USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1088 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 93 SER OG : rot 76:sc= 1.23 USER MOD Set 1.2: B 104 TYR OH : rot 120:sc= -0.13 USER MOD Set 2.1: A 17 SER OG : rot 84:sc= 0.0499 USER MOD Set 2.2: B 88 CYS SG : rot 52:sc= 0.912 USER MOD Set 3.1: A 9 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 4.1: A 54 THR OG1 : rot -170:sc= 0.139 USER MOD Set 4.2: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 21 THR OG1 : rot 170:sc= 0 USER MOD Set 5.2: B 133 LYS NZ :NH3+ -175:sc= 0.888 (180deg=0.844) USER MOD Single : A 1 MET CE :methyl 175:sc= 0 (180deg=-0.0253) USER MOD Single : A 1 MET N :NH3+ 148:sc= 1.13 (180deg=0.24) USER MOD Single : A 4 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -126:sc= -0.0426 (180deg=-0.488) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 33 HIS : no HE2:sc= 0.904 K(o=0.9,f=-2.8!) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -152:sc= 1.24 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.319 K(o=-0.32,f=-2.6!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 158:sc= 0.752 (180deg=-0.175) USER MOD Single : A 53 GLN : amide:sc= -1.66 K(o=-1.7,f=-7.4!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc=-0.00764 K(o=-0.0076,f=-2!) USER MOD Single : A 65 MET CE :methyl -116:sc= -0.122 (180deg=-0.615) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 76 LYS NZ :NH3+ 176:sc= 1.13 (180deg=1.12) USER MOD Single : B 77 HIS : no HE2:sc= -0.048 K(o=-0.048,f=-1.8!) USER MOD Single : B 80 SER OG : rot 180:sc= 0 USER MOD Single : B 83 MET CE :methyl -172:sc= -0.0184 (180deg=-0.188) USER MOD Single : B 84 THR OG1 : rot 180:sc= 0 USER MOD Single : B 97 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 LYS NZ :NH3+ 164:sc= 1.77 (180deg=1.34) USER MOD Single : B 110 ASN : amide:sc= 0.771 K(o=0.77,f=0) USER MOD Single : B 111 LYS NZ :NH3+ -155:sc= 1.16 (180deg=0.632) USER MOD Single : B 112 LYS NZ :NH3+ -169:sc= 0.773 (180deg=0.501) USER MOD Single : B 114 CYS SG : rot -102:sc= -0.0973 USER MOD Single : B 117 SER OG : rot 180:sc= 0.235 USER MOD Single : B 119 HIS : no HD1:sc=-0.00771 X(o=-0.0077,f=-0.091) USER MOD Single : B 120 SER OG : rot 180:sc= 0.053 USER MOD Single : B 121 MET CE :methyl -171:sc= -0.113 (180deg=-0.256) USER MOD Single : B 123 THR OG1 : rot 87:sc= 1.28 USER MOD Single : B 127 THR OG1 : rot 81:sc= 0.833 USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 130 LYS NZ :NH3+ -179:sc= 1.15 (180deg=1.15) USER MOD Single : B 131 THR OG1 : rot -74:sc= 1.35 USER MOD Single : B 134 THR OG1 : rot 180:sc= 0 USER MOD Single : B 136 SER OG : rot 180:sc= 0 USER MOD Single : B 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.794 -7.604 28.166 1.00 0.00 N ATOM 2 CA MET A 1 -9.693 -6.717 27.731 1.00 0.00 C ATOM 3 C MET A 1 -8.359 -7.440 27.772 1.00 0.00 C ATOM 4 O MET A 1 -8.148 -8.307 28.621 1.00 0.00 O ATOM 5 CB MET A 1 -9.556 -5.460 28.602 1.00 0.00 C ATOM 6 CG MET A 1 -10.748 -4.510 28.531 1.00 0.00 C ATOM 7 SD MET A 1 -12.250 -5.043 29.405 1.00 0.00 S ATOM 8 CE MET A 1 -11.753 -4.794 31.133 1.00 0.00 C ATOM 0 H1 MET A 1 -11.528 -7.040 28.640 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.205 -8.079 27.337 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.425 -8.317 28.827 1.00 0.00 H new ATOM 0 HA MET A 1 -9.949 -6.422 26.713 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.412 -5.765 29.638 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.658 -4.920 28.301 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.441 -3.545 28.934 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.999 -4.353 27.482 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.601 -4.993 31.788 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.937 -5.474 31.379 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.422 -3.765 31.272 1.00 0.00 H new ATOM 20 N GLY A 2 -7.424 -7.016 26.920 1.00 0.00 N ATOM 21 CA GLY A 2 -6.052 -7.518 26.899 1.00 0.00 C ATOM 22 C GLY A 2 -5.439 -7.442 25.504 1.00 0.00 C ATOM 23 O GLY A 2 -4.973 -6.376 25.105 1.00 0.00 O ATOM 0 H GLY A 2 -7.604 -6.302 26.214 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -5.444 -6.940 27.595 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -6.038 -8.551 27.246 1.00 0.00 H new ATOM 27 N VAL A 3 -5.448 -8.560 24.779 1.00 0.00 N ATOM 28 CA VAL A 3 -4.947 -8.676 23.400 1.00 0.00 C ATOM 29 C VAL A 3 -5.725 -9.752 22.638 1.00 0.00 C ATOM 30 O VAL A 3 -5.739 -10.918 23.039 1.00 0.00 O ATOM 31 CB VAL A 3 -3.437 -9.017 23.300 1.00 0.00 C ATOM 32 CG1 VAL A 3 -2.544 -7.772 23.213 1.00 0.00 C ATOM 33 CG2 VAL A 3 -2.885 -9.965 24.377 1.00 0.00 C ATOM 0 H VAL A 3 -5.814 -9.440 25.142 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.093 -7.689 22.962 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.394 -9.567 22.360 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.500 -8.077 23.145 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.811 -7.194 22.329 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.686 -7.160 24.103 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.821 -10.131 24.206 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.029 -9.520 25.362 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.413 -10.917 24.329 1.00 0.00 H new ATOM 43 N ASN A 4 -6.326 -9.359 21.514 1.00 0.00 N ATOM 44 CA ASN A 4 -6.985 -10.270 20.581 1.00 0.00 C ATOM 45 C ASN A 4 -6.026 -10.633 19.432 1.00 0.00 C ATOM 46 O ASN A 4 -5.416 -9.762 18.808 1.00 0.00 O ATOM 47 CB ASN A 4 -8.285 -9.631 20.056 1.00 0.00 C ATOM 48 CG ASN A 4 -9.428 -9.599 21.073 1.00 0.00 C ATOM 49 OD1 ASN A 4 -9.310 -10.028 22.218 1.00 0.00 O ATOM 50 ND2 ASN A 4 -10.595 -9.121 20.686 1.00 0.00 N ATOM 0 H ASN A 4 -6.368 -8.382 21.223 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.250 -11.193 21.097 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -8.071 -8.611 19.736 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.615 -10.180 19.174 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -11.383 -9.111 21.334 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -10.710 -8.761 19.739 1.00 0.00 H new ATOM 57 N SER A 5 -5.895 -11.923 19.134 1.00 0.00 N ATOM 58 CA SER A 5 -5.132 -12.426 17.986 1.00 0.00 C ATOM 59 C SER A 5 -6.067 -12.682 16.795 1.00 0.00 C ATOM 60 O SER A 5 -7.171 -13.193 16.988 1.00 0.00 O ATOM 61 CB SER A 5 -4.410 -13.731 18.359 1.00 0.00 C ATOM 62 OG SER A 5 -3.425 -13.505 19.351 1.00 0.00 O ATOM 0 H SER A 5 -6.322 -12.664 19.690 1.00 0.00 H new ATOM 0 HA SER A 5 -4.395 -11.673 17.707 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.135 -14.460 18.722 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.944 -14.159 17.471 1.00 0.00 H new ATOM 0 HG SER A 5 -2.982 -14.351 19.571 1.00 0.00 H new ATOM 68 N VAL A 6 -5.643 -12.388 15.562 1.00 0.00 N ATOM 69 CA VAL A 6 -6.410 -12.734 14.350 1.00 0.00 C ATOM 70 C VAL A 6 -5.489 -13.117 13.193 1.00 0.00 C ATOM 71 O VAL A 6 -4.386 -12.576 13.061 1.00 0.00 O ATOM 72 CB VAL A 6 -7.396 -11.602 13.953 1.00 0.00 C ATOM 73 CG1 VAL A 6 -6.684 -10.337 13.448 1.00 0.00 C ATOM 74 CG2 VAL A 6 -8.428 -12.029 12.896 1.00 0.00 C ATOM 0 H VAL A 6 -4.764 -11.906 15.371 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.011 -13.612 14.586 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.918 -11.377 14.883 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.425 -9.582 13.186 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.032 -9.949 14.231 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.089 -10.581 12.568 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -9.083 -11.189 12.667 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.911 -12.344 11.989 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.022 -12.858 13.281 1.00 0.00 H new ATOM 84 N THR A 7 -5.973 -14.037 12.354 1.00 0.00 N ATOM 85 CA THR A 7 -5.374 -14.388 11.064 1.00 0.00 C ATOM 86 C THR A 7 -6.289 -13.901 9.949 1.00 0.00 C ATOM 87 O THR A 7 -7.463 -14.259 9.876 1.00 0.00 O ATOM 88 CB THR A 7 -5.138 -15.897 10.965 1.00 0.00 C ATOM 89 OG1 THR A 7 -4.366 -16.309 12.073 1.00 0.00 O ATOM 90 CG2 THR A 7 -4.359 -16.265 9.700 1.00 0.00 C ATOM 0 H THR A 7 -6.816 -14.573 12.560 1.00 0.00 H new ATOM 0 HA THR A 7 -4.402 -13.904 10.969 1.00 0.00 H new ATOM 0 HB THR A 7 -6.111 -16.387 10.940 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.210 -17.275 12.022 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.211 -17.344 9.665 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.920 -15.947 8.822 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.390 -15.766 9.711 1.00 0.00 H new ATOM 98 N ILE A 8 -5.757 -13.076 9.057 1.00 0.00 N ATOM 99 CA ILE A 8 -6.427 -12.610 7.840 1.00 0.00 C ATOM 100 C ILE A 8 -5.712 -13.228 6.634 1.00 0.00 C ATOM 101 O ILE A 8 -4.501 -13.105 6.479 1.00 0.00 O ATOM 102 CB ILE A 8 -6.468 -11.058 7.817 1.00 0.00 C ATOM 103 CG1 ILE A 8 -7.267 -10.524 9.035 1.00 0.00 C ATOM 104 CG2 ILE A 8 -7.059 -10.519 6.502 1.00 0.00 C ATOM 105 CD1 ILE A 8 -7.580 -9.020 8.999 1.00 0.00 C ATOM 0 H ILE A 8 -4.816 -12.697 9.160 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.468 -12.933 7.807 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.441 -10.699 7.881 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.206 -11.073 9.103 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.704 -10.741 9.943 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.069 -9.429 6.527 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.449 -10.857 5.664 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.077 -10.889 6.382 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.140 -8.744 9.892 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.648 -8.455 8.966 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.174 -8.793 8.113 1.00 0.00 H new ATOM 117 N SER A 9 -6.445 -13.887 5.750 1.00 0.00 N ATOM 118 CA SER A 9 -5.940 -14.247 4.425 1.00 0.00 C ATOM 119 C SER A 9 -5.794 -12.964 3.595 1.00 0.00 C ATOM 120 O SER A 9 -6.772 -12.229 3.479 1.00 0.00 O ATOM 121 CB SER A 9 -6.913 -15.208 3.735 1.00 0.00 C ATOM 122 OG SER A 9 -7.099 -16.371 4.517 1.00 0.00 O ATOM 0 H SER A 9 -7.404 -14.188 5.925 1.00 0.00 H new ATOM 0 HA SER A 9 -4.974 -14.743 4.518 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.871 -14.713 3.576 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.528 -15.481 2.752 1.00 0.00 H new ATOM 0 HG SER A 9 -7.724 -16.974 4.063 1.00 0.00 H new ATOM 128 N VAL A 10 -4.608 -12.690 3.036 1.00 0.00 N ATOM 129 CA VAL A 10 -4.278 -11.491 2.242 1.00 0.00 C ATOM 130 C VAL A 10 -3.701 -11.971 0.911 1.00 0.00 C ATOM 131 O VAL A 10 -2.518 -12.286 0.786 1.00 0.00 O ATOM 132 CB VAL A 10 -3.319 -10.521 2.970 1.00 0.00 C ATOM 133 CG1 VAL A 10 -2.915 -9.339 2.069 1.00 0.00 C ATOM 134 CG2 VAL A 10 -4.008 -9.931 4.210 1.00 0.00 C ATOM 0 H VAL A 10 -3.814 -13.324 3.127 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.184 -10.907 2.081 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.434 -11.096 3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.241 -8.679 2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.412 -9.716 1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.806 -8.785 1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.325 -9.249 4.716 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.903 -9.388 3.905 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.286 -10.737 4.890 1.00 0.00 H new ATOM 144 N GLU A 11 -4.605 -12.118 -0.050 1.00 0.00 N ATOM 145 CA GLU A 11 -4.417 -12.903 -1.278 1.00 0.00 C ATOM 146 C GLU A 11 -3.492 -12.258 -2.328 1.00 0.00 C ATOM 147 O GLU A 11 -2.874 -12.972 -3.115 1.00 0.00 O ATOM 148 CB GLU A 11 -5.800 -13.275 -1.841 1.00 0.00 C ATOM 149 CG GLU A 11 -5.736 -14.370 -2.918 1.00 0.00 C ATOM 150 CD GLU A 11 -7.004 -15.220 -2.916 1.00 0.00 C ATOM 151 OE1 GLU A 11 -8.021 -14.856 -3.554 1.00 0.00 O ATOM 152 OE2 GLU A 11 -7.037 -16.266 -2.223 1.00 0.00 O ATOM 0 H GLU A 11 -5.525 -11.680 0.000 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.874 -13.809 -1.008 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.439 -13.613 -1.025 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.266 -12.385 -2.263 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.603 -13.912 -3.898 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.868 -15.006 -2.743 1.00 0.00 H new ATOM 159 N GLY A 12 -3.361 -10.925 -2.343 1.00 0.00 N ATOM 160 CA GLY A 12 -2.558 -10.190 -3.340 1.00 0.00 C ATOM 161 C GLY A 12 -1.115 -9.880 -2.923 1.00 0.00 C ATOM 162 O GLY A 12 -0.370 -9.276 -3.695 1.00 0.00 O ATOM 0 H GLY A 12 -3.812 -10.317 -1.659 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.535 -10.770 -4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.062 -9.251 -3.567 1.00 0.00 H new ATOM 166 N MET A 13 -0.710 -10.258 -1.708 1.00 0.00 N ATOM 167 CA MET A 13 0.596 -9.931 -1.119 1.00 0.00 C ATOM 168 C MET A 13 1.593 -11.082 -1.317 1.00 0.00 C ATOM 169 O MET A 13 1.392 -12.167 -0.770 1.00 0.00 O ATOM 170 CB MET A 13 0.366 -9.601 0.355 1.00 0.00 C ATOM 171 CG MET A 13 1.633 -9.152 1.089 1.00 0.00 C ATOM 172 SD MET A 13 1.438 -9.274 2.876 1.00 0.00 S ATOM 173 CE MET A 13 1.658 -11.068 3.009 1.00 0.00 C ATOM 0 H MET A 13 -1.296 -10.816 -1.087 1.00 0.00 H new ATOM 0 HA MET A 13 1.041 -9.068 -1.615 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.385 -8.814 0.429 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.042 -10.479 0.856 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.476 -9.766 0.771 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.867 -8.123 0.817 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.808 -11.501 3.537 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.724 -11.501 2.011 1.00 0.00 H new ATOM 0 HE3 MET A 13 2.574 -11.282 3.559 1.00 0.00 H new ATOM 183 N THR A 14 2.658 -10.837 -2.095 1.00 0.00 N ATOM 184 CA THR A 14 3.571 -11.876 -2.607 1.00 0.00 C ATOM 185 C THR A 14 5.060 -11.611 -2.377 1.00 0.00 C ATOM 186 O THR A 14 5.852 -12.512 -2.653 1.00 0.00 O ATOM 187 CB THR A 14 3.334 -12.105 -4.110 1.00 0.00 C ATOM 188 OG1 THR A 14 3.788 -11.001 -4.860 1.00 0.00 O ATOM 189 CG2 THR A 14 1.863 -12.328 -4.472 1.00 0.00 C ATOM 0 H THR A 14 2.915 -9.896 -2.392 1.00 0.00 H new ATOM 0 HA THR A 14 3.327 -12.764 -2.023 1.00 0.00 H new ATOM 0 HB THR A 14 3.892 -13.010 -4.350 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.630 -11.166 -5.813 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.772 -12.482 -5.547 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.488 -13.206 -3.946 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.280 -11.454 -4.181 1.00 0.00 H new ATOM 197 N CYS A 15 5.459 -10.417 -1.912 1.00 0.00 N ATOM 198 CA CYS A 15 6.852 -9.973 -1.938 1.00 0.00 C ATOM 199 C CYS A 15 7.347 -9.123 -0.730 1.00 0.00 C ATOM 200 O CYS A 15 6.590 -8.714 0.160 1.00 0.00 O ATOM 201 CB CYS A 15 7.024 -9.245 -3.277 1.00 0.00 C ATOM 202 SG CYS A 15 6.350 -7.557 -3.126 1.00 0.00 S ATOM 0 H CYS A 15 4.819 -9.734 -1.507 1.00 0.00 H new ATOM 0 HA CYS A 15 7.492 -10.850 -1.840 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.078 -9.206 -3.552 1.00 0.00 H new ATOM 0 HB3 CYS A 15 6.508 -9.787 -4.069 1.00 0.00 H new ATOM 207 N ASN A 16 8.661 -8.855 -0.742 1.00 0.00 N ATOM 208 CA ASN A 16 9.440 -8.244 0.343 1.00 0.00 C ATOM 209 C ASN A 16 9.200 -6.731 0.554 1.00 0.00 C ATOM 210 O ASN A 16 9.383 -6.246 1.673 1.00 0.00 O ATOM 211 CB ASN A 16 10.935 -8.516 0.107 1.00 0.00 C ATOM 212 CG ASN A 16 11.295 -9.981 0.332 1.00 0.00 C ATOM 213 OD1 ASN A 16 11.643 -10.386 1.436 1.00 0.00 O ATOM 214 ND2 ASN A 16 11.211 -10.811 -0.689 1.00 0.00 N ATOM 0 H ASN A 16 9.240 -9.071 -1.554 1.00 0.00 H new ATOM 0 HA ASN A 16 9.091 -8.713 1.263 1.00 0.00 H new ATOM 0 HB2 ASN A 16 11.198 -8.231 -0.912 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.527 -7.891 0.776 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.436 -11.798 -0.564 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.921 -10.466 -1.604 1.00 0.00 H new ATOM 221 N SER A 17 8.784 -5.979 -0.469 1.00 0.00 N ATOM 222 CA SER A 17 8.412 -4.554 -0.340 1.00 0.00 C ATOM 223 C SER A 17 6.919 -4.349 -0.029 1.00 0.00 C ATOM 224 O SER A 17 6.562 -3.390 0.666 1.00 0.00 O ATOM 225 CB SER A 17 8.857 -3.747 -1.571 1.00 0.00 C ATOM 226 OG SER A 17 8.359 -4.225 -2.812 1.00 0.00 O ATOM 0 H SER A 17 8.693 -6.338 -1.419 1.00 0.00 H new ATOM 0 HA SER A 17 8.953 -4.169 0.524 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.539 -2.712 -1.443 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.946 -3.743 -1.610 1.00 0.00 H new ATOM 0 HG SER A 17 7.460 -3.866 -2.964 1.00 0.00 H new ATOM 232 N CYS A 18 6.054 -5.287 -0.435 1.00 0.00 N ATOM 233 CA CYS A 18 4.663 -5.356 -0.026 1.00 0.00 C ATOM 234 C CYS A 18 4.562 -5.597 1.507 1.00 0.00 C ATOM 235 O CYS A 18 3.956 -4.784 2.209 1.00 0.00 O ATOM 236 CB CYS A 18 4.018 -6.439 -0.916 1.00 0.00 C ATOM 237 SG CYS A 18 4.107 -5.925 -2.659 1.00 0.00 S ATOM 0 H CYS A 18 6.319 -6.036 -1.075 1.00 0.00 H new ATOM 0 HA CYS A 18 4.116 -4.425 -0.172 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.532 -7.390 -0.780 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.979 -6.593 -0.624 1.00 0.00 H new ATOM 242 N VAL A 19 5.217 -6.642 2.038 1.00 0.00 N ATOM 243 CA VAL A 19 5.196 -6.986 3.489 1.00 0.00 C ATOM 244 C VAL A 19 5.702 -5.866 4.419 1.00 0.00 C ATOM 245 O VAL A 19 5.221 -5.731 5.546 1.00 0.00 O ATOM 246 CB VAL A 19 5.967 -8.285 3.837 1.00 0.00 C ATOM 247 CG1 VAL A 19 5.258 -9.524 3.270 1.00 0.00 C ATOM 248 CG2 VAL A 19 7.440 -8.240 3.416 1.00 0.00 C ATOM 0 H VAL A 19 5.782 -7.282 1.479 1.00 0.00 H new ATOM 0 HA VAL A 19 4.132 -7.137 3.673 1.00 0.00 H new ATOM 0 HB VAL A 19 5.964 -8.361 4.924 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.824 -10.418 3.531 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.255 -9.593 3.691 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.192 -9.441 2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.925 -9.178 3.687 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.506 -8.096 2.338 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.938 -7.414 3.924 1.00 0.00 H new ATOM 258 N TRP A 20 6.633 -5.025 3.950 1.00 0.00 N ATOM 259 CA TRP A 20 7.118 -3.850 4.687 1.00 0.00 C ATOM 260 C TRP A 20 5.976 -2.862 5.000 1.00 0.00 C ATOM 261 O TRP A 20 5.915 -2.293 6.092 1.00 0.00 O ATOM 262 CB TRP A 20 8.240 -3.207 3.850 1.00 0.00 C ATOM 263 CG TRP A 20 8.802 -1.910 4.351 1.00 0.00 C ATOM 264 CD1 TRP A 20 9.958 -1.753 5.034 1.00 0.00 C ATOM 265 CD2 TRP A 20 8.242 -0.567 4.227 1.00 0.00 C ATOM 266 NE1 TRP A 20 10.153 -0.417 5.328 1.00 0.00 N ATOM 267 CE2 TRP A 20 9.120 0.363 4.857 1.00 0.00 C ATOM 268 CE3 TRP A 20 7.052 -0.048 3.679 1.00 0.00 C ATOM 269 CZ2 TRP A 20 8.831 1.736 4.932 1.00 0.00 C ATOM 270 CZ3 TRP A 20 6.701 1.300 3.850 1.00 0.00 C ATOM 271 CH2 TRP A 20 7.597 2.202 4.449 1.00 0.00 C ATOM 0 H TRP A 20 7.076 -5.142 3.039 1.00 0.00 H new ATOM 0 HA TRP A 20 7.513 -4.148 5.658 1.00 0.00 H new ATOM 0 HB2 TRP A 20 9.058 -3.923 3.772 1.00 0.00 H new ATOM 0 HB3 TRP A 20 7.860 -3.045 2.841 1.00 0.00 H new ATOM 0 HD1 TRP A 20 10.629 -2.553 5.309 1.00 0.00 H new ATOM 0 HE1 TRP A 20 10.962 -0.053 5.832 1.00 0.00 H new ATOM 0 HE3 TRP A 20 6.398 -0.699 3.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 9.548 2.424 5.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 5.734 1.647 3.518 1.00 0.00 H new ATOM 0 HH2 TRP A 20 7.338 3.247 4.537 1.00 0.00 H new ATOM 282 N THR A 21 5.033 -2.712 4.061 1.00 0.00 N ATOM 283 CA THR A 21 3.962 -1.701 4.089 1.00 0.00 C ATOM 284 C THR A 21 3.000 -1.932 5.239 1.00 0.00 C ATOM 285 O THR A 21 2.676 -0.994 5.961 1.00 0.00 O ATOM 286 CB THR A 21 3.218 -1.678 2.747 1.00 0.00 C ATOM 287 OG1 THR A 21 4.170 -1.678 1.703 1.00 0.00 O ATOM 288 CG2 THR A 21 2.358 -0.423 2.607 1.00 0.00 C ATOM 0 H THR A 21 4.991 -3.308 3.234 1.00 0.00 H new ATOM 0 HA THR A 21 4.425 -0.727 4.249 1.00 0.00 H new ATOM 0 HB THR A 21 2.571 -2.554 2.699 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.717 -1.826 0.847 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.845 -0.439 1.645 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.622 -0.395 3.410 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.993 0.461 2.665 1.00 0.00 H new ATOM 296 N ILE A 22 2.597 -3.186 5.462 1.00 0.00 N ATOM 297 CA ILE A 22 1.636 -3.529 6.523 1.00 0.00 C ATOM 298 C ILE A 22 2.216 -3.173 7.898 1.00 0.00 C ATOM 299 O ILE A 22 1.521 -2.594 8.724 1.00 0.00 O ATOM 300 CB ILE A 22 1.205 -5.018 6.459 1.00 0.00 C ATOM 301 CG1 ILE A 22 0.509 -5.471 5.150 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.200 -5.283 7.602 1.00 0.00 C ATOM 303 CD1 ILE A 22 1.362 -5.510 3.882 1.00 0.00 C ATOM 0 H ILE A 22 2.922 -3.987 4.920 1.00 0.00 H new ATOM 0 HA ILE A 22 0.735 -2.937 6.362 1.00 0.00 H new ATOM 0 HB ILE A 22 2.136 -5.580 6.531 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.100 -6.468 5.313 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.335 -4.806 4.969 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.116 -6.326 7.574 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.675 -5.073 8.560 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.670 -4.637 7.479 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.751 -5.843 3.043 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.751 -4.513 3.674 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.193 -6.201 4.023 1.00 0.00 H new ATOM 315 N GLU A 23 3.496 -3.474 8.124 1.00 0.00 N ATOM 316 CA GLU A 23 4.191 -3.260 9.391 1.00 0.00 C ATOM 317 C GLU A 23 4.229 -1.777 9.793 1.00 0.00 C ATOM 318 O GLU A 23 3.964 -1.436 10.949 1.00 0.00 O ATOM 319 CB GLU A 23 5.605 -3.859 9.255 1.00 0.00 C ATOM 320 CG GLU A 23 6.411 -3.755 10.550 1.00 0.00 C ATOM 321 CD GLU A 23 7.708 -4.564 10.557 1.00 0.00 C ATOM 322 OE1 GLU A 23 8.249 -4.934 9.487 1.00 0.00 O ATOM 323 OE2 GLU A 23 8.211 -4.800 11.680 1.00 0.00 O ATOM 0 H GLU A 23 4.094 -3.886 7.408 1.00 0.00 H new ATOM 0 HA GLU A 23 3.650 -3.758 10.196 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.526 -4.906 8.963 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.139 -3.345 8.456 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.650 -2.707 10.731 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.786 -4.087 11.379 1.00 0.00 H new ATOM 330 N GLN A 24 4.560 -0.906 8.837 1.00 0.00 N ATOM 331 CA GLN A 24 4.624 0.545 9.022 1.00 0.00 C ATOM 332 C GLN A 24 3.231 1.193 9.097 1.00 0.00 C ATOM 333 O GLN A 24 3.048 2.142 9.858 1.00 0.00 O ATOM 334 CB GLN A 24 5.470 1.152 7.891 1.00 0.00 C ATOM 335 CG GLN A 24 6.936 0.666 7.874 1.00 0.00 C ATOM 336 CD GLN A 24 7.832 1.304 8.937 1.00 0.00 C ATOM 337 OE1 GLN A 24 8.298 0.663 9.877 1.00 0.00 O ATOM 338 NE2 GLN A 24 8.124 2.584 8.844 1.00 0.00 N ATOM 0 H GLN A 24 4.797 -1.198 7.889 1.00 0.00 H new ATOM 0 HA GLN A 24 5.095 0.752 9.983 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.007 0.910 6.934 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.459 2.238 7.985 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.948 -0.415 8.010 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.361 0.869 6.891 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.750 3.138 8.073 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.724 3.022 9.542 1.00 0.00 H new ATOM 347 N GLN A 25 2.246 0.708 8.326 1.00 0.00 N ATOM 348 CA GLN A 25 0.870 1.218 8.378 1.00 0.00 C ATOM 349 C GLN A 25 0.164 0.817 9.680 1.00 0.00 C ATOM 350 O GLN A 25 -0.552 1.631 10.265 1.00 0.00 O ATOM 351 CB GLN A 25 0.070 0.695 7.166 1.00 0.00 C ATOM 352 CG GLN A 25 -1.334 1.317 7.045 1.00 0.00 C ATOM 353 CD GLN A 25 -1.333 2.772 6.569 1.00 0.00 C ATOM 354 OE1 GLN A 25 -1.402 3.726 7.343 1.00 0.00 O ATOM 355 NE2 GLN A 25 -1.269 3.000 5.280 1.00 0.00 N ATOM 0 H GLN A 25 2.381 -0.046 7.652 1.00 0.00 H new ATOM 0 HA GLN A 25 0.917 2.306 8.346 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.630 0.901 6.254 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.026 -0.388 7.243 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.926 0.719 6.352 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.828 1.263 8.015 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.211 2.219 4.626 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.277 3.958 4.931 1.00 0.00 H new ATOM 364 N ILE A 26 0.304 -0.441 10.120 1.00 0.00 N ATOM 365 CA ILE A 26 -0.386 -0.928 11.320 1.00 0.00 C ATOM 366 C ILE A 26 0.219 -0.380 12.614 1.00 0.00 C ATOM 367 O ILE A 26 -0.537 0.051 13.485 1.00 0.00 O ATOM 368 CB ILE A 26 -0.599 -2.461 11.262 1.00 0.00 C ATOM 369 CG1 ILE A 26 -2.072 -2.794 11.585 1.00 0.00 C ATOM 370 CG2 ILE A 26 0.393 -3.255 12.135 1.00 0.00 C ATOM 371 CD1 ILE A 26 -3.024 -2.415 10.438 1.00 0.00 C ATOM 0 H ILE A 26 0.889 -1.139 9.662 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.394 -0.513 11.333 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.383 -2.785 10.244 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.164 -3.860 11.792 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.371 -2.266 12.491 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.184 -4.321 12.045 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.411 -3.055 11.802 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.286 -2.951 13.176 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.047 -2.669 10.715 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.955 -1.344 10.247 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.745 -2.963 9.538 1.00 0.00 H new ATOM 383 N GLY A 27 1.552 -0.276 12.708 1.00 0.00 N ATOM 384 CA GLY A 27 2.233 0.467 13.790 1.00 0.00 C ATOM 385 C GLY A 27 1.659 1.871 14.071 1.00 0.00 C ATOM 386 O GLY A 27 1.583 2.292 15.227 1.00 0.00 O ATOM 0 H GLY A 27 2.193 -0.703 12.039 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.179 -0.122 14.706 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.288 0.565 13.536 1.00 0.00 H new ATOM 390 N LYS A 28 1.149 2.567 13.047 1.00 0.00 N ATOM 391 CA LYS A 28 0.471 3.873 13.181 1.00 0.00 C ATOM 392 C LYS A 28 -0.927 3.793 13.849 1.00 0.00 C ATOM 393 O LYS A 28 -1.473 4.812 14.273 1.00 0.00 O ATOM 394 CB LYS A 28 0.445 4.524 11.783 1.00 0.00 C ATOM 395 CG LYS A 28 -0.021 5.991 11.777 1.00 0.00 C ATOM 396 CD LYS A 28 0.142 6.652 10.400 1.00 0.00 C ATOM 397 CE LYS A 28 1.615 6.941 10.090 1.00 0.00 C ATOM 398 NZ LYS A 28 1.786 7.562 8.759 1.00 0.00 N ATOM 0 H LYS A 28 1.194 2.237 12.083 1.00 0.00 H new ATOM 0 HA LYS A 28 1.032 4.500 13.873 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.444 4.471 11.351 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.213 3.943 11.137 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.068 6.038 12.078 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.549 6.553 12.517 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.272 6.001 9.631 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.427 7.581 10.371 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.024 7.602 10.854 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.184 6.012 10.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.796 7.742 8.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.419 6.921 8.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.264 8.461 8.726 1.00 0.00 H new ATOM 412 N VAL A 29 -1.509 2.598 13.993 1.00 0.00 N ATOM 413 CA VAL A 29 -2.792 2.366 14.692 1.00 0.00 C ATOM 414 C VAL A 29 -2.593 2.232 16.220 1.00 0.00 C ATOM 415 O VAL A 29 -3.548 2.365 16.980 1.00 0.00 O ATOM 416 CB VAL A 29 -3.538 1.134 14.112 1.00 0.00 C ATOM 417 CG1 VAL A 29 -4.999 1.048 14.585 1.00 0.00 C ATOM 418 CG2 VAL A 29 -3.599 1.160 12.570 1.00 0.00 C ATOM 0 H VAL A 29 -1.098 1.742 13.621 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.417 3.243 14.520 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.963 0.281 14.472 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.471 0.168 14.149 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.026 0.973 15.672 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.537 1.942 14.270 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.130 0.278 12.212 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.123 2.058 12.242 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.587 1.163 12.166 1.00 0.00 H new ATOM 428 N ASN A 30 -1.351 1.994 16.679 1.00 0.00 N ATOM 429 CA ASN A 30 -0.868 2.034 18.074 1.00 0.00 C ATOM 430 C ASN A 30 -1.267 0.816 18.934 1.00 0.00 C ATOM 431 O ASN A 30 -0.441 0.316 19.702 1.00 0.00 O ATOM 432 CB ASN A 30 -1.271 3.348 18.774 1.00 0.00 C ATOM 433 CG ASN A 30 -0.621 3.456 20.147 1.00 0.00 C ATOM 434 OD1 ASN A 30 -1.157 2.991 21.148 1.00 0.00 O ATOM 435 ND2 ASN A 30 0.576 4.004 20.211 1.00 0.00 N ATOM 0 H ASN A 30 -0.599 1.749 16.035 1.00 0.00 H new ATOM 0 HA ASN A 30 0.218 1.988 17.989 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.974 4.198 18.159 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.355 3.392 18.876 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.071 4.046 21.102 1.00 0.00 H new ATOM 0 HD22 ASN A 30 1.008 4.386 19.369 1.00 0.00 H new ATOM 442 N GLY A 31 -2.507 0.322 18.804 1.00 0.00 N ATOM 443 CA GLY A 31 -3.057 -0.774 19.616 1.00 0.00 C ATOM 444 C GLY A 31 -2.464 -2.144 19.278 1.00 0.00 C ATOM 445 O GLY A 31 -2.467 -3.037 20.121 1.00 0.00 O ATOM 0 H GLY A 31 -3.170 0.681 18.117 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.878 -0.560 20.670 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.138 -0.811 19.477 1.00 0.00 H new ATOM 449 N VAL A 32 -1.940 -2.307 18.065 1.00 0.00 N ATOM 450 CA VAL A 32 -1.117 -3.446 17.623 1.00 0.00 C ATOM 451 C VAL A 32 -0.035 -3.818 18.646 1.00 0.00 C ATOM 452 O VAL A 32 0.715 -2.968 19.122 1.00 0.00 O ATOM 453 CB VAL A 32 -0.520 -3.236 16.221 1.00 0.00 C ATOM 454 CG1 VAL A 32 -1.690 -3.212 15.220 1.00 0.00 C ATOM 455 CG2 VAL A 32 0.339 -1.966 16.096 1.00 0.00 C ATOM 0 H VAL A 32 -2.080 -1.620 17.324 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.797 -4.295 17.553 1.00 0.00 H new ATOM 0 HB VAL A 32 0.166 -4.056 16.011 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.303 -3.064 14.212 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.229 -4.158 15.267 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.368 -2.396 15.472 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.725 -1.886 15.080 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.270 -1.091 16.322 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.172 -2.020 16.797 1.00 0.00 H new ATOM 465 N HIS A 33 0.020 -5.100 19.007 1.00 0.00 N ATOM 466 CA HIS A 33 1.002 -5.653 19.951 1.00 0.00 C ATOM 467 C HIS A 33 2.032 -6.578 19.277 1.00 0.00 C ATOM 468 O HIS A 33 3.129 -6.729 19.806 1.00 0.00 O ATOM 469 CB HIS A 33 0.261 -6.372 21.092 1.00 0.00 C ATOM 470 CG HIS A 33 -0.127 -5.454 22.229 1.00 0.00 C ATOM 471 ND1 HIS A 33 -0.974 -4.372 22.167 1.00 0.00 N ATOM 472 CD2 HIS A 33 0.321 -5.532 23.522 1.00 0.00 C ATOM 473 CE1 HIS A 33 -1.029 -3.812 23.386 1.00 0.00 C ATOM 474 NE2 HIS A 33 -0.238 -4.475 24.254 1.00 0.00 N ATOM 0 H HIS A 33 -0.628 -5.800 18.646 1.00 0.00 H new ATOM 0 HA HIS A 33 1.579 -4.822 20.357 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.637 -6.842 20.692 1.00 0.00 H new ATOM 0 HB3 HIS A 33 0.894 -7.171 21.479 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -1.474 -4.051 21.338 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.993 -6.283 23.912 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.626 -2.948 23.637 1.00 0.00 H new ATOM 482 N HIS A 34 1.728 -7.181 18.123 1.00 0.00 N ATOM 483 CA HIS A 34 2.721 -7.808 17.242 1.00 0.00 C ATOM 484 C HIS A 34 2.147 -7.930 15.818 1.00 0.00 C ATOM 485 O HIS A 34 0.950 -8.205 15.681 1.00 0.00 O ATOM 486 CB HIS A 34 3.139 -9.182 17.798 1.00 0.00 C ATOM 487 CG HIS A 34 4.389 -9.728 17.155 1.00 0.00 C ATOM 488 ND1 HIS A 34 4.460 -10.410 15.964 1.00 0.00 N ATOM 489 CD2 HIS A 34 5.664 -9.651 17.649 1.00 0.00 C ATOM 490 CE1 HIS A 34 5.740 -10.746 15.745 1.00 0.00 C ATOM 491 NE2 HIS A 34 6.517 -10.315 16.756 1.00 0.00 N ATOM 0 H HIS A 34 0.774 -7.249 17.769 1.00 0.00 H new ATOM 0 HA HIS A 34 3.613 -7.183 17.200 1.00 0.00 H new ATOM 0 HB2 HIS A 34 3.298 -9.099 18.873 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.323 -9.890 17.650 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.961 -9.164 18.566 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.097 -11.286 14.880 1.00 0.00 H new ATOM 0 HE2 HIS A 34 7.524 -10.445 16.853 1.00 0.00 H new ATOM 499 N ILE A 35 2.968 -7.755 14.774 1.00 0.00 N ATOM 500 CA ILE A 35 2.586 -7.959 13.363 1.00 0.00 C ATOM 501 C ILE A 35 3.525 -8.961 12.661 1.00 0.00 C ATOM 502 O ILE A 35 4.749 -8.839 12.724 1.00 0.00 O ATOM 503 CB ILE A 35 2.460 -6.588 12.623 1.00 0.00 C ATOM 504 CG1 ILE A 35 1.916 -6.748 11.182 1.00 0.00 C ATOM 505 CG2 ILE A 35 3.735 -5.730 12.685 1.00 0.00 C ATOM 506 CD1 ILE A 35 2.938 -6.963 10.058 1.00 0.00 C ATOM 0 H ILE A 35 3.938 -7.461 14.885 1.00 0.00 H new ATOM 0 HA ILE A 35 1.598 -8.418 13.329 1.00 0.00 H new ATOM 0 HB ILE A 35 1.713 -6.023 13.181 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.226 -7.592 11.175 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.334 -5.858 10.942 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.571 -4.795 12.150 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.978 -5.515 13.725 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.561 -6.272 12.224 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.417 -7.059 9.106 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.617 -6.111 10.016 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.507 -7.872 10.253 1.00 0.00 H new ATOM 518 N LYS A 36 2.945 -9.935 11.951 1.00 0.00 N ATOM 519 CA LYS A 36 3.608 -10.847 11.004 1.00 0.00 C ATOM 520 C LYS A 36 2.791 -10.907 9.696 1.00 0.00 C ATOM 521 O LYS A 36 1.563 -10.980 9.741 1.00 0.00 O ATOM 522 CB LYS A 36 3.764 -12.249 11.647 1.00 0.00 C ATOM 523 CG LYS A 36 4.319 -13.303 10.666 1.00 0.00 C ATOM 524 CD LYS A 36 4.659 -14.667 11.292 1.00 0.00 C ATOM 525 CE LYS A 36 3.416 -15.494 11.651 1.00 0.00 C ATOM 526 NZ LYS A 36 3.780 -16.839 12.167 1.00 0.00 N ATOM 0 H LYS A 36 1.945 -10.121 12.024 1.00 0.00 H new ATOM 0 HA LYS A 36 4.606 -10.479 10.765 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.429 -12.176 12.508 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.795 -12.582 12.020 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.588 -13.458 9.872 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.218 -12.902 10.198 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.277 -15.235 10.596 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.254 -14.509 12.191 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.830 -14.963 12.401 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.784 -15.601 10.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.915 -17.368 12.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.318 -17.355 11.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.363 -16.737 13.022 1.00 0.00 H new ATOM 540 N VAL A 37 3.442 -10.905 8.533 1.00 0.00 N ATOM 541 CA VAL A 37 2.787 -11.023 7.215 1.00 0.00 C ATOM 542 C VAL A 37 3.644 -11.879 6.283 1.00 0.00 C ATOM 543 O VAL A 37 4.830 -11.621 6.102 1.00 0.00 O ATOM 544 CB VAL A 37 2.467 -9.649 6.574 1.00 0.00 C ATOM 545 CG1 VAL A 37 1.182 -9.046 7.151 1.00 0.00 C ATOM 546 CG2 VAL A 37 3.590 -8.610 6.696 1.00 0.00 C ATOM 0 H VAL A 37 4.457 -10.820 8.471 1.00 0.00 H new ATOM 0 HA VAL A 37 1.826 -11.513 7.373 1.00 0.00 H new ATOM 0 HB VAL A 37 2.346 -9.873 5.514 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.988 -8.083 6.679 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.346 -9.719 6.959 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.296 -8.907 8.226 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.279 -7.680 6.220 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.802 -8.425 7.749 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.488 -8.986 6.206 1.00 0.00 H new ATOM 556 N SER A 38 3.049 -12.938 5.734 1.00 0.00 N ATOM 557 CA SER A 38 3.788 -14.024 5.081 1.00 0.00 C ATOM 558 C SER A 38 3.660 -14.013 3.553 1.00 0.00 C ATOM 559 O SER A 38 2.625 -14.399 2.998 1.00 0.00 O ATOM 560 CB SER A 38 3.286 -15.368 5.600 1.00 0.00 C ATOM 561 OG SER A 38 3.641 -15.631 6.946 1.00 0.00 O ATOM 0 H SER A 38 2.038 -13.069 5.728 1.00 0.00 H new ATOM 0 HA SER A 38 4.840 -13.871 5.323 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.200 -15.400 5.508 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.683 -16.162 4.968 1.00 0.00 H new ATOM 0 HG SER A 38 3.708 -16.599 7.083 1.00 0.00 H new ATOM 567 N LEU A 39 4.741 -13.628 2.867 1.00 0.00 N ATOM 568 CA LEU A 39 4.780 -13.432 1.411 1.00 0.00 C ATOM 569 C LEU A 39 4.508 -14.706 0.595 1.00 0.00 C ATOM 570 O LEU A 39 3.987 -14.618 -0.513 1.00 0.00 O ATOM 571 CB LEU A 39 6.127 -12.766 1.050 1.00 0.00 C ATOM 572 CG LEU A 39 7.374 -13.678 1.133 1.00 0.00 C ATOM 573 CD1 LEU A 39 7.741 -14.276 -0.234 1.00 0.00 C ATOM 574 CD2 LEU A 39 8.579 -12.885 1.662 1.00 0.00 C ATOM 0 H LEU A 39 5.636 -13.439 3.318 1.00 0.00 H new ATOM 0 HA LEU A 39 3.955 -12.776 1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.055 -12.372 0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.279 -11.914 1.713 1.00 0.00 H new ATOM 0 HG LEU A 39 7.127 -14.492 1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.622 -14.909 -0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.908 -14.872 -0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.954 -13.471 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.450 -13.539 1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.790 -12.053 0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.353 -12.500 2.656 1.00 0.00 H new ATOM 586 N GLU A 40 4.832 -15.887 1.127 1.00 0.00 N ATOM 587 CA GLU A 40 4.637 -17.181 0.455 1.00 0.00 C ATOM 588 C GLU A 40 3.337 -17.892 0.877 1.00 0.00 C ATOM 589 O GLU A 40 2.885 -18.817 0.201 1.00 0.00 O ATOM 590 CB GLU A 40 5.871 -18.087 0.641 1.00 0.00 C ATOM 591 CG GLU A 40 6.163 -18.571 2.069 1.00 0.00 C ATOM 592 CD GLU A 40 6.623 -17.439 2.980 1.00 0.00 C ATOM 593 OE1 GLU A 40 7.827 -17.106 2.990 1.00 0.00 O ATOM 594 OE2 GLU A 40 5.771 -16.831 3.668 1.00 0.00 O ATOM 0 H GLU A 40 5.246 -15.976 2.055 1.00 0.00 H new ATOM 0 HA GLU A 40 4.526 -16.969 -0.608 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.749 -18.963 0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.746 -17.548 0.279 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.266 -19.028 2.486 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.930 -19.345 2.038 1.00 0.00 H new ATOM 601 N GLU A 41 2.717 -17.468 1.984 1.00 0.00 N ATOM 602 CA GLU A 41 1.470 -18.045 2.509 1.00 0.00 C ATOM 603 C GLU A 41 0.230 -17.218 2.134 1.00 0.00 C ATOM 604 O GLU A 41 -0.893 -17.685 2.340 1.00 0.00 O ATOM 605 CB GLU A 41 1.551 -18.167 4.038 1.00 0.00 C ATOM 606 CG GLU A 41 2.701 -19.056 4.524 1.00 0.00 C ATOM 607 CD GLU A 41 2.712 -19.170 6.045 1.00 0.00 C ATOM 608 OE1 GLU A 41 3.242 -18.256 6.718 1.00 0.00 O ATOM 609 OE2 GLU A 41 2.220 -20.194 6.577 1.00 0.00 O ATOM 0 H GLU A 41 3.073 -16.700 2.552 1.00 0.00 H new ATOM 0 HA GLU A 41 1.362 -19.029 2.053 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.666 -17.172 4.468 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.609 -18.569 4.412 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.606 -20.049 4.084 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.651 -18.645 4.182 1.00 0.00 H new ATOM 616 N LYS A 42 0.403 -15.989 1.624 1.00 0.00 N ATOM 617 CA LYS A 42 -0.693 -15.056 1.309 1.00 0.00 C ATOM 618 C LYS A 42 -1.621 -14.842 2.533 1.00 0.00 C ATOM 619 O LYS A 42 -2.853 -14.809 2.429 1.00 0.00 O ATOM 620 CB LYS A 42 -1.419 -15.495 0.014 1.00 0.00 C ATOM 621 CG LYS A 42 -0.808 -14.934 -1.282 1.00 0.00 C ATOM 622 CD LYS A 42 0.609 -15.400 -1.646 1.00 0.00 C ATOM 623 CE LYS A 42 0.711 -16.926 -1.765 1.00 0.00 C ATOM 624 NZ LYS A 42 1.687 -17.336 -2.801 1.00 0.00 N ATOM 0 H LYS A 42 1.325 -15.607 1.415 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.283 -14.068 1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.414 -16.584 -0.039 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.462 -15.183 0.074 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.471 -15.191 -2.108 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.798 -13.847 -1.208 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.907 -14.944 -2.590 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.310 -15.050 -0.888 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.005 -17.346 -0.803 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.269 -17.337 -2.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.726 -18.374 -2.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.394 -16.957 -3.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.628 -16.965 -2.558 1.00 0.00 H new ATOM 638 N ASN A 43 -1.038 -14.715 3.729 1.00 0.00 N ATOM 639 CA ASN A 43 -1.768 -14.481 4.977 1.00 0.00 C ATOM 640 C ASN A 43 -1.028 -13.526 5.928 1.00 0.00 C ATOM 641 O ASN A 43 0.153 -13.216 5.751 1.00 0.00 O ATOM 642 CB ASN A 43 -2.200 -15.813 5.635 1.00 0.00 C ATOM 643 CG ASN A 43 -1.107 -16.594 6.364 1.00 0.00 C ATOM 644 OD1 ASN A 43 0.042 -16.185 6.466 1.00 0.00 O ATOM 645 ND2 ASN A 43 -1.449 -17.737 6.923 1.00 0.00 N ATOM 0 H ASN A 43 -0.028 -14.773 3.858 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.689 -13.956 4.725 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.000 -15.601 6.344 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.622 -16.455 4.862 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.757 -18.279 7.440 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.406 -18.080 6.839 1.00 0.00 H new ATOM 652 N ALA A 44 -1.773 -13.031 6.910 1.00 0.00 N ATOM 653 CA ALA A 44 -1.441 -11.900 7.755 1.00 0.00 C ATOM 654 C ALA A 44 -1.842 -12.237 9.204 1.00 0.00 C ATOM 655 O ALA A 44 -3.031 -12.356 9.512 1.00 0.00 O ATOM 656 CB ALA A 44 -2.196 -10.700 7.145 1.00 0.00 C ATOM 0 H ALA A 44 -2.678 -13.436 7.148 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.379 -11.660 7.796 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.993 -9.805 7.733 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.862 -10.544 6.119 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.267 -10.903 7.151 1.00 0.00 H new ATOM 662 N THR A 45 -0.846 -12.452 10.072 1.00 0.00 N ATOM 663 CA THR A 45 -0.986 -13.014 11.427 1.00 0.00 C ATOM 664 C THR A 45 -0.648 -11.926 12.439 1.00 0.00 C ATOM 665 O THR A 45 0.498 -11.493 12.514 1.00 0.00 O ATOM 666 CB THR A 45 -0.034 -14.209 11.599 1.00 0.00 C ATOM 667 OG1 THR A 45 -0.193 -15.133 10.545 1.00 0.00 O ATOM 668 CG2 THR A 45 -0.294 -14.962 12.903 1.00 0.00 C ATOM 0 H THR A 45 0.123 -12.230 9.842 1.00 0.00 H new ATOM 0 HA THR A 45 -2.007 -13.361 11.584 1.00 0.00 H new ATOM 0 HB THR A 45 0.974 -13.795 11.605 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.423 -15.884 10.673 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.400 -15.798 12.985 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.151 -14.288 13.747 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.317 -15.338 12.908 1.00 0.00 H new ATOM 676 N ILE A 46 -1.616 -11.449 13.218 1.00 0.00 N ATOM 677 CA ILE A 46 -1.471 -10.192 13.981 1.00 0.00 C ATOM 678 C ILE A 46 -2.185 -10.225 15.343 1.00 0.00 C ATOM 679 O ILE A 46 -3.177 -10.946 15.521 1.00 0.00 O ATOM 680 CB ILE A 46 -1.906 -9.015 13.065 1.00 0.00 C ATOM 681 CG1 ILE A 46 -1.545 -7.636 13.656 1.00 0.00 C ATOM 682 CG2 ILE A 46 -3.396 -9.086 12.700 1.00 0.00 C ATOM 683 CD1 ILE A 46 -1.855 -6.446 12.751 1.00 0.00 C ATOM 0 H ILE A 46 -2.517 -11.910 13.344 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.426 -10.050 14.255 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.334 -9.128 12.144 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.082 -7.508 14.596 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.481 -7.626 13.893 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.654 -8.243 12.059 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.597 -10.018 12.172 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.996 -9.047 13.609 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.567 -5.522 13.253 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.297 -6.542 11.820 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.923 -6.423 12.534 1.00 0.00 H new ATOM 695 N ILE A 47 -1.665 -9.447 16.300 1.00 0.00 N ATOM 696 CA ILE A 47 -2.265 -9.186 17.621 1.00 0.00 C ATOM 697 C ILE A 47 -2.544 -7.684 17.790 1.00 0.00 C ATOM 698 O ILE A 47 -1.643 -6.867 17.587 1.00 0.00 O ATOM 699 CB ILE A 47 -1.339 -9.673 18.763 1.00 0.00 C ATOM 700 CG1 ILE A 47 -0.918 -11.152 18.595 1.00 0.00 C ATOM 701 CG2 ILE A 47 -2.051 -9.464 20.111 1.00 0.00 C ATOM 702 CD1 ILE A 47 -0.232 -11.756 19.833 1.00 0.00 C ATOM 0 H ILE A 47 -0.778 -8.960 16.173 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.203 -9.739 17.677 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.422 -9.085 18.728 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.801 -11.745 18.357 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.242 -11.231 17.744 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.405 -9.805 20.920 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.273 -8.405 20.245 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.980 -10.034 20.124 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.031 -12.795 19.633 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.671 -11.190 20.061 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.912 -11.712 20.684 1.00 0.00 H new ATOM 714 N TYR A 48 -3.753 -7.329 18.236 1.00 0.00 N ATOM 715 CA TYR A 48 -4.230 -5.955 18.447 1.00 0.00 C ATOM 716 C TYR A 48 -5.009 -5.784 19.771 1.00 0.00 C ATOM 717 O TYR A 48 -5.707 -6.690 20.229 1.00 0.00 O ATOM 718 CB TYR A 48 -5.120 -5.533 17.255 1.00 0.00 C ATOM 719 CG TYR A 48 -6.360 -6.392 17.071 1.00 0.00 C ATOM 720 CD1 TYR A 48 -6.263 -7.649 16.442 1.00 0.00 C ATOM 721 CD2 TYR A 48 -7.599 -5.965 17.588 1.00 0.00 C ATOM 722 CE1 TYR A 48 -7.381 -8.499 16.388 1.00 0.00 C ATOM 723 CE2 TYR A 48 -8.724 -6.806 17.515 1.00 0.00 C ATOM 724 CZ TYR A 48 -8.616 -8.085 16.924 1.00 0.00 C ATOM 725 OH TYR A 48 -9.678 -8.936 16.897 1.00 0.00 O ATOM 0 H TYR A 48 -4.461 -8.024 18.472 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.351 -5.313 18.514 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.427 -4.496 17.394 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -4.527 -5.570 16.341 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.328 -7.960 16.000 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.685 -4.989 18.042 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -7.293 -9.475 15.933 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -9.672 -6.474 17.911 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.456 -8.502 17.306 1.00 0.00 H new ATOM 735 N ASP A 49 -4.934 -4.585 20.355 1.00 0.00 N ATOM 736 CA ASP A 49 -5.842 -4.122 21.411 1.00 0.00 C ATOM 737 C ASP A 49 -7.240 -3.806 20.828 1.00 0.00 C ATOM 738 O ASP A 49 -7.338 -2.931 19.958 1.00 0.00 O ATOM 739 CB ASP A 49 -5.250 -2.870 22.079 1.00 0.00 C ATOM 740 CG ASP A 49 -6.255 -2.138 22.977 1.00 0.00 C ATOM 741 OD1 ASP A 49 -6.994 -2.792 23.748 1.00 0.00 O ATOM 742 OD2 ASP A 49 -6.308 -0.890 22.913 1.00 0.00 O ATOM 0 H ASP A 49 -4.227 -3.894 20.103 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.954 -4.911 22.154 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.383 -3.158 22.673 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.895 -2.187 21.307 1.00 0.00 H new ATOM 747 N PRO A 50 -8.319 -4.457 21.311 1.00 0.00 N ATOM 748 CA PRO A 50 -9.670 -4.246 20.797 1.00 0.00 C ATOM 749 C PRO A 50 -10.251 -2.852 21.091 1.00 0.00 C ATOM 750 O PRO A 50 -11.163 -2.422 20.383 1.00 0.00 O ATOM 751 CB PRO A 50 -10.520 -5.365 21.409 1.00 0.00 C ATOM 752 CG PRO A 50 -9.780 -5.735 22.690 1.00 0.00 C ATOM 753 CD PRO A 50 -8.321 -5.540 22.288 1.00 0.00 C ATOM 0 HA PRO A 50 -9.661 -4.282 19.708 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.535 -5.026 21.618 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.602 -6.218 20.735 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -10.062 -5.092 23.523 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.984 -6.761 22.996 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.708 -5.287 23.153 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.908 -6.453 21.860 1.00 0.00 H new ATOM 761 N LYS A 51 -9.735 -2.108 22.084 1.00 0.00 N ATOM 762 CA LYS A 51 -10.217 -0.746 22.366 1.00 0.00 C ATOM 763 C LYS A 51 -9.895 0.201 21.194 1.00 0.00 C ATOM 764 O LYS A 51 -10.787 0.865 20.656 1.00 0.00 O ATOM 765 CB LYS A 51 -9.627 -0.207 23.687 1.00 0.00 C ATOM 766 CG LYS A 51 -9.843 -1.130 24.900 1.00 0.00 C ATOM 767 CD LYS A 51 -9.371 -0.506 26.226 1.00 0.00 C ATOM 768 CE LYS A 51 -7.929 0.037 26.231 1.00 0.00 C ATOM 769 NZ LYS A 51 -6.910 -1.006 25.965 1.00 0.00 N ATOM 0 H LYS A 51 -8.988 -2.425 22.702 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.300 -0.791 22.480 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.557 -0.045 23.554 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.072 0.765 23.901 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.902 -1.376 24.978 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.310 -2.066 24.736 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.048 0.309 26.485 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.460 -1.256 27.012 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.841 0.822 25.480 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.725 0.497 27.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.038 -0.559 25.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.706 -1.524 26.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.270 -1.668 25.249 1.00 0.00 H new ATOM 783 N LEU A 52 -8.635 0.228 20.744 1.00 0.00 N ATOM 784 CA LEU A 52 -8.158 1.114 19.670 1.00 0.00 C ATOM 785 C LEU A 52 -8.507 0.642 18.249 1.00 0.00 C ATOM 786 O LEU A 52 -8.499 1.469 17.334 1.00 0.00 O ATOM 787 CB LEU A 52 -6.633 1.300 19.829 1.00 0.00 C ATOM 788 CG LEU A 52 -6.238 2.568 20.614 1.00 0.00 C ATOM 789 CD1 LEU A 52 -6.889 2.658 22.002 1.00 0.00 C ATOM 790 CD2 LEU A 52 -4.711 2.608 20.750 1.00 0.00 C ATOM 0 H LEU A 52 -7.904 -0.375 21.121 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.683 2.063 19.780 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.221 0.427 20.336 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.176 1.339 18.840 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.606 3.426 20.051 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.566 3.574 22.496 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.974 2.666 21.895 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.590 1.798 22.601 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.418 3.500 21.303 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.370 1.721 21.284 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.258 2.631 19.759 1.00 0.00 H new ATOM 802 N GLN A 53 -8.795 -0.645 18.028 1.00 0.00 N ATOM 803 CA GLN A 53 -8.874 -1.215 16.677 1.00 0.00 C ATOM 804 C GLN A 53 -9.648 -2.538 16.603 1.00 0.00 C ATOM 805 O GLN A 53 -9.971 -3.148 17.623 1.00 0.00 O ATOM 806 CB GLN A 53 -7.473 -1.288 16.044 1.00 0.00 C ATOM 807 CG GLN A 53 -6.394 -1.863 16.969 1.00 0.00 C ATOM 808 CD GLN A 53 -5.049 -1.953 16.260 1.00 0.00 C ATOM 809 OE1 GLN A 53 -4.073 -1.325 16.643 1.00 0.00 O ATOM 810 NE2 GLN A 53 -4.938 -2.709 15.191 1.00 0.00 N ATOM 0 H GLN A 53 -8.979 -1.317 18.773 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.475 -0.533 16.075 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.525 -1.898 15.142 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.174 -0.287 15.734 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.299 -1.235 17.855 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.695 -2.853 17.311 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.742 -3.240 14.856 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.048 -2.764 14.696 1.00 0.00 H new ATOM 819 N THR A 54 -9.974 -2.950 15.374 1.00 0.00 N ATOM 820 CA THR A 54 -10.775 -4.137 15.040 1.00 0.00 C ATOM 821 C THR A 54 -10.133 -4.903 13.874 1.00 0.00 C ATOM 822 O THR A 54 -9.282 -4.334 13.179 1.00 0.00 O ATOM 823 CB THR A 54 -12.197 -3.706 14.639 1.00 0.00 C ATOM 824 OG1 THR A 54 -12.097 -2.851 13.525 1.00 0.00 O ATOM 825 CG2 THR A 54 -12.964 -3.000 15.757 1.00 0.00 C ATOM 0 H THR A 54 -9.673 -2.441 14.543 1.00 0.00 H new ATOM 0 HA THR A 54 -10.818 -4.786 15.914 1.00 0.00 H new ATOM 0 HB THR A 54 -12.762 -4.610 14.409 1.00 0.00 H new ATOM 0 HG1 THR A 54 -12.969 -2.440 13.349 1.00 0.00 H new ATOM 0 HG21 THR A 54 -13.957 -2.726 15.400 1.00 0.00 H new ATOM 0 HG22 THR A 54 -13.057 -3.669 16.613 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.425 -2.101 16.056 1.00 0.00 H new ATOM 833 N PRO A 55 -10.573 -6.144 13.582 1.00 0.00 N ATOM 834 CA PRO A 55 -10.309 -6.812 12.309 1.00 0.00 C ATOM 835 C PRO A 55 -10.667 -5.940 11.098 1.00 0.00 C ATOM 836 O PRO A 55 -9.968 -5.968 10.088 1.00 0.00 O ATOM 837 CB PRO A 55 -11.156 -8.088 12.333 1.00 0.00 C ATOM 838 CG PRO A 55 -11.315 -8.384 13.819 1.00 0.00 C ATOM 839 CD PRO A 55 -11.397 -6.990 14.432 1.00 0.00 C ATOM 0 HA PRO A 55 -9.245 -7.023 12.202 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.121 -7.938 11.849 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.661 -8.907 11.812 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.212 -8.969 14.022 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.470 -8.950 14.212 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.427 -6.634 14.461 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -11.031 -6.990 15.459 1.00 0.00 H new ATOM 847 N LYS A 56 -11.712 -5.109 11.207 1.00 0.00 N ATOM 848 CA LYS A 56 -12.073 -4.154 10.156 1.00 0.00 C ATOM 849 C LYS A 56 -10.952 -3.127 9.890 1.00 0.00 C ATOM 850 O LYS A 56 -10.581 -2.922 8.734 1.00 0.00 O ATOM 851 CB LYS A 56 -13.410 -3.476 10.504 1.00 0.00 C ATOM 852 CG LYS A 56 -14.068 -2.950 9.226 1.00 0.00 C ATOM 853 CD LYS A 56 -15.307 -2.095 9.507 1.00 0.00 C ATOM 854 CE LYS A 56 -15.886 -1.669 8.156 1.00 0.00 C ATOM 855 NZ LYS A 56 -16.998 -0.708 8.298 1.00 0.00 N ATOM 0 H LYS A 56 -12.326 -5.081 12.021 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.199 -4.704 9.223 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.071 -4.187 10.999 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.242 -2.656 11.203 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.343 -2.359 8.666 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -14.349 -3.792 8.594 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -16.043 -2.661 10.078 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -15.043 -1.222 10.104 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -15.098 -1.221 7.551 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -16.238 -2.551 7.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -17.356 -0.450 7.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -17.763 -1.142 8.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -16.659 0.146 8.785 1.00 0.00 H new ATOM 869 N THR A 57 -10.338 -2.550 10.938 1.00 0.00 N ATOM 870 CA THR A 57 -9.188 -1.618 10.832 1.00 0.00 C ATOM 871 C THR A 57 -8.005 -2.238 10.089 1.00 0.00 C ATOM 872 O THR A 57 -7.341 -1.544 9.316 1.00 0.00 O ATOM 873 CB THR A 57 -8.752 -1.150 12.228 1.00 0.00 C ATOM 874 OG1 THR A 57 -9.859 -0.596 12.890 1.00 0.00 O ATOM 875 CG2 THR A 57 -7.667 -0.074 12.197 1.00 0.00 C ATOM 0 H THR A 57 -10.628 -2.717 11.902 1.00 0.00 H new ATOM 0 HA THR A 57 -9.521 -0.759 10.249 1.00 0.00 H new ATOM 0 HB THR A 57 -8.351 -2.028 12.734 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.590 -0.296 13.783 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.407 0.210 13.217 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.783 -0.463 11.692 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.036 0.800 11.660 1.00 0.00 H new ATOM 883 N LEU A 58 -7.775 -3.542 10.277 1.00 0.00 N ATOM 884 CA LEU A 58 -6.748 -4.317 9.570 1.00 0.00 C ATOM 885 C LEU A 58 -7.062 -4.472 8.070 1.00 0.00 C ATOM 886 O LEU A 58 -6.152 -4.318 7.259 1.00 0.00 O ATOM 887 CB LEU A 58 -6.598 -5.689 10.257 1.00 0.00 C ATOM 888 CG LEU A 58 -5.706 -5.768 11.515 1.00 0.00 C ATOM 889 CD1 LEU A 58 -5.797 -4.608 12.515 1.00 0.00 C ATOM 890 CD2 LEU A 58 -6.060 -7.051 12.278 1.00 0.00 C ATOM 0 H LEU A 58 -8.310 -4.102 10.941 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.804 -3.775 9.625 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.594 -6.038 10.530 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.204 -6.391 9.522 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.689 -5.734 11.123 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.120 -4.792 13.349 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.518 -3.678 12.020 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.818 -4.528 12.888 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.440 -7.126 13.171 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.111 -7.024 12.567 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.881 -7.916 11.639 1.00 0.00 H new ATOM 902 N GLN A 59 -8.323 -4.723 7.684 1.00 0.00 N ATOM 903 CA GLN A 59 -8.736 -4.808 6.268 1.00 0.00 C ATOM 904 C GLN A 59 -8.388 -3.531 5.476 1.00 0.00 C ATOM 905 O GLN A 59 -8.035 -3.614 4.298 1.00 0.00 O ATOM 906 CB GLN A 59 -10.255 -5.052 6.140 1.00 0.00 C ATOM 907 CG GLN A 59 -10.761 -6.400 6.668 1.00 0.00 C ATOM 908 CD GLN A 59 -12.263 -6.572 6.419 1.00 0.00 C ATOM 909 OE1 GLN A 59 -13.118 -6.134 7.183 1.00 0.00 O ATOM 910 NE2 GLN A 59 -12.652 -7.181 5.324 1.00 0.00 N ATOM 0 H GLN A 59 -9.087 -4.873 8.342 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.183 -5.649 5.850 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -10.778 -4.256 6.670 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -10.530 -4.969 5.089 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.216 -7.210 6.183 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -10.557 -6.473 7.736 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.960 -7.553 4.674 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -13.647 -7.282 5.123 1.00 0.00 H new ATOM 919 N GLU A 60 -8.478 -2.354 6.107 1.00 0.00 N ATOM 920 CA GLU A 60 -8.305 -1.063 5.429 1.00 0.00 C ATOM 921 C GLU A 60 -6.872 -0.799 4.957 1.00 0.00 C ATOM 922 O GLU A 60 -6.689 -0.156 3.923 1.00 0.00 O ATOM 923 CB GLU A 60 -8.722 0.094 6.340 1.00 0.00 C ATOM 924 CG GLU A 60 -10.156 -0.048 6.840 1.00 0.00 C ATOM 925 CD GLU A 60 -10.749 1.313 7.160 1.00 0.00 C ATOM 926 OE1 GLU A 60 -11.259 1.971 6.226 1.00 0.00 O ATOM 927 OE2 GLU A 60 -10.761 1.717 8.347 1.00 0.00 O ATOM 0 H GLU A 60 -8.673 -2.270 7.105 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.946 -1.121 4.549 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.046 0.143 7.193 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.620 1.034 5.798 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.763 -0.546 6.084 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.176 -0.677 7.730 1.00 0.00 H new ATOM 934 N ALA A 61 -5.866 -1.298 5.682 1.00 0.00 N ATOM 935 CA ALA A 61 -4.458 -1.152 5.293 1.00 0.00 C ATOM 936 C ALA A 61 -4.132 -1.931 4.006 1.00 0.00 C ATOM 937 O ALA A 61 -3.237 -1.542 3.254 1.00 0.00 O ATOM 938 CB ALA A 61 -3.573 -1.598 6.466 1.00 0.00 C ATOM 0 H ALA A 61 -6.003 -1.813 6.552 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.258 -0.104 5.068 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.524 -1.494 6.190 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.782 -0.976 7.337 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.784 -2.640 6.705 1.00 0.00 H new ATOM 944 N ILE A 62 -4.858 -3.025 3.754 1.00 0.00 N ATOM 945 CA ILE A 62 -4.785 -3.811 2.515 1.00 0.00 C ATOM 946 C ILE A 62 -5.435 -3.062 1.345 1.00 0.00 C ATOM 947 O ILE A 62 -4.873 -3.014 0.250 1.00 0.00 O ATOM 948 CB ILE A 62 -5.425 -5.207 2.721 1.00 0.00 C ATOM 949 CG1 ILE A 62 -5.040 -5.908 4.047 1.00 0.00 C ATOM 950 CG2 ILE A 62 -5.077 -6.109 1.529 1.00 0.00 C ATOM 951 CD1 ILE A 62 -3.536 -5.963 4.351 1.00 0.00 C ATOM 0 H ILE A 62 -5.531 -3.399 4.423 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.735 -3.956 2.262 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.500 -5.038 2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.541 -5.395 4.868 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.426 -6.927 4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.527 -7.091 1.673 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.462 -5.664 0.611 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.994 -6.213 1.455 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.375 -6.474 5.301 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.024 -6.505 3.556 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.140 -4.949 4.412 1.00 0.00 H new ATOM 963 N ASP A 63 -6.595 -2.449 1.593 1.00 0.00 N ATOM 964 CA ASP A 63 -7.329 -1.647 0.611 1.00 0.00 C ATOM 965 C ASP A 63 -6.608 -0.335 0.260 1.00 0.00 C ATOM 966 O ASP A 63 -6.712 0.118 -0.877 1.00 0.00 O ATOM 967 CB ASP A 63 -8.749 -1.383 1.138 1.00 0.00 C ATOM 968 CG ASP A 63 -9.514 -0.367 0.284 1.00 0.00 C ATOM 969 OD1 ASP A 63 -10.185 -0.760 -0.699 1.00 0.00 O ATOM 970 OD2 ASP A 63 -9.448 0.844 0.604 1.00 0.00 O ATOM 0 H ASP A 63 -7.059 -2.497 2.500 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.384 -2.213 -0.319 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.303 -2.321 1.164 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.690 -1.019 2.164 1.00 0.00 H new ATOM 975 N ASP A 64 -5.860 0.268 1.193 1.00 0.00 N ATOM 976 CA ASP A 64 -5.016 1.450 0.945 1.00 0.00 C ATOM 977 C ASP A 64 -3.916 1.196 -0.107 1.00 0.00 C ATOM 978 O ASP A 64 -3.416 2.150 -0.703 1.00 0.00 O ATOM 979 CB ASP A 64 -4.393 1.938 2.271 1.00 0.00 C ATOM 980 CG ASP A 64 -5.232 2.988 3.018 1.00 0.00 C ATOM 981 OD1 ASP A 64 -5.853 3.870 2.378 1.00 0.00 O ATOM 982 OD2 ASP A 64 -5.202 3.010 4.274 1.00 0.00 O ATOM 0 H ASP A 64 -5.822 -0.056 2.160 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.663 2.225 0.534 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.242 1.079 2.925 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.409 2.358 2.063 1.00 0.00 H new ATOM 987 N MET A 65 -3.570 -0.072 -0.360 1.00 0.00 N ATOM 988 CA MET A 65 -2.734 -0.513 -1.483 1.00 0.00 C ATOM 989 C MET A 65 -3.629 -0.867 -2.694 1.00 0.00 C ATOM 990 O MET A 65 -4.321 -0.006 -3.238 1.00 0.00 O ATOM 991 CB MET A 65 -1.822 -1.670 -1.016 1.00 0.00 C ATOM 992 CG MET A 65 -0.770 -1.238 0.015 1.00 0.00 C ATOM 993 SD MET A 65 0.276 -2.595 0.601 1.00 0.00 S ATOM 994 CE MET A 65 -0.888 -3.402 1.724 1.00 0.00 C ATOM 0 H MET A 65 -3.875 -0.845 0.231 1.00 0.00 H new ATOM 0 HA MET A 65 -2.075 0.287 -1.819 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.439 -2.459 -0.586 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.317 -2.097 -1.882 1.00 0.00 H new ATOM 0 HG2 MET A 65 -0.137 -0.468 -0.426 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.275 -0.786 0.869 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.510 -3.342 2.745 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.855 -2.903 1.666 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.002 -4.448 1.440 1.00 0.00 H new ATOM 1004 N GLY A 66 -3.609 -2.123 -3.156 1.00 0.00 N ATOM 1005 CA GLY A 66 -4.495 -2.617 -4.214 1.00 0.00 C ATOM 1006 C GLY A 66 -4.665 -4.128 -4.194 1.00 0.00 C ATOM 1007 O GLY A 66 -4.394 -4.769 -5.207 1.00 0.00 O ATOM 0 H GLY A 66 -2.969 -2.833 -2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.473 -2.146 -4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.097 -2.315 -5.183 1.00 0.00 H new ATOM 1011 N PHE A 67 -5.103 -4.686 -3.064 1.00 0.00 N ATOM 1012 CA PHE A 67 -5.197 -6.135 -2.852 1.00 0.00 C ATOM 1013 C PHE A 67 -6.545 -6.542 -2.219 1.00 0.00 C ATOM 1014 O PHE A 67 -7.424 -5.704 -1.994 1.00 0.00 O ATOM 1015 CB PHE A 67 -3.980 -6.604 -2.026 1.00 0.00 C ATOM 1016 CG PHE A 67 -2.608 -6.191 -2.543 1.00 0.00 C ATOM 1017 CD1 PHE A 67 -2.205 -6.511 -3.854 1.00 0.00 C ATOM 1018 CD2 PHE A 67 -1.718 -5.495 -1.698 1.00 0.00 C ATOM 1019 CE1 PHE A 67 -0.933 -6.130 -4.321 1.00 0.00 C ATOM 1020 CE2 PHE A 67 -0.441 -5.128 -2.161 1.00 0.00 C ATOM 1021 CZ PHE A 67 -0.049 -5.443 -3.472 1.00 0.00 C ATOM 0 H PHE A 67 -5.407 -4.139 -2.259 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.172 -6.641 -3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.090 -6.224 -1.010 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.008 -7.692 -1.964 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.876 -7.052 -4.505 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.018 -5.243 -0.692 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.636 -6.366 -5.332 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.239 -4.603 -1.507 1.00 0.00 H new ATOM 0 HZ PHE A 67 0.930 -5.158 -3.827 1.00 0.00 H new ATOM 1031 N ASP A 68 -6.710 -7.840 -1.955 1.00 0.00 N ATOM 1032 CA ASP A 68 -7.935 -8.491 -1.472 1.00 0.00 C ATOM 1033 C ASP A 68 -7.637 -9.351 -0.231 1.00 0.00 C ATOM 1034 O ASP A 68 -6.581 -9.988 -0.157 1.00 0.00 O ATOM 1035 CB ASP A 68 -8.479 -9.356 -2.623 1.00 0.00 C ATOM 1036 CG ASP A 68 -9.795 -10.079 -2.328 1.00 0.00 C ATOM 1037 OD1 ASP A 68 -10.561 -9.645 -1.438 1.00 0.00 O ATOM 1038 OD2 ASP A 68 -10.071 -11.087 -3.024 1.00 0.00 O ATOM 0 H ASP A 68 -5.948 -8.507 -2.079 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.675 -7.747 -1.175 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.620 -8.722 -3.498 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.726 -10.099 -2.886 1.00 0.00 H new ATOM 1043 N ALA A 69 -8.565 -9.386 0.734 1.00 0.00 N ATOM 1044 CA ALA A 69 -8.394 -10.084 2.007 1.00 0.00 C ATOM 1045 C ALA A 69 -9.690 -10.703 2.573 1.00 0.00 C ATOM 1046 O ALA A 69 -10.801 -10.357 2.163 1.00 0.00 O ATOM 1047 CB ALA A 69 -7.743 -9.114 3.007 1.00 0.00 C ATOM 0 H ALA A 69 -9.469 -8.921 0.647 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.747 -10.943 1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.607 -9.616 3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.774 -8.793 2.624 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.386 -8.244 3.142 1.00 0.00 H new ATOM 1053 N VAL A 70 -9.539 -11.625 3.529 1.00 0.00 N ATOM 1054 CA VAL A 70 -10.641 -12.335 4.213 1.00 0.00 C ATOM 1055 C VAL A 70 -10.252 -12.615 5.668 1.00 0.00 C ATOM 1056 O VAL A 70 -9.155 -13.110 5.921 1.00 0.00 O ATOM 1057 CB VAL A 70 -11.000 -13.688 3.539 1.00 0.00 C ATOM 1058 CG1 VAL A 70 -12.416 -14.127 3.952 1.00 0.00 C ATOM 1059 CG2 VAL A 70 -10.935 -13.681 2.003 1.00 0.00 C ATOM 0 H VAL A 70 -8.619 -11.912 3.864 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.513 -11.684 4.152 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.237 -14.384 3.889 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -12.657 -15.076 3.474 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -12.459 -14.245 5.035 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -13.137 -13.371 3.641 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.201 -14.667 1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.634 -12.941 1.613 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.924 -13.430 1.683 1.00 0.00 H new ATOM 1069 N ILE A 71 -11.125 -12.318 6.636 1.00 0.00 N ATOM 1070 CA ILE A 71 -10.844 -12.541 8.067 1.00 0.00 C ATOM 1071 C ILE A 71 -11.100 -14.016 8.405 1.00 0.00 C ATOM 1072 O ILE A 71 -12.221 -14.502 8.247 1.00 0.00 O ATOM 1073 CB ILE A 71 -11.668 -11.567 8.943 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -11.312 -10.093 8.626 1.00 0.00 C ATOM 1075 CG2 ILE A 71 -11.396 -11.841 10.436 1.00 0.00 C ATOM 1076 CD1 ILE A 71 -12.382 -9.094 9.075 1.00 0.00 C ATOM 0 H ILE A 71 -12.045 -11.917 6.455 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.797 -12.329 8.283 1.00 0.00 H new ATOM 0 HB ILE A 71 -12.723 -11.729 8.721 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.368 -9.844 9.110 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -11.157 -9.988 7.552 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -11.980 -11.151 11.045 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.680 -12.866 10.675 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.335 -11.700 10.644 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.065 -8.083 8.821 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.322 -9.317 8.571 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.521 -9.170 10.153 1.00 0.00 H new ATOM 1088 N HIS A 72 -10.076 -14.739 8.856 1.00 0.00 N ATOM 1089 CA HIS A 72 -10.070 -16.204 8.945 1.00 0.00 C ATOM 1090 C HIS A 72 -9.726 -16.708 10.366 1.00 0.00 C ATOM 1091 O HIS A 72 -9.653 -15.936 11.330 1.00 0.00 O ATOM 1092 CB HIS A 72 -9.108 -16.740 7.855 1.00 0.00 C ATOM 1093 CG HIS A 72 -9.833 -17.282 6.649 1.00 0.00 C ATOM 1094 ND1 HIS A 72 -9.826 -18.582 6.204 1.00 0.00 N ATOM 1095 CD2 HIS A 72 -10.661 -16.582 5.814 1.00 0.00 C ATOM 1096 CE1 HIS A 72 -10.633 -18.664 5.136 1.00 0.00 C ATOM 1097 NE2 HIS A 72 -11.173 -17.463 4.852 1.00 0.00 N ATOM 0 H HIS A 72 -9.206 -14.315 9.178 1.00 0.00 H new ATOM 0 HA HIS A 72 -11.071 -16.593 8.760 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.440 -15.938 7.541 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.485 -17.526 8.282 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -10.883 -15.527 5.885 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -10.824 -19.570 4.579 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -11.820 -17.241 4.095 1.00 0.00 H new ATOM 1105 N ASN A 73 -9.544 -18.024 10.511 1.00 0.00 N ATOM 1106 CA ASN A 73 -9.197 -18.699 11.765 1.00 0.00 C ATOM 1107 C ASN A 73 -7.980 -19.619 11.608 1.00 0.00 C ATOM 1108 O ASN A 73 -7.907 -20.381 10.614 1.00 0.00 O ATOM 1109 CB ASN A 73 -10.456 -19.439 12.260 1.00 0.00 C ATOM 1110 CG ASN A 73 -10.220 -20.269 13.508 1.00 0.00 C ATOM 1111 OD1 ASN A 73 -9.984 -19.759 14.596 1.00 0.00 O ATOM 1112 ND2 ASN A 73 -10.260 -21.570 13.382 1.00 0.00 N ATOM 1113 OXT ASN A 73 -7.106 -19.576 12.501 1.00 0.00 O ATOM 0 H ASN A 73 -9.638 -18.672 9.729 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.891 -17.970 12.515 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.241 -18.710 12.462 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -10.822 -20.089 11.465 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.094 -22.166 14.193 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.457 -21.989 12.473 1.00 0.00 H new TER 1120 ASN A 73 ATOM 1121 N MET B 74 3.090 18.641 -23.392 1.00 0.00 N ATOM 1122 CA MET B 74 2.286 17.716 -22.566 1.00 0.00 C ATOM 1123 C MET B 74 2.782 17.729 -21.119 1.00 0.00 C ATOM 1124 O MET B 74 3.993 17.596 -20.917 1.00 0.00 O ATOM 1125 CB MET B 74 2.243 16.279 -23.124 1.00 0.00 C ATOM 1126 CG MET B 74 3.590 15.538 -23.180 1.00 0.00 C ATOM 1127 SD MET B 74 3.462 13.780 -23.601 1.00 0.00 S ATOM 1128 CE MET B 74 5.205 13.306 -23.449 1.00 0.00 C ATOM 0 HA MET B 74 1.259 18.080 -22.597 1.00 0.00 H new ATOM 0 HB2 MET B 74 1.554 15.694 -22.515 1.00 0.00 H new ATOM 0 HB3 MET B 74 1.827 16.314 -24.131 1.00 0.00 H new ATOM 0 HG2 MET B 74 4.230 16.029 -23.913 1.00 0.00 H new ATOM 0 HG3 MET B 74 4.083 15.632 -22.212 1.00 0.00 H new ATOM 0 HE1 MET B 74 5.315 12.245 -23.675 1.00 0.00 H new ATOM 0 HE2 MET B 74 5.803 13.890 -24.149 1.00 0.00 H new ATOM 0 HE3 MET B 74 5.547 13.497 -22.432 1.00 0.00 H new ATOM 1140 N PRO B 75 1.892 17.861 -20.116 1.00 0.00 N ATOM 1141 CA PRO B 75 2.261 17.807 -18.707 1.00 0.00 C ATOM 1142 C PRO B 75 2.534 16.354 -18.295 1.00 0.00 C ATOM 1143 O PRO B 75 1.628 15.635 -17.885 1.00 0.00 O ATOM 1144 CB PRO B 75 1.083 18.449 -17.961 1.00 0.00 C ATOM 1145 CG PRO B 75 -0.120 18.114 -18.844 1.00 0.00 C ATOM 1146 CD PRO B 75 0.470 18.149 -20.255 1.00 0.00 C ATOM 0 HA PRO B 75 3.181 18.344 -18.475 1.00 0.00 H new ATOM 0 HB2 PRO B 75 0.971 18.039 -16.957 1.00 0.00 H new ATOM 0 HB3 PRO B 75 1.215 19.526 -17.853 1.00 0.00 H new ATOM 0 HG2 PRO B 75 -0.537 17.136 -18.605 1.00 0.00 H new ATOM 0 HG3 PRO B 75 -0.924 18.841 -18.724 1.00 0.00 H new ATOM 0 HD2 PRO B 75 -0.014 17.412 -20.896 1.00 0.00 H new ATOM 0 HD3 PRO B 75 0.315 19.124 -20.716 1.00 0.00 H new ATOM 1154 N LYS B 76 3.792 15.922 -18.418 1.00 0.00 N ATOM 1155 CA LYS B 76 4.281 14.593 -18.014 1.00 0.00 C ATOM 1156 C LYS B 76 5.263 14.728 -16.826 1.00 0.00 C ATOM 1157 O LYS B 76 6.196 15.535 -16.877 1.00 0.00 O ATOM 1158 CB LYS B 76 4.892 13.899 -19.260 1.00 0.00 C ATOM 1159 CG LYS B 76 4.448 12.439 -19.463 1.00 0.00 C ATOM 1160 CD LYS B 76 5.179 11.413 -18.588 1.00 0.00 C ATOM 1161 CE LYS B 76 4.467 10.048 -18.597 1.00 0.00 C ATOM 1162 NZ LYS B 76 4.601 9.293 -19.866 1.00 0.00 N ATOM 0 H LYS B 76 4.528 16.506 -18.816 1.00 0.00 H new ATOM 0 HA LYS B 76 3.470 13.961 -17.653 1.00 0.00 H new ATOM 0 HB2 LYS B 76 4.624 14.473 -20.147 1.00 0.00 H new ATOM 0 HB3 LYS B 76 5.979 13.926 -19.179 1.00 0.00 H new ATOM 0 HG2 LYS B 76 3.379 12.369 -19.263 1.00 0.00 H new ATOM 0 HG3 LYS B 76 4.595 12.172 -20.510 1.00 0.00 H new ATOM 0 HD2 LYS B 76 6.202 11.293 -18.945 1.00 0.00 H new ATOM 0 HD3 LYS B 76 5.241 11.785 -17.565 1.00 0.00 H new ATOM 0 HE2 LYS B 76 4.864 9.440 -17.784 1.00 0.00 H new ATOM 0 HE3 LYS B 76 3.408 10.203 -18.392 1.00 0.00 H new ATOM 0 HZ1 LYS B 76 4.152 8.361 -19.764 1.00 0.00 H new ATOM 0 HZ2 LYS B 76 4.137 9.819 -20.634 1.00 0.00 H new ATOM 0 HZ3 LYS B 76 5.609 9.169 -20.091 1.00 0.00 H new ATOM 1176 N HIS B 77 5.053 13.984 -15.737 1.00 0.00 N ATOM 1177 CA HIS B 77 5.664 14.234 -14.418 1.00 0.00 C ATOM 1178 C HIS B 77 5.883 12.933 -13.617 1.00 0.00 C ATOM 1179 O HIS B 77 5.157 11.951 -13.803 1.00 0.00 O ATOM 1180 CB HIS B 77 4.805 15.249 -13.629 1.00 0.00 C ATOM 1181 CG HIS B 77 3.331 15.220 -13.959 1.00 0.00 C ATOM 1182 ND1 HIS B 77 2.647 16.141 -14.714 1.00 0.00 N ATOM 1183 CD2 HIS B 77 2.444 14.231 -13.642 1.00 0.00 C ATOM 1184 CE1 HIS B 77 1.384 15.710 -14.854 1.00 0.00 C ATOM 1185 NE2 HIS B 77 1.198 14.553 -14.196 1.00 0.00 N ATOM 0 H HIS B 77 4.439 13.170 -15.743 1.00 0.00 H new ATOM 0 HA HIS B 77 6.654 14.660 -14.580 1.00 0.00 H new ATOM 0 HB2 HIS B 77 4.929 15.058 -12.563 1.00 0.00 H new ATOM 0 HB3 HIS B 77 5.186 16.252 -13.819 1.00 0.00 H new ATOM 0 HD1 HIS B 77 3.032 17.003 -15.101 1.00 0.00 H new ATOM 0 HD2 HIS B 77 2.666 13.348 -13.061 1.00 0.00 H new ATOM 0 HE1 HIS B 77 0.620 16.223 -15.419 1.00 0.00 H new ATOM 1193 N GLU B 78 6.906 12.907 -12.752 1.00 0.00 N ATOM 1194 CA GLU B 78 7.506 11.656 -12.270 1.00 0.00 C ATOM 1195 C GLU B 78 7.636 11.592 -10.737 1.00 0.00 C ATOM 1196 O GLU B 78 7.985 12.575 -10.086 1.00 0.00 O ATOM 1197 CB GLU B 78 8.880 11.449 -12.933 1.00 0.00 C ATOM 1198 CG GLU B 78 8.807 11.446 -14.471 1.00 0.00 C ATOM 1199 CD GLU B 78 10.132 11.073 -15.133 1.00 0.00 C ATOM 1200 OE1 GLU B 78 11.218 11.455 -14.639 1.00 0.00 O ATOM 1201 OE2 GLU B 78 10.122 10.407 -16.188 1.00 0.00 O ATOM 0 H GLU B 78 7.339 13.747 -12.369 1.00 0.00 H new ATOM 0 HA GLU B 78 6.828 10.850 -12.552 1.00 0.00 H new ATOM 0 HB2 GLU B 78 9.558 12.238 -12.608 1.00 0.00 H new ATOM 0 HB3 GLU B 78 9.304 10.504 -12.592 1.00 0.00 H new ATOM 0 HG2 GLU B 78 8.037 10.743 -14.791 1.00 0.00 H new ATOM 0 HG3 GLU B 78 8.501 12.433 -14.816 1.00 0.00 H new ATOM 1208 N PHE B 79 7.386 10.413 -10.157 1.00 0.00 N ATOM 1209 CA PHE B 79 7.420 10.154 -8.709 1.00 0.00 C ATOM 1210 C PHE B 79 8.115 8.812 -8.433 1.00 0.00 C ATOM 1211 O PHE B 79 7.874 7.833 -9.142 1.00 0.00 O ATOM 1212 CB PHE B 79 5.992 10.146 -8.122 1.00 0.00 C ATOM 1213 CG PHE B 79 5.116 11.343 -8.455 1.00 0.00 C ATOM 1214 CD1 PHE B 79 4.508 11.443 -9.724 1.00 0.00 C ATOM 1215 CD2 PHE B 79 4.884 12.348 -7.495 1.00 0.00 C ATOM 1216 CE1 PHE B 79 3.724 12.560 -10.052 1.00 0.00 C ATOM 1217 CE2 PHE B 79 4.079 13.456 -7.817 1.00 0.00 C ATOM 1218 CZ PHE B 79 3.514 13.569 -9.099 1.00 0.00 C ATOM 0 H PHE B 79 7.146 9.583 -10.699 1.00 0.00 H new ATOM 0 HA PHE B 79 7.983 10.953 -8.227 1.00 0.00 H new ATOM 0 HB2 PHE B 79 5.485 9.245 -8.469 1.00 0.00 H new ATOM 0 HB3 PHE B 79 6.069 10.071 -7.037 1.00 0.00 H new ATOM 0 HD1 PHE B 79 4.647 10.654 -10.449 1.00 0.00 H new ATOM 0 HD2 PHE B 79 5.324 12.268 -6.512 1.00 0.00 H new ATOM 0 HE1 PHE B 79 3.284 12.643 -11.035 1.00 0.00 H new ATOM 0 HE2 PHE B 79 3.895 14.221 -7.078 1.00 0.00 H new ATOM 0 HZ PHE B 79 2.917 14.433 -9.351 1.00 0.00 H new ATOM 1228 N SER B 80 8.974 8.747 -7.416 1.00 0.00 N ATOM 1229 CA SER B 80 9.781 7.567 -7.067 1.00 0.00 C ATOM 1230 C SER B 80 9.253 6.844 -5.817 1.00 0.00 C ATOM 1231 O SER B 80 8.972 7.493 -4.806 1.00 0.00 O ATOM 1232 CB SER B 80 11.229 7.998 -6.823 1.00 0.00 C ATOM 1233 OG SER B 80 12.075 6.872 -6.676 1.00 0.00 O ATOM 0 H SER B 80 9.136 9.536 -6.790 1.00 0.00 H new ATOM 0 HA SER B 80 9.719 6.870 -7.903 1.00 0.00 H new ATOM 0 HB2 SER B 80 11.575 8.611 -7.655 1.00 0.00 H new ATOM 0 HB3 SER B 80 11.282 8.617 -5.927 1.00 0.00 H new ATOM 0 HG SER B 80 12.995 7.172 -6.523 1.00 0.00 H new ATOM 1239 N VAL B 81 9.166 5.506 -5.862 1.00 0.00 N ATOM 1240 CA VAL B 81 8.625 4.651 -4.781 1.00 0.00 C ATOM 1241 C VAL B 81 9.478 3.384 -4.662 1.00 0.00 C ATOM 1242 O VAL B 81 9.958 2.886 -5.677 1.00 0.00 O ATOM 1243 CB VAL B 81 7.152 4.228 -5.040 1.00 0.00 C ATOM 1244 CG1 VAL B 81 6.497 3.649 -3.771 1.00 0.00 C ATOM 1245 CG2 VAL B 81 6.277 5.381 -5.564 1.00 0.00 C ATOM 0 H VAL B 81 9.477 4.969 -6.671 1.00 0.00 H new ATOM 0 HA VAL B 81 8.654 5.236 -3.862 1.00 0.00 H new ATOM 0 HB VAL B 81 7.206 3.461 -5.812 1.00 0.00 H new ATOM 0 HG11 VAL B 81 5.468 3.364 -3.990 1.00 0.00 H new ATOM 0 HG12 VAL B 81 7.054 2.772 -3.442 1.00 0.00 H new ATOM 0 HG13 VAL B 81 6.505 4.401 -2.982 1.00 0.00 H new ATOM 0 HG21 VAL B 81 5.260 5.022 -5.725 1.00 0.00 H new ATOM 0 HG22 VAL B 81 6.265 6.190 -4.833 1.00 0.00 H new ATOM 0 HG23 VAL B 81 6.685 5.749 -6.505 1.00 0.00 H new ATOM 1255 N ASP B 82 9.654 2.848 -3.451 1.00 0.00 N ATOM 1256 CA ASP B 82 10.424 1.622 -3.165 1.00 0.00 C ATOM 1257 C ASP B 82 9.671 0.328 -3.566 1.00 0.00 C ATOM 1258 O ASP B 82 9.406 -0.547 -2.742 1.00 0.00 O ATOM 1259 CB ASP B 82 10.854 1.645 -1.682 1.00 0.00 C ATOM 1260 CG ASP B 82 11.921 0.598 -1.329 1.00 0.00 C ATOM 1261 OD1 ASP B 82 12.885 0.431 -2.119 1.00 0.00 O ATOM 1262 OD2 ASP B 82 11.835 0.012 -0.223 1.00 0.00 O ATOM 0 H ASP B 82 9.253 3.265 -2.611 1.00 0.00 H new ATOM 0 HA ASP B 82 11.318 1.609 -3.788 1.00 0.00 H new ATOM 0 HB2 ASP B 82 11.237 2.636 -1.440 1.00 0.00 H new ATOM 0 HB3 ASP B 82 9.977 1.481 -1.056 1.00 0.00 H new ATOM 1267 N MET B 83 9.277 0.227 -4.842 1.00 0.00 N ATOM 1268 CA MET B 83 8.620 -0.949 -5.435 1.00 0.00 C ATOM 1269 C MET B 83 9.637 -2.002 -5.916 1.00 0.00 C ATOM 1270 O MET B 83 10.003 -2.065 -7.094 1.00 0.00 O ATOM 1271 CB MET B 83 7.587 -0.524 -6.501 1.00 0.00 C ATOM 1272 CG MET B 83 8.062 0.412 -7.621 1.00 0.00 C ATOM 1273 SD MET B 83 6.690 0.955 -8.672 1.00 0.00 S ATOM 1274 CE MET B 83 7.513 2.292 -9.568 1.00 0.00 C ATOM 0 H MET B 83 9.410 0.984 -5.512 1.00 0.00 H new ATOM 0 HA MET B 83 8.052 -1.457 -4.656 1.00 0.00 H new ATOM 0 HB2 MET B 83 7.192 -1.428 -6.964 1.00 0.00 H new ATOM 0 HB3 MET B 83 6.756 -0.039 -5.988 1.00 0.00 H new ATOM 0 HG2 MET B 83 8.551 1.282 -7.184 1.00 0.00 H new ATOM 0 HG3 MET B 83 8.807 -0.100 -8.231 1.00 0.00 H new ATOM 0 HE1 MET B 83 6.780 2.838 -10.162 1.00 0.00 H new ATOM 0 HE2 MET B 83 7.982 2.972 -8.857 1.00 0.00 H new ATOM 0 HE3 MET B 83 8.274 1.874 -10.227 1.00 0.00 H new ATOM 1284 N THR B 84 10.089 -2.849 -4.981 1.00 0.00 N ATOM 1285 CA THR B 84 11.065 -3.932 -5.218 1.00 0.00 C ATOM 1286 C THR B 84 10.479 -5.068 -6.074 1.00 0.00 C ATOM 1287 O THR B 84 11.249 -5.785 -6.719 1.00 0.00 O ATOM 1288 CB THR B 84 11.612 -4.437 -3.873 1.00 0.00 C ATOM 1289 OG1 THR B 84 12.040 -3.340 -3.100 1.00 0.00 O ATOM 1290 CG2 THR B 84 12.818 -5.368 -3.979 1.00 0.00 C ATOM 0 H THR B 84 9.780 -2.802 -4.010 1.00 0.00 H new ATOM 0 HA THR B 84 11.895 -3.528 -5.798 1.00 0.00 H new ATOM 0 HB THR B 84 10.786 -4.994 -3.430 1.00 0.00 H new ATOM 0 HG1 THR B 84 12.387 -3.660 -2.241 1.00 0.00 H new ATOM 0 HG21 THR B 84 13.132 -5.671 -2.980 1.00 0.00 H new ATOM 0 HG22 THR B 84 12.546 -6.251 -4.558 1.00 0.00 H new ATOM 0 HG23 THR B 84 13.637 -4.847 -4.475 1.00 0.00 H new ATOM 1298 N CYS B 85 9.151 -5.164 -6.191 1.00 0.00 N ATOM 1299 CA CYS B 85 8.422 -6.074 -7.076 1.00 0.00 C ATOM 1300 C CYS B 85 7.281 -5.393 -7.886 1.00 0.00 C ATOM 1301 O CYS B 85 6.900 -4.235 -7.661 1.00 0.00 O ATOM 1302 CB CYS B 85 7.895 -7.237 -6.213 1.00 0.00 C ATOM 1303 SG CYS B 85 6.510 -6.697 -5.166 1.00 0.00 S ATOM 0 H CYS B 85 8.524 -4.577 -5.641 1.00 0.00 H new ATOM 0 HA CYS B 85 9.108 -6.436 -7.842 1.00 0.00 H new ATOM 0 HB2 CYS B 85 7.571 -8.055 -6.857 1.00 0.00 H new ATOM 0 HB3 CYS B 85 8.699 -7.624 -5.587 1.00 0.00 H new ATOM 1308 N GLY B 86 6.685 -6.179 -8.794 1.00 0.00 N ATOM 1309 CA GLY B 86 5.489 -5.823 -9.565 1.00 0.00 C ATOM 1310 C GLY B 86 4.201 -5.777 -8.731 1.00 0.00 C ATOM 1311 O GLY B 86 3.193 -5.254 -9.212 1.00 0.00 O ATOM 0 H GLY B 86 7.035 -7.110 -9.018 1.00 0.00 H new ATOM 0 HA2 GLY B 86 5.645 -4.849 -10.029 1.00 0.00 H new ATOM 0 HA3 GLY B 86 5.362 -6.544 -10.373 1.00 0.00 H new ATOM 1315 N GLY B 87 4.224 -6.255 -7.480 1.00 0.00 N ATOM 1316 CA GLY B 87 3.095 -6.180 -6.544 1.00 0.00 C ATOM 1317 C GLY B 87 2.860 -4.746 -6.084 1.00 0.00 C ATOM 1318 O GLY B 87 1.768 -4.209 -6.269 1.00 0.00 O ATOM 0 H GLY B 87 5.044 -6.714 -7.083 1.00 0.00 H new ATOM 0 HA2 GLY B 87 2.195 -6.564 -7.024 1.00 0.00 H new ATOM 0 HA3 GLY B 87 3.292 -6.815 -5.680 1.00 0.00 H new ATOM 1322 N CYS B 88 3.905 -4.077 -5.589 1.00 0.00 N ATOM 1323 CA CYS B 88 3.859 -2.637 -5.306 1.00 0.00 C ATOM 1324 C CYS B 88 3.531 -1.799 -6.562 1.00 0.00 C ATOM 1325 O CYS B 88 2.779 -0.826 -6.467 1.00 0.00 O ATOM 1326 CB CYS B 88 5.179 -2.218 -4.643 1.00 0.00 C ATOM 1327 SG CYS B 88 5.109 -2.548 -2.860 1.00 0.00 S ATOM 0 H CYS B 88 4.802 -4.513 -5.374 1.00 0.00 H new ATOM 0 HA CYS B 88 3.041 -2.437 -4.614 1.00 0.00 H new ATOM 0 HB2 CYS B 88 6.010 -2.764 -5.090 1.00 0.00 H new ATOM 0 HB3 CYS B 88 5.363 -1.158 -4.818 1.00 0.00 H new ATOM 0 HG CYS B 88 4.743 -3.779 -2.661 1.00 0.00 H new ATOM 1333 N ALA B 89 4.009 -2.209 -7.746 1.00 0.00 N ATOM 1334 CA ALA B 89 3.645 -1.575 -9.022 1.00 0.00 C ATOM 1335 C ALA B 89 2.131 -1.674 -9.327 1.00 0.00 C ATOM 1336 O ALA B 89 1.526 -0.703 -9.790 1.00 0.00 O ATOM 1337 CB ALA B 89 4.504 -2.166 -10.144 1.00 0.00 C ATOM 0 H ALA B 89 4.659 -2.989 -7.846 1.00 0.00 H new ATOM 0 HA ALA B 89 3.851 -0.507 -8.947 1.00 0.00 H new ATOM 0 HB1 ALA B 89 4.237 -1.698 -11.092 1.00 0.00 H new ATOM 0 HB2 ALA B 89 5.557 -1.981 -9.932 1.00 0.00 H new ATOM 0 HB3 ALA B 89 4.330 -3.240 -10.208 1.00 0.00 H new ATOM 1343 N GLU B 90 1.488 -2.804 -9.009 1.00 0.00 N ATOM 1344 CA GLU B 90 0.027 -2.936 -9.082 1.00 0.00 C ATOM 1345 C GLU B 90 -0.675 -2.115 -7.986 1.00 0.00 C ATOM 1346 O GLU B 90 -1.689 -1.482 -8.261 1.00 0.00 O ATOM 1347 CB GLU B 90 -0.389 -4.419 -9.042 1.00 0.00 C ATOM 1348 CG GLU B 90 -1.844 -4.664 -9.477 1.00 0.00 C ATOM 1349 CD GLU B 90 -2.053 -4.488 -10.984 1.00 0.00 C ATOM 1350 OE1 GLU B 90 -2.132 -3.337 -11.472 1.00 0.00 O ATOM 1351 OE2 GLU B 90 -2.112 -5.505 -11.712 1.00 0.00 O ATOM 0 H GLU B 90 1.963 -3.650 -8.695 1.00 0.00 H new ATOM 0 HA GLU B 90 -0.299 -2.525 -10.037 1.00 0.00 H new ATOM 0 HB2 GLU B 90 0.276 -4.991 -9.689 1.00 0.00 H new ATOM 0 HB3 GLU B 90 -0.253 -4.798 -8.029 1.00 0.00 H new ATOM 0 HG2 GLU B 90 -2.139 -5.673 -9.190 1.00 0.00 H new ATOM 0 HG3 GLU B 90 -2.499 -3.976 -8.942 1.00 0.00 H new ATOM 1358 N ALA B 91 -0.121 -2.026 -6.771 1.00 0.00 N ATOM 1359 CA ALA B 91 -0.672 -1.171 -5.713 1.00 0.00 C ATOM 1360 C ALA B 91 -0.704 0.315 -6.123 1.00 0.00 C ATOM 1361 O ALA B 91 -1.772 0.931 -6.057 1.00 0.00 O ATOM 1362 CB ALA B 91 0.105 -1.404 -4.411 1.00 0.00 C ATOM 0 H ALA B 91 0.715 -2.540 -6.495 1.00 0.00 H new ATOM 0 HA ALA B 91 -1.713 -1.448 -5.546 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -0.304 -0.769 -3.625 1.00 0.00 H new ATOM 0 HB2 ALA B 91 0.016 -2.450 -4.116 1.00 0.00 H new ATOM 0 HB3 ALA B 91 1.156 -1.159 -4.566 1.00 0.00 H new ATOM 1368 N VAL B 92 0.414 0.871 -6.616 1.00 0.00 N ATOM 1369 CA VAL B 92 0.423 2.263 -7.129 1.00 0.00 C ATOM 1370 C VAL B 92 -0.477 2.435 -8.358 1.00 0.00 C ATOM 1371 O VAL B 92 -1.021 3.512 -8.573 1.00 0.00 O ATOM 1372 CB VAL B 92 1.820 2.847 -7.447 1.00 0.00 C ATOM 1373 CG1 VAL B 92 2.701 2.884 -6.195 1.00 0.00 C ATOM 1374 CG2 VAL B 92 2.567 2.119 -8.569 1.00 0.00 C ATOM 0 H VAL B 92 1.313 0.393 -6.673 1.00 0.00 H new ATOM 0 HA VAL B 92 0.029 2.833 -6.288 1.00 0.00 H new ATOM 0 HB VAL B 92 1.625 3.859 -7.802 1.00 0.00 H new ATOM 0 HG11 VAL B 92 3.676 3.299 -6.449 1.00 0.00 H new ATOM 0 HG12 VAL B 92 2.228 3.507 -5.436 1.00 0.00 H new ATOM 0 HG13 VAL B 92 2.826 1.873 -5.808 1.00 0.00 H new ATOM 0 HG21 VAL B 92 3.536 2.592 -8.727 1.00 0.00 H new ATOM 0 HG22 VAL B 92 2.714 1.075 -8.291 1.00 0.00 H new ATOM 0 HG23 VAL B 92 1.983 2.171 -9.488 1.00 0.00 H new ATOM 1384 N SER B 93 -0.689 1.374 -9.142 1.00 0.00 N ATOM 1385 CA SER B 93 -1.636 1.409 -10.260 1.00 0.00 C ATOM 1386 C SER B 93 -3.089 1.522 -9.756 1.00 0.00 C ATOM 1387 O SER B 93 -3.849 2.389 -10.199 1.00 0.00 O ATOM 1388 CB SER B 93 -1.444 0.165 -11.152 1.00 0.00 C ATOM 1389 OG SER B 93 -0.148 0.096 -11.735 1.00 0.00 O ATOM 0 H SER B 93 -0.216 0.478 -9.022 1.00 0.00 H new ATOM 0 HA SER B 93 -1.435 2.297 -10.860 1.00 0.00 H new ATOM 0 HB2 SER B 93 -1.618 -0.732 -10.558 1.00 0.00 H new ATOM 0 HB3 SER B 93 -2.193 0.173 -11.944 1.00 0.00 H new ATOM 0 HG SER B 93 0.500 -0.191 -11.058 1.00 0.00 H new ATOM 1395 N ARG B 94 -3.474 0.679 -8.791 1.00 0.00 N ATOM 1396 CA ARG B 94 -4.822 0.619 -8.213 1.00 0.00 C ATOM 1397 C ARG B 94 -5.174 1.793 -7.290 1.00 0.00 C ATOM 1398 O ARG B 94 -6.331 2.222 -7.295 1.00 0.00 O ATOM 1399 CB ARG B 94 -4.997 -0.721 -7.489 1.00 0.00 C ATOM 1400 CG ARG B 94 -5.093 -1.869 -8.503 1.00 0.00 C ATOM 1401 CD ARG B 94 -5.269 -3.225 -7.826 1.00 0.00 C ATOM 1402 NE ARG B 94 -5.541 -4.252 -8.837 1.00 0.00 N ATOM 1403 CZ ARG B 94 -5.265 -5.543 -8.779 1.00 0.00 C ATOM 1404 NH1 ARG B 94 -4.788 -6.111 -7.695 1.00 0.00 N ATOM 1405 NH2 ARG B 94 -5.467 -6.271 -9.850 1.00 0.00 N ATOM 0 H ARG B 94 -2.836 -0.002 -8.378 1.00 0.00 H new ATOM 0 HA ARG B 94 -5.524 0.702 -9.043 1.00 0.00 H new ATOM 0 HB2 ARG B 94 -4.156 -0.891 -6.817 1.00 0.00 H new ATOM 0 HB3 ARG B 94 -5.897 -0.694 -6.874 1.00 0.00 H new ATOM 0 HG2 ARG B 94 -5.933 -1.689 -9.174 1.00 0.00 H new ATOM 0 HG3 ARG B 94 -4.192 -1.886 -9.116 1.00 0.00 H new ATOM 0 HD2 ARG B 94 -4.370 -3.482 -7.266 1.00 0.00 H new ATOM 0 HD3 ARG B 94 -6.089 -3.181 -7.109 1.00 0.00 H new ATOM 0 HE ARG B 94 -5.999 -3.930 -9.689 1.00 0.00 H new ATOM 0 HH11 ARG B 94 -4.618 -5.552 -6.859 1.00 0.00 H new ATOM 0 HH12 ARG B 94 -4.587 -7.111 -7.689 1.00 0.00 H new ATOM 0 HH21 ARG B 94 -5.829 -5.838 -10.700 1.00 0.00 H new ATOM 0 HH22 ARG B 94 -5.263 -7.270 -9.834 1.00 0.00 H new ATOM 1419 N VAL B 95 -4.219 2.345 -6.532 1.00 0.00 N ATOM 1420 CA VAL B 95 -4.488 3.511 -5.663 1.00 0.00 C ATOM 1421 C VAL B 95 -4.805 4.781 -6.478 1.00 0.00 C ATOM 1422 O VAL B 95 -5.633 5.589 -6.060 1.00 0.00 O ATOM 1423 CB VAL B 95 -3.349 3.750 -4.639 1.00 0.00 C ATOM 1424 CG1 VAL B 95 -2.147 4.499 -5.239 1.00 0.00 C ATOM 1425 CG2 VAL B 95 -3.865 4.499 -3.400 1.00 0.00 C ATOM 0 H VAL B 95 -3.256 2.010 -6.498 1.00 0.00 H new ATOM 0 HA VAL B 95 -5.384 3.272 -5.089 1.00 0.00 H new ATOM 0 HB VAL B 95 -3.000 2.760 -4.344 1.00 0.00 H new ATOM 0 HG11 VAL B 95 -1.384 4.635 -4.473 1.00 0.00 H new ATOM 0 HG12 VAL B 95 -1.733 3.920 -6.065 1.00 0.00 H new ATOM 0 HG13 VAL B 95 -2.471 5.473 -5.606 1.00 0.00 H new ATOM 0 HG21 VAL B 95 -3.044 4.652 -2.699 1.00 0.00 H new ATOM 0 HG22 VAL B 95 -4.270 5.465 -3.701 1.00 0.00 H new ATOM 0 HG23 VAL B 95 -4.647 3.912 -2.919 1.00 0.00 H new ATOM 1435 N LEU B 96 -4.201 4.939 -7.667 1.00 0.00 N ATOM 1436 CA LEU B 96 -4.453 6.073 -8.565 1.00 0.00 C ATOM 1437 C LEU B 96 -5.860 6.043 -9.183 1.00 0.00 C ATOM 1438 O LEU B 96 -6.456 7.101 -9.364 1.00 0.00 O ATOM 1439 CB LEU B 96 -3.370 6.106 -9.661 1.00 0.00 C ATOM 1440 CG LEU B 96 -1.977 6.594 -9.205 1.00 0.00 C ATOM 1441 CD1 LEU B 96 -0.973 6.399 -10.352 1.00 0.00 C ATOM 1442 CD2 LEU B 96 -1.979 8.076 -8.790 1.00 0.00 C ATOM 0 H LEU B 96 -3.518 4.276 -8.033 1.00 0.00 H new ATOM 0 HA LEU B 96 -4.404 6.986 -7.971 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -3.267 5.103 -10.076 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -3.715 6.751 -10.469 1.00 0.00 H new ATOM 0 HG LEU B 96 -1.695 6.006 -8.332 1.00 0.00 H new ATOM 0 HD11 LEU B 96 0.012 6.742 -10.036 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -0.922 5.343 -10.615 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -1.296 6.974 -11.220 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -0.976 8.368 -8.478 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -2.289 8.690 -9.635 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -2.673 8.221 -7.962 1.00 0.00 H new ATOM 1454 N ASN B 97 -6.432 4.858 -9.427 1.00 0.00 N ATOM 1455 CA ASN B 97 -7.789 4.679 -9.974 1.00 0.00 C ATOM 1456 C ASN B 97 -8.906 5.348 -9.125 1.00 0.00 C ATOM 1457 O ASN B 97 -9.994 5.631 -9.632 1.00 0.00 O ATOM 1458 CB ASN B 97 -8.020 3.167 -10.168 1.00 0.00 C ATOM 1459 CG ASN B 97 -9.362 2.801 -10.798 1.00 0.00 C ATOM 1460 OD1 ASN B 97 -9.895 3.510 -11.640 1.00 0.00 O ATOM 1461 ND2 ASN B 97 -9.946 1.685 -10.410 1.00 0.00 N ATOM 0 H ASN B 97 -5.956 3.974 -9.247 1.00 0.00 H new ATOM 0 HA ASN B 97 -7.852 5.197 -10.931 1.00 0.00 H new ATOM 0 HB2 ASN B 97 -7.220 2.769 -10.793 1.00 0.00 H new ATOM 0 HB3 ASN B 97 -7.943 2.674 -9.199 1.00 0.00 H new ATOM 0 HD21 ASN B 97 -10.843 1.412 -10.812 1.00 0.00 H new ATOM 0 HD22 ASN B 97 -9.501 1.094 -9.708 1.00 0.00 H new ATOM 1468 N LYS B 98 -8.636 5.694 -7.857 1.00 0.00 N ATOM 1469 CA LYS B 98 -9.518 6.529 -7.024 1.00 0.00 C ATOM 1470 C LYS B 98 -9.730 7.948 -7.593 1.00 0.00 C ATOM 1471 O LYS B 98 -10.803 8.519 -7.415 1.00 0.00 O ATOM 1472 CB LYS B 98 -8.938 6.626 -5.600 1.00 0.00 C ATOM 1473 CG LYS B 98 -8.909 5.310 -4.804 1.00 0.00 C ATOM 1474 CD LYS B 98 -10.310 4.733 -4.548 1.00 0.00 C ATOM 1475 CE LYS B 98 -10.226 3.655 -3.464 1.00 0.00 C ATOM 1476 NZ LYS B 98 -11.527 2.985 -3.239 1.00 0.00 N ATOM 0 H LYS B 98 -7.788 5.398 -7.374 1.00 0.00 H new ATOM 0 HA LYS B 98 -10.495 6.045 -7.012 1.00 0.00 H new ATOM 0 HB2 LYS B 98 -7.921 7.012 -5.667 1.00 0.00 H new ATOM 0 HB3 LYS B 98 -9.520 7.357 -5.039 1.00 0.00 H new ATOM 0 HG2 LYS B 98 -8.313 4.576 -5.347 1.00 0.00 H new ATOM 0 HG3 LYS B 98 -8.412 5.480 -3.849 1.00 0.00 H new ATOM 0 HD2 LYS B 98 -10.990 5.526 -4.236 1.00 0.00 H new ATOM 0 HD3 LYS B 98 -10.714 4.309 -5.467 1.00 0.00 H new ATOM 0 HE2 LYS B 98 -9.481 2.912 -3.750 1.00 0.00 H new ATOM 0 HE3 LYS B 98 -9.885 4.105 -2.532 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 -11.422 2.263 -2.497 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 -12.233 3.688 -2.941 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 -11.841 2.532 -4.121 1.00 0.00 H new ATOM 1490 N LEU B 99 -8.748 8.514 -8.309 1.00 0.00 N ATOM 1491 CA LEU B 99 -8.868 9.802 -9.014 1.00 0.00 C ATOM 1492 C LEU B 99 -9.763 9.731 -10.268 1.00 0.00 C ATOM 1493 O LEU B 99 -10.052 10.774 -10.860 1.00 0.00 O ATOM 1494 CB LEU B 99 -7.456 10.316 -9.379 1.00 0.00 C ATOM 1495 CG LEU B 99 -6.532 10.630 -8.181 1.00 0.00 C ATOM 1496 CD1 LEU B 99 -5.123 10.955 -8.693 1.00 0.00 C ATOM 1497 CD2 LEU B 99 -7.058 11.808 -7.346 1.00 0.00 C ATOM 0 H LEU B 99 -7.830 8.083 -8.417 1.00 0.00 H new ATOM 0 HA LEU B 99 -9.360 10.500 -8.337 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -6.968 9.570 -10.006 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -7.561 11.219 -9.981 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.507 9.750 -7.539 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.471 11.177 -7.848 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.729 10.099 -9.241 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -5.167 11.820 -9.354 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.379 11.996 -6.514 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -7.120 12.698 -7.972 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -8.048 11.566 -6.959 1.00 0.00 H new ATOM 1509 N GLY B 100 -10.188 8.533 -10.687 1.00 0.00 N ATOM 1510 CA GLY B 100 -10.909 8.289 -11.939 1.00 0.00 C ATOM 1511 C GLY B 100 -9.935 7.902 -13.049 1.00 0.00 C ATOM 1512 O GLY B 100 -9.067 7.057 -12.834 1.00 0.00 O ATOM 0 H GLY B 100 -10.034 7.682 -10.147 1.00 0.00 H new ATOM 0 HA2 GLY B 100 -11.641 7.494 -11.795 1.00 0.00 H new ATOM 0 HA3 GLY B 100 -11.462 9.183 -12.227 1.00 0.00 H new ATOM 1516 N GLY B 101 -10.089 8.489 -14.240 1.00 0.00 N ATOM 1517 CA GLY B 101 -9.226 8.219 -15.398 1.00 0.00 C ATOM 1518 C GLY B 101 -7.925 9.022 -15.342 1.00 0.00 C ATOM 1519 O GLY B 101 -7.976 10.247 -15.212 1.00 0.00 O ATOM 0 H GLY B 101 -10.823 9.172 -14.431 1.00 0.00 H new ATOM 0 HA2 GLY B 101 -8.994 7.155 -15.437 1.00 0.00 H new ATOM 0 HA3 GLY B 101 -9.763 8.462 -16.315 1.00 0.00 H new ATOM 1523 N VAL B 102 -6.780 8.349 -15.470 1.00 0.00 N ATOM 1524 CA VAL B 102 -5.437 8.949 -15.450 1.00 0.00 C ATOM 1525 C VAL B 102 -4.535 8.260 -16.481 1.00 0.00 C ATOM 1526 O VAL B 102 -4.445 7.036 -16.527 1.00 0.00 O ATOM 1527 CB VAL B 102 -4.779 8.886 -14.043 1.00 0.00 C ATOM 1528 CG1 VAL B 102 -5.379 9.912 -13.065 1.00 0.00 C ATOM 1529 CG2 VAL B 102 -4.858 7.507 -13.364 1.00 0.00 C ATOM 0 H VAL B 102 -6.757 7.337 -15.595 1.00 0.00 H new ATOM 0 HA VAL B 102 -5.553 10.002 -15.707 1.00 0.00 H new ATOM 0 HB VAL B 102 -3.734 9.114 -14.250 1.00 0.00 H new ATOM 0 HG11 VAL B 102 -4.884 9.825 -12.098 1.00 0.00 H new ATOM 0 HG12 VAL B 102 -5.233 10.918 -13.458 1.00 0.00 H new ATOM 0 HG13 VAL B 102 -6.445 9.720 -12.945 1.00 0.00 H new ATOM 0 HG21 VAL B 102 -4.375 7.554 -12.388 1.00 0.00 H new ATOM 0 HG22 VAL B 102 -5.903 7.223 -13.239 1.00 0.00 H new ATOM 0 HG23 VAL B 102 -4.352 6.767 -13.984 1.00 0.00 H new ATOM 1539 N LYS B 103 -3.844 9.049 -17.307 1.00 0.00 N ATOM 1540 CA LYS B 103 -2.823 8.561 -18.242 1.00 0.00 C ATOM 1541 C LYS B 103 -1.474 8.417 -17.519 1.00 0.00 C ATOM 1542 O LYS B 103 -0.964 9.392 -16.965 1.00 0.00 O ATOM 1543 CB LYS B 103 -2.729 9.542 -19.427 1.00 0.00 C ATOM 1544 CG LYS B 103 -3.979 9.471 -20.318 1.00 0.00 C ATOM 1545 CD LYS B 103 -3.973 10.457 -21.496 1.00 0.00 C ATOM 1546 CE LYS B 103 -4.463 11.870 -21.145 1.00 0.00 C ATOM 1547 NZ LYS B 103 -3.400 12.745 -20.599 1.00 0.00 N ATOM 0 H LYS B 103 -3.979 10.059 -17.347 1.00 0.00 H new ATOM 0 HA LYS B 103 -3.096 7.577 -18.623 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -2.606 10.558 -19.051 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -1.844 9.313 -20.021 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -4.076 8.458 -20.708 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -4.859 9.662 -19.704 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -2.960 10.525 -21.891 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -4.600 10.056 -22.293 1.00 0.00 H new ATOM 0 HE2 LYS B 103 -4.881 12.334 -22.039 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -5.271 11.796 -20.417 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 -3.713 13.736 -20.637 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -3.206 12.481 -19.612 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -2.534 12.633 -21.164 1.00 0.00 H new ATOM 1561 N TYR B 104 -0.883 7.218 -17.500 1.00 0.00 N ATOM 1562 CA TYR B 104 0.432 6.976 -16.877 1.00 0.00 C ATOM 1563 C TYR B 104 1.183 5.736 -17.386 1.00 0.00 C ATOM 1564 O TYR B 104 0.601 4.797 -17.935 1.00 0.00 O ATOM 1565 CB TYR B 104 0.325 6.954 -15.338 1.00 0.00 C ATOM 1566 CG TYR B 104 -0.371 5.748 -14.740 1.00 0.00 C ATOM 1567 CD1 TYR B 104 -1.772 5.653 -14.806 1.00 0.00 C ATOM 1568 CD2 TYR B 104 0.367 4.742 -14.084 1.00 0.00 C ATOM 1569 CE1 TYR B 104 -2.438 4.543 -14.262 1.00 0.00 C ATOM 1570 CE2 TYR B 104 -0.293 3.639 -13.509 1.00 0.00 C ATOM 1571 CZ TYR B 104 -1.697 3.523 -13.629 1.00 0.00 C ATOM 1572 OH TYR B 104 -2.336 2.431 -13.138 1.00 0.00 O ATOM 0 H TYR B 104 -1.299 6.384 -17.915 1.00 0.00 H new ATOM 0 HA TYR B 104 1.041 7.824 -17.192 1.00 0.00 H new ATOM 0 HB2 TYR B 104 1.331 7.012 -14.922 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -0.205 7.851 -15.017 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -2.341 6.440 -15.279 1.00 0.00 H new ATOM 0 HD2 TYR B 104 1.443 4.817 -14.022 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -3.514 4.470 -14.328 1.00 0.00 H new ATOM 0 HE2 TYR B 104 0.270 2.885 -12.979 1.00 0.00 H new ATOM 0 HH TYR B 104 -1.995 1.626 -13.581 1.00 0.00 H new ATOM 1582 N ASP B 105 2.494 5.735 -17.143 1.00 0.00 N ATOM 1583 CA ASP B 105 3.461 4.658 -17.369 1.00 0.00 C ATOM 1584 C ASP B 105 4.224 4.357 -16.059 1.00 0.00 C ATOM 1585 O ASP B 105 4.235 5.177 -15.140 1.00 0.00 O ATOM 1586 CB ASP B 105 4.442 5.100 -18.471 1.00 0.00 C ATOM 1587 CG ASP B 105 3.748 5.482 -19.782 1.00 0.00 C ATOM 1588 OD1 ASP B 105 3.435 4.567 -20.584 1.00 0.00 O ATOM 1589 OD2 ASP B 105 3.490 6.688 -19.994 1.00 0.00 O ATOM 0 H ASP B 105 2.947 6.559 -16.749 1.00 0.00 H new ATOM 0 HA ASP B 105 2.945 3.751 -17.683 1.00 0.00 H new ATOM 0 HB2 ASP B 105 5.021 5.951 -18.113 1.00 0.00 H new ATOM 0 HB3 ASP B 105 5.149 4.293 -18.664 1.00 0.00 H new ATOM 1594 N ILE B 106 4.879 3.195 -15.954 1.00 0.00 N ATOM 1595 CA ILE B 106 5.723 2.808 -14.798 1.00 0.00 C ATOM 1596 C ILE B 106 7.086 2.327 -15.305 1.00 0.00 C ATOM 1597 O ILE B 106 7.148 1.456 -16.174 1.00 0.00 O ATOM 1598 CB ILE B 106 5.009 1.732 -13.928 1.00 0.00 C ATOM 1599 CG1 ILE B 106 3.788 2.363 -13.213 1.00 0.00 C ATOM 1600 CG2 ILE B 106 5.953 1.093 -12.884 1.00 0.00 C ATOM 1601 CD1 ILE B 106 2.955 1.400 -12.356 1.00 0.00 C ATOM 0 H ILE B 106 4.842 2.478 -16.679 1.00 0.00 H new ATOM 0 HA ILE B 106 5.884 3.674 -14.156 1.00 0.00 H new ATOM 0 HB ILE B 106 4.683 0.937 -14.599 1.00 0.00 H new ATOM 0 HG12 ILE B 106 4.141 3.175 -12.577 1.00 0.00 H new ATOM 0 HG13 ILE B 106 3.137 2.807 -13.966 1.00 0.00 H new ATOM 0 HG21 ILE B 106 5.405 0.350 -12.304 1.00 0.00 H new ATOM 0 HG22 ILE B 106 6.787 0.612 -13.394 1.00 0.00 H new ATOM 0 HG23 ILE B 106 6.333 1.866 -12.216 1.00 0.00 H new ATOM 0 HD11 ILE B 106 2.126 1.942 -11.901 1.00 0.00 H new ATOM 0 HD12 ILE B 106 2.564 0.600 -12.984 1.00 0.00 H new ATOM 0 HD13 ILE B 106 3.583 0.973 -11.574 1.00 0.00 H new ATOM 1613 N ASP B 107 8.172 2.858 -14.745 1.00 0.00 N ATOM 1614 CA ASP B 107 9.559 2.468 -15.016 1.00 0.00 C ATOM 1615 C ASP B 107 10.074 1.652 -13.821 1.00 0.00 C ATOM 1616 O ASP B 107 10.586 2.204 -12.844 1.00 0.00 O ATOM 1617 CB ASP B 107 10.399 3.739 -15.252 1.00 0.00 C ATOM 1618 CG ASP B 107 11.673 3.502 -16.070 1.00 0.00 C ATOM 1619 OD1 ASP B 107 12.464 2.585 -15.752 1.00 0.00 O ATOM 1620 OD2 ASP B 107 11.901 4.281 -17.026 1.00 0.00 O ATOM 0 H ASP B 107 8.108 3.608 -14.057 1.00 0.00 H new ATOM 0 HA ASP B 107 9.632 1.850 -15.911 1.00 0.00 H new ATOM 0 HB2 ASP B 107 9.784 4.479 -15.764 1.00 0.00 H new ATOM 0 HB3 ASP B 107 10.673 4.165 -14.287 1.00 0.00 H new ATOM 1625 N LEU B 108 9.872 0.331 -13.846 1.00 0.00 N ATOM 1626 CA LEU B 108 10.199 -0.534 -12.711 1.00 0.00 C ATOM 1627 C LEU B 108 11.716 -0.649 -12.439 1.00 0.00 C ATOM 1628 O LEU B 108 12.068 -0.633 -11.256 1.00 0.00 O ATOM 1629 CB LEU B 108 9.478 -1.888 -12.873 1.00 0.00 C ATOM 1630 CG LEU B 108 9.493 -2.783 -11.615 1.00 0.00 C ATOM 1631 CD1 LEU B 108 8.842 -2.094 -10.404 1.00 0.00 C ATOM 1632 CD2 LEU B 108 8.751 -4.095 -11.902 1.00 0.00 C ATOM 0 H LEU B 108 9.480 -0.164 -14.647 1.00 0.00 H new ATOM 0 HA LEU B 108 9.823 -0.067 -11.801 1.00 0.00 H new ATOM 0 HB2 LEU B 108 8.442 -1.701 -13.156 1.00 0.00 H new ATOM 0 HB3 LEU B 108 9.940 -2.434 -13.696 1.00 0.00 H new ATOM 0 HG LEU B 108 10.537 -2.980 -11.371 1.00 0.00 H new ATOM 0 HD11 LEU B 108 8.876 -2.762 -9.543 1.00 0.00 H new ATOM 0 HD12 LEU B 108 9.383 -1.177 -10.173 1.00 0.00 H new ATOM 0 HD13 LEU B 108 7.804 -1.854 -10.636 1.00 0.00 H new ATOM 0 HD21 LEU B 108 8.764 -4.723 -11.011 1.00 0.00 H new ATOM 0 HD22 LEU B 108 7.719 -3.877 -12.177 1.00 0.00 H new ATOM 0 HD23 LEU B 108 9.242 -4.619 -12.722 1.00 0.00 H new ATOM 1644 N PRO B 109 12.623 -0.695 -13.444 1.00 0.00 N ATOM 1645 CA PRO B 109 14.070 -0.638 -13.212 1.00 0.00 C ATOM 1646 C PRO B 109 14.521 0.633 -12.481 1.00 0.00 C ATOM 1647 O PRO B 109 15.329 0.540 -11.558 1.00 0.00 O ATOM 1648 CB PRO B 109 14.721 -0.747 -14.598 1.00 0.00 C ATOM 1649 CG PRO B 109 13.678 -1.509 -15.410 1.00 0.00 C ATOM 1650 CD PRO B 109 12.370 -0.954 -14.857 1.00 0.00 C ATOM 0 HA PRO B 109 14.374 -1.450 -12.551 1.00 0.00 H new ATOM 0 HB2 PRO B 109 14.927 0.234 -15.025 1.00 0.00 H new ATOM 0 HB3 PRO B 109 15.670 -1.282 -14.557 1.00 0.00 H new ATOM 0 HG2 PRO B 109 13.779 -1.323 -16.479 1.00 0.00 H new ATOM 0 HG3 PRO B 109 13.757 -2.586 -15.265 1.00 0.00 H new ATOM 0 HD2 PRO B 109 12.080 -0.041 -15.377 1.00 0.00 H new ATOM 0 HD3 PRO B 109 11.556 -1.667 -14.986 1.00 0.00 H new ATOM 1658 N ASN B 110 13.980 1.804 -12.850 1.00 0.00 N ATOM 1659 CA ASN B 110 14.280 3.093 -12.201 1.00 0.00 C ATOM 1660 C ASN B 110 13.352 3.417 -11.010 1.00 0.00 C ATOM 1661 O ASN B 110 13.477 4.478 -10.399 1.00 0.00 O ATOM 1662 CB ASN B 110 14.240 4.216 -13.248 1.00 0.00 C ATOM 1663 CG ASN B 110 15.399 4.117 -14.229 1.00 0.00 C ATOM 1664 OD1 ASN B 110 16.475 4.657 -13.996 1.00 0.00 O ATOM 1665 ND2 ASN B 110 15.224 3.441 -15.347 1.00 0.00 N ATOM 0 H ASN B 110 13.313 1.885 -13.617 1.00 0.00 H new ATOM 0 HA ASN B 110 15.281 3.013 -11.778 1.00 0.00 H new ATOM 0 HB2 ASN B 110 13.297 4.171 -13.794 1.00 0.00 H new ATOM 0 HB3 ASN B 110 14.271 5.183 -12.745 1.00 0.00 H new ATOM 0 HD21 ASN B 110 15.985 3.366 -16.022 1.00 0.00 H new ATOM 0 HD22 ASN B 110 14.328 2.993 -15.537 1.00 0.00 H new ATOM 1672 N LYS B 111 12.396 2.536 -10.691 1.00 0.00 N ATOM 1673 CA LYS B 111 11.517 2.589 -9.510 1.00 0.00 C ATOM 1674 C LYS B 111 10.611 3.846 -9.460 1.00 0.00 C ATOM 1675 O LYS B 111 10.231 4.318 -8.378 1.00 0.00 O ATOM 1676 CB LYS B 111 12.353 2.387 -8.224 1.00 0.00 C ATOM 1677 CG LYS B 111 13.229 1.131 -8.159 1.00 0.00 C ATOM 1678 CD LYS B 111 12.351 -0.091 -7.909 1.00 0.00 C ATOM 1679 CE LYS B 111 13.116 -1.420 -7.941 1.00 0.00 C ATOM 1680 NZ LYS B 111 13.784 -1.654 -9.243 1.00 0.00 N ATOM 0 H LYS B 111 12.202 1.724 -11.278 1.00 0.00 H new ATOM 0 HA LYS B 111 10.809 1.764 -9.589 1.00 0.00 H new ATOM 0 HB2 LYS B 111 12.997 3.257 -8.097 1.00 0.00 H new ATOM 0 HB3 LYS B 111 11.670 2.369 -7.374 1.00 0.00 H new ATOM 0 HG2 LYS B 111 13.780 1.011 -9.092 1.00 0.00 H new ATOM 0 HG3 LYS B 111 13.967 1.230 -7.363 1.00 0.00 H new ATOM 0 HD2 LYS B 111 11.865 0.015 -6.939 1.00 0.00 H new ATOM 0 HD3 LYS B 111 11.561 -0.119 -8.660 1.00 0.00 H new ATOM 0 HE2 LYS B 111 13.862 -1.426 -7.146 1.00 0.00 H new ATOM 0 HE3 LYS B 111 12.426 -2.239 -7.737 1.00 0.00 H new ATOM 0 HZ1 LYS B 111 13.915 -2.676 -9.387 1.00 0.00 H new ATOM 0 HZ2 LYS B 111 13.195 -1.269 -10.009 1.00 0.00 H new ATOM 0 HZ3 LYS B 111 14.711 -1.182 -9.248 1.00 0.00 H new ATOM 1694 N LYS B 112 10.228 4.393 -10.625 1.00 0.00 N ATOM 1695 CA LYS B 112 9.368 5.583 -10.731 1.00 0.00 C ATOM 1696 C LYS B 112 8.064 5.336 -11.513 1.00 0.00 C ATOM 1697 O LYS B 112 8.011 4.478 -12.391 1.00 0.00 O ATOM 1698 CB LYS B 112 10.181 6.786 -11.266 1.00 0.00 C ATOM 1699 CG LYS B 112 10.629 6.679 -12.734 1.00 0.00 C ATOM 1700 CD LYS B 112 11.463 7.902 -13.150 1.00 0.00 C ATOM 1701 CE LYS B 112 11.790 7.892 -14.652 1.00 0.00 C ATOM 1702 NZ LYS B 112 12.682 9.020 -15.017 1.00 0.00 N ATOM 0 H LYS B 112 10.510 4.017 -11.530 1.00 0.00 H new ATOM 0 HA LYS B 112 9.029 5.829 -9.725 1.00 0.00 H new ATOM 0 HB2 LYS B 112 9.580 7.688 -11.152 1.00 0.00 H new ATOM 0 HB3 LYS B 112 11.066 6.911 -10.642 1.00 0.00 H new ATOM 0 HG2 LYS B 112 11.216 5.771 -12.873 1.00 0.00 H new ATOM 0 HG3 LYS B 112 9.754 6.595 -13.379 1.00 0.00 H new ATOM 0 HD2 LYS B 112 10.918 8.813 -12.904 1.00 0.00 H new ATOM 0 HD3 LYS B 112 12.390 7.920 -12.577 1.00 0.00 H new ATOM 0 HE2 LYS B 112 12.267 6.948 -14.916 1.00 0.00 H new ATOM 0 HE3 LYS B 112 10.867 7.955 -15.228 1.00 0.00 H new ATOM 0 HZ1 LYS B 112 12.735 9.099 -16.053 1.00 0.00 H new ATOM 0 HZ2 LYS B 112 12.304 9.904 -14.621 1.00 0.00 H new ATOM 0 HZ3 LYS B 112 13.633 8.848 -14.634 1.00 0.00 H new ATOM 1716 N VAL B 113 7.017 6.096 -11.190 1.00 0.00 N ATOM 1717 CA VAL B 113 5.803 6.236 -12.016 1.00 0.00 C ATOM 1718 C VAL B 113 5.904 7.536 -12.806 1.00 0.00 C ATOM 1719 O VAL B 113 6.369 8.540 -12.271 1.00 0.00 O ATOM 1720 CB VAL B 113 4.498 6.184 -11.183 1.00 0.00 C ATOM 1721 CG1 VAL B 113 4.382 7.282 -10.116 1.00 0.00 C ATOM 1722 CG2 VAL B 113 3.234 6.172 -12.055 1.00 0.00 C ATOM 0 H VAL B 113 6.982 6.645 -10.331 1.00 0.00 H new ATOM 0 HA VAL B 113 5.748 5.386 -12.696 1.00 0.00 H new ATOM 0 HB VAL B 113 4.570 5.233 -10.656 1.00 0.00 H new ATOM 0 HG11 VAL B 113 3.439 7.171 -9.581 1.00 0.00 H new ATOM 0 HG12 VAL B 113 5.211 7.196 -9.413 1.00 0.00 H new ATOM 0 HG13 VAL B 113 4.414 8.260 -10.596 1.00 0.00 H new ATOM 0 HG21 VAL B 113 2.352 6.135 -11.416 1.00 0.00 H new ATOM 0 HG22 VAL B 113 3.204 7.075 -12.664 1.00 0.00 H new ATOM 0 HG23 VAL B 113 3.248 5.297 -12.705 1.00 0.00 H new ATOM 1732 N CYS B 114 5.476 7.502 -14.066 1.00 0.00 N ATOM 1733 CA CYS B 114 5.520 8.617 -15.005 1.00 0.00 C ATOM 1734 C CYS B 114 4.077 8.927 -15.448 1.00 0.00 C ATOM 1735 O CYS B 114 3.540 8.296 -16.359 1.00 0.00 O ATOM 1736 CB CYS B 114 6.462 8.225 -16.165 1.00 0.00 C ATOM 1737 SG CYS B 114 8.094 7.721 -15.534 1.00 0.00 S ATOM 0 H CYS B 114 5.072 6.660 -14.476 1.00 0.00 H new ATOM 0 HA CYS B 114 5.919 9.530 -14.564 1.00 0.00 H new ATOM 0 HB2 CYS B 114 6.021 7.409 -16.737 1.00 0.00 H new ATOM 0 HB3 CYS B 114 6.576 9.067 -16.847 1.00 0.00 H new ATOM 0 HG CYS B 114 8.941 8.693 -15.697 1.00 0.00 H new ATOM 1743 N ILE B 115 3.424 9.865 -14.768 1.00 0.00 N ATOM 1744 CA ILE B 115 2.022 10.277 -15.012 1.00 0.00 C ATOM 1745 C ILE B 115 1.948 11.411 -16.066 1.00 0.00 C ATOM 1746 O ILE B 115 2.903 12.170 -16.231 1.00 0.00 O ATOM 1747 CB ILE B 115 1.328 10.604 -13.655 1.00 0.00 C ATOM 1748 CG1 ILE B 115 1.513 9.457 -12.625 1.00 0.00 C ATOM 1749 CG2 ILE B 115 -0.167 10.925 -13.842 1.00 0.00 C ATOM 1750 CD1 ILE B 115 0.928 9.700 -11.229 1.00 0.00 C ATOM 0 H ILE B 115 3.859 10.383 -14.005 1.00 0.00 H new ATOM 0 HA ILE B 115 1.459 9.454 -15.453 1.00 0.00 H new ATOM 0 HB ILE B 115 1.817 11.495 -13.260 1.00 0.00 H new ATOM 0 HG12 ILE B 115 1.061 8.553 -13.034 1.00 0.00 H new ATOM 0 HG13 ILE B 115 2.580 9.260 -12.520 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -0.615 11.148 -12.874 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -0.274 11.788 -14.499 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -0.671 10.066 -14.286 1.00 0.00 H new ATOM 0 HD11 ILE B 115 1.119 8.832 -10.598 1.00 0.00 H new ATOM 0 HD12 ILE B 115 1.396 10.579 -10.786 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -0.147 9.862 -11.308 1.00 0.00 H new ATOM 1762 N GLU B 116 0.836 11.494 -16.809 1.00 0.00 N ATOM 1763 CA GLU B 116 0.512 12.480 -17.854 1.00 0.00 C ATOM 1764 C GLU B 116 -0.875 13.115 -17.560 1.00 0.00 C ATOM 1765 O GLU B 116 -1.820 12.964 -18.333 1.00 0.00 O ATOM 1766 CB GLU B 116 0.543 11.783 -19.241 1.00 0.00 C ATOM 1767 CG GLU B 116 0.539 12.754 -20.441 1.00 0.00 C ATOM 1768 CD GLU B 116 -0.104 12.149 -21.704 1.00 0.00 C ATOM 1769 OE1 GLU B 116 0.389 11.132 -22.248 1.00 0.00 O ATOM 1770 OE2 GLU B 116 -1.122 12.705 -22.181 1.00 0.00 O ATOM 0 H GLU B 116 0.079 10.821 -16.687 1.00 0.00 H new ATOM 0 HA GLU B 116 1.250 13.282 -17.860 1.00 0.00 H new ATOM 0 HB2 GLU B 116 1.432 11.156 -19.299 1.00 0.00 H new ATOM 0 HB3 GLU B 116 -0.319 11.121 -19.321 1.00 0.00 H new ATOM 0 HG2 GLU B 116 0.001 13.661 -20.165 1.00 0.00 H new ATOM 0 HG3 GLU B 116 1.564 13.047 -20.667 1.00 0.00 H new ATOM 1777 N SER B 117 -1.059 13.764 -16.405 1.00 0.00 N ATOM 1778 CA SER B 117 -2.386 14.181 -15.899 1.00 0.00 C ATOM 1779 C SER B 117 -2.612 15.709 -15.900 1.00 0.00 C ATOM 1780 O SER B 117 -1.660 16.487 -15.891 1.00 0.00 O ATOM 1781 CB SER B 117 -2.553 13.622 -14.476 1.00 0.00 C ATOM 1782 OG SER B 117 -3.818 13.919 -13.912 1.00 0.00 O ATOM 0 H SER B 117 -0.290 14.020 -15.785 1.00 0.00 H new ATOM 0 HA SER B 117 -3.136 13.779 -16.580 1.00 0.00 H new ATOM 0 HB2 SER B 117 -2.415 12.541 -14.497 1.00 0.00 H new ATOM 0 HB3 SER B 117 -1.771 14.031 -13.836 1.00 0.00 H new ATOM 0 HG SER B 117 -3.871 13.540 -13.010 1.00 0.00 H new ATOM 1788 N GLU B 118 -3.873 16.167 -15.838 1.00 0.00 N ATOM 1789 CA GLU B 118 -4.208 17.580 -15.583 1.00 0.00 C ATOM 1790 C GLU B 118 -4.147 17.962 -14.090 1.00 0.00 C ATOM 1791 O GLU B 118 -4.250 19.138 -13.736 1.00 0.00 O ATOM 1792 CB GLU B 118 -5.561 17.965 -16.216 1.00 0.00 C ATOM 1793 CG GLU B 118 -6.818 17.360 -15.568 1.00 0.00 C ATOM 1794 CD GLU B 118 -7.031 15.903 -15.957 1.00 0.00 C ATOM 1795 OE1 GLU B 118 -6.464 15.011 -15.294 1.00 0.00 O ATOM 1796 OE2 GLU B 118 -7.748 15.617 -16.947 1.00 0.00 O ATOM 0 H GLU B 118 -4.690 15.569 -15.963 1.00 0.00 H new ATOM 0 HA GLU B 118 -3.431 18.167 -16.073 1.00 0.00 H new ATOM 0 HB2 GLU B 118 -5.653 19.051 -16.191 1.00 0.00 H new ATOM 0 HB3 GLU B 118 -5.543 17.671 -17.265 1.00 0.00 H new ATOM 0 HG2 GLU B 118 -6.736 17.435 -14.484 1.00 0.00 H new ATOM 0 HG3 GLU B 118 -7.691 17.943 -15.862 1.00 0.00 H new ATOM 1803 N HIS B 119 -3.958 16.986 -13.202 1.00 0.00 N ATOM 1804 CA HIS B 119 -3.811 17.210 -11.763 1.00 0.00 C ATOM 1805 C HIS B 119 -2.487 17.901 -11.390 1.00 0.00 C ATOM 1806 O HIS B 119 -1.433 17.617 -11.964 1.00 0.00 O ATOM 1807 CB HIS B 119 -3.946 15.874 -11.015 1.00 0.00 C ATOM 1808 CG HIS B 119 -5.374 15.412 -10.892 1.00 0.00 C ATOM 1809 ND1 HIS B 119 -6.405 16.180 -10.409 1.00 0.00 N ATOM 1810 CD2 HIS B 119 -5.895 14.183 -11.202 1.00 0.00 C ATOM 1811 CE1 HIS B 119 -7.524 15.448 -10.447 1.00 0.00 C ATOM 1812 NE2 HIS B 119 -7.270 14.212 -10.919 1.00 0.00 N ATOM 0 H HIS B 119 -3.902 16.002 -13.466 1.00 0.00 H new ATOM 0 HA HIS B 119 -4.608 17.890 -11.462 1.00 0.00 H new ATOM 0 HB2 HIS B 119 -3.367 15.112 -11.536 1.00 0.00 H new ATOM 0 HB3 HIS B 119 -3.516 15.976 -10.019 1.00 0.00 H new ATOM 0 HD2 HIS B 119 -5.345 13.341 -11.595 1.00 0.00 H new ATOM 0 HE1 HIS B 119 -8.498 15.800 -10.141 1.00 0.00 H new ATOM 0 HE2 HIS B 119 -7.939 13.453 -11.045 1.00 0.00 H new ATOM 1820 N SER B 120 -2.522 18.761 -10.371 1.00 0.00 N ATOM 1821 CA SER B 120 -1.312 19.305 -9.730 1.00 0.00 C ATOM 1822 C SER B 120 -0.589 18.211 -8.925 1.00 0.00 C ATOM 1823 O SER B 120 -1.233 17.340 -8.327 1.00 0.00 O ATOM 1824 CB SER B 120 -1.637 20.525 -8.841 1.00 0.00 C ATOM 1825 OG SER B 120 -3.000 20.605 -8.447 1.00 0.00 O ATOM 0 H SER B 120 -3.391 19.104 -9.962 1.00 0.00 H new ATOM 0 HA SER B 120 -0.644 19.650 -10.519 1.00 0.00 H new ATOM 0 HB2 SER B 120 -1.013 20.488 -7.948 1.00 0.00 H new ATOM 0 HB3 SER B 120 -1.371 21.435 -9.379 1.00 0.00 H new ATOM 0 HG SER B 120 -3.133 21.398 -7.887 1.00 0.00 H new ATOM 1831 N MET B 121 0.748 18.244 -8.892 1.00 0.00 N ATOM 1832 CA MET B 121 1.572 17.119 -8.420 1.00 0.00 C ATOM 1833 C MET B 121 1.330 16.735 -6.956 1.00 0.00 C ATOM 1834 O MET B 121 1.434 15.562 -6.607 1.00 0.00 O ATOM 1835 CB MET B 121 3.060 17.398 -8.696 1.00 0.00 C ATOM 1836 CG MET B 121 3.622 18.623 -7.958 1.00 0.00 C ATOM 1837 SD MET B 121 5.061 18.292 -6.909 1.00 0.00 S ATOM 1838 CE MET B 121 4.342 17.315 -5.570 1.00 0.00 C ATOM 0 H MET B 121 1.293 19.052 -9.192 1.00 0.00 H new ATOM 0 HA MET B 121 1.259 16.246 -8.992 1.00 0.00 H new ATOM 0 HB2 MET B 121 3.641 16.520 -8.413 1.00 0.00 H new ATOM 0 HB3 MET B 121 3.198 17.539 -9.768 1.00 0.00 H new ATOM 0 HG2 MET B 121 3.895 19.379 -8.695 1.00 0.00 H new ATOM 0 HG3 MET B 121 2.832 19.050 -7.341 1.00 0.00 H new ATOM 0 HE1 MET B 121 5.080 17.182 -4.779 1.00 0.00 H new ATOM 0 HE2 MET B 121 3.470 17.833 -5.169 1.00 0.00 H new ATOM 0 HE3 MET B 121 4.041 16.340 -5.952 1.00 0.00 H new ATOM 1848 N ASP B 122 0.938 17.685 -6.106 1.00 0.00 N ATOM 1849 CA ASP B 122 0.611 17.471 -4.691 1.00 0.00 C ATOM 1850 C ASP B 122 -0.638 16.582 -4.493 1.00 0.00 C ATOM 1851 O ASP B 122 -0.765 15.914 -3.460 1.00 0.00 O ATOM 1852 CB ASP B 122 0.436 18.850 -4.032 1.00 0.00 C ATOM 1853 CG ASP B 122 1.737 19.666 -4.026 1.00 0.00 C ATOM 1854 OD1 ASP B 122 2.055 20.308 -5.056 1.00 0.00 O ATOM 1855 OD2 ASP B 122 2.443 19.653 -2.989 1.00 0.00 O ATOM 0 H ASP B 122 0.835 18.659 -6.391 1.00 0.00 H new ATOM 0 HA ASP B 122 1.427 16.926 -4.216 1.00 0.00 H new ATOM 0 HB2 ASP B 122 -0.337 19.407 -4.562 1.00 0.00 H new ATOM 0 HB3 ASP B 122 0.088 18.718 -3.007 1.00 0.00 H new ATOM 1860 N THR B 123 -1.532 16.529 -5.493 1.00 0.00 N ATOM 1861 CA THR B 123 -2.712 15.641 -5.577 1.00 0.00 C ATOM 1862 C THR B 123 -2.288 14.194 -5.811 1.00 0.00 C ATOM 1863 O THR B 123 -2.776 13.265 -5.164 1.00 0.00 O ATOM 1864 CB THR B 123 -3.651 16.057 -6.731 1.00 0.00 C ATOM 1865 OG1 THR B 123 -3.577 17.436 -7.003 1.00 0.00 O ATOM 1866 CG2 THR B 123 -5.107 15.720 -6.425 1.00 0.00 C ATOM 0 H THR B 123 -1.451 17.135 -6.310 1.00 0.00 H new ATOM 0 HA THR B 123 -3.239 15.730 -4.627 1.00 0.00 H new ATOM 0 HB THR B 123 -3.312 15.493 -7.600 1.00 0.00 H new ATOM 0 HG1 THR B 123 -2.846 17.606 -7.634 1.00 0.00 H new ATOM 0 HG21 THR B 123 -5.735 16.028 -7.261 1.00 0.00 H new ATOM 0 HG22 THR B 123 -5.207 14.645 -6.273 1.00 0.00 H new ATOM 0 HG23 THR B 123 -5.420 16.245 -5.523 1.00 0.00 H new ATOM 1874 N LEU B 124 -1.350 14.019 -6.746 1.00 0.00 N ATOM 1875 CA LEU B 124 -0.781 12.731 -7.137 1.00 0.00 C ATOM 1876 C LEU B 124 0.092 12.178 -6.002 1.00 0.00 C ATOM 1877 O LEU B 124 -0.100 11.034 -5.596 1.00 0.00 O ATOM 1878 CB LEU B 124 0.002 12.912 -8.457 1.00 0.00 C ATOM 1879 CG LEU B 124 -0.827 13.465 -9.641 1.00 0.00 C ATOM 1880 CD1 LEU B 124 0.078 13.721 -10.854 1.00 0.00 C ATOM 1881 CD2 LEU B 124 -1.965 12.514 -10.038 1.00 0.00 C ATOM 0 H LEU B 124 -0.953 14.800 -7.269 1.00 0.00 H new ATOM 0 HA LEU B 124 -1.569 11.998 -7.312 1.00 0.00 H new ATOM 0 HB2 LEU B 124 0.840 13.585 -8.275 1.00 0.00 H new ATOM 0 HB3 LEU B 124 0.423 11.949 -8.747 1.00 0.00 H new ATOM 0 HG LEU B 124 -1.272 14.404 -9.312 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -0.520 14.110 -11.678 1.00 0.00 H new ATOM 0 HD12 LEU B 124 0.846 14.448 -10.588 1.00 0.00 H new ATOM 0 HD13 LEU B 124 0.552 12.788 -11.158 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -2.521 12.941 -10.873 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -1.548 11.551 -10.334 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -2.635 12.374 -9.189 1.00 0.00 H new ATOM 1893 N LEU B 125 0.965 13.014 -5.426 1.00 0.00 N ATOM 1894 CA LEU B 125 1.791 12.695 -4.258 1.00 0.00 C ATOM 1895 C LEU B 125 0.941 12.242 -3.064 1.00 0.00 C ATOM 1896 O LEU B 125 1.259 11.220 -2.466 1.00 0.00 O ATOM 1897 CB LEU B 125 2.660 13.925 -3.920 1.00 0.00 C ATOM 1898 CG LEU B 125 3.608 13.753 -2.714 1.00 0.00 C ATOM 1899 CD1 LEU B 125 4.598 12.595 -2.909 1.00 0.00 C ATOM 1900 CD2 LEU B 125 4.393 15.053 -2.485 1.00 0.00 C ATOM 0 H LEU B 125 1.120 13.961 -5.772 1.00 0.00 H new ATOM 0 HA LEU B 125 2.441 11.852 -4.493 1.00 0.00 H new ATOM 0 HB2 LEU B 125 3.256 14.180 -4.796 1.00 0.00 H new ATOM 0 HB3 LEU B 125 2.002 14.772 -3.726 1.00 0.00 H new ATOM 0 HG LEU B 125 2.990 13.520 -1.847 1.00 0.00 H new ATOM 0 HD11 LEU B 125 5.242 12.516 -2.033 1.00 0.00 H new ATOM 0 HD12 LEU B 125 4.047 11.664 -3.040 1.00 0.00 H new ATOM 0 HD13 LEU B 125 5.208 12.783 -3.793 1.00 0.00 H new ATOM 0 HD21 LEU B 125 5.062 14.929 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU B 125 4.978 15.286 -3.375 1.00 0.00 H new ATOM 0 HD23 LEU B 125 3.697 15.868 -2.285 1.00 0.00 H new ATOM 1912 N ALA B 126 -0.153 12.945 -2.744 1.00 0.00 N ATOM 1913 CA ALA B 126 -1.064 12.546 -1.665 1.00 0.00 C ATOM 1914 C ALA B 126 -1.698 11.167 -1.918 1.00 0.00 C ATOM 1915 O ALA B 126 -1.714 10.322 -1.018 1.00 0.00 O ATOM 1916 CB ALA B 126 -2.132 13.634 -1.492 1.00 0.00 C ATOM 0 H ALA B 126 -0.430 13.802 -3.223 1.00 0.00 H new ATOM 0 HA ALA B 126 -0.493 12.447 -0.742 1.00 0.00 H new ATOM 0 HB1 ALA B 126 -2.816 13.349 -0.692 1.00 0.00 H new ATOM 0 HB2 ALA B 126 -1.651 14.579 -1.239 1.00 0.00 H new ATOM 0 HB3 ALA B 126 -2.689 13.748 -2.422 1.00 0.00 H new ATOM 1922 N THR B 127 -2.170 10.922 -3.149 1.00 0.00 N ATOM 1923 CA THR B 127 -2.798 9.656 -3.555 1.00 0.00 C ATOM 1924 C THR B 127 -1.806 8.492 -3.486 1.00 0.00 C ATOM 1925 O THR B 127 -2.161 7.432 -2.979 1.00 0.00 O ATOM 1926 CB THR B 127 -3.424 9.797 -4.948 1.00 0.00 C ATOM 1927 OG1 THR B 127 -4.347 10.867 -4.921 1.00 0.00 O ATOM 1928 CG2 THR B 127 -4.200 8.545 -5.357 1.00 0.00 C ATOM 0 H THR B 127 -2.125 11.608 -3.902 1.00 0.00 H new ATOM 0 HA THR B 127 -3.598 9.425 -2.851 1.00 0.00 H new ATOM 0 HB THR B 127 -2.614 9.963 -5.658 1.00 0.00 H new ATOM 0 HG1 THR B 127 -3.867 11.716 -5.015 1.00 0.00 H new ATOM 0 HG21 THR B 127 -4.626 8.689 -6.350 1.00 0.00 H new ATOM 0 HG22 THR B 127 -3.526 7.688 -5.372 1.00 0.00 H new ATOM 0 HG23 THR B 127 -5.002 8.364 -4.641 1.00 0.00 H new ATOM 1936 N LEU B 128 -0.554 8.687 -3.913 1.00 0.00 N ATOM 1937 CA LEU B 128 0.514 7.686 -3.786 1.00 0.00 C ATOM 1938 C LEU B 128 0.890 7.438 -2.314 1.00 0.00 C ATOM 1939 O LEU B 128 0.975 6.285 -1.887 1.00 0.00 O ATOM 1940 CB LEU B 128 1.731 8.138 -4.618 1.00 0.00 C ATOM 1941 CG LEU B 128 1.510 8.132 -6.147 1.00 0.00 C ATOM 1942 CD1 LEU B 128 2.681 8.848 -6.836 1.00 0.00 C ATOM 1943 CD2 LEU B 128 1.376 6.707 -6.707 1.00 0.00 C ATOM 0 H LEU B 128 -0.249 9.551 -4.361 1.00 0.00 H new ATOM 0 HA LEU B 128 0.155 6.733 -4.173 1.00 0.00 H new ATOM 0 HB2 LEU B 128 2.010 9.146 -4.310 1.00 0.00 H new ATOM 0 HB3 LEU B 128 2.574 7.488 -4.385 1.00 0.00 H new ATOM 0 HG LEU B 128 0.575 8.654 -6.349 1.00 0.00 H new ATOM 0 HD11 LEU B 128 2.526 8.844 -7.915 1.00 0.00 H new ATOM 0 HD12 LEU B 128 2.738 9.877 -6.481 1.00 0.00 H new ATOM 0 HD13 LEU B 128 3.612 8.332 -6.602 1.00 0.00 H new ATOM 0 HD21 LEU B 128 1.222 6.753 -7.785 1.00 0.00 H new ATOM 0 HD22 LEU B 128 2.285 6.145 -6.494 1.00 0.00 H new ATOM 0 HD23 LEU B 128 0.525 6.211 -6.240 1.00 0.00 H new ATOM 1955 N LYS B 129 1.037 8.496 -1.505 1.00 0.00 N ATOM 1956 CA LYS B 129 1.267 8.396 -0.053 1.00 0.00 C ATOM 1957 C LYS B 129 0.157 7.633 0.694 1.00 0.00 C ATOM 1958 O LYS B 129 0.411 7.076 1.765 1.00 0.00 O ATOM 1959 CB LYS B 129 1.436 9.805 0.550 1.00 0.00 C ATOM 1960 CG LYS B 129 2.847 10.373 0.347 1.00 0.00 C ATOM 1961 CD LYS B 129 3.012 11.723 1.062 1.00 0.00 C ATOM 1962 CE LYS B 129 4.490 12.131 1.060 1.00 0.00 C ATOM 1963 NZ LYS B 129 4.743 13.341 1.879 1.00 0.00 N ATOM 0 H LYS B 129 0.999 9.458 -1.842 1.00 0.00 H new ATOM 0 HA LYS B 129 2.181 7.817 0.077 1.00 0.00 H new ATOM 0 HB2 LYS B 129 0.709 10.479 0.096 1.00 0.00 H new ATOM 0 HB3 LYS B 129 1.214 9.768 1.617 1.00 0.00 H new ATOM 0 HG2 LYS B 129 3.584 9.665 0.726 1.00 0.00 H new ATOM 0 HG3 LYS B 129 3.042 10.497 -0.718 1.00 0.00 H new ATOM 0 HD2 LYS B 129 2.414 12.485 0.563 1.00 0.00 H new ATOM 0 HD3 LYS B 129 2.646 11.650 2.086 1.00 0.00 H new ATOM 0 HE2 LYS B 129 5.092 11.306 1.440 1.00 0.00 H new ATOM 0 HE3 LYS B 129 4.812 12.315 0.035 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 5.755 13.577 1.846 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 4.190 14.137 1.502 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 4.462 13.159 2.864 1.00 0.00 H new ATOM 1977 N LYS B 130 -1.059 7.535 0.137 1.00 0.00 N ATOM 1978 CA LYS B 130 -2.188 6.827 0.762 1.00 0.00 C ATOM 1979 C LYS B 130 -1.882 5.339 1.039 1.00 0.00 C ATOM 1980 O LYS B 130 -2.356 4.804 2.046 1.00 0.00 O ATOM 1981 CB LYS B 130 -3.441 7.018 -0.115 1.00 0.00 C ATOM 1982 CG LYS B 130 -4.727 6.952 0.720 1.00 0.00 C ATOM 1983 CD LYS B 130 -5.998 7.140 -0.125 1.00 0.00 C ATOM 1984 CE LYS B 130 -6.450 5.853 -0.831 1.00 0.00 C ATOM 1985 NZ LYS B 130 -7.110 4.907 0.102 1.00 0.00 N ATOM 0 H LYS B 130 -1.289 7.948 -0.767 1.00 0.00 H new ATOM 0 HA LYS B 130 -2.372 7.260 1.745 1.00 0.00 H new ATOM 0 HB2 LYS B 130 -3.386 7.980 -0.625 1.00 0.00 H new ATOM 0 HB3 LYS B 130 -3.467 6.249 -0.887 1.00 0.00 H new ATOM 0 HG2 LYS B 130 -4.774 5.990 1.230 1.00 0.00 H new ATOM 0 HG3 LYS B 130 -4.693 7.721 1.492 1.00 0.00 H new ATOM 0 HD2 LYS B 130 -6.804 7.497 0.516 1.00 0.00 H new ATOM 0 HD3 LYS B 130 -5.819 7.913 -0.872 1.00 0.00 H new ATOM 0 HE2 LYS B 130 -7.138 6.105 -1.638 1.00 0.00 H new ATOM 0 HE3 LYS B 130 -5.587 5.368 -1.288 1.00 0.00 H new ATOM 0 HZ1 LYS B 130 -7.383 4.046 -0.413 1.00 0.00 H new ATOM 0 HZ2 LYS B 130 -6.452 4.658 0.868 1.00 0.00 H new ATOM 0 HZ3 LYS B 130 -7.958 5.353 0.506 1.00 0.00 H new ATOM 1999 N THR B 131 -1.013 4.729 0.213 1.00 0.00 N ATOM 2000 CA THR B 131 -0.486 3.353 0.339 1.00 0.00 C ATOM 2001 C THR B 131 0.258 3.074 1.640 1.00 0.00 C ATOM 2002 O THR B 131 0.238 1.936 2.101 1.00 0.00 O ATOM 2003 CB THR B 131 0.457 3.015 -0.825 1.00 0.00 C ATOM 2004 OG1 THR B 131 1.573 3.880 -0.805 1.00 0.00 O ATOM 2005 CG2 THR B 131 -0.222 3.107 -2.190 1.00 0.00 C ATOM 0 H THR B 131 -0.637 5.207 -0.606 1.00 0.00 H new ATOM 0 HA THR B 131 -1.376 2.724 0.327 1.00 0.00 H new ATOM 0 HB THR B 131 0.768 1.980 -0.684 1.00 0.00 H new ATOM 0 HG1 THR B 131 1.303 4.770 -1.115 1.00 0.00 H new ATOM 0 HG21 THR B 131 0.496 2.857 -2.971 1.00 0.00 H new ATOM 0 HG22 THR B 131 -1.058 2.409 -2.228 1.00 0.00 H new ATOM 0 HG23 THR B 131 -0.589 4.121 -2.346 1.00 0.00 H new ATOM 2013 N GLY B 132 0.909 4.090 2.216 1.00 0.00 N ATOM 2014 CA GLY B 132 1.779 3.990 3.393 1.00 0.00 C ATOM 2015 C GLY B 132 3.252 3.710 3.074 1.00 0.00 C ATOM 2016 O GLY B 132 4.021 3.475 4.002 1.00 0.00 O ATOM 0 H GLY B 132 0.842 5.044 1.860 1.00 0.00 H new ATOM 0 HA2 GLY B 132 1.713 4.920 3.958 1.00 0.00 H new ATOM 0 HA3 GLY B 132 1.404 3.197 4.040 1.00 0.00 H new ATOM 2020 N LYS B 133 3.677 3.787 1.804 1.00 0.00 N ATOM 2021 CA LYS B 133 5.092 3.668 1.397 1.00 0.00 C ATOM 2022 C LYS B 133 5.820 5.015 1.299 1.00 0.00 C ATOM 2023 O LYS B 133 5.188 6.074 1.286 1.00 0.00 O ATOM 2024 CB LYS B 133 5.218 2.829 0.110 1.00 0.00 C ATOM 2025 CG LYS B 133 4.720 1.389 0.327 1.00 0.00 C ATOM 2026 CD LYS B 133 5.083 0.433 -0.820 1.00 0.00 C ATOM 2027 CE LYS B 133 6.580 0.095 -0.938 1.00 0.00 C ATOM 2028 NZ LYS B 133 7.112 -0.600 0.259 1.00 0.00 N ATOM 0 H LYS B 133 3.043 3.935 1.019 1.00 0.00 H new ATOM 0 HA LYS B 133 5.607 3.136 2.197 1.00 0.00 H new ATOM 0 HB2 LYS B 133 4.644 3.298 -0.689 1.00 0.00 H new ATOM 0 HB3 LYS B 133 6.259 2.811 -0.214 1.00 0.00 H new ATOM 0 HG2 LYS B 133 5.140 1.004 1.256 1.00 0.00 H new ATOM 0 HG3 LYS B 133 3.637 1.402 0.449 1.00 0.00 H new ATOM 0 HD2 LYS B 133 4.526 -0.495 -0.689 1.00 0.00 H new ATOM 0 HD3 LYS B 133 4.751 0.875 -1.760 1.00 0.00 H new ATOM 0 HE2 LYS B 133 6.737 -0.532 -1.816 1.00 0.00 H new ATOM 0 HE3 LYS B 133 7.143 1.014 -1.098 1.00 0.00 H new ATOM 0 HZ1 LYS B 133 8.139 -0.726 0.159 1.00 0.00 H new ATOM 0 HZ2 LYS B 133 6.914 -0.032 1.107 1.00 0.00 H new ATOM 0 HZ3 LYS B 133 6.656 -1.530 0.351 1.00 0.00 H new ATOM 2042 N THR B 134 7.159 4.965 1.247 1.00 0.00 N ATOM 2043 CA THR B 134 8.042 6.137 1.139 1.00 0.00 C ATOM 2044 C THR B 134 8.055 6.625 -0.304 1.00 0.00 C ATOM 2045 O THR B 134 8.658 5.989 -1.167 1.00 0.00 O ATOM 2046 CB THR B 134 9.452 5.789 1.623 1.00 0.00 C ATOM 2047 OG1 THR B 134 9.350 5.254 2.921 1.00 0.00 O ATOM 2048 CG2 THR B 134 10.356 7.018 1.707 1.00 0.00 C ATOM 0 H THR B 134 7.672 4.084 1.280 1.00 0.00 H new ATOM 0 HA THR B 134 7.666 6.939 1.775 1.00 0.00 H new ATOM 0 HB THR B 134 9.885 5.087 0.911 1.00 0.00 H new ATOM 0 HG1 THR B 134 10.243 5.022 3.250 1.00 0.00 H new ATOM 0 HG21 THR B 134 11.345 6.719 2.055 1.00 0.00 H new ATOM 0 HG22 THR B 134 10.441 7.475 0.721 1.00 0.00 H new ATOM 0 HG23 THR B 134 9.928 7.738 2.405 1.00 0.00 H new ATOM 2056 N VAL B 135 7.373 7.739 -0.556 1.00 0.00 N ATOM 2057 CA VAL B 135 7.230 8.388 -1.874 1.00 0.00 C ATOM 2058 C VAL B 135 7.970 9.735 -1.898 1.00 0.00 C ATOM 2059 O VAL B 135 7.905 10.499 -0.933 1.00 0.00 O ATOM 2060 CB VAL B 135 5.738 8.618 -2.236 1.00 0.00 C ATOM 2061 CG1 VAL B 135 5.564 9.177 -3.663 1.00 0.00 C ATOM 2062 CG2 VAL B 135 4.905 7.328 -2.129 1.00 0.00 C ATOM 0 H VAL B 135 6.879 8.244 0.180 1.00 0.00 H new ATOM 0 HA VAL B 135 7.669 7.717 -2.613 1.00 0.00 H new ATOM 0 HB VAL B 135 5.379 9.347 -1.509 1.00 0.00 H new ATOM 0 HG11 VAL B 135 4.504 9.321 -3.870 1.00 0.00 H new ATOM 0 HG12 VAL B 135 6.083 10.132 -3.746 1.00 0.00 H new ATOM 0 HG13 VAL B 135 5.982 8.473 -4.383 1.00 0.00 H new ATOM 0 HG21 VAL B 135 3.869 7.541 -2.392 1.00 0.00 H new ATOM 0 HG22 VAL B 135 5.306 6.578 -2.811 1.00 0.00 H new ATOM 0 HG23 VAL B 135 4.950 6.950 -1.108 1.00 0.00 H new ATOM 2072 N SER B 136 8.615 10.052 -3.023 1.00 0.00 N ATOM 2073 CA SER B 136 9.108 11.405 -3.347 1.00 0.00 C ATOM 2074 C SER B 136 8.742 11.807 -4.788 1.00 0.00 C ATOM 2075 O SER B 136 8.711 10.966 -5.689 1.00 0.00 O ATOM 2076 CB SER B 136 10.635 11.501 -3.178 1.00 0.00 C ATOM 2077 OG SER B 136 11.041 11.411 -1.819 1.00 0.00 O ATOM 0 H SER B 136 8.816 9.367 -3.752 1.00 0.00 H new ATOM 0 HA SER B 136 8.624 12.088 -2.649 1.00 0.00 H new ATOM 0 HB2 SER B 136 11.111 10.704 -3.749 1.00 0.00 H new ATOM 0 HB3 SER B 136 10.985 12.445 -3.596 1.00 0.00 H new ATOM 0 HG SER B 136 12.017 11.475 -1.764 1.00 0.00 H new ATOM 2083 N TYR B 137 8.504 13.099 -5.036 1.00 0.00 N ATOM 2084 CA TYR B 137 8.352 13.667 -6.386 1.00 0.00 C ATOM 2085 C TYR B 137 9.722 13.907 -7.043 1.00 0.00 C ATOM 2086 O TYR B 137 10.558 14.622 -6.477 1.00 0.00 O ATOM 2087 CB TYR B 137 7.559 14.977 -6.287 1.00 0.00 C ATOM 2088 CG TYR B 137 7.506 15.805 -7.561 1.00 0.00 C ATOM 2089 CD1 TYR B 137 6.900 15.292 -8.724 1.00 0.00 C ATOM 2090 CD2 TYR B 137 8.030 17.114 -7.573 1.00 0.00 C ATOM 2091 CE1 TYR B 137 6.761 16.098 -9.869 1.00 0.00 C ATOM 2092 CE2 TYR B 137 7.875 17.932 -8.710 1.00 0.00 C ATOM 2093 CZ TYR B 137 7.216 17.434 -9.855 1.00 0.00 C ATOM 2094 OH TYR B 137 6.999 18.242 -10.929 1.00 0.00 O ATOM 0 H TYR B 137 8.409 13.793 -4.295 1.00 0.00 H new ATOM 0 HA TYR B 137 7.811 12.959 -7.014 1.00 0.00 H new ATOM 0 HB2 TYR B 137 6.539 14.742 -5.984 1.00 0.00 H new ATOM 0 HB3 TYR B 137 7.995 15.587 -5.495 1.00 0.00 H new ATOM 0 HD1 TYR B 137 6.540 14.274 -8.737 1.00 0.00 H new ATOM 0 HD2 TYR B 137 8.553 17.492 -6.707 1.00 0.00 H new ATOM 0 HE1 TYR B 137 6.305 15.693 -10.761 1.00 0.00 H new ATOM 0 HE2 TYR B 137 8.261 18.941 -8.705 1.00 0.00 H new ATOM 0 HH TYR B 137 7.376 19.129 -10.752 1.00 0.00 H new ATOM 2104 N LEU B 138 9.942 13.348 -8.238 1.00 0.00 N ATOM 2105 CA LEU B 138 11.190 13.437 -9.012 1.00 0.00 C ATOM 2106 C LEU B 138 10.949 14.197 -10.337 1.00 0.00 C ATOM 2107 O LEU B 138 11.397 13.792 -11.416 1.00 0.00 O ATOM 2108 CB LEU B 138 11.736 11.998 -9.217 1.00 0.00 C ATOM 2109 CG LEU B 138 12.632 11.410 -8.107 1.00 0.00 C ATOM 2110 CD1 LEU B 138 13.983 12.133 -8.036 1.00 0.00 C ATOM 2111 CD2 LEU B 138 11.991 11.385 -6.715 1.00 0.00 C ATOM 0 H LEU B 138 9.227 12.798 -8.714 1.00 0.00 H new ATOM 0 HA LEU B 138 11.946 14.011 -8.476 1.00 0.00 H new ATOM 0 HB2 LEU B 138 10.884 11.331 -9.350 1.00 0.00 H new ATOM 0 HB3 LEU B 138 12.301 11.983 -10.149 1.00 0.00 H new ATOM 0 HG LEU B 138 12.779 10.370 -8.399 1.00 0.00 H new ATOM 0 HD11 LEU B 138 14.589 11.694 -7.244 1.00 0.00 H new ATOM 0 HD12 LEU B 138 14.501 12.030 -8.989 1.00 0.00 H new ATOM 0 HD13 LEU B 138 13.819 13.190 -7.824 1.00 0.00 H new ATOM 0 HD21 LEU B 138 12.692 10.956 -5.999 1.00 0.00 H new ATOM 0 HD22 LEU B 138 11.739 12.401 -6.412 1.00 0.00 H new ATOM 0 HD23 LEU B 138 11.085 10.780 -6.743 1.00 0.00 H new ATOM 2123 N GLY B 139 10.340 15.379 -10.214 1.00 0.00 N ATOM 2124 CA GLY B 139 10.343 16.446 -11.213 1.00 0.00 C ATOM 2125 C GLY B 139 9.444 16.256 -12.441 1.00 0.00 C ATOM 2126 O GLY B 139 8.544 15.410 -12.503 1.00 0.00 O ATOM 0 H GLY B 139 9.809 15.627 -9.379 1.00 0.00 H new ATOM 0 HA2 GLY B 139 10.050 17.372 -10.719 1.00 0.00 H new ATOM 0 HA3 GLY B 139 11.367 16.581 -11.561 1.00 0.00 H new ATOM 2130 N LEU B 140 9.698 17.127 -13.418 1.00 0.00 N ATOM 2131 CA LEU B 140 8.856 17.403 -14.580 1.00 0.00 C ATOM 2132 C LEU B 140 9.662 17.198 -15.871 1.00 0.00 C ATOM 2133 O LEU B 140 10.798 17.667 -15.984 1.00 0.00 O ATOM 2134 CB LEU B 140 8.373 18.861 -14.421 1.00 0.00 C ATOM 2135 CG LEU B 140 7.318 19.341 -15.434 1.00 0.00 C ATOM 2136 CD1 LEU B 140 5.968 18.637 -15.245 1.00 0.00 C ATOM 2137 CD2 LEU B 140 7.109 20.851 -15.266 1.00 0.00 C ATOM 0 H LEU B 140 10.548 17.692 -13.418 1.00 0.00 H new ATOM 0 HA LEU B 140 8.002 16.729 -14.642 1.00 0.00 H new ATOM 0 HB2 LEU B 140 7.963 18.979 -13.418 1.00 0.00 H new ATOM 0 HB3 LEU B 140 9.239 19.519 -14.491 1.00 0.00 H new ATOM 0 HG LEU B 140 7.688 19.102 -16.431 1.00 0.00 H new ATOM 0 HD11 LEU B 140 5.257 19.009 -15.983 1.00 0.00 H new ATOM 0 HD12 LEU B 140 6.097 17.562 -15.375 1.00 0.00 H new ATOM 0 HD13 LEU B 140 5.590 18.838 -14.243 1.00 0.00 H new ATOM 0 HD21 LEU B 140 6.363 21.197 -15.981 1.00 0.00 H new ATOM 0 HD22 LEU B 140 6.765 21.060 -14.253 1.00 0.00 H new ATOM 0 HD23 LEU B 140 8.050 21.371 -15.444 1.00 0.00 H new ATOM 2149 N GLU B 141 9.081 16.512 -16.857 1.00 0.00 N ATOM 2150 CA GLU B 141 9.695 16.299 -18.185 1.00 0.00 C ATOM 2151 C GLU B 141 9.802 17.601 -18.984 1.00 0.00 C ATOM 2152 O GLU B 141 8.824 18.384 -18.999 1.00 0.00 O ATOM 2153 CB GLU B 141 8.894 15.238 -18.963 1.00 0.00 C ATOM 2154 CG GLU B 141 8.933 13.834 -18.332 1.00 0.00 C ATOM 2155 CD GLU B 141 10.211 13.057 -18.686 1.00 0.00 C ATOM 2156 OE1 GLU B 141 11.275 13.262 -18.055 1.00 0.00 O ATOM 2157 OE2 GLU B 141 10.162 12.166 -19.571 1.00 0.00 O ATOM 2158 OXT GLU B 141 10.863 17.843 -19.604 1.00 0.00 O ATOM 0 H GLU B 141 8.161 16.081 -16.763 1.00 0.00 H new ATOM 0 HA GLU B 141 10.713 15.940 -18.034 1.00 0.00 H new ATOM 0 HB2 GLU B 141 7.856 15.563 -19.036 1.00 0.00 H new ATOM 0 HB3 GLU B 141 9.282 15.179 -19.980 1.00 0.00 H new ATOM 0 HG2 GLU B 141 8.857 13.925 -17.248 1.00 0.00 H new ATOM 0 HG3 GLU B 141 8.064 13.267 -18.665 1.00 0.00 H new TER 2165 GLU B 141 HETATM 2166 CU CU A 142 5.989 -5.448 -3.535 1.00 0.00 CU