 1.00 0.00 H new ATOM 1301 N GLN A 88 13.567 -10.493 12.971 1.00 0.00 N ATOM 1302 CA GLN A 88 14.836 -9.785 12.990 1.00 0.00 C ATOM 1303 C GLN A 88 15.203 -9.320 11.578 1.00 0.00 C ATOM 1304 O GLN A 88 15.625 -8.181 11.387 1.00 0.00 O ATOM 1305 CB GLN A 88 15.941 -10.657 13.585 1.00 0.00 C ATOM 1306 CG GLN A 88 17.311 -9.999 13.412 1.00 0.00 C ATOM 1307 CD GLN A 88 18.241 -10.878 12.573 1.00 0.00 C ATOM 1308 OE1 GLN A 88 17.959 -10.873 11.272 1.00 0.00 O flip ATOM 1309 NE2 GLN A 88 19.152 -11.516 13.070 1.00 0.00 N flip ATOM 0 H GLN A 88 13.640 -11.495 12.793 1.00 0.00 H new ATOM 0 HA GLN A 88 14.732 -8.906 13.626 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.746 -10.826 14.644 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.939 -11.634 13.101 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.193 -9.027 12.933 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.758 -9.820 14.390 1.00 0.00 H new ATOM 0 HE21 GLN A 88 19.314 -11.475 14.076 1.00 0.00 H new ATOM 0 HE22 GLN A 88 19.753 -12.091 12.480 1.00 0.00 H new ATOM 1318 N GLN A 89 15.031 -10.226 10.627 1.00 0.00 N ATOM 1319 CA GLN A 89 15.340 -9.923 9.240 1.00 0.00 C ATOM 1320 C GLN A 89 14.858 -8.515 8.884 1.00 0.00 C ATOM 1321 O GLN A 89 15.662 -7.648 8.546 1.00 0.00 O ATOM 1322 CB GLN A 89 14.727 -10.965 8.301 1.00 0.00 C ATOM 1323 CG GLN A 89 15.550 -12.255 8.303 1.00 0.00 C ATOM 1324 CD GLN A 89 16.997 -11.983 7.885 1.00 0.00 C ATOM 1325 OE1 GLN A 89 17.141 -11.673 6.600 1.00 0.00 O flip ATOM 1326 NE2 GLN A 89 17.921 -12.048 8.679 1.00 0.00 N flip ATOM 0 H GLN A 89 14.682 -11.170 10.790 1.00 0.00 H new ATOM 0 HA GLN A 89 16.422 -9.959 9.113 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.704 -11.181 8.610 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.676 -10.563 7.289 1.00 0.00 H new ATOM 0 HG2 GLN A 89 15.533 -12.700 9.298 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.101 -12.978 7.622 1.00 0.00 H new ATOM 0 HE21 GLN A 89 17.740 -12.292 9.653 1.00 0.00 H new ATOM 0 HE22 GLN A 89 18.874 -11.858 8.369 1.00 0.00 H new ATOM 1335 N LEU A 90 13.549 -8.331 8.973 1.00 0.00 N ATOM 1336 CA LEU A 90 12.951 -7.043 8.665 1.00 0.00 C ATOM 1337 C LEU A 90 13.712 -5.943 9.407 1.00 0.00 C ATOM 1338 O LEU A 90 14.025 -4.902 8.831 1.00 0.00 O ATOM 1339 CB LEU A 90 11.452 -7.064 8.964 1.00 0.00 C ATOM 1340 CG LEU A 90 10.556 -7.642 7.867 1.00 0.00 C ATOM 1341 CD1 LEU A 90 10.957 -9.080 7.534 1.00 0.00 C ATOM 1342 CD2 LEU A 90 9.079 -7.532 8.249 1.00 0.00 C ATOM 0 H LEU A 90 12.885 -9.053 9.254 1.00 0.00 H new ATOM 0 HA LEU A 90 13.036 -6.827 7.600 1.00 0.00 H new ATOM 0 HB2 LEU A 90 11.292 -7.639 9.876 1.00 0.00 H new ATOM 0 HB3 LEU A 90 11.129 -6.044 9.169 1.00 0.00 H new ATOM 0 HG LEU A 90 10.698 -7.050 6.963 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.305 -9.468 6.751 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.990 -9.099 7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 90 10.862 -9.700 8.426 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.465 -7.950 7.452 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.900 -8.083 9.172 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.818 -6.484 8.396 1.00 0.00 H new ATOM 1354 N VAL A 91 13.988 -6.209 10.675 1.00 0.00 N ATOM 1355 CA VAL A 91 14.706 -5.254 11.502 1.00 0.00 C ATOM 1356 C VAL A 91 16.025 -4.886 10.821 1.00 0.00 C ATOM 1357 O VAL A 91 16.642 -3.877 11.158 1.00 0.00 O ATOM 1358 CB VAL A 91 14.897 -5.821 12.911 1.00 0.00 C ATOM 1359 CG1 VAL A 91 16.336 -5.624 13.390 1.00 0.00 C ATOM 1360 CG2 VAL A 91 13.902 -5.201 13.892 1.00 0.00 C ATOM 0 H VAL A 91 13.727 -7.073 11.150 1.00 0.00 H new ATOM 0 HA VAL A 91 14.130 -4.335 11.612 1.00 0.00 H new ATOM 0 HB VAL A 91 14.701 -6.893 12.870 1.00 0.00 H new ATOM 0 HG11 VAL A 91 16.445 -6.035 14.393 1.00 0.00 H new ATOM 0 HG12 VAL A 91 17.019 -6.136 12.712 1.00 0.00 H new ATOM 0 HG13 VAL A 91 16.571 -4.560 13.407 1.00 0.00 H new ATOM 0 HG21 VAL A 91 14.060 -5.622 14.885 1.00 0.00 H new ATOM 0 HG22 VAL A 91 14.050 -4.122 13.927 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.885 -5.417 13.564 1.00 0.00 H new ATOM 1370 N ASP A 92 16.420 -5.727 9.876 1.00 0.00 N ATOM 1371 CA ASP A 92 17.655 -5.504 9.144 1.00 0.00 C ATOM 1372 C ASP A 92 17.448 -4.374 8.132 1.00 0.00 C ATOM 1373 O ASP A 92 18.020 -3.295 8.276 1.00 0.00 O ATOM 1374 CB ASP A 92 18.074 -6.757 8.373 1.00 0.00 C ATOM 1375 CG ASP A 92 19.519 -6.756 7.871 1.00 0.00 C ATOM 1376 OD1 ASP A 92 20.350 -6.097 8.536 1.00 0.00 O ATOM 1377 OD2 ASP A 92 19.761 -7.411 6.836 1.00 0.00 O ATOM 0 H ASP A 92 15.906 -6.564 9.601 1.00 0.00 H new ATOM 0 HA ASP A 92 18.431 -5.248 9.865 1.00 0.00 H new ATOM 0 HB2 ASP A 92 17.929 -7.626 9.015 1.00 0.00 H new ATOM 0 HB3 ASP A 92 17.409 -6.878 7.518 1.00 0.00 H new ATOM 1382 N ILE A 93 16.627 -4.663 7.133 1.00 0.00 N ATOM 1383 CA ILE A 93 16.335 -3.685 6.099 1.00 0.00 C ATOM 1384 C ILE A 93 15.542 -2.527 6.706 1.00 0.00 C ATOM 1385 O ILE A 93 15.861 -1.361 6.474 1.00 0.00 O ATOM 1386 CB ILE A 93 15.638 -4.353 4.911 1.00 0.00 C ATOM 1387 CG1 ILE A 93 14.116 -4.263 5.049 1.00 0.00 C ATOM 1388 CG2 ILE A 93 16.114 -5.796 4.737 1.00 0.00 C ATOM 1389 CD1 ILE A 93 13.590 -5.324 6.016 1.00 0.00 C ATOM 0 H ILE A 93 16.155 -5.560 7.018 1.00 0.00 H new ATOM 0 HA ILE A 93 17.259 -3.264 5.702 1.00 0.00 H new ATOM 0 HB ILE A 93 15.912 -3.813 4.005 1.00 0.00 H new ATOM 0 HG12 ILE A 93 13.838 -3.271 5.405 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.650 -4.393 4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 93 15.603 -6.247 3.886 1.00 0.00 H new ATOM 0 HG22 ILE A 93 17.190 -5.806 4.561 1.00 0.00 H new ATOM 0 HG23 ILE A 93 15.889 -6.365 5.639 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.506 -5.238 6.096 1.00 0.00 H new ATOM 0 HD12 ILE A 93 13.849 -6.315 5.644 1.00 0.00 H new ATOM 0 HD13 ILE A 93 14.039 -5.176 6.998 1.00 0.00 H new ATOM 1401 N ILE A 94 14.523 -2.886 7.473 1.00 0.00 N ATOM 1402 CA ILE A 94 13.682 -1.892 8.114 1.00 0.00 C ATOM 1403 C ILE A 94 14.562 -0.912 8.894 1.00 0.00 C ATOM 1404 O ILE A 94 14.168 0.229 9.130 1.00 0.00 O ATOM 1405 CB ILE A 94 12.608 -2.569 8.970 1.00 0.00 C ATOM 1406 CG1 ILE A 94 11.717 -3.473 8.116 1.00 0.00 C ATOM 1407 CG2 ILE A 94 11.796 -1.534 9.751 1.00 0.00 C ATOM 1408 CD1 ILE A 94 10.239 -3.239 8.429 1.00 0.00 C ATOM 0 H ILE A 94 14.261 -3.853 7.665 1.00 0.00 H new ATOM 0 HA ILE A 94 13.142 -1.311 7.366 1.00 0.00 H new ATOM 0 HB ILE A 94 13.105 -3.206 9.702 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.904 -3.280 7.060 1.00 0.00 H new ATOM 0 HG13 ILE A 94 11.970 -4.517 8.299 1.00 0.00 H new ATOM 0 HG21 ILE A 94 11.040 -2.041 10.351 1.00 0.00 H new ATOM 0 HG22 ILE A 94 12.460 -0.969 10.406 1.00 0.00 H new ATOM 0 HG23 ILE A 94 11.309 -0.853 9.054 1.00 0.00 H new ATOM 0 HD11 ILE A 94 9.628 -3.894 7.808 1.00 0.00 H new ATOM 0 HD12 ILE A 94 10.051 -3.456 9.481 1.00 0.00 H new ATOM 0 HD13 ILE A 94 9.983 -2.200 8.222 1.00 0.00 H new ATOM 1420 N HIS A 95 15.737 -1.394 9.273 1.00 0.00 N ATOM 1421 CA HIS A 95 16.674 -0.575 10.020 1.00 0.00 C ATOM 1422 C HIS A 95 17.347 0.426 9.078 1.00 0.00 C ATOM 1423 O HIS A 95 17.710 1.525 9.493 1.00 0.00 O ATOM 1424 CB HIS A 95 17.682 -1.450 10.770 1.00 0.00 C ATOM 1425 CG HIS A 95 17.366 -1.632 12.236 1.00 0.00 C ATOM 1426 ND1 HIS A 95 16.196 -1.947 12.863 1.00 0.00 N flip ATOM 1427 CD2 HIS A 95 18.315 -1.484 13.232 1.00 0.00 C flip ATOM 1428 CE1 HIS A 95 16.420 -1.993 14.171 1.00 0.00 C flip ATOM 1429 NE2 HIS A 95 17.733 -1.705 14.401 1.00 0.00 N flip ATOM 0 H HIS A 95 16.060 -2.341 9.076 1.00 0.00 H new ATOM 0 HA HIS A 95 16.138 -0.004 10.778 1.00 0.00 H new ATOM 0 HB2 HIS A 95 17.723 -2.429 10.293 1.00 0.00 H new ATOM 0 HB3 HIS A 95 18.674 -1.007 10.675 1.00 0.00 H new ATOM 0 HD2 HIS A 95 19.354 -1.231 13.082 1.00 0.00 H new ATOM 0 HE1 HIS A 95 15.684 -2.221 14.928 1.00 0.00 H new ATOM 0 HE2 HIS A 95 18.187 -1.667 15.313 1.00 0.00 H new ATOM 1438 N GLY A 96 17.490 0.009 7.829 1.00 0.00 N ATOM 1439 CA GLY A 96 18.112 0.857 6.824 1.00 0.00 C ATOM 1440 C GLY A 96 17.076 1.756 6.148 1.00 0.00 C ATOM 1441 O GLY A 96 17.415 2.815 5.624 1.00 0.00 O ATOM 0 H GLY A 96 17.187 -0.904 7.489 1.00 0.00 H new ATOM 0 HA2 GLY A 96 18.884 1.471 7.288 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.605 0.237 6.075 1.00 0.00 H new ATOM 1445 N CYS A 97 15.831 1.301 6.182 1.00 0.00 N ATOM 1446 CA CYS A 97 14.743 2.052 5.580 1.00 0.00 C ATOM 1447 C CYS A 97 14.160 2.987 6.640 1.00 0.00 C ATOM 1448 O CYS A 97 14.179 4.206 6.475 1.00 0.00 O ATOM 1449 CB CYS A 97 13.677 1.126 4.988 1.00 0.00 C ATOM 1450 SG CYS A 97 13.670 1.036 3.161 1.00 0.00 S ATOM 0 H CYS A 97 15.552 0.422 6.617 1.00 0.00 H new ATOM 0 HA CYS A 97 15.123 2.642 4.746 1.00 0.00 H new ATOM 0 HB2 CYS A 97 13.825 0.122 5.387 1.00 0.00 H new ATOM 0 HB3 CYS A 97 12.696 1.461 5.325 1.00 0.00 H new ATOM 1455 N GLU A 98 13.655 2.382 7.705 1.00 0.00 N ATOM 1456 CA GLU A 98 13.067 3.147 8.792 1.00 0.00 C ATOM 1457 C GLU A 98 13.972 4.324 9.163 1.00 0.00 C ATOM 1458 O GLU A 98 13.488 5.386 9.551 1.00 0.00 O ATOM 1459 CB GLU A 98 12.800 2.256 10.007 1.00 0.00 C ATOM 1460 CG GLU A 98 11.838 2.935 10.984 1.00 0.00 C ATOM 1461 CD GLU A 98 12.581 3.924 11.887 1.00 0.00 C ATOM 1462 OE1 GLU A 98 13.621 3.512 12.444 1.00 0.00 O ATOM 1463 OE2 GLU A 98 12.091 5.068 11.999 1.00 0.00 O ATOM 0 H GLU A 98 13.641 1.371 7.839 1.00 0.00 H new ATOM 0 HA GLU A 98 12.109 3.543 8.455 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.380 1.305 9.680 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.740 2.033 10.512 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.059 3.458 10.429 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.342 2.181 11.595 1.00 0.00 H new ATOM 1470 N LYS A 99 15.270 4.095 9.030 1.00 0.00 N ATOM 1471 CA LYS A 99 16.247 5.123 9.346 1.00 0.00 C ATOM 1472 C LYS A 99 16.229 6.192 8.252 1.00 0.00 C ATOM 1473 O LYS A 99 16.490 7.364 8.521 1.00 0.00 O ATOM 1474 CB LYS A 99 17.626 4.500 9.574 1.00 0.00 C ATOM 1475 CG LYS A 99 18.295 4.148 8.244 1.00 0.00 C ATOM 1476 CD LYS A 99 19.544 5.001 8.015 1.00 0.00 C ATOM 1477 CE LYS A 99 19.439 5.785 6.705 1.00 0.00 C ATOM 1478 NZ LYS A 99 20.428 6.886 6.681 1.00 0.00 N ATOM 0 H LYS A 99 15.668 3.213 8.708 1.00 0.00 H new ATOM 0 HA LYS A 99 15.988 5.619 10.281 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.256 5.195 10.129 1.00 0.00 H new ATOM 0 HB3 LYS A 99 17.527 3.602 10.184 1.00 0.00 H new ATOM 0 HG2 LYS A 99 18.565 3.092 8.237 1.00 0.00 H new ATOM 0 HG3 LYS A 99 17.590 4.302 7.427 1.00 0.00 H new ATOM 0 HD2 LYS A 99 19.674 5.692 8.847 1.00 0.00 H new ATOM 0 HD3 LYS A 99 20.426 4.361 7.991 1.00 0.00 H new ATOM 0 HE2 LYS A 99 19.608 5.118 5.860 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.433 6.189 6.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 20.344 7.409 5.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 20.249 7.531 7.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 21.387 6.493 6.764 1.00 0.00 H new ATOM 1492 N SER A 100 15.916 5.750 7.043 1.00 0.00 N ATOM 1493 CA SER A 100 15.859 6.655 5.908 1.00 0.00 C ATOM 1494 C SER A 100 14.420 7.119 5.679 1.00 0.00 C ATOM 1495 O SER A 100 14.173 8.012 4.870 1.00 0.00 O ATOM 1496 CB SER A 100 16.410 5.989 4.645 1.00 0.00 C ATOM 1497 OG SER A 100 17.489 6.727 4.078 1.00 0.00 O ATOM 0 H SER A 100 15.699 4.777 6.825 1.00 0.00 H new ATOM 0 HA SER A 100 16.481 7.522 6.131 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.747 4.981 4.885 1.00 0.00 H new ATOM 0 HB3 SER A 100 15.612 5.891 3.909 1.00 0.00 H new ATOM 0 HG SER A 100 17.813 6.268 3.275 1.00 0.00 H new ATOM 1503 N ALA A 101 13.508 6.491 6.406 1.00 0.00 N ATOM 1504 CA ALA A 101 12.099 6.828 6.292 1.00 0.00 C ATOM 1505 C ALA A 101 11.595 7.353 7.638 1.00 0.00 C ATOM 1506 O ALA A 101 10.949 6.623 8.390 1.00 0.00 O ATOM 1507 CB ALA A 101 11.317 5.603 5.814 1.00 0.00 C ATOM 0 H ALA A 101 13.717 5.751 7.076 1.00 0.00 H new ATOM 0 HA ALA A 101 11.951 7.616 5.554 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.260 5.856 5.729 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.694 5.287 4.841 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.439 4.791 6.531 1.00 0.00 H new ATOM 1513 N PRO A 102 11.915 8.646 7.908 1.00 0.00 N ATOM 1514 CA PRO A 102 11.501 9.276 9.150 1.00 0.00 C ATOM 1515 C PRO A 102 10.009 9.615 9.122 1.00 0.00 C ATOM 1516 O PRO A 102 9.360 9.488 8.086 1.00 0.00 O ATOM 1517 CB PRO A 102 12.387 10.505 9.282 1.00 0.00 C ATOM 1518 CG PRO A 102 12.939 10.772 7.891 1.00 0.00 C ATOM 1519 CD PRO A 102 12.678 9.539 7.040 1.00 0.00 C ATOM 0 HA PRO A 102 11.619 8.621 10.014 1.00 0.00 H new ATOM 0 HB2 PRO A 102 11.817 11.360 9.647 1.00 0.00 H new ATOM 0 HB3 PRO A 102 13.193 10.331 9.995 1.00 0.00 H new ATOM 0 HG2 PRO A 102 12.460 11.647 7.452 1.00 0.00 H new ATOM 0 HG3 PRO A 102 14.007 10.984 7.939 1.00 0.00 H new ATOM 0 HD2 PRO A 102 12.118 9.790 6.139 1.00 0.00 H new ATOM 0 HD3 PRO A 102 13.610 9.076 6.717 1.00 0.00 H new ATOM 1527 N PRO A 103 9.498 10.053 10.303 1.00 0.00 N ATOM 1528 CA PRO A 103 8.095 10.412 10.424 1.00 0.00 C ATOM 1529 C PRO A 103 7.816 11.764 9.763 1.00 0.00 C ATOM 1530 O PRO A 103 7.108 12.599 10.324 1.00 0.00 O ATOM 1531 CB PRO A 103 7.817 10.414 11.919 1.00 0.00 C ATOM 1532 CG PRO A 103 9.174 10.512 12.596 1.00 0.00 C ATOM 1533 CD PRO A 103 10.238 10.218 11.551 1.00 0.00 C ATOM 0 HA PRO A 103 7.436 9.712 9.910 1.00 0.00 H new ATOM 0 HB2 PRO A 103 7.181 11.254 12.197 1.00 0.00 H new ATOM 0 HB3 PRO A 103 7.295 9.506 12.220 1.00 0.00 H new ATOM 0 HG2 PRO A 103 9.319 11.506 13.019 1.00 0.00 H new ATOM 0 HG3 PRO A 103 9.242 9.802 13.420 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.958 11.033 11.479 1.00 0.00 H new ATOM 0 HD3 PRO A 103 10.799 9.318 11.800 1.00 0.00 H new ATOM 1541 N ASN A 104 8.387 11.936 8.580 1.00 0.00 N ATOM 1542 CA ASN A 104 8.208 13.173 7.836 1.00 0.00 C ATOM 1543 C ASN A 104 6.720 13.372 7.537 1.00 0.00 C ATOM 1544 O ASN A 104 5.975 12.403 7.403 1.00 0.00 O ATOM 1545 CB ASN A 104 8.956 13.126 6.503 1.00 0.00 C ATOM 1546 CG ASN A 104 9.457 14.515 6.106 1.00 0.00 C ATOM 1547 OD1 ASN A 104 8.809 15.524 6.330 1.00 0.00 O ATOM 1548 ND2 ASN A 104 10.644 14.511 5.507 1.00 0.00 N ATOM 0 H ASN A 104 8.973 11.241 8.118 1.00 0.00 H new ATOM 0 HA ASN A 104 8.600 13.991 8.441 1.00 0.00 H new ATOM 0 HB2 ASN A 104 9.799 12.440 6.579 1.00 0.00 H new ATOM 0 HB3 ASN A 104 8.298 12.737 5.726 1.00 0.00 H new ATOM 0 HD21 ASN A 104 11.065 15.389 5.204 1.00 0.00 H new ATOM 0 HD22 ASN A 104 11.133 13.630 5.350 1.00 0.00 H new ATOM 1555 N ASP A 105 6.333 14.636 7.444 1.00 0.00 N ATOM 1556 CA ASP A 105 4.949 14.974 7.164 1.00 0.00 C ATOM 1557 C ASP A 105 4.487 14.223 5.913 1.00 0.00 C ATOM 1558 O ASP A 105 3.307 13.908 5.775 1.00 0.00 O ATOM 1559 CB ASP A 105 4.791 16.474 6.899 1.00 0.00 C ATOM 1560 CG ASP A 105 4.310 17.294 8.097 1.00 0.00 C ATOM 1561 OD1 ASP A 105 3.370 16.819 8.770 1.00 0.00 O ATOM 1562 OD2 ASP A 105 4.893 18.378 8.314 1.00 0.00 O ATOM 0 H ASP A 105 6.954 15.437 7.558 1.00 0.00 H new ATOM 0 HA ASP A 105 4.352 14.695 8.032 1.00 0.00 H new ATOM 0 HB2 ASP A 105 5.750 16.872 6.567 1.00 0.00 H new ATOM 0 HB3 ASP A 105 4.087 16.611 6.078 1.00 0.00 H new ATOM 1567 N ASP A 106 5.442 13.959 5.034 1.00 0.00 N ATOM 1568 CA ASP A 106 5.148 13.251 3.799 1.00 0.00 C ATOM 1569 C ASP A 106 5.148 11.745 4.069 1.00 0.00 C ATOM 1570 O ASP A 106 5.455 10.953 3.179 1.00 0.00 O ATOM 1571 CB ASP A 106 6.207 13.541 2.733 1.00 0.00 C ATOM 1572 CG ASP A 106 5.655 13.804 1.330 1.00 0.00 C ATOM 1573 OD1 ASP A 106 4.579 14.431 1.252 1.00 0.00 O ATOM 1574 OD2 ASP A 106 6.325 13.369 0.366 1.00 0.00 O ATOM 0 H ASP A 106 6.420 14.222 5.152 1.00 0.00 H new ATOM 0 HA ASP A 106 4.175 13.586 3.440 1.00 0.00 H new ATOM 0 HB2 ASP A 106 6.789 14.407 3.047 1.00 0.00 H new ATOM 0 HB3 ASP A 106 6.894 12.696 2.685 1.00 0.00 H new ATOM 1579 N LYS A 107 4.797 11.396 5.297 1.00 0.00 N ATOM 1580 CA LYS A 107 4.752 9.999 5.694 1.00 0.00 C ATOM 1581 C LYS A 107 4.154 9.169 4.557 1.00 0.00 C ATOM 1582 O LYS A 107 4.480 7.993 4.403 1.00 0.00 O ATOM 1583 CB LYS A 107 4.011 9.843 7.024 1.00 0.00 C ATOM 1584 CG LYS A 107 2.562 10.320 6.903 1.00 0.00 C ATOM 1585 CD LYS A 107 1.702 9.753 8.035 1.00 0.00 C ATOM 1586 CE LYS A 107 0.221 9.746 7.649 1.00 0.00 C ATOM 1587 NZ LYS A 107 -0.602 10.299 8.748 1.00 0.00 N ATOM 0 H LYS A 107 4.541 12.056 6.031 1.00 0.00 H new ATOM 0 HA LYS A 107 5.759 9.621 5.870 1.00 0.00 H new ATOM 0 HB2 LYS A 107 4.029 8.798 7.334 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.522 10.414 7.799 1.00 0.00 H new ATOM 0 HG2 LYS A 107 2.531 11.409 6.928 1.00 0.00 H new ATOM 0 HG3 LYS A 107 2.153 10.011 5.941 1.00 0.00 H new ATOM 0 HD2 LYS A 107 2.025 8.739 8.269 1.00 0.00 H new ATOM 0 HD3 LYS A 107 1.843 10.348 8.937 1.00 0.00 H new ATOM 0 HE2 LYS A 107 0.072 10.334 6.743 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.098 8.728 7.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -1.604 10.287 8.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -0.473 9.721 9.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -0.308 11.277 8.943 1.00 0.00 H new ATOM 1601 N CYS A 108 3.290 9.814 3.788 1.00 0.00 N ATOM 1602 CA CYS A 108 2.643 9.151 2.668 1.00 0.00 C ATOM 1603 C CYS A 108 3.725 8.493 1.810 1.00 0.00 C ATOM 1604 O CYS A 108 3.594 7.332 1.422 1.00 0.00 O ATOM 1605 CB CYS A 108 1.782 10.120 1.856 1.00 0.00 C ATOM 1606 SG CYS A 108 0.620 9.322 0.688 1.00 0.00 S ATOM 0 H CYS A 108 3.022 10.790 3.918 1.00 0.00 H new ATOM 0 HA CYS A 108 1.960 8.387 3.040 1.00 0.00 H new ATOM 0 HB2 CYS A 108 1.212 10.742 2.546 1.00 0.00 H new ATOM 0 HB3 CYS A 108 2.439 10.785 1.295 1.00 0.00 H new ATOM 1611 N MET A 109 4.769 9.260 1.540 1.00 0.00 N ATOM 1612 CA MET A 109 5.874 8.766 0.735 1.00 0.00 C ATOM 1613 C MET A 109 7.060 8.369 1.615 1.00 0.00 C ATOM 1614 O MET A 109 8.033 7.795 1.131 1.00 0.00 O ATOM 1615 CB MET A 109 6.313 9.850 -0.253 1.00 0.00 C ATOM 1616 CG MET A 109 7.499 9.378 -1.094 1.00 0.00 C ATOM 1617 SD MET A 109 7.786 10.517 -2.438 1.00 0.00 S ATOM 1618 CE MET A 109 8.822 9.508 -3.484 1.00 0.00 C ATOM 0 H MET A 109 4.874 10.221 1.864 1.00 0.00 H new ATOM 0 HA MET A 109 5.536 7.883 0.193 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.480 10.110 -0.906 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.586 10.754 0.291 1.00 0.00 H new ATOM 0 HG2 MET A 109 8.391 9.305 -0.471 1.00 0.00 H new ATOM 0 HG3 MET A 109 7.302 8.381 -1.487 1.00 0.00 H new ATOM 0 HE1 MET A 109 9.729 10.057 -3.736 1.00 0.00 H new ATOM 0 HE2 MET A 109 9.087 8.591 -2.958 1.00 0.00 H new ATOM 0 HE3 MET A 109 8.283 9.259 -4.398 1.00 0.00 H new ATOM 1628 N LYS A 110 6.939 8.689 2.896 1.00 0.00 N ATOM 1629 CA LYS A 110 7.989 8.373 3.849 1.00 0.00 C ATOM 1630 C LYS A 110 7.736 6.982 4.436 1.00 0.00 C ATOM 1631 O LYS A 110 8.364 6.008 4.024 1.00 0.00 O ATOM 1632 CB LYS A 110 8.104 9.474 4.905 1.00 0.00 C ATOM 1633 CG LYS A 110 9.566 9.861 5.136 1.00 0.00 C ATOM 1634 CD LYS A 110 10.070 10.788 4.027 1.00 0.00 C ATOM 1635 CE LYS A 110 11.056 10.061 3.112 1.00 0.00 C ATOM 1636 NZ LYS A 110 10.599 10.120 1.706 1.00 0.00 N ATOM 0 H LYS A 110 6.129 9.164 3.295 1.00 0.00 H new ATOM 0 HA LYS A 110 8.958 8.339 3.351 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.538 10.349 4.586 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.662 9.133 5.841 1.00 0.00 H new ATOM 0 HG2 LYS A 110 9.667 10.356 6.102 1.00 0.00 H new ATOM 0 HG3 LYS A 110 10.182 8.963 5.172 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.226 11.153 3.442 1.00 0.00 H new ATOM 0 HD3 LYS A 110 10.553 11.660 4.468 1.00 0.00 H new ATOM 0 HE2 LYS A 110 12.044 10.514 3.199 1.00 0.00 H new ATOM 0 HE3 LYS A 110 11.154 9.022 3.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 11.280 9.622 1.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 9.666 9.667 1.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 10.529 11.113 1.405 1.00 0.00 H new ATOM 1650 N THR A 111 6.817 6.935 5.388 1.00 0.00 N ATOM 1651 CA THR A 111 6.475 5.681 6.037 1.00 0.00 C ATOM 1652 C THR A 111 6.318 4.569 4.997 1.00 0.00 C ATOM 1653 O THR A 111 6.818 3.461 5.186 1.00 0.00 O ATOM 1654 CB THR A 111 5.216 5.909 6.876 1.00 0.00 C ATOM 1655 OG1 THR A 111 5.462 7.147 7.538 1.00 0.00 O ATOM 1656 CG2 THR A 111 5.078 4.898 8.015 1.00 0.00 C ATOM 0 H THR A 111 6.298 7.745 5.726 1.00 0.00 H new ATOM 0 HA THR A 111 7.272 5.351 6.704 1.00 0.00 H new ATOM 0 HB THR A 111 4.337 5.852 6.234 1.00 0.00 H new ATOM 0 HG1 THR A 111 4.911 7.201 8.347 1.00 0.00 H new ATOM 0 HG21 THR A 111 4.168 5.106 8.578 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.027 3.890 7.603 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.940 4.976 8.677 1.00 0.00 H new ATOM 1664 N ILE A 112 5.621 4.903 3.921 1.00 0.00 N ATOM 1665 CA ILE A 112 5.392 3.949 2.851 1.00 0.00 C ATOM 1666 C ILE A 112 6.713 3.266 2.491 1.00 0.00 C ATOM 1667 O ILE A 112 6.760 2.048 2.316 1.00 0.00 O ATOM 1668 CB ILE A 112 4.708 4.628 1.662 1.00 0.00 C ATOM 1669 CG1 ILE A 112 3.999 3.600 0.778 1.00 0.00 C ATOM 1670 CG2 ILE A 112 5.702 5.478 0.871 1.00 0.00 C ATOM 1671 CD1 ILE A 112 4.976 2.534 0.282 1.00 0.00 C ATOM 0 H ILE A 112 5.207 5.823 3.768 1.00 0.00 H new ATOM 0 HA ILE A 112 4.706 3.168 3.179 1.00 0.00 H new ATOM 0 HB ILE A 112 3.943 5.303 2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 112 3.194 3.127 1.340 1.00 0.00 H new ATOM 0 HG13 ILE A 112 3.541 4.103 -0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 112 5.191 5.949 0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 112 6.120 6.248 1.520 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.506 4.844 0.496 1.00 0.00 H new ATOM 0 HD11 ILE A 112 4.445 1.817 -0.344 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.767 3.008 -0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 112 5.414 2.017 1.136 1.00 0.00 H new ATOM 1683 N ASP A 113 7.754 4.078 2.391 1.00 0.00 N ATOM 1684 CA ASP A 113 9.072 3.568 2.056 1.00 0.00 C ATOM 1685 C ASP A 113 9.349 2.304 2.873 1.00 0.00 C ATOM 1686 O ASP A 113 9.862 1.318 2.346 1.00 0.00 O ATOM 1687 CB ASP A 113 10.161 4.592 2.385 1.00 0.00 C ATOM 1688 CG ASP A 113 11.347 4.609 1.418 1.00 0.00 C ATOM 1689 OD1 ASP A 113 11.182 5.198 0.329 1.00 0.00 O ATOM 1690 OD2 ASP A 113 12.391 4.032 1.792 1.00 0.00 O ATOM 0 H ASP A 113 7.712 5.087 2.536 1.00 0.00 H new ATOM 0 HA ASP A 113 9.088 3.356 0.987 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.712 5.585 2.402 1.00 0.00 H new ATOM 0 HB3 ASP A 113 10.534 4.393 3.390 1.00 0.00 H new ATOM 1695 N VAL A 114 8.998 2.375 4.149 1.00 0.00 N ATOM 1696 CA VAL A 114 9.202 1.250 5.045 1.00 0.00 C ATOM 1697 C VAL A 114 8.148 0.177 4.758 1.00 0.00 C ATOM 1698 O VAL A 114 8.486 -0.978 4.505 1.00 0.00 O ATOM 1699 CB VAL A 114 9.187 1.729 6.499 1.00 0.00 C ATOM 1700 CG1 VAL A 114 10.185 0.937 7.346 1.00 0.00 C ATOM 1701 CG2 VAL A 114 9.464 3.231 6.584 1.00 0.00 C ATOM 0 H VAL A 114 8.574 3.195 4.583 1.00 0.00 H new ATOM 0 HA VAL A 114 10.180 0.799 4.875 1.00 0.00 H new ATOM 0 HB VAL A 114 8.190 1.550 6.902 1.00 0.00 H new ATOM 0 HG11 VAL A 114 10.155 1.296 8.375 1.00 0.00 H new ATOM 0 HG12 VAL A 114 9.923 -0.121 7.323 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.189 1.070 6.944 1.00 0.00 H new ATOM 0 HG21 VAL A 114 9.448 3.546 7.628 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.443 3.445 6.156 1.00 0.00 H new ATOM 0 HG23 VAL A 114 8.699 3.774 6.029 1.00 0.00 H new ATOM 1711 N ALA A 115 6.893 0.598 4.808 1.00 0.00 N ATOM 1712 CA ALA A 115 5.788 -0.311 4.556 1.00 0.00 C ATOM 1713 C ALA A 115 6.046 -1.073 3.254 1.00 0.00 C ATOM 1714 O ALA A 115 5.475 -2.138 3.031 1.00 0.00 O ATOM 1715 CB ALA A 115 4.476 0.476 4.520 1.00 0.00 C ATOM 0 H ALA A 115 6.617 1.557 5.019 1.00 0.00 H new ATOM 0 HA ALA A 115 5.706 -1.045 5.357 1.00 0.00 H new ATOM 0 HB1 ALA A 115 3.647 -0.206 4.331 1.00 0.00 H new ATOM 0 HB2 ALA A 115 4.324 0.974 5.477 1.00 0.00 H new ATOM 0 HB3 ALA A 115 4.521 1.221 3.726 1.00 0.00 H new ATOM 1721 N MET A 116 6.908 -0.497 2.430 1.00 0.00 N ATOM 1722 CA MET A 116 7.249 -1.108 1.157 1.00 0.00 C ATOM 1723 C MET A 116 8.603 -1.814 1.232 1.00 0.00 C ATOM 1724 O MET A 116 8.796 -2.861 0.617 1.00 0.00 O ATOM 1725 CB MET A 116 7.295 -0.031 0.070 1.00 0.00 C ATOM 1726 CG MET A 116 6.766 -0.572 -1.261 1.00 0.00 C ATOM 1727 SD MET A 116 5.054 -1.049 -1.088 1.00 0.00 S ATOM 1728 CE MET A 116 5.086 -2.622 -1.930 1.00 0.00 C ATOM 0 H MET A 116 7.381 0.387 2.619 1.00 0.00 H new ATOM 0 HA MET A 116 6.487 -1.849 0.916 1.00 0.00 H new ATOM 0 HB2 MET A 116 6.700 0.829 0.379 1.00 0.00 H new ATOM 0 HB3 MET A 116 8.319 0.319 -0.057 1.00 0.00 H new ATOM 0 HG2 MET A 116 6.864 0.188 -2.037 1.00 0.00 H new ATOM 0 HG3 MET A 116 7.361 -1.429 -1.577 1.00 0.00 H new ATOM 0 HE1 MET A 116 4.216 -3.209 -1.637 1.00 0.00 H new ATOM 0 HE2 MET A 116 5.068 -2.458 -3.007 1.00 0.00 H new ATOM 0 HE3 MET A 116 5.994 -3.161 -1.660 1.00 0.00 H new ATOM 1738 N CYS A 117 9.506 -1.214 1.994 1.00 0.00 N ATOM 1739 CA CYS A 117 10.837 -1.773 2.159 1.00 0.00 C ATOM 1740 C CYS A 117 10.696 -3.268 2.453 1.00 0.00 C ATOM 1741 O CYS A 117 11.328 -4.095 1.797 1.00 0.00 O ATOM 1742 CB CYS A 117 11.624 -1.048 3.252 1.00 0.00 C ATOM 1743 SG CYS A 117 13.442 -1.078 3.038 1.00 0.00 S ATOM 0 H CYS A 117 9.342 -0.346 2.504 1.00 0.00 H new ATOM 0 HA CYS A 117 11.408 -1.636 1.241 1.00 0.00 H new ATOM 0 HB2 CYS A 117 11.294 -0.010 3.290 1.00 0.00 H new ATOM 0 HB3 CYS A 117 11.378 -1.496 4.215 1.00 0.00 H new ATOM 1748 N PHE A 118 9.865 -3.570 3.440 1.00 0.00 N ATOM 1749 CA PHE A 118 9.635 -4.950 3.829 1.00 0.00 C ATOM 1750 C PHE A 118 8.942 -5.727 2.707 1.00 0.00 C ATOM 1751 O PHE A 118 9.185 -6.920 2.532 1.00 0.00 O ATOM 1752 CB PHE A 118 8.719 -4.923 5.054 1.00 0.00 C ATOM 1753 CG PHE A 118 8.010 -6.251 5.332 1.00 0.00 C ATOM 1754 CD1 PHE A 118 8.711 -7.416 5.293 1.00 0.00 C ATOM 1755 CD2 PHE A 118 6.682 -6.265 5.618 1.00 0.00 C ATOM 1756 CE1 PHE A 118 8.054 -8.648 5.551 1.00 0.00 C ATOM 1757 CE2 PHE A 118 6.024 -7.498 5.876 1.00 0.00 C ATOM 1758 CZ PHE A 118 6.725 -8.663 5.837 1.00 0.00 C ATOM 0 H PHE A 118 9.343 -2.882 3.982 1.00 0.00 H new ATOM 0 HA PHE A 118 10.585 -5.440 4.042 1.00 0.00 H new ATOM 0 HB2 PHE A 118 9.308 -4.647 5.929 1.00 0.00 H new ATOM 0 HB3 PHE A 118 7.969 -4.144 4.917 1.00 0.00 H new ATOM 0 HD1 PHE A 118 9.767 -7.404 5.066 1.00 0.00 H new ATOM 0 HD2 PHE A 118 6.126 -5.339 5.649 1.00 0.00 H new ATOM 0 HE1 PHE A 118 8.610 -9.573 5.520 1.00 0.00 H new ATOM 0 HE2 PHE A 118 4.968 -7.510 6.103 1.00 0.00 H new ATOM 0 HZ PHE A 118 6.226 -9.600 6.033 1.00 0.00 H new ATOM 1768 N LYS A 119 8.094 -5.019 1.976 1.00 0.00 N ATOM 1769 CA LYS A 119 7.364 -5.627 0.875 1.00 0.00 C ATOM 1770 C LYS A 119 8.333 -5.922 -0.270 1.00 0.00 C ATOM 1771 O LYS A 119 8.136 -6.872 -1.027 1.00 0.00 O ATOM 1772 CB LYS A 119 6.179 -4.749 0.469 1.00 0.00 C ATOM 1773 CG LYS A 119 5.075 -4.795 1.528 1.00 0.00 C ATOM 1774 CD LYS A 119 4.330 -6.129 1.486 1.00 0.00 C ATOM 1775 CE LYS A 119 4.208 -6.734 2.887 1.00 0.00 C ATOM 1776 NZ LYS A 119 4.556 -8.172 2.863 1.00 0.00 N ATOM 0 H LYS A 119 7.896 -4.030 2.124 1.00 0.00 H new ATOM 0 HA LYS A 119 6.933 -6.580 1.182 1.00 0.00 H new ATOM 0 HB2 LYS A 119 6.514 -3.721 0.332 1.00 0.00 H new ATOM 0 HB3 LYS A 119 5.783 -5.086 -0.489 1.00 0.00 H new ATOM 0 HG2 LYS A 119 5.509 -4.648 2.517 1.00 0.00 H new ATOM 0 HG3 LYS A 119 4.373 -3.977 1.363 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.337 -5.982 1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 119 4.856 -6.823 0.831 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.867 -6.206 3.576 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.191 -6.606 3.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 5.081 -8.417 3.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 3.686 -8.739 2.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 5.146 -8.372 2.031 1.00 0.00 H new ATOM 1790 N LYS A 120 9.361 -5.092 -0.364 1.00 0.00 N ATOM 1791 CA LYS A 120 10.362 -5.251 -1.405 1.00 0.00 C ATOM 1792 C LYS A 120 11.159 -6.531 -1.149 1.00 0.00 C ATOM 1793 O LYS A 120 11.537 -7.231 -2.086 1.00 0.00 O ATOM 1794 CB LYS A 120 11.229 -3.996 -1.511 1.00 0.00 C ATOM 1795 CG LYS A 120 12.630 -4.248 -0.947 1.00 0.00 C ATOM 1796 CD LYS A 120 13.557 -3.067 -1.238 1.00 0.00 C ATOM 1797 CE LYS A 120 14.623 -3.448 -2.267 1.00 0.00 C ATOM 1798 NZ LYS A 120 14.060 -3.405 -3.635 1.00 0.00 N ATOM 0 H LYS A 120 9.523 -4.306 0.265 1.00 0.00 H new ATOM 0 HA LYS A 120 9.885 -5.363 -2.379 1.00 0.00 H new ATOM 0 HB2 LYS A 120 11.303 -3.688 -2.554 1.00 0.00 H new ATOM 0 HB3 LYS A 120 10.757 -3.177 -0.969 1.00 0.00 H new ATOM 0 HG2 LYS A 120 12.569 -4.411 0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 120 13.044 -5.157 -1.384 1.00 0.00 H new ATOM 0 HD2 LYS A 120 12.973 -2.224 -1.609 1.00 0.00 H new ATOM 0 HD3 LYS A 120 14.037 -2.741 -0.315 1.00 0.00 H new ATOM 0 HE2 LYS A 120 15.469 -2.764 -2.194 1.00 0.00 H new ATOM 0 HE3 LYS A 120 15.002 -4.448 -2.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 14.796 -3.666 -4.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 13.268 -4.075 -3.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 13.720 -2.444 -3.841 1.00 0.00 H new ATOM 1812 N GLU A 121 11.392 -6.798 0.129 1.00 0.00 N ATOM 1813 CA GLU A 121 12.139 -7.982 0.522 1.00 0.00 C ATOM 1814 C GLU A 121 11.484 -9.238 -0.058 1.00 0.00 C ATOM 1815 O GLU A 121 12.158 -10.240 -0.295 1.00 0.00 O ATOM 1816 CB GLU A 121 12.255 -8.075 2.043 1.00 0.00 C ATOM 1817 CG GLU A 121 12.904 -6.817 2.624 1.00 0.00 C ATOM 1818 CD GLU A 121 14.405 -6.786 2.323 1.00 0.00 C ATOM 1819 OE1 GLU A 121 15.042 -7.847 2.507 1.00 0.00 O ATOM 1820 OE2 GLU A 121 14.881 -5.705 1.916 1.00 0.00 O ATOM 0 H GLU A 121 11.077 -6.215 0.905 1.00 0.00 H new ATOM 0 HA GLU A 121 13.149 -7.904 0.118 1.00 0.00 H new ATOM 0 HB2 GLU A 121 11.265 -8.212 2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 121 12.846 -8.950 2.313 1.00 0.00 H new ATOM 0 HG2 GLU A 121 12.427 -5.931 2.205 1.00 0.00 H new ATOM 0 HG3 GLU A 121 12.745 -6.786 3.702 1.00 0.00 H new ATOM 1827 N ILE A 122 10.179 -9.144 -0.267 1.00 0.00 N ATOM 1828 CA ILE A 122 9.427 -10.261 -0.813 1.00 0.00 C ATOM 1829 C ILE A 122 9.880 -10.520 -2.250 1.00 0.00 C ATOM 1830 O ILE A 122 9.951 -11.670 -2.685 1.00 0.00 O ATOM 1831 CB ILE A 122 7.923 -10.010 -0.678 1.00 0.00 C ATOM 1832 CG1 ILE A 122 7.596 -9.347 0.661 1.00 0.00 C ATOM 1833 CG2 ILE A 122 7.133 -11.303 -0.886 1.00 0.00 C ATOM 1834 CD1 ILE A 122 8.367 -10.011 1.804 1.00 0.00 C ATOM 0 H ILE A 122 9.623 -8.312 -0.068 1.00 0.00 H new ATOM 0 HA ILE A 122 9.628 -11.170 -0.246 1.00 0.00 H new ATOM 0 HB ILE A 122 7.619 -9.317 -1.462 1.00 0.00 H new ATOM 0 HG12 ILE A 122 7.846 -8.287 0.617 1.00 0.00 H new ATOM 0 HG13 ILE A 122 6.525 -9.414 0.852 1.00 0.00 H new ATOM 0 HG21 ILE A 122 6.067 -11.098 -0.785 1.00 0.00 H new ATOM 0 HG22 ILE A 122 7.334 -11.696 -1.883 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.434 -12.037 -0.139 1.00 0.00 H new ATOM 0 HD11 ILE A 122 8.117 -9.521 2.745 1.00 0.00 H new ATOM 0 HD12 ILE A 122 8.097 -11.065 1.861 1.00 0.00 H new ATOM 0 HD13 ILE A 122 9.438 -9.920 1.622 1.00 0.00 H new ATOM 1846 N HIS A 123 10.174 -9.434 -2.950 1.00 0.00 N ATOM 1847 CA HIS A 123 10.621 -9.531 -4.330 1.00 0.00 C ATOM 1848 C HIS A 123 11.675 -10.632 -4.454 1.00 0.00 C ATOM 1849 O HIS A 123 11.932 -11.130 -5.549 1.00 0.00 O ATOM 1850 CB HIS A 123 11.115 -8.175 -4.839 1.00 0.00 C ATOM 1851 CG HIS A 123 11.649 -8.206 -6.250 1.00 0.00 C ATOM 1852 ND1 HIS A 123 11.493 -9.128 -7.242 1.00 0.00 N flip ATOM 1853 CD2 HIS A 123 12.445 -7.202 -6.772 1.00 0.00 C flip ATOM 1854 CE1 HIS A 123 12.156 -8.709 -8.313 1.00 0.00 C flip ATOM 1855 NE2 HIS A 123 12.748 -7.516 -8.023 1.00 0.00 N flip ATOM 0 H HIS A 123 10.112 -8.483 -2.588 1.00 0.00 H new ATOM 0 HA HIS A 123 9.782 -9.808 -4.968 1.00 0.00 H new ATOM 0 HB2 HIS A 123 10.295 -7.459 -4.788 1.00 0.00 H new ATOM 0 HB3 HIS A 123 11.898 -7.812 -4.173 1.00 0.00 H new ATOM 0 HD1 HIS A 123 10.957 -9.993 -7.173 1.00 0.00 H new ATOM 0 HD2 HIS A 123 12.765 -6.313 -6.249 1.00 0.00 H new ATOM 0 HE1 HIS A 123 12.216 -9.228 -9.258 1.00 0.00 H new ATOM 1864 N LYS A 124 12.259 -10.977 -3.316 1.00 0.00 N ATOM 1865 CA LYS A 124 13.281 -12.010 -3.283 1.00 0.00 C ATOM 1866 C LYS A 124 12.629 -13.358 -2.969 1.00 0.00 C ATOM 1867 O LYS A 124 13.278 -14.258 -2.441 1.00 0.00 O ATOM 1868 CB LYS A 124 14.398 -11.628 -2.311 1.00 0.00 C ATOM 1869 CG LYS A 124 14.866 -10.190 -2.553 1.00 0.00 C ATOM 1870 CD LYS A 124 16.086 -9.859 -1.691 1.00 0.00 C ATOM 1871 CE LYS A 124 15.665 -9.214 -0.368 1.00 0.00 C ATOM 1872 NZ LYS A 124 16.832 -9.064 0.530 1.00 0.00 N ATOM 0 H LYS A 124 12.044 -10.560 -2.410 1.00 0.00 H new ATOM 0 HA LYS A 124 13.757 -12.105 -4.259 1.00 0.00 H new ATOM 0 HB2 LYS A 124 14.044 -11.732 -1.285 1.00 0.00 H new ATOM 0 HB3 LYS A 124 15.238 -12.313 -2.429 1.00 0.00 H new ATOM 0 HG2 LYS A 124 15.113 -10.056 -3.606 1.00 0.00 H new ATOM 0 HG3 LYS A 124 14.056 -9.497 -2.325 1.00 0.00 H new ATOM 0 HD2 LYS A 124 16.653 -10.769 -1.492 1.00 0.00 H new ATOM 0 HD3 LYS A 124 16.747 -9.184 -2.234 1.00 0.00 H new ATOM 0 HE2 LYS A 124 15.217 -8.239 -0.558 1.00 0.00 H new ATOM 0 HE3 LYS A 124 14.903 -9.825 0.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 16.529 -8.625 1.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 17.242 -10.000 0.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 17.546 -8.462 0.073 1.00 0.00 H new ATOM 1886 N LEU A 125 11.351 -13.454 -3.308 1.00 0.00 N ATOM 1887 CA LEU A 125 10.603 -14.677 -3.069 1.00 0.00 C ATOM 1888 C LEU A 125 11.369 -15.861 -3.659 1.00 0.00 C ATOM 1889 O LEU A 125 12.324 -16.350 -3.059 1.00 0.00 O ATOM 1890 CB LEU A 125 9.173 -14.543 -3.598 1.00 0.00 C ATOM 1891 CG LEU A 125 8.971 -13.540 -4.735 1.00 0.00 C ATOM 1892 CD1 LEU A 125 10.109 -13.629 -5.754 1.00 0.00 C ATOM 1893 CD2 LEU A 125 7.600 -13.724 -5.391 1.00 0.00 C ATOM 0 H LEU A 125 10.815 -12.705 -3.746 1.00 0.00 H new ATOM 0 HA LEU A 125 10.506 -14.861 -1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 125 8.840 -15.523 -3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 125 8.525 -14.258 -2.769 1.00 0.00 H new ATOM 0 HG LEU A 125 8.995 -12.536 -4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 125 9.941 -12.905 -6.552 1.00 0.00 H new ATOM 0 HD12 LEU A 125 11.057 -13.412 -5.261 1.00 0.00 H new ATOM 0 HD13 LEU A 125 10.142 -14.633 -6.176 1.00 0.00 H new ATOM 0 HD21 LEU A 125 7.482 -12.999 -6.196 1.00 0.00 H new ATOM 0 HD22 LEU A 125 7.523 -14.733 -5.797 1.00 0.00 H new ATOM 0 HD23 LEU A 125 6.818 -13.572 -4.648 1.00 0.00 H new ATOM 1905 N ASN A 126 10.921 -16.290 -4.830 1.00 0.00 N ATOM 1906 CA ASN A 126 11.552 -17.409 -5.511 1.00 0.00 C ATOM 1907 C ASN A 126 12.578 -16.878 -6.514 1.00 0.00 C ATOM 1908 O ASN A 126 13.592 -17.524 -6.772 1.00 0.00 O ATOM 1909 CB ASN A 126 10.522 -18.237 -6.280 1.00 0.00 C ATOM 1910 CG ASN A 126 11.207 -19.302 -7.139 1.00 0.00 C ATOM 1911 OD1 ASN A 126 11.812 -20.240 -6.646 1.00 0.00 O ATOM 1912 ND2 ASN A 126 11.081 -19.105 -8.447 1.00 0.00 N ATOM 0 H ASN A 126 10.128 -15.883 -5.325 1.00 0.00 H new ATOM 0 HA ASN A 126 12.029 -18.037 -4.758 1.00 0.00 H new ATOM 0 HB2 ASN A 126 9.837 -18.715 -5.579 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.924 -17.583 -6.914 1.00 0.00 H new ATOM 0 HD21 ASN A 126 11.504 -19.760 -9.104 1.00 0.00 H new ATOM 0 HD22 ASN A 126 10.561 -18.299 -8.794 1.00 0.00 H new ATOM 1919 N TRP A 127 12.278 -15.704 -7.053 1.00 0.00 N ATOM 1920 CA TRP A 127 13.162 -15.080 -8.022 1.00 0.00 C ATOM 1921 C TRP A 127 14.005 -14.036 -7.289 1.00 0.00 C ATOM 1922 O TRP A 127 13.482 -13.255 -6.496 1.00 0.00 O ATOM 1923 CB TRP A 127 12.366 -14.492 -9.190 1.00 0.00 C ATOM 1924 CG TRP A 127 10.864 -14.371 -8.922 1.00 0.00 C ATOM 1925 CD1 TRP A 127 9.995 -15.351 -8.636 1.00 0.00 C ATOM 1926 CD2 TRP A 127 10.086 -13.156 -8.923 1.00 0.00 C ATOM 1927 NE1 TRP A 127 8.719 -14.858 -8.456 1.00 0.00 N ATOM 1928 CE2 TRP A 127 8.775 -13.482 -8.636 1.00 0.00 C ATOM 1929 CE3 TRP A 127 10.475 -11.827 -9.162 1.00 0.00 C ATOM 1930 CZ2 TRP A 127 7.749 -12.532 -8.559 1.00 0.00 C ATOM 1931 CZ3 TRP A 127 9.438 -10.889 -9.080 1.00 0.00 C ATOM 1932 CH2 TRP A 127 8.114 -11.200 -8.793 1.00 0.00 C ATOM 0 H TRP A 127 11.436 -15.170 -6.837 1.00 0.00 H new ATOM 0 HA TRP A 127 13.830 -15.818 -8.466 1.00 0.00 H new ATOM 0 HB2 TRP A 127 12.763 -13.505 -9.426 1.00 0.00 H new ATOM 0 HB3 TRP A 127 12.518 -15.116 -10.071 1.00 0.00 H new ATOM 0 HD1 TRP A 127 10.260 -16.395 -8.557 1.00 0.00 H new ATOM 0 HE1 TRP A 127 7.887 -15.404 -8.232 1.00 0.00 H new ATOM 0 HE3 TRP A 127 11.494 -11.551 -9.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 6.731 -12.811 -8.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 9.684 -9.852 -9.252 1.00 0.00 H new ATOM 0 HH2 TRP A 127 7.370 -10.418 -8.751 1.00 0.00 H new ATOM 1943 N VAL A 128 15.298 -14.055 -7.579 1.00 0.00 N ATOM 1944 CA VAL A 128 16.219 -13.121 -6.958 1.00 0.00 C ATOM 1945 C VAL A 128 16.616 -12.048 -7.975 1.00 0.00 C ATOM 1946 O VAL A 128 17.228 -12.353 -8.996 1.00 0.00 O ATOM 1947 CB VAL A 128 17.422 -13.873 -6.385 1.00 0.00 C ATOM 1948 CG1 VAL A 128 18.504 -12.901 -5.909 1.00 0.00 C ATOM 1949 CG2 VAL A 128 16.993 -14.812 -5.254 1.00 0.00 C ATOM 0 H VAL A 128 15.729 -14.704 -8.237 1.00 0.00 H new ATOM 0 HA VAL A 128 15.739 -12.614 -6.120 1.00 0.00 H new ATOM 0 HB VAL A 128 17.847 -14.481 -7.184 1.00 0.00 H new ATOM 0 HG11 VAL A 128 19.347 -13.463 -5.507 1.00 0.00 H new ATOM 0 HG12 VAL A 128 18.841 -12.293 -6.748 1.00 0.00 H new ATOM 0 HG13 VAL A 128 18.096 -12.254 -5.133 1.00 0.00 H new ATOM 0 HG21 VAL A 128 17.866 -15.335 -4.864 1.00 0.00 H new ATOM 0 HG22 VAL A 128 16.530 -14.232 -4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 128 16.276 -15.539 -5.637 1.00 0.00 H new ATOM 1959 N PRO A 129 16.239 -10.782 -7.651 1.00 0.00 N ATOM 1960 CA PRO A 129 16.549 -9.664 -8.525 1.00 0.00 C ATOM 1961 C PRO A 129 18.028 -9.285 -8.428 1.00 0.00 C ATOM 1962 O PRO A 129 18.363 -8.115 -8.245 1.00 0.00 O ATOM 1963 CB PRO A 129 15.620 -8.546 -8.076 1.00 0.00 C ATOM 1964 CG PRO A 129 15.157 -8.924 -6.678 1.00 0.00 C ATOM 1965 CD PRO A 129 15.513 -10.384 -6.448 1.00 0.00 C ATOM 0 HA PRO A 129 16.392 -9.898 -9.578 1.00 0.00 H new ATOM 0 HB2 PRO A 129 16.138 -7.587 -8.070 1.00 0.00 H new ATOM 0 HB3 PRO A 129 14.773 -8.446 -8.754 1.00 0.00 H new ATOM 0 HG2 PRO A 129 15.639 -8.292 -5.932 1.00 0.00 H new ATOM 0 HG3 PRO A 129 14.082 -8.773 -6.578 1.00 0.00 H new ATOM 0 HD2 PRO A 129 16.127 -10.506 -5.556 1.00 0.00 H new ATOM 0 HD3 PRO A 129 14.620 -10.992 -6.305 1.00 0.00 H new ATOM 1973 N ASN A 130 18.874 -10.296 -8.555 1.00 0.00 N ATOM 1974 CA ASN A 130 20.309 -10.085 -8.486 1.00 0.00 C ATOM 1975 C ASN A 130 20.676 -8.835 -9.288 1.00 0.00 C ATOM 1976 O ASN A 130 21.587 -8.097 -8.914 1.00 0.00 O ATOM 1977 CB ASN A 130 21.071 -11.270 -9.083 1.00 0.00 C ATOM 1978 CG ASN A 130 22.551 -11.223 -8.696 1.00 0.00 C ATOM 1979 OD1 ASN A 130 22.913 -11.133 -7.534 1.00 0.00 O ATOM 1980 ND2 ASN A 130 23.382 -11.287 -9.732 1.00 0.00 N ATOM 0 H ASN A 130 18.592 -11.265 -8.705 1.00 0.00 H new ATOM 0 HA ASN A 130 20.582 -9.973 -7.437 1.00 0.00 H new ATOM 0 HB2 ASN A 130 20.630 -12.204 -8.734 1.00 0.00 H new ATOM 0 HB3 ASN A 130 20.975 -11.259 -10.169 1.00 0.00 H new ATOM 0 HD21 ASN A 130 24.390 -11.262 -9.579 1.00 0.00 H new ATOM 0 HD22 ASN A 130 23.011 -11.361 -10.679 1.00 0.00 H new ATOM 1987 N MET A 131 19.948 -8.635 -10.377 1.00 0.00 N ATOM 1988 CA MET A 131 20.185 -7.487 -11.235 1.00 0.00 C ATOM 1989 C MET A 131 19.091 -6.434 -11.057 1.00 0.00 C ATOM 1990 O MET A 131 17.954 -6.636 -11.481 1.00 0.00 O ATOM 1991 CB MET A 131 20.224 -7.942 -12.697 1.00 0.00 C ATOM 1992 CG MET A 131 20.819 -6.854 -13.593 1.00 0.00 C ATOM 1993 SD MET A 131 20.996 -7.467 -15.260 1.00 0.00 S ATOM 1994 CE MET A 131 22.576 -6.754 -15.686 1.00 0.00 C ATOM 0 H MET A 131 19.194 -9.249 -10.685 1.00 0.00 H new ATOM 0 HA MET A 131 21.140 -7.041 -10.958 1.00 0.00 H new ATOM 0 HB2 MET A 131 20.816 -8.853 -12.783 1.00 0.00 H new ATOM 0 HB3 MET A 131 19.216 -8.184 -13.033 1.00 0.00 H new ATOM 0 HG2 MET A 131 20.176 -5.974 -13.587 1.00 0.00 H new ATOM 0 HG3 MET A 131 21.789 -6.543 -13.206 1.00 0.00 H new ATOM 0 HE1 MET A 131 22.841 -7.039 -16.704 1.00 0.00 H new ATOM 0 HE2 MET A 131 22.515 -5.668 -15.618 1.00 0.00 H new ATOM 0 HE3 MET A 131 23.338 -7.119 -14.997 1.00 0.00 H new ATOM 2004 N ASP A 132 19.471 -5.331 -10.429 1.00 0.00 N ATOM 2005 CA ASP A 132 18.537 -4.245 -10.190 1.00 0.00 C ATOM 2006 C ASP A 132 19.051 -2.976 -10.873 1.00 0.00 C ATOM 2007 O ASP A 132 20.174 -2.544 -10.624 1.00 0.00 O ATOM 2008 CB ASP A 132 18.402 -3.955 -8.694 1.00 0.00 C ATOM 2009 CG ASP A 132 19.651 -3.370 -8.033 1.00 0.00 C ATOM 2010 OD1 ASP A 132 20.753 -3.837 -8.390 1.00 0.00 O ATOM 2011 OD2 ASP A 132 19.476 -2.469 -7.184 1.00 0.00 O ATOM 0 H ASP A 132 20.414 -5.166 -10.078 1.00 0.00 H new ATOM 0 HA ASP A 132 17.567 -4.540 -10.590 1.00 0.00 H new ATOM 0 HB2 ASP A 132 17.573 -3.262 -8.547 1.00 0.00 H new ATOM 0 HB3 ASP A 132 18.138 -4.881 -8.182 1.00 0.00 H new ATOM 2016 N LEU A 133 18.200 -2.414 -11.720 1.00 0.00 N ATOM 2017 CA LEU A 133 18.555 -1.202 -12.442 1.00 0.00 C ATOM 2018 C LEU A 133 19.287 -0.247 -11.496 1.00 0.00 C ATOM 2019 O LEU A 133 18.700 0.255 -10.538 1.00 0.00 O ATOM 2020 CB LEU A 133 17.316 -0.589 -13.099 1.00 0.00 C ATOM 2021 CG LEU A 133 16.482 0.343 -12.218 1.00 0.00 C ATOM 2022 CD1 LEU A 133 16.128 -0.327 -10.890 1.00 0.00 C ATOM 2023 CD2 LEU A 133 17.192 1.684 -12.012 1.00 0.00 C ATOM 0 H LEU A 133 17.267 -2.774 -11.922 1.00 0.00 H new ATOM 0 HA LEU A 133 19.240 -1.430 -13.258 1.00 0.00 H new ATOM 0 HB2 LEU A 133 17.634 -0.034 -13.982 1.00 0.00 H new ATOM 0 HB3 LEU A 133 16.675 -1.399 -13.446 1.00 0.00 H new ATOM 0 HG LEU A 133 15.544 0.550 -12.733 1.00 0.00 H new ATOM 0 HD11 LEU A 133 15.535 0.358 -10.284 1.00 0.00 H new ATOM 0 HD12 LEU A 133 15.553 -1.233 -11.081 1.00 0.00 H new ATOM 0 HD13 LEU A 133 17.043 -0.584 -10.357 1.00 0.00 H new ATOM 0 HD21 LEU A 133 16.578 2.328 -11.382 1.00 0.00 H new ATOM 0 HD22 LEU A 133 18.155 1.516 -11.529 1.00 0.00 H new ATOM 0 HD23 LEU A 133 17.350 2.164 -12.978 1.00 0.00 H new ATOM 2035 N VAL A 134 20.557 -0.023 -11.799 1.00 0.00 N ATOM 2036 CA VAL A 134 21.375 0.863 -10.989 1.00 0.00 C ATOM 2037 C VAL A 134 21.801 2.067 -11.829 1.00 0.00 C ATOM 2038 O VAL A 134 22.336 3.041 -11.301 1.00 0.00 O ATOM 2039 CB VAL A 134 22.560 0.093 -10.403 1.00 0.00 C ATOM 2040 CG1 VAL A 134 23.612 -0.194 -11.477 1.00 0.00 C ATOM 2041 CG2 VAL A 134 23.174 0.844 -9.222 1.00 0.00 C ATOM 0 H VAL A 134 21.040 -0.440 -12.595 1.00 0.00 H new ATOM 0 HA VAL A 134 20.802 1.243 -10.143 1.00 0.00 H new ATOM 0 HB VAL A 134 22.188 -0.863 -10.034 1.00 0.00 H new ATOM 0 HG11 VAL A 134 24.444 -0.742 -11.034 1.00 0.00 H new ATOM 0 HG12 VAL A 134 23.166 -0.791 -12.273 1.00 0.00 H new ATOM 0 HG13 VAL A 134 23.976 0.747 -11.890 1.00 0.00 H new ATOM 0 HG21 VAL A 134 24.014 0.274 -8.825 1.00 0.00 H new ATOM 0 HG22 VAL A 134 23.524 1.821 -9.554 1.00 0.00 H new ATOM 0 HG23 VAL A 134 22.423 0.973 -8.443 1.00 0.00 H new ATOM 2051 N ILE A 135 21.549 1.962 -13.126 1.00 0.00 N ATOM 2052 CA ILE A 135 21.900 3.031 -14.047 1.00 0.00 C ATOM 2053 C ILE A 135 20.629 3.769 -14.473 1.00 0.00 C ATOM 2054 O ILE A 135 20.693 4.914 -14.921 1.00 0.00 O ATOM 2055 CB ILE A 135 22.715 2.481 -15.219 1.00 0.00 C ATOM 2056 CG1 ILE A 135 22.216 1.095 -15.632 1.00 0.00 C ATOM 2057 CG2 ILE A 135 24.210 2.480 -14.895 1.00 0.00 C ATOM 2058 CD1 ILE A 135 22.878 0.002 -14.791 1.00 0.00 C ATOM 0 H ILE A 135 21.106 1.153 -13.561 1.00 0.00 H new ATOM 0 HA ILE A 135 22.543 3.762 -13.557 1.00 0.00 H new ATOM 0 HB ILE A 135 22.572 3.142 -16.074 1.00 0.00 H new ATOM 0 HG12 ILE A 135 21.134 1.044 -15.514 1.00 0.00 H new ATOM 0 HG13 ILE A 135 22.430 0.927 -16.687 1.00 0.00 H new ATOM 0 HG21 ILE A 135 24.766 2.084 -15.745 1.00 0.00 H new ATOM 0 HG22 ILE A 135 24.538 3.499 -14.689 1.00 0.00 H new ATOM 0 HG23 ILE A 135 24.392 1.856 -14.020 1.00 0.00 H new ATOM 0 HD11 ILE A 135 22.506 -0.974 -15.104 1.00 0.00 H new ATOM 0 HD12 ILE A 135 23.958 0.040 -14.930 1.00 0.00 H new ATOM 0 HD13 ILE A 135 22.642 0.159 -13.739 1.00 0.00 H new ATOM 2070 N GLY A 136 19.505 3.085 -14.318 1.00 0.00 N ATOM 2071 CA GLY A 136 18.222 3.663 -14.681 1.00 0.00 C ATOM 2072 C GLY A 136 18.022 3.646 -16.197 1.00 0.00 C ATOM 2073 O GLY A 136 17.374 4.531 -16.751 1.00 0.00 O ATOM 0 H GLY A 136 19.456 2.136 -13.946 1.00 0.00 H new ATOM 0 HA2 GLY A 136 17.419 3.106 -14.198 1.00 0.00 H new ATOM 0 HA3 GLY A 136 18.164 4.688 -14.315 1.00 0.00 H new ATOM 2077 N GLU A 137 18.593 2.628 -16.826 1.00 0.00 N ATOM 2078 CA GLU A 137 18.486 2.483 -18.268 1.00 0.00 C ATOM 2079 C GLU A 137 18.086 1.052 -18.630 1.00 0.00 C ATOM 2080 O GLU A 137 18.059 0.175 -17.768 1.00 0.00 O ATOM 2081 CB GLU A 137 19.794 2.878 -18.956 1.00 0.00 C ATOM 2082 CG GLU A 137 19.732 4.321 -19.464 1.00 0.00 C ATOM 2083 CD GLU A 137 21.079 4.758 -20.041 1.00 0.00 C ATOM 2084 OE1 GLU A 137 21.422 4.248 -21.131 1.00 0.00 O ATOM 2085 OE2 GLU A 137 21.738 5.590 -19.382 1.00 0.00 O ATOM 0 H GLU A 137 19.131 1.896 -16.363 1.00 0.00 H new ATOM 0 HA GLU A 137 17.707 3.157 -18.625 1.00 0.00 H new ATOM 0 HB2 GLU A 137 20.624 2.770 -18.257 1.00 0.00 H new ATOM 0 HB3 GLU A 137 19.989 2.203 -19.789 1.00 0.00 H new ATOM 0 HG2 GLU A 137 18.960 4.408 -20.228 1.00 0.00 H new ATOM 0 HG3 GLU A 137 19.449 4.986 -18.648 1.00 0.00 H new ATOM 2092 N VAL A 138 17.787 0.860 -19.906 1.00 0.00 N ATOM 2093 CA VAL A 138 17.391 -0.450 -20.393 1.00 0.00 C ATOM 2094 C VAL A 138 18.564 -1.420 -20.246 1.00 0.00 C ATOM 2095 O VAL A 138 19.602 -1.244 -20.881 1.00 0.00 O ATOM 2096 CB VAL A 138 16.880 -0.341 -21.831 1.00 0.00 C ATOM 2097 CG1 VAL A 138 15.762 0.698 -21.939 1.00 0.00 C ATOM 2098 CG2 VAL A 138 18.024 -0.021 -22.796 1.00 0.00 C ATOM 0 H VAL A 138 17.811 1.590 -20.618 1.00 0.00 H new ATOM 0 HA VAL A 138 16.567 -0.846 -19.799 1.00 0.00 H new ATOM 0 HB VAL A 138 16.465 -1.308 -22.114 1.00 0.00 H new ATOM 0 HG11 VAL A 138 15.417 0.755 -22.971 1.00 0.00 H new ATOM 0 HG12 VAL A 138 14.932 0.408 -21.295 1.00 0.00 H new ATOM 0 HG13 VAL A 138 16.139 1.672 -21.628 1.00 0.00 H new ATOM 0 HG21 VAL A 138 17.634 0.051 -23.811 1.00 0.00 H new ATOM 0 HG22 VAL A 138 18.482 0.927 -22.515 1.00 0.00 H new ATOM 0 HG23 VAL A 138 18.771 -0.813 -22.750 1.00 0.00 H new ATOM 2108 N LEU A 139 18.360 -2.425 -19.406 1.00 0.00 N ATOM 2109 CA LEU A 139 19.387 -3.423 -19.168 1.00 0.00 C ATOM 2110 C LEU A 139 18.941 -4.347 -18.033 1.00 0.00 C ATOM 2111 O LEU A 139 18.904 -5.566 -18.198 1.00 0.00 O ATOM 2112 CB LEU A 139 20.739 -2.751 -18.918 1.00 0.00 C ATOM 2113 CG LEU A 139 21.862 -3.123 -19.888 1.00 0.00 C ATOM 2114 CD1 LEU A 139 23.043 -2.159 -19.757 1.00 0.00 C ATOM 2115 CD2 LEU A 139 22.288 -4.581 -19.699 1.00 0.00 C ATOM 0 H LEU A 139 17.497 -2.569 -18.882 1.00 0.00 H new ATOM 0 HA LEU A 139 19.525 -4.046 -20.052 1.00 0.00 H new ATOM 0 HB2 LEU A 139 20.598 -1.671 -18.954 1.00 0.00 H new ATOM 0 HB3 LEU A 139 21.063 -2.997 -17.907 1.00 0.00 H new ATOM 0 HG LEU A 139 21.481 -3.027 -20.905 1.00 0.00 H new ATOM 0 HD11 LEU A 139 23.827 -2.447 -20.458 1.00 0.00 H new ATOM 0 HD12 LEU A 139 22.711 -1.145 -19.980 1.00 0.00 H new ATOM 0 HD13 LEU A 139 23.433 -2.198 -18.740 1.00 0.00 H new ATOM 0 HD21 LEU A 139 23.087 -4.820 -20.400 1.00 0.00 H new ATOM 0 HD22 LEU A 139 22.644 -4.727 -18.679 1.00 0.00 H new ATOM 0 HD23 LEU A 139 21.436 -5.236 -19.883 1.00 0.00 H new ATOM 2127 N ALA A 140 18.615 -3.733 -16.905 1.00 0.00 N ATOM 2128 CA ALA A 140 18.173 -4.486 -15.744 1.00 0.00 C ATOM 2129 C ALA A 140 16.702 -4.865 -15.917 1.00 0.00 C ATOM 2130 O ALA A 140 16.008 -4.307 -16.766 1.00 0.00 O ATOM 2131 CB ALA A 140 18.418 -3.661 -14.478 1.00 0.00 C ATOM 0 H ALA A 140 18.648 -2.722 -16.771 1.00 0.00 H new ATOM 0 HA ALA A 140 18.742 -5.411 -15.646 1.00 0.00 H new ATOM 0 HB1 ALA A 140 18.087 -4.225 -13.606 1.00 0.00 H new ATOM 0 HB2 ALA A 140 19.482 -3.443 -14.386 1.00 0.00 H new ATOM 0 HB3 ALA A 140 17.860 -2.727 -14.539 1.00 0.00 H new ATOM 2137 N GLU A 141 16.268 -5.813 -15.098 1.00 0.00 N ATOM 2138 CA GLU A 141 14.891 -6.273 -15.150 1.00 0.00 C ATOM 2139 C GLU A 141 13.949 -5.192 -14.616 1.00 0.00 C ATOM 2140 O GLU A 141 13.590 -5.202 -13.440 1.00 0.00 O ATOM 2141 CB GLU A 141 14.721 -7.581 -14.374 1.00 0.00 C ATOM 2142 CG GLU A 141 14.882 -8.791 -15.296 1.00 0.00 C ATOM 2143 CD GLU A 141 15.194 -10.055 -14.491 1.00 0.00 C ATOM 2144 OE1 GLU A 141 16.366 -10.192 -14.083 1.00 0.00 O ATOM 2145 OE2 GLU A 141 14.251 -10.854 -14.305 1.00 0.00 O ATOM 0 H GLU A 141 16.846 -6.274 -14.395 1.00 0.00 H new ATOM 0 HA GLU A 141 14.633 -6.470 -16.191 1.00 0.00 H new ATOM 0 HB2 GLU A 141 15.457 -7.630 -13.572 1.00 0.00 H new ATOM 0 HB3 GLU A 141 13.737 -7.605 -13.906 1.00 0.00 H new ATOM 0 HG2 GLU A 141 13.968 -8.938 -15.872 1.00 0.00 H new ATOM 0 HG3 GLU A 141 15.683 -8.604 -16.011 1.00 0.00 H new ATOM 2152 N VAL A 142 13.575 -4.285 -15.507 1.00 0.00 N ATOM 2153 CA VAL A 142 12.682 -3.199 -15.141 1.00 0.00 C ATOM 2154 C VAL A 142 11.766 -2.876 -16.323 1.00 0.00 C ATOM 2155 O VAL A 142 10.836 -3.626 -16.615 1.00 0.00 O ATOM 2156 CB VAL A 142 13.492 -1.993 -14.665 1.00 0.00 C ATOM 2157 CG1 VAL A 142 12.584 -0.788 -14.410 1.00 0.00 C ATOM 2158 CG2 VAL A 142 14.310 -2.338 -13.419 1.00 0.00 C ATOM 0 H VAL A 142 13.875 -4.280 -16.482 1.00 0.00 H new ATOM 0 HA VAL A 142 12.044 -3.494 -14.308 1.00 0.00 H new ATOM 0 HB VAL A 142 14.189 -1.724 -15.458 1.00 0.00 H new ATOM 0 HG11 VAL A 142 13.186 0.056 -14.072 1.00 0.00 H new ATOM 0 HG12 VAL A 142 12.068 -0.520 -15.332 1.00 0.00 H new ATOM 0 HG13 VAL A 142 11.851 -1.040 -13.644 1.00 0.00 H new ATOM 0 HG21 VAL A 142 14.877 -1.463 -13.102 1.00 0.00 H new ATOM 0 HG22 VAL A 142 13.639 -2.646 -12.617 1.00 0.00 H new ATOM 0 HG23 VAL A 142 14.998 -3.151 -13.649 1.00 0.00 H new TER 2168 VAL A 142