USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1072 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 MET CE :methyl -170:sc= 0 (180deg=-0.0531) USER MOD Set 1.2: A 88 GLN : amide:sc= 0.443 K(o=0.44,f=-7.8!) USER MOD Single : A 1 SER N :NH3+ -147:sc= 0.0428 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0361 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -1.71! C(o=-1.7!,f=-5.6!) USER MOD Single : A 9 SER OG : rot 112:sc= 1.22 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 11 ASN : amide:sc= -0.345 X(o=-0.35,f=-0.46) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl -140:sc= -0.174 (180deg=-0.818) USER MOD Single : A 18 GLN : amide:sc= -0.536 K(o=-0.54,f=-1.2) USER MOD Single : A 20 LYS NZ :NH3+ -175:sc= 2.32 (180deg=2.28) USER MOD Single : A 24 SER OG : rot -41:sc= 0.727 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0241 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.665 K(o=-0.66,f=-10!) USER MOD Single : A 38 LYS NZ :NH3+ -166:sc=-0.00378 (180deg=-0.196) USER MOD Single : A 41 TYR OH : rot -173:sc= 0.38 USER MOD Single : A 43 MET CE :methyl -123:sc= -1.55 (180deg=-4.57!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.0469 X(o=0.047,f=-0.16) USER MOD Single : A 57 THR OG1 : rot -140:sc= -1.25 USER MOD Single : A 58 LYS NZ :NH3+ -135:sc= -0.577 (180deg=-1.45!) USER MOD Single : A 67 ASN :FLIP amide:sc= -1.14 F(o=-3.8!,f=-1.1) USER MOD Single : A 69 HIS : no HD1:sc= -0.677 K(o=-0.68,f=-2) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.098 X(o=-0.098,f=-0.36!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 173:sc= 0.902 (180deg=0.813) USER MOD Single : A 80 HIS :FLIP no HD1:sc= -0.167 F(o=-2!,f=-0.17) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -138:sc= -2.77! (180deg=-6.48!) USER MOD Single : A 89 GLN :FLIP amide:sc= -0.937 F(o=-2.4!,f=-0.94) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 158:sc= -0.0936 (180deg=-0.486) USER MOD Single : A 100 SER OG : rot -47:sc= 0.334 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 144:sc= 1.24 (180deg=1.07) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl -123:sc= -1.37 (180deg=-4.67!) USER MOD Single : A 119 LYS NZ :NH3+ -168:sc= -0.0507 (180deg=-0.238) USER MOD Single : A 120 LYS NZ :NH3+ -131:sc= 1.32 (180deg=0.4) USER MOD Single : A 123 HIS : no HD1:sc= 0.0801 K(o=0.08,f=-1.1) USER MOD Single : A 124 LYS NZ :NH3+ 171:sc= -0.0104 (180deg=-0.12) USER MOD Single : A 126 ASN :FLIP amide:sc= -0.0275 F(o=-1.8!,f=-0.028) USER MOD Single : A 130 ASN : amide:sc= -0.0435 K(o=-0.043,f=-0.68) USER MOD Single : A 131 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -6.700 -15.636 -1.596 1.00 0.00 N ATOM 2 CA SER A 1 -7.692 -15.510 -0.514 1.00 0.00 C ATOM 3 C SER A 1 -8.211 -14.082 -0.432 1.00 0.00 C ATOM 4 O SER A 1 -7.432 -13.129 -0.507 1.00 0.00 O ATOM 5 CB SER A 1 -7.068 -15.926 0.817 1.00 0.00 C ATOM 6 OG SER A 1 -5.844 -15.248 1.050 1.00 0.00 O ATOM 0 H1 SER A 1 -6.764 -16.585 -2.017 1.00 0.00 H new ATOM 0 H2 SER A 1 -6.890 -14.920 -2.326 1.00 0.00 H new ATOM 0 H3 SER A 1 -5.745 -15.492 -1.210 1.00 0.00 H new ATOM 0 HA SER A 1 -8.533 -16.169 -0.730 1.00 0.00 H new ATOM 0 HB2 SER A 1 -7.764 -15.713 1.629 1.00 0.00 H new ATOM 0 HB3 SER A 1 -6.895 -17.002 0.819 1.00 0.00 H new ATOM 0 HG SER A 1 -5.470 -15.534 1.910 1.00 0.00 H new ATOM 14 N PRO A 2 -9.537 -13.914 -0.285 1.00 0.00 N ATOM 15 CA PRO A 2 -10.166 -12.591 -0.183 1.00 0.00 C ATOM 16 C PRO A 2 -9.621 -11.764 0.982 1.00 0.00 C ATOM 17 O PRO A 2 -9.736 -10.540 0.987 1.00 0.00 O ATOM 18 CB PRO A 2 -11.654 -12.903 0.026 1.00 0.00 C ATOM 19 CG PRO A 2 -11.712 -14.342 0.414 1.00 0.00 C ATOM 20 CD PRO A 2 -10.527 -14.998 -0.230 1.00 0.00 C ATOM 0 HA PRO A 2 -9.968 -11.988 -1.069 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -12.082 -12.270 0.803 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -12.225 -12.719 -0.884 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -11.678 -14.454 1.498 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -12.642 -14.799 0.075 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -10.167 -15.844 0.355 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.766 -15.377 -1.224 1.00 0.00 H new ATOM 28 N GLU A 3 -9.036 -12.446 1.965 1.00 0.00 N ATOM 29 CA GLU A 3 -8.371 -11.779 3.088 1.00 0.00 C ATOM 30 C GLU A 3 -7.324 -10.780 2.594 1.00 0.00 C ATOM 31 O GLU A 3 -7.518 -9.571 2.712 1.00 0.00 O ATOM 32 CB GLU A 3 -7.697 -12.789 4.029 1.00 0.00 C ATOM 33 CG GLU A 3 -8.654 -13.759 4.707 1.00 0.00 C ATOM 34 CD GLU A 3 -9.117 -14.862 3.782 1.00 0.00 C ATOM 35 OE1 GLU A 3 -8.398 -15.867 3.642 1.00 0.00 O ATOM 36 OE2 GLU A 3 -10.193 -14.719 3.172 1.00 0.00 O ATOM 0 H GLU A 3 -9.008 -13.465 2.008 1.00 0.00 H new ATOM 0 HA GLU A 3 -9.146 -11.247 3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.963 -13.361 3.461 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.151 -12.242 4.797 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.164 -14.200 5.575 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.521 -13.211 5.075 1.00 0.00 H new ATOM 43 N ILE A 4 -6.224 -11.281 2.025 1.00 0.00 N ATOM 44 CA ILE A 4 -5.173 -10.411 1.524 1.00 0.00 C ATOM 45 C ILE A 4 -5.603 -9.727 0.222 1.00 0.00 C ATOM 46 O ILE A 4 -4.970 -8.775 -0.238 1.00 0.00 O ATOM 47 CB ILE A 4 -3.849 -11.188 1.300 1.00 0.00 C ATOM 48 CG1 ILE A 4 -2.669 -10.217 1.190 1.00 0.00 C ATOM 49 CG2 ILE A 4 -3.930 -12.067 0.056 1.00 0.00 C ATOM 50 CD1 ILE A 4 -2.418 -9.421 2.454 1.00 0.00 C ATOM 0 H ILE A 4 -6.045 -12.278 1.903 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.997 -9.648 2.283 1.00 0.00 H new ATOM 0 HB ILE A 4 -3.691 -11.836 2.162 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.769 -10.779 0.940 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.853 -9.527 0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.988 -12.599 -0.075 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.740 -12.787 0.171 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.120 -11.444 -0.818 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.568 -8.755 2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.303 -8.831 2.694 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.202 -10.103 3.277 1.00 0.00 H new ATOM 62 N MET A 5 -6.684 -10.227 -0.363 1.00 0.00 N ATOM 63 CA MET A 5 -7.219 -9.681 -1.599 1.00 0.00 C ATOM 64 C MET A 5 -7.878 -8.335 -1.333 1.00 0.00 C ATOM 65 O MET A 5 -7.910 -7.457 -2.196 1.00 0.00 O ATOM 66 CB MET A 5 -8.236 -10.658 -2.182 1.00 0.00 C ATOM 67 CG MET A 5 -8.612 -10.375 -3.627 1.00 0.00 C ATOM 68 SD MET A 5 -9.812 -11.556 -4.272 1.00 0.00 S ATOM 69 CE MET A 5 -10.086 -10.891 -5.913 1.00 0.00 C ATOM 0 H MET A 5 -7.211 -11.019 0.006 1.00 0.00 H new ATOM 0 HA MET A 5 -6.408 -9.535 -2.312 1.00 0.00 H new ATOM 0 HB2 MET A 5 -7.833 -11.668 -2.114 1.00 0.00 H new ATOM 0 HB3 MET A 5 -9.139 -10.633 -1.572 1.00 0.00 H new ATOM 0 HG2 MET A 5 -9.022 -9.368 -3.702 1.00 0.00 H new ATOM 0 HG3 MET A 5 -7.714 -10.400 -4.244 1.00 0.00 H new ATOM 0 HE1 MET A 5 -10.808 -11.513 -6.442 1.00 0.00 H new ATOM 0 HE2 MET A 5 -10.472 -9.875 -5.834 1.00 0.00 H new ATOM 0 HE3 MET A 5 -9.145 -10.880 -6.463 1.00 0.00 H new ATOM 79 N LYS A 6 -8.402 -8.188 -0.125 1.00 0.00 N ATOM 80 CA LYS A 6 -9.036 -6.954 0.296 1.00 0.00 C ATOM 81 C LYS A 6 -7.987 -5.942 0.743 1.00 0.00 C ATOM 82 O LYS A 6 -7.507 -5.991 1.875 1.00 0.00 O ATOM 83 CB LYS A 6 -10.007 -7.230 1.446 1.00 0.00 C ATOM 84 CG LYS A 6 -10.696 -5.985 1.983 1.00 0.00 C ATOM 85 CD LYS A 6 -11.116 -6.171 3.431 1.00 0.00 C ATOM 86 CE LYS A 6 -12.123 -7.298 3.594 1.00 0.00 C ATOM 87 NZ LYS A 6 -12.305 -7.667 5.022 1.00 0.00 N ATOM 0 H LYS A 6 -8.398 -8.919 0.586 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.586 -6.542 -0.550 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.766 -7.935 1.107 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.464 -7.712 2.259 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.023 -5.131 1.904 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.571 -5.759 1.374 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.236 -6.381 4.039 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.548 -5.243 3.805 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.081 -6.995 3.171 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.788 -8.170 3.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.998 -8.439 5.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.396 -7.980 5.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.648 -6.841 5.553 1.00 0.00 H new ATOM 101 N ASN A 7 -7.611 -5.045 -0.154 1.00 0.00 N ATOM 102 CA ASN A 7 -6.700 -3.963 0.199 1.00 0.00 C ATOM 103 C ASN A 7 -7.390 -3.028 1.186 1.00 0.00 C ATOM 104 O ASN A 7 -8.510 -2.585 0.934 1.00 0.00 O ATOM 105 CB ASN A 7 -6.273 -3.186 -1.050 1.00 0.00 C ATOM 106 CG ASN A 7 -5.272 -2.088 -0.733 1.00 0.00 C ATOM 107 OD1 ASN A 7 -5.650 -0.977 -0.361 1.00 0.00 O ATOM 108 ND2 ASN A 7 -3.991 -2.383 -0.901 1.00 0.00 N ATOM 0 H ASN A 7 -7.919 -5.042 -1.126 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.806 -4.386 0.658 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.836 -3.876 -1.772 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.153 -2.747 -1.521 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.277 -1.677 -0.721 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.719 -3.316 -1.211 1.00 0.00 H new ATOM 115 N LEU A 8 -6.731 -2.743 2.305 1.00 0.00 N ATOM 116 CA LEU A 8 -7.326 -1.918 3.354 1.00 0.00 C ATOM 117 C LEU A 8 -7.800 -0.567 2.827 1.00 0.00 C ATOM 118 O LEU A 8 -8.914 -0.144 3.122 1.00 0.00 O ATOM 119 CB LEU A 8 -6.348 -1.717 4.516 1.00 0.00 C ATOM 120 CG LEU A 8 -6.214 -2.913 5.464 1.00 0.00 C ATOM 121 CD1 LEU A 8 -5.293 -2.575 6.627 1.00 0.00 C ATOM 122 CD2 LEU A 8 -7.581 -3.344 5.978 1.00 0.00 C ATOM 0 H LEU A 8 -5.787 -3.070 2.510 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.201 -2.457 3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.365 -1.485 4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.667 -0.849 5.093 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.776 -3.742 4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.211 -3.437 7.289 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.306 -2.315 6.246 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.702 -1.730 7.181 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.466 -4.195 6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.045 -2.517 6.516 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.213 -3.629 5.137 1.00 0.00 H new ATOM 134 N SER A 9 -6.973 0.095 2.031 1.00 0.00 N ATOM 135 CA SER A 9 -7.319 1.408 1.502 1.00 0.00 C ATOM 136 C SER A 9 -8.508 1.314 0.539 1.00 0.00 C ATOM 137 O SER A 9 -9.359 2.207 0.507 1.00 0.00 O ATOM 138 CB SER A 9 -6.107 2.033 0.812 1.00 0.00 C ATOM 139 OG SER A 9 -5.021 2.158 1.720 1.00 0.00 O ATOM 0 H SER A 9 -6.060 -0.253 1.737 1.00 0.00 H new ATOM 0 HA SER A 9 -7.614 2.049 2.332 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.809 1.418 -0.037 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.373 3.014 0.418 1.00 0.00 H new ATOM 0 HG SER A 9 -4.304 1.543 1.459 1.00 0.00 H new ATOM 145 N ASN A 10 -8.571 0.219 -0.218 1.00 0.00 N ATOM 146 CA ASN A 10 -9.683 -0.023 -1.139 1.00 0.00 C ATOM 147 C ASN A 10 -10.960 -0.335 -0.364 1.00 0.00 C ATOM 148 O ASN A 10 -12.056 0.079 -0.748 1.00 0.00 O ATOM 149 CB ASN A 10 -9.354 -1.186 -2.084 1.00 0.00 C ATOM 150 CG ASN A 10 -10.515 -1.554 -2.993 1.00 0.00 C ATOM 151 OD1 ASN A 10 -11.369 -2.362 -2.630 1.00 0.00 O ATOM 152 ND2 ASN A 10 -10.544 -0.983 -4.187 1.00 0.00 N ATOM 0 H ASN A 10 -7.864 -0.516 -0.212 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.838 0.880 -1.729 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.491 -0.919 -2.694 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -9.070 -2.058 -1.494 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -11.293 -1.208 -4.842 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.818 -0.318 -4.452 1.00 0.00 H new ATOM 159 N ASN A 11 -10.802 -1.052 0.741 1.00 0.00 N ATOM 160 CA ASN A 11 -11.928 -1.407 1.596 1.00 0.00 C ATOM 161 C ASN A 11 -12.493 -0.158 2.253 1.00 0.00 C ATOM 162 O ASN A 11 -13.688 0.122 2.155 1.00 0.00 O ATOM 163 CB ASN A 11 -11.486 -2.404 2.673 1.00 0.00 C ATOM 164 CG ASN A 11 -12.595 -2.753 3.652 1.00 0.00 C ATOM 165 OD1 ASN A 11 -13.771 -2.822 3.291 1.00 0.00 O ATOM 166 ND2 ASN A 11 -12.227 -2.959 4.907 1.00 0.00 N ATOM 0 H ASN A 11 -9.901 -1.401 1.068 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.700 -1.871 0.982 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.133 -3.316 2.192 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.642 -1.986 3.222 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.927 -3.184 5.614 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.243 -2.893 5.167 1.00 0.00 H new ATOM 173 N PHE A 12 -11.623 0.568 2.941 1.00 0.00 N ATOM 174 CA PHE A 12 -11.975 1.866 3.518 1.00 0.00 C ATOM 175 C PHE A 12 -12.640 2.813 2.507 1.00 0.00 C ATOM 176 O PHE A 12 -13.861 2.968 2.531 1.00 0.00 O ATOM 177 CB PHE A 12 -10.745 2.532 4.137 1.00 0.00 C ATOM 178 CG PHE A 12 -10.449 2.051 5.530 1.00 0.00 C ATOM 179 CD1 PHE A 12 -9.735 0.884 5.745 1.00 0.00 C ATOM 180 CD2 PHE A 12 -10.894 2.768 6.627 1.00 0.00 C ATOM 181 CE1 PHE A 12 -9.470 0.441 7.026 1.00 0.00 C ATOM 182 CE2 PHE A 12 -10.632 2.332 7.910 1.00 0.00 C ATOM 183 CZ PHE A 12 -9.920 1.167 8.111 1.00 0.00 C ATOM 0 H PHE A 12 -10.660 0.281 3.116 1.00 0.00 H new ATOM 0 HA PHE A 12 -12.711 1.668 4.297 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -9.879 2.342 3.502 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -10.896 3.611 4.157 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -9.381 0.313 4.900 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -11.453 3.680 6.477 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.912 -0.471 7.179 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.984 2.903 8.757 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.715 0.824 9.114 1.00 0.00 H new ATOM 193 N GLY A 13 -11.856 3.436 1.613 1.00 0.00 N ATOM 194 CA GLY A 13 -12.406 4.443 0.715 1.00 0.00 C ATOM 195 C GLY A 13 -13.147 5.560 1.446 1.00 0.00 C ATOM 196 O GLY A 13 -14.146 6.072 0.950 1.00 0.00 O ATOM 0 H GLY A 13 -10.858 3.259 1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.597 4.877 0.127 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -13.088 3.962 0.014 1.00 0.00 H new ATOM 200 N LYS A 14 -12.654 5.940 2.625 1.00 0.00 N ATOM 201 CA LYS A 14 -13.309 6.944 3.449 1.00 0.00 C ATOM 202 C LYS A 14 -12.871 8.342 3.022 1.00 0.00 C ATOM 203 O LYS A 14 -13.668 9.278 3.007 1.00 0.00 O ATOM 204 CB LYS A 14 -12.973 6.693 4.926 1.00 0.00 C ATOM 205 CG LYS A 14 -14.043 7.158 5.907 1.00 0.00 C ATOM 206 CD LYS A 14 -14.127 8.675 5.995 1.00 0.00 C ATOM 207 CE LYS A 14 -15.245 9.116 6.924 1.00 0.00 C ATOM 208 NZ LYS A 14 -15.337 10.594 7.016 1.00 0.00 N ATOM 0 H LYS A 14 -11.797 5.562 3.029 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.389 6.873 3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.805 5.626 5.071 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.037 7.198 5.163 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.011 6.760 5.601 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.829 6.750 6.895 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.177 9.073 6.352 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.293 9.090 5.001 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.193 8.715 6.567 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.077 8.700 7.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.112 10.854 7.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.441 10.976 7.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.523 10.990 6.072 1.00 0.00 H new ATOM 222 N ALA A 15 -11.605 8.472 2.649 1.00 0.00 N ATOM 223 CA ALA A 15 -11.045 9.766 2.301 1.00 0.00 C ATOM 224 C ALA A 15 -10.069 9.640 1.140 1.00 0.00 C ATOM 225 O ALA A 15 -8.870 9.433 1.332 1.00 0.00 O ATOM 226 CB ALA A 15 -10.360 10.393 3.506 1.00 0.00 C ATOM 0 H ALA A 15 -10.948 7.695 2.580 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.862 10.416 1.990 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.946 11.362 3.226 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.086 10.526 4.308 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.556 9.741 3.848 1.00 0.00 H new ATOM 232 N MET A 16 -10.609 9.740 -0.066 1.00 0.00 N ATOM 233 CA MET A 16 -9.821 9.644 -1.285 1.00 0.00 C ATOM 234 C MET A 16 -9.176 10.990 -1.598 1.00 0.00 C ATOM 235 O MET A 16 -7.985 11.072 -1.895 1.00 0.00 O ATOM 236 CB MET A 16 -10.709 9.205 -2.453 1.00 0.00 C ATOM 237 CG MET A 16 -11.384 7.861 -2.227 1.00 0.00 C ATOM 238 SD MET A 16 -12.497 7.398 -3.568 1.00 0.00 S ATOM 239 CE MET A 16 -13.695 8.728 -3.487 1.00 0.00 C ATOM 0 H MET A 16 -11.605 9.890 -0.226 1.00 0.00 H new ATOM 0 HA MET A 16 -9.037 8.901 -1.139 1.00 0.00 H new ATOM 0 HB2 MET A 16 -11.474 9.963 -2.623 1.00 0.00 H new ATOM 0 HB3 MET A 16 -10.105 9.152 -3.359 1.00 0.00 H new ATOM 0 HG2 MET A 16 -10.620 7.091 -2.114 1.00 0.00 H new ATOM 0 HG3 MET A 16 -11.944 7.894 -1.292 1.00 0.00 H new ATOM 0 HE1 MET A 16 -14.695 8.327 -3.650 1.00 0.00 H new ATOM 0 HE2 MET A 16 -13.649 9.200 -2.506 1.00 0.00 H new ATOM 0 HE3 MET A 16 -13.471 9.467 -4.256 1.00 0.00 H new ATOM 249 N ASP A 17 -9.983 12.039 -1.489 1.00 0.00 N ATOM 250 CA ASP A 17 -9.573 13.402 -1.840 1.00 0.00 C ATOM 251 C ASP A 17 -8.389 13.878 -1.006 1.00 0.00 C ATOM 252 O ASP A 17 -7.403 14.416 -1.532 1.00 0.00 O ATOM 253 CB ASP A 17 -10.762 14.350 -1.651 1.00 0.00 C ATOM 254 CG ASP A 17 -10.406 15.808 -1.866 1.00 0.00 C ATOM 255 OD1 ASP A 17 -10.425 16.268 -3.028 1.00 0.00 O ATOM 256 OD2 ASP A 17 -10.137 16.510 -0.869 1.00 0.00 O ATOM 0 H ASP A 17 -10.944 11.973 -1.154 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.254 13.401 -2.882 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.555 14.070 -2.345 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.161 14.225 -0.644 1.00 0.00 H new ATOM 261 N GLN A 18 -8.447 13.626 0.287 1.00 0.00 N ATOM 262 CA GLN A 18 -7.460 14.203 1.182 1.00 0.00 C ATOM 263 C GLN A 18 -6.231 13.324 1.285 1.00 0.00 C ATOM 264 O GLN A 18 -5.160 13.798 1.637 1.00 0.00 O ATOM 265 CB GLN A 18 -8.053 14.496 2.562 1.00 0.00 C ATOM 266 CG GLN A 18 -8.438 15.963 2.745 1.00 0.00 C ATOM 267 CD GLN A 18 -7.254 16.895 2.579 1.00 0.00 C ATOM 268 OE1 GLN A 18 -6.957 17.351 1.475 1.00 0.00 O ATOM 269 NE2 GLN A 18 -6.573 17.195 3.673 1.00 0.00 N ATOM 0 H GLN A 18 -9.150 13.039 0.735 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.150 15.156 0.754 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.935 13.873 2.713 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -7.330 14.217 3.329 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.209 16.227 2.021 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.870 16.102 3.736 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.849 16.797 4.571 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.772 17.824 3.619 1.00 0.00 H new ATOM 278 N CYS A 19 -6.364 12.050 0.955 1.00 0.00 N ATOM 279 CA CYS A 19 -5.190 11.203 0.837 1.00 0.00 C ATOM 280 C CYS A 19 -4.469 11.526 -0.470 1.00 0.00 C ATOM 281 O CYS A 19 -3.241 11.466 -0.544 1.00 0.00 O ATOM 282 CB CYS A 19 -5.558 9.716 0.904 1.00 0.00 C ATOM 283 SG CYS A 19 -4.150 8.584 0.657 1.00 0.00 S ATOM 0 H CYS A 19 -7.253 11.587 0.768 1.00 0.00 H new ATOM 0 HA CYS A 19 -4.527 11.405 1.678 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -6.010 9.509 1.874 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -6.315 9.506 0.148 1.00 0.00 H new ATOM 288 N LYS A 20 -5.247 11.915 -1.485 1.00 0.00 N ATOM 289 CA LYS A 20 -4.702 12.285 -2.784 1.00 0.00 C ATOM 290 C LYS A 20 -3.704 13.428 -2.638 1.00 0.00 C ATOM 291 O LYS A 20 -2.546 13.316 -3.045 1.00 0.00 O ATOM 292 CB LYS A 20 -5.834 12.693 -3.736 1.00 0.00 C ATOM 293 CG LYS A 20 -5.372 13.275 -5.071 1.00 0.00 C ATOM 294 CD LYS A 20 -4.429 12.340 -5.814 1.00 0.00 C ATOM 295 CE LYS A 20 -4.274 12.741 -7.276 1.00 0.00 C ATOM 296 NZ LYS A 20 -3.581 14.047 -7.444 1.00 0.00 N ATOM 0 H LYS A 20 -6.263 11.980 -1.425 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.183 11.421 -3.200 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.456 11.820 -3.933 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.464 13.427 -3.234 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.242 13.481 -5.695 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.872 14.228 -4.896 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.453 12.347 -5.329 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.807 11.319 -5.755 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.715 11.968 -7.803 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.259 12.795 -7.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.578 14.311 -8.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.079 14.777 -6.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.601 13.966 -7.104 1.00 0.00 H new ATOM 310 N ASP A 21 -4.154 14.517 -2.034 1.00 0.00 N ATOM 311 CA ASP A 21 -3.304 15.697 -1.878 1.00 0.00 C ATOM 312 C ASP A 21 -2.229 15.495 -0.805 1.00 0.00 C ATOM 313 O ASP A 21 -1.082 15.910 -0.980 1.00 0.00 O ATOM 314 CB ASP A 21 -4.150 16.925 -1.541 1.00 0.00 C ATOM 315 CG ASP A 21 -3.310 18.178 -1.394 1.00 0.00 C ATOM 316 OD1 ASP A 21 -2.809 18.687 -2.415 1.00 0.00 O ATOM 317 OD2 ASP A 21 -3.145 18.661 -0.254 1.00 0.00 O ATOM 0 H ASP A 21 -5.092 14.613 -1.646 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.798 15.855 -2.830 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.893 17.078 -2.324 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.695 16.745 -0.615 1.00 0.00 H new ATOM 322 N GLU A 22 -2.594 14.842 0.293 1.00 0.00 N ATOM 323 CA GLU A 22 -1.706 14.731 1.449 1.00 0.00 C ATOM 324 C GLU A 22 -0.508 13.811 1.178 1.00 0.00 C ATOM 325 O GLU A 22 0.580 14.039 1.707 1.00 0.00 O ATOM 326 CB GLU A 22 -2.488 14.239 2.664 1.00 0.00 C ATOM 327 CG GLU A 22 -1.868 14.619 3.995 1.00 0.00 C ATOM 328 CD GLU A 22 -2.660 14.080 5.162 1.00 0.00 C ATOM 329 OE1 GLU A 22 -3.599 14.760 5.624 1.00 0.00 O ATOM 330 OE2 GLU A 22 -2.369 12.958 5.614 1.00 0.00 O ATOM 0 H GLU A 22 -3.497 14.382 0.409 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.307 15.725 1.650 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.500 14.642 2.619 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.574 13.154 2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.848 14.238 4.042 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.806 15.705 4.069 1.00 0.00 H new ATOM 337 N LEU A 23 -0.697 12.775 0.356 1.00 0.00 N ATOM 338 CA LEU A 23 0.395 11.860 0.022 1.00 0.00 C ATOM 339 C LEU A 23 1.223 12.430 -1.113 1.00 0.00 C ATOM 340 O LEU A 23 2.206 11.826 -1.548 1.00 0.00 O ATOM 341 CB LEU A 23 -0.161 10.487 -0.375 1.00 0.00 C ATOM 342 CG LEU A 23 -0.372 9.498 0.774 1.00 0.00 C ATOM 343 CD1 LEU A 23 0.910 8.730 1.065 1.00 0.00 C ATOM 344 CD2 LEU A 23 -0.840 10.229 2.015 1.00 0.00 C ATOM 0 H LEU A 23 -1.588 12.551 -0.087 1.00 0.00 H new ATOM 0 HA LEU A 23 1.029 11.741 0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.114 10.635 -0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.518 10.036 -1.098 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.140 8.784 0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.738 8.033 1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.213 8.177 0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.698 9.430 1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.986 9.514 2.825 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.090 10.963 2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.781 10.737 1.805 1.00 0.00 H new ATOM 356 N SER A 24 0.800 13.595 -1.586 1.00 0.00 N ATOM 357 CA SER A 24 1.437 14.271 -2.702 1.00 0.00 C ATOM 358 C SER A 24 1.292 13.411 -3.946 1.00 0.00 C ATOM 359 O SER A 24 2.110 13.476 -4.866 1.00 0.00 O ATOM 360 CB SER A 24 2.917 14.548 -2.388 1.00 0.00 C ATOM 361 OG SER A 24 3.549 15.270 -3.434 1.00 0.00 O ATOM 0 H SER A 24 0.000 14.098 -1.202 1.00 0.00 H new ATOM 0 HA SER A 24 0.954 15.232 -2.876 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.992 15.113 -1.459 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.439 13.604 -2.231 1.00 0.00 H new ATOM 0 HG SER A 24 3.249 14.922 -4.300 1.00 0.00 H new ATOM 367 N LEU A 25 0.214 12.632 -3.986 1.00 0.00 N ATOM 368 CA LEU A 25 0.049 11.654 -5.044 1.00 0.00 C ATOM 369 C LEU A 25 -0.231 12.365 -6.351 1.00 0.00 C ATOM 370 O LEU A 25 -1.129 13.205 -6.426 1.00 0.00 O ATOM 371 CB LEU A 25 -1.098 10.689 -4.756 1.00 0.00 C ATOM 372 CG LEU A 25 -0.960 9.776 -3.526 1.00 0.00 C ATOM 373 CD1 LEU A 25 -2.326 9.302 -3.076 1.00 0.00 C ATOM 374 CD2 LEU A 25 -0.080 8.588 -3.842 1.00 0.00 C ATOM 0 H LEU A 25 -0.546 12.661 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 25 0.973 11.079 -5.106 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.010 11.274 -4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.234 10.056 -5.633 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.497 10.347 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.218 8.656 -2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.942 10.163 -2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.802 8.746 -3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.006 7.954 -2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.520 8.016 -4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.910 8.937 -4.136 1.00 0.00 H new ATOM 386 N PRO A 26 0.521 12.045 -7.396 1.00 0.00 N ATOM 387 CA PRO A 26 0.243 12.554 -8.717 1.00 0.00 C ATOM 388 C PRO A 26 -0.877 11.743 -9.327 1.00 0.00 C ATOM 389 O PRO A 26 -1.056 10.571 -8.968 1.00 0.00 O ATOM 390 CB PRO A 26 1.554 12.354 -9.468 1.00 0.00 C ATOM 391 CG PRO A 26 2.228 11.211 -8.784 1.00 0.00 C ATOM 392 CD PRO A 26 1.661 11.119 -7.387 1.00 0.00 C ATOM 0 HA PRO A 26 -0.075 13.596 -8.737 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.375 12.133 -10.520 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.170 13.253 -9.432 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.056 10.283 -9.329 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.306 11.366 -8.751 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.346 10.102 -7.152 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.400 11.405 -6.638 1.00 0.00 H new ATOM 400 N ASP A 27 -1.642 12.346 -10.216 1.00 0.00 N ATOM 401 CA ASP A 27 -2.786 11.664 -10.797 1.00 0.00 C ATOM 402 C ASP A 27 -2.359 10.373 -11.477 1.00 0.00 C ATOM 403 O ASP A 27 -3.090 9.390 -11.464 1.00 0.00 O ATOM 404 CB ASP A 27 -3.521 12.565 -11.785 1.00 0.00 C ATOM 405 CG ASP A 27 -4.362 13.622 -11.098 1.00 0.00 C ATOM 406 OD1 ASP A 27 -3.830 14.362 -10.243 1.00 0.00 O ATOM 407 OD2 ASP A 27 -5.562 13.729 -11.421 1.00 0.00 O ATOM 0 H ASP A 27 -1.496 13.298 -10.551 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.471 11.418 -9.985 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.795 13.051 -12.437 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.161 11.954 -12.421 1.00 0.00 H new ATOM 412 N SER A 28 -1.147 10.369 -12.016 1.00 0.00 N ATOM 413 CA SER A 28 -0.606 9.206 -12.698 1.00 0.00 C ATOM 414 C SER A 28 -0.409 8.030 -11.739 1.00 0.00 C ATOM 415 O SER A 28 -0.902 6.930 -11.984 1.00 0.00 O ATOM 416 CB SER A 28 0.720 9.587 -13.352 1.00 0.00 C ATOM 417 OG SER A 28 1.536 10.313 -12.445 1.00 0.00 O ATOM 0 H SER A 28 -0.515 11.169 -11.992 1.00 0.00 H new ATOM 0 HA SER A 28 -1.318 8.885 -13.459 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.242 8.688 -13.679 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.533 10.188 -14.242 1.00 0.00 H new ATOM 0 HG SER A 28 2.382 10.547 -12.881 1.00 0.00 H new ATOM 423 N VAL A 29 0.295 8.273 -10.639 1.00 0.00 N ATOM 424 CA VAL A 29 0.625 7.216 -9.694 1.00 0.00 C ATOM 425 C VAL A 29 -0.605 6.715 -8.942 1.00 0.00 C ATOM 426 O VAL A 29 -0.840 5.511 -8.881 1.00 0.00 O ATOM 427 CB VAL A 29 1.689 7.679 -8.688 1.00 0.00 C ATOM 428 CG1 VAL A 29 1.967 6.591 -7.671 1.00 0.00 C ATOM 429 CG2 VAL A 29 2.969 8.065 -9.411 1.00 0.00 C ATOM 0 H VAL A 29 0.648 9.194 -10.381 1.00 0.00 H new ATOM 0 HA VAL A 29 1.026 6.391 -10.282 1.00 0.00 H new ATOM 0 HB VAL A 29 1.308 8.555 -8.162 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.723 6.936 -6.966 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.050 6.354 -7.132 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.328 5.699 -8.182 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.713 8.391 -8.684 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.351 7.204 -9.960 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.762 8.877 -10.108 1.00 0.00 H new ATOM 439 N VAL A 30 -1.386 7.630 -8.377 1.00 0.00 N ATOM 440 CA VAL A 30 -2.566 7.239 -7.612 1.00 0.00 C ATOM 441 C VAL A 30 -3.564 6.479 -8.498 1.00 0.00 C ATOM 442 O VAL A 30 -4.246 5.566 -8.035 1.00 0.00 O ATOM 443 CB VAL A 30 -3.236 8.453 -6.925 1.00 0.00 C ATOM 444 CG1 VAL A 30 -3.952 9.337 -7.921 1.00 0.00 C ATOM 445 CG2 VAL A 30 -4.193 7.990 -5.839 1.00 0.00 C ATOM 0 H VAL A 30 -1.227 8.636 -8.433 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.235 6.567 -6.820 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.446 9.048 -6.467 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.409 10.178 -7.399 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.238 9.711 -8.655 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.726 8.761 -8.428 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.655 8.857 -5.367 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.967 7.362 -6.280 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.645 7.418 -5.090 1.00 0.00 H new ATOM 455 N ALA A 31 -3.618 6.839 -9.780 1.00 0.00 N ATOM 456 CA ALA A 31 -4.482 6.158 -10.740 1.00 0.00 C ATOM 457 C ALA A 31 -3.939 4.786 -11.086 1.00 0.00 C ATOM 458 O ALA A 31 -4.675 3.802 -11.108 1.00 0.00 O ATOM 459 CB ALA A 31 -4.577 6.959 -12.012 1.00 0.00 C ATOM 0 H ALA A 31 -3.070 7.602 -10.178 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.465 6.055 -10.280 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.224 6.441 -12.720 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.993 7.942 -11.793 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.583 7.074 -12.445 1.00 0.00 H new ATOM 465 N ASP A 32 -2.641 4.741 -11.366 1.00 0.00 N ATOM 466 CA ASP A 32 -1.979 3.506 -11.755 1.00 0.00 C ATOM 467 C ASP A 32 -2.076 2.509 -10.617 1.00 0.00 C ATOM 468 O ASP A 32 -2.307 1.313 -10.826 1.00 0.00 O ATOM 469 CB ASP A 32 -0.511 3.791 -12.097 1.00 0.00 C ATOM 470 CG ASP A 32 0.244 2.571 -12.578 1.00 0.00 C ATOM 471 OD1 ASP A 32 0.007 2.139 -13.728 1.00 0.00 O ATOM 472 OD2 ASP A 32 1.099 2.064 -11.828 1.00 0.00 O ATOM 0 H ASP A 32 -2.025 5.553 -11.330 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.464 3.088 -12.637 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.468 4.562 -12.867 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.012 4.193 -11.215 1.00 0.00 H new ATOM 477 N LEU A 33 -1.947 3.028 -9.402 1.00 0.00 N ATOM 478 CA LEU A 33 -2.195 2.244 -8.208 1.00 0.00 C ATOM 479 C LEU A 33 -3.596 1.640 -8.236 1.00 0.00 C ATOM 480 O LEU A 33 -3.764 0.425 -8.132 1.00 0.00 O ATOM 481 CB LEU A 33 -2.071 3.137 -6.980 1.00 0.00 C ATOM 482 CG LEU A 33 -2.115 2.409 -5.648 1.00 0.00 C ATOM 483 CD1 LEU A 33 -0.824 1.643 -5.456 1.00 0.00 C ATOM 484 CD2 LEU A 33 -2.353 3.390 -4.515 1.00 0.00 C ATOM 0 H LEU A 33 -1.671 3.993 -9.222 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.462 1.439 -8.169 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.133 3.689 -7.044 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.875 3.872 -7.002 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.944 1.701 -5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.851 1.119 -4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.706 0.920 -6.264 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.016 2.338 -5.465 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.382 2.852 -3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.546 4.122 -4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.303 3.902 -4.670 1.00 0.00 H new ATOM 496 N TYR A 34 -4.591 2.509 -8.368 1.00 0.00 N ATOM 497 CA TYR A 34 -5.994 2.091 -8.412 1.00 0.00 C ATOM 498 C TYR A 34 -6.415 1.303 -9.674 1.00 0.00 C ATOM 499 O TYR A 34 -7.621 1.128 -9.876 1.00 0.00 O ATOM 500 CB TYR A 34 -6.910 3.304 -8.234 1.00 0.00 C ATOM 501 CG TYR A 34 -6.841 3.914 -6.849 1.00 0.00 C ATOM 502 CD1 TYR A 34 -6.543 3.130 -5.740 1.00 0.00 C ATOM 503 CD2 TYR A 34 -7.074 5.269 -6.650 1.00 0.00 C ATOM 504 CE1 TYR A 34 -6.476 3.678 -4.475 1.00 0.00 C ATOM 505 CE2 TYR A 34 -7.009 5.825 -5.386 1.00 0.00 C ATOM 506 CZ TYR A 34 -6.710 5.025 -4.304 1.00 0.00 C ATOM 507 OH TYR A 34 -6.641 5.575 -3.045 1.00 0.00 O ATOM 0 H TYR A 34 -4.454 3.517 -8.447 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.102 1.389 -7.585 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.643 4.062 -8.970 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.938 3.007 -8.441 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.361 2.074 -5.871 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.310 5.898 -7.496 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.242 3.055 -3.625 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.191 6.880 -5.247 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.831 6.535 -3.097 1.00 0.00 H new ATOM 517 N ASN A 35 -5.477 0.837 -10.531 1.00 0.00 N ATOM 518 CA ASN A 35 -5.863 0.142 -11.763 1.00 0.00 C ATOM 519 C ASN A 35 -6.836 -0.991 -11.447 1.00 0.00 C ATOM 520 O ASN A 35 -6.550 -1.858 -10.620 1.00 0.00 O ATOM 521 CB ASN A 35 -4.629 -0.423 -12.480 1.00 0.00 C ATOM 522 CG ASN A 35 -4.928 -0.908 -13.894 1.00 0.00 C ATOM 523 OD1 ASN A 35 -6.050 -1.296 -14.221 1.00 0.00 O ATOM 524 ND2 ASN A 35 -3.916 -0.896 -14.747 1.00 0.00 N ATOM 0 H ASN A 35 -4.471 0.930 -10.390 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.350 0.863 -12.420 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.857 0.345 -12.522 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.224 -1.250 -11.897 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.054 -1.214 -15.706 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.998 -0.569 -14.445 1.00 0.00 H new ATOM 531 N PHE A 36 -7.985 -0.969 -12.111 1.00 0.00 N ATOM 532 CA PHE A 36 -9.055 -1.922 -11.843 1.00 0.00 C ATOM 533 C PHE A 36 -8.665 -3.314 -12.319 1.00 0.00 C ATOM 534 O PHE A 36 -9.027 -4.318 -11.707 1.00 0.00 O ATOM 535 CB PHE A 36 -10.342 -1.461 -12.537 1.00 0.00 C ATOM 536 CG PHE A 36 -11.526 -2.356 -12.301 1.00 0.00 C ATOM 537 CD1 PHE A 36 -12.179 -2.353 -11.079 1.00 0.00 C ATOM 538 CD2 PHE A 36 -11.986 -3.201 -13.300 1.00 0.00 C ATOM 539 CE1 PHE A 36 -13.269 -3.175 -10.858 1.00 0.00 C ATOM 540 CE2 PHE A 36 -13.073 -4.023 -13.085 1.00 0.00 C ATOM 541 CZ PHE A 36 -13.715 -4.012 -11.862 1.00 0.00 C ATOM 0 H PHE A 36 -8.201 -0.295 -12.846 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.226 -1.967 -10.767 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.587 -0.456 -12.193 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -10.159 -1.395 -13.610 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -11.833 -1.701 -10.290 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -11.487 -3.216 -14.258 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -13.771 -3.162 -9.902 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -13.422 -4.675 -13.872 1.00 0.00 H new ATOM 0 HZ PHE A 36 -14.564 -4.657 -11.691 1.00 0.00 H new ATOM 551 N TRP A 37 -7.909 -3.364 -13.400 1.00 0.00 N ATOM 552 CA TRP A 37 -7.454 -4.623 -13.956 1.00 0.00 C ATOM 553 C TRP A 37 -6.114 -4.996 -13.342 1.00 0.00 C ATOM 554 O TRP A 37 -5.282 -4.121 -13.087 1.00 0.00 O ATOM 555 CB TRP A 37 -7.325 -4.513 -15.477 1.00 0.00 C ATOM 556 CG TRP A 37 -8.601 -4.117 -16.154 1.00 0.00 C ATOM 557 CD1 TRP A 37 -9.540 -4.952 -16.685 1.00 0.00 C ATOM 558 CD2 TRP A 37 -9.082 -2.783 -16.368 1.00 0.00 C ATOM 559 NE1 TRP A 37 -10.573 -4.222 -17.218 1.00 0.00 N ATOM 560 CE2 TRP A 37 -10.317 -2.889 -17.035 1.00 0.00 C ATOM 561 CE3 TRP A 37 -8.592 -1.511 -16.060 1.00 0.00 C ATOM 562 CZ2 TRP A 37 -11.064 -1.773 -17.399 1.00 0.00 C ATOM 563 CZ3 TRP A 37 -9.334 -0.404 -16.421 1.00 0.00 C ATOM 564 CH2 TRP A 37 -10.559 -0.542 -17.084 1.00 0.00 C ATOM 0 H TRP A 37 -7.596 -2.540 -13.913 1.00 0.00 H new ATOM 0 HA TRP A 37 -8.183 -5.400 -13.725 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -6.553 -3.782 -15.717 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -6.992 -5.471 -15.876 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -9.479 -6.030 -16.686 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -11.398 -4.610 -17.676 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -7.648 -1.396 -15.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -12.009 -1.875 -17.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -8.964 0.583 -16.188 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -11.117 0.343 -17.352 1.00 0.00 H new ATOM 575 N LYS A 38 -5.898 -6.281 -13.096 1.00 0.00 N ATOM 576 CA LYS A 38 -4.637 -6.720 -12.520 1.00 0.00 C ATOM 577 C LYS A 38 -3.526 -6.708 -13.567 1.00 0.00 C ATOM 578 O LYS A 38 -3.194 -7.731 -14.160 1.00 0.00 O ATOM 579 CB LYS A 38 -4.755 -8.096 -11.845 1.00 0.00 C ATOM 580 CG LYS A 38 -5.314 -9.209 -12.721 1.00 0.00 C ATOM 581 CD LYS A 38 -5.187 -10.557 -12.026 1.00 0.00 C ATOM 582 CE LYS A 38 -5.856 -11.669 -12.816 1.00 0.00 C ATOM 583 NZ LYS A 38 -7.328 -11.483 -12.898 1.00 0.00 N ATOM 0 H LYS A 38 -6.569 -7.026 -13.283 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.374 -6.008 -11.738 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.767 -8.395 -11.494 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.390 -7.996 -10.965 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.361 -9.009 -12.948 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.781 -9.233 -13.671 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.133 -10.795 -11.886 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.634 -10.497 -11.034 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.438 -11.702 -13.822 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.637 -12.629 -12.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.771 -12.363 -13.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.700 -11.241 -11.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.544 -10.714 -13.564 1.00 0.00 H new ATOM 597 N ASP A 39 -3.020 -5.509 -13.835 1.00 0.00 N ATOM 598 CA ASP A 39 -1.854 -5.319 -14.710 1.00 0.00 C ATOM 599 C ASP A 39 -0.735 -6.351 -14.447 1.00 0.00 C ATOM 600 O ASP A 39 -0.204 -6.925 -15.399 1.00 0.00 O ATOM 601 CB ASP A 39 -1.301 -3.900 -14.532 1.00 0.00 C ATOM 602 CG ASP A 39 -0.456 -3.437 -15.709 1.00 0.00 C ATOM 603 OD1 ASP A 39 0.708 -3.873 -15.829 1.00 0.00 O ATOM 604 OD2 ASP A 39 -0.954 -2.617 -16.512 1.00 0.00 O ATOM 0 H ASP A 39 -3.400 -4.641 -13.457 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.193 -5.468 -15.735 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.131 -3.208 -14.394 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.700 -3.862 -13.624 1.00 0.00 H new ATOM 609 N ASP A 40 -0.379 -6.583 -13.165 1.00 0.00 N ATOM 610 CA ASP A 40 0.672 -7.536 -12.795 1.00 0.00 C ATOM 611 C ASP A 40 2.030 -6.998 -13.201 1.00 0.00 C ATOM 612 O ASP A 40 2.958 -7.746 -13.517 1.00 0.00 O ATOM 613 CB ASP A 40 0.424 -8.930 -13.389 1.00 0.00 C ATOM 614 CG ASP A 40 -0.776 -9.609 -12.763 1.00 0.00 C ATOM 615 OD1 ASP A 40 -0.972 -9.460 -11.536 1.00 0.00 O ATOM 616 OD2 ASP A 40 -1.523 -10.294 -13.492 1.00 0.00 O ATOM 0 H ASP A 40 -0.812 -6.116 -12.369 1.00 0.00 H new ATOM 0 HA ASP A 40 0.651 -7.652 -11.711 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.271 -8.844 -14.465 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.309 -9.549 -13.242 1.00 0.00 H new ATOM 621 N TYR A 41 2.133 -5.680 -13.148 1.00 0.00 N ATOM 622 CA TYR A 41 3.377 -4.977 -13.407 1.00 0.00 C ATOM 623 C TYR A 41 4.310 -5.068 -12.208 1.00 0.00 C ATOM 624 O TYR A 41 3.947 -5.608 -11.160 1.00 0.00 O ATOM 625 CB TYR A 41 3.094 -3.499 -13.723 1.00 0.00 C ATOM 626 CG TYR A 41 2.174 -2.784 -12.733 1.00 0.00 C ATOM 627 CD1 TYR A 41 2.102 -3.161 -11.394 1.00 0.00 C ATOM 628 CD2 TYR A 41 1.376 -1.727 -13.148 1.00 0.00 C ATOM 629 CE1 TYR A 41 1.267 -2.510 -10.506 1.00 0.00 C ATOM 630 CE2 TYR A 41 0.538 -1.068 -12.264 1.00 0.00 C ATOM 631 CZ TYR A 41 0.489 -1.464 -10.944 1.00 0.00 C ATOM 632 OH TYR A 41 -0.346 -0.818 -10.056 1.00 0.00 O ATOM 0 H TYR A 41 1.351 -5.065 -12.923 1.00 0.00 H new ATOM 0 HA TYR A 41 3.859 -5.447 -14.264 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.043 -2.965 -13.763 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.651 -3.435 -14.717 1.00 0.00 H new ATOM 0 HD1 TYR A 41 2.712 -3.980 -11.042 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.409 -1.412 -14.181 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.226 -2.821 -9.473 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.075 -0.247 -12.607 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.905 -0.175 -10.541 1.00 0.00 H new ATOM 642 N VAL A 42 5.508 -4.539 -12.363 1.00 0.00 N ATOM 643 CA VAL A 42 6.402 -4.371 -11.242 1.00 0.00 C ATOM 644 C VAL A 42 6.159 -2.994 -10.653 1.00 0.00 C ATOM 645 O VAL A 42 6.145 -2.004 -11.386 1.00 0.00 O ATOM 646 CB VAL A 42 7.880 -4.507 -11.668 1.00 0.00 C ATOM 647 CG1 VAL A 42 8.801 -4.456 -10.457 1.00 0.00 C ATOM 648 CG2 VAL A 42 8.092 -5.792 -12.453 1.00 0.00 C ATOM 0 H VAL A 42 5.882 -4.219 -13.256 1.00 0.00 H new ATOM 0 HA VAL A 42 6.205 -5.150 -10.506 1.00 0.00 H new ATOM 0 HB VAL A 42 8.128 -3.665 -12.314 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.836 -4.554 -10.783 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.671 -3.505 -9.941 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.556 -5.273 -9.779 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.139 -5.871 -12.745 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.823 -6.646 -11.832 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.466 -5.781 -13.345 1.00 0.00 H new ATOM 658 N MET A 43 5.914 -2.927 -9.352 1.00 0.00 N ATOM 659 CA MET A 43 5.653 -1.651 -8.706 1.00 0.00 C ATOM 660 C MET A 43 6.923 -0.817 -8.682 1.00 0.00 C ATOM 661 O MET A 43 7.765 -0.964 -7.797 1.00 0.00 O ATOM 662 CB MET A 43 5.110 -1.855 -7.293 1.00 0.00 C ATOM 663 CG MET A 43 4.810 -0.556 -6.562 1.00 0.00 C ATOM 664 SD MET A 43 3.926 -0.828 -5.014 1.00 0.00 S ATOM 665 CE MET A 43 2.371 -1.478 -5.624 1.00 0.00 C ATOM 0 H MET A 43 5.891 -3.734 -8.729 1.00 0.00 H new ATOM 0 HA MET A 43 4.893 -1.118 -9.278 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.199 -2.451 -7.346 1.00 0.00 H new ATOM 0 HB3 MET A 43 5.834 -2.429 -6.714 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.744 -0.033 -6.357 1.00 0.00 H new ATOM 0 HG3 MET A 43 4.217 0.092 -7.207 1.00 0.00 H new ATOM 0 HE1 MET A 43 1.551 -0.857 -5.264 1.00 0.00 H new ATOM 0 HE2 MET A 43 2.377 -1.474 -6.714 1.00 0.00 H new ATOM 0 HE3 MET A 43 2.238 -2.499 -5.266 1.00 0.00 H new ATOM 675 N THR A 44 7.059 0.034 -9.684 1.00 0.00 N ATOM 676 CA THR A 44 8.262 0.814 -9.867 1.00 0.00 C ATOM 677 C THR A 44 8.222 2.087 -9.036 1.00 0.00 C ATOM 678 O THR A 44 9.240 2.512 -8.497 1.00 0.00 O ATOM 679 CB THR A 44 8.470 1.159 -11.356 1.00 0.00 C ATOM 680 OG1 THR A 44 7.305 1.816 -11.878 1.00 0.00 O ATOM 681 CG2 THR A 44 8.739 -0.102 -12.166 1.00 0.00 C ATOM 0 H THR A 44 6.340 0.201 -10.388 1.00 0.00 H new ATOM 0 HA THR A 44 9.103 0.209 -9.528 1.00 0.00 H new ATOM 0 HB THR A 44 9.331 1.823 -11.434 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.447 2.032 -12.823 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.883 0.162 -13.214 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.636 -0.592 -11.789 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.890 -0.780 -12.076 1.00 0.00 H new ATOM 689 N ASP A 45 7.041 2.682 -8.913 1.00 0.00 N ATOM 690 CA ASP A 45 6.904 3.924 -8.167 1.00 0.00 C ATOM 691 C ASP A 45 6.677 3.640 -6.696 1.00 0.00 C ATOM 692 O ASP A 45 5.683 3.026 -6.299 1.00 0.00 O ATOM 693 CB ASP A 45 5.764 4.773 -8.718 1.00 0.00 C ATOM 694 CG ASP A 45 5.952 6.232 -8.373 1.00 0.00 C ATOM 695 OD1 ASP A 45 5.922 6.572 -7.175 1.00 0.00 O ATOM 696 OD2 ASP A 45 6.165 7.046 -9.298 1.00 0.00 O ATOM 0 H ASP A 45 6.174 2.328 -9.316 1.00 0.00 H new ATOM 0 HA ASP A 45 7.833 4.483 -8.279 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.711 4.657 -9.800 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.816 4.420 -8.313 1.00 0.00 H new ATOM 701 N ARG A 46 7.632 4.093 -5.908 1.00 0.00 N ATOM 702 CA ARG A 46 7.578 4.015 -4.448 1.00 0.00 C ATOM 703 C ARG A 46 6.293 4.621 -3.880 1.00 0.00 C ATOM 704 O ARG A 46 5.726 4.100 -2.921 1.00 0.00 O ATOM 705 CB ARG A 46 8.784 4.741 -3.836 1.00 0.00 C ATOM 706 CG ARG A 46 8.776 6.259 -4.020 1.00 0.00 C ATOM 707 CD ARG A 46 8.983 6.674 -5.463 1.00 0.00 C ATOM 708 NE ARG A 46 10.377 6.564 -5.880 1.00 0.00 N ATOM 709 CZ ARG A 46 11.206 7.603 -5.969 1.00 0.00 C ATOM 710 NH1 ARG A 46 10.767 8.829 -5.694 1.00 0.00 N ATOM 711 NH2 ARG A 46 12.463 7.423 -6.353 1.00 0.00 N ATOM 0 H ARG A 46 8.482 4.533 -6.261 1.00 0.00 H new ATOM 0 HA ARG A 46 7.598 2.957 -4.187 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.822 4.518 -2.770 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.696 4.340 -4.279 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.827 6.659 -3.664 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.559 6.700 -3.403 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.363 6.052 -6.109 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.648 7.703 -5.594 1.00 0.00 H new ATOM 0 HE ARG A 46 10.737 5.639 -6.117 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.796 8.973 -5.415 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.401 9.625 -5.762 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.797 6.487 -6.581 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.095 8.221 -6.420 1.00 0.00 H new ATOM 725 N LEU A 47 5.834 5.710 -4.490 1.00 0.00 N ATOM 726 CA LEU A 47 4.732 6.482 -3.984 1.00 0.00 C ATOM 727 C LEU A 47 3.414 5.700 -4.096 1.00 0.00 C ATOM 728 O LEU A 47 2.423 6.013 -3.424 1.00 0.00 O ATOM 729 CB LEU A 47 4.734 7.816 -4.747 1.00 0.00 C ATOM 730 CG LEU A 47 3.546 8.709 -4.572 1.00 0.00 C ATOM 731 CD1 LEU A 47 3.365 9.050 -3.117 1.00 0.00 C ATOM 732 CD2 LEU A 47 3.766 9.955 -5.394 1.00 0.00 C ATOM 0 H LEU A 47 6.229 6.075 -5.357 1.00 0.00 H new ATOM 0 HA LEU A 47 4.836 6.688 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.622 8.374 -4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.837 7.597 -5.810 1.00 0.00 H new ATOM 0 HG LEU A 47 2.640 8.205 -4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.498 9.700 -3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.212 8.135 -2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.254 9.562 -2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.911 10.621 -5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.668 10.462 -5.052 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.878 9.683 -6.444 1.00 0.00 H new ATOM 744 N ALA A 48 3.435 4.630 -4.886 1.00 0.00 N ATOM 745 CA ALA A 48 2.301 3.739 -4.986 1.00 0.00 C ATOM 746 C ALA A 48 2.271 2.862 -3.748 1.00 0.00 C ATOM 747 O ALA A 48 1.264 2.788 -3.047 1.00 0.00 O ATOM 748 CB ALA A 48 2.399 2.901 -6.250 1.00 0.00 C ATOM 0 H ALA A 48 4.232 4.365 -5.465 1.00 0.00 H new ATOM 0 HA ALA A 48 1.375 4.312 -5.045 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.539 2.235 -6.312 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.414 3.556 -7.121 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.315 2.310 -6.225 1.00 0.00 H new ATOM 754 N GLY A 49 3.396 2.189 -3.511 1.00 0.00 N ATOM 755 CA GLY A 49 3.650 1.543 -2.227 1.00 0.00 C ATOM 756 C GLY A 49 3.156 2.331 -1.011 1.00 0.00 C ATOM 757 O GLY A 49 2.511 1.758 -0.134 1.00 0.00 O ATOM 0 H GLY A 49 4.146 2.078 -4.193 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.173 0.563 -2.227 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.722 1.376 -2.125 1.00 0.00 H new ATOM 761 N CYS A 50 3.445 3.637 -0.942 1.00 0.00 N ATOM 762 CA CYS A 50 3.006 4.451 0.182 1.00 0.00 C ATOM 763 C CYS A 50 1.483 4.507 0.243 1.00 0.00 C ATOM 764 O CYS A 50 0.878 4.309 1.301 1.00 0.00 O ATOM 765 CB CYS A 50 3.545 5.878 0.029 1.00 0.00 C ATOM 766 SG CYS A 50 5.282 5.986 -0.522 1.00 0.00 S ATOM 0 H CYS A 50 3.978 4.143 -1.650 1.00 0.00 H new ATOM 0 HA CYS A 50 3.387 4.001 1.099 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.918 6.413 -0.684 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.449 6.392 0.986 1.00 0.00 H new ATOM 771 N ALA A 51 0.863 4.721 -0.914 1.00 0.00 N ATOM 772 CA ALA A 51 -0.582 4.873 -0.989 1.00 0.00 C ATOM 773 C ALA A 51 -1.316 3.550 -0.770 1.00 0.00 C ATOM 774 O ALA A 51 -2.536 3.540 -0.597 1.00 0.00 O ATOM 775 CB ALA A 51 -0.976 5.494 -2.317 1.00 0.00 C ATOM 0 H ALA A 51 1.342 4.793 -1.812 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.883 5.539 -0.181 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.060 5.602 -2.361 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.509 6.474 -2.413 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.642 4.852 -3.132 1.00 0.00 H new ATOM 781 N ILE A 52 -0.580 2.440 -0.781 1.00 0.00 N ATOM 782 CA ILE A 52 -1.162 1.142 -0.448 1.00 0.00 C ATOM 783 C ILE A 52 -1.748 1.183 0.960 1.00 0.00 C ATOM 784 O ILE A 52 -2.828 0.643 1.217 1.00 0.00 O ATOM 785 CB ILE A 52 -0.122 -0.004 -0.539 1.00 0.00 C ATOM 786 CG1 ILE A 52 0.360 -0.175 -1.981 1.00 0.00 C ATOM 787 CG2 ILE A 52 -0.710 -1.312 -0.021 1.00 0.00 C ATOM 788 CD1 ILE A 52 1.396 -1.267 -2.148 1.00 0.00 C ATOM 0 H ILE A 52 0.412 2.413 -1.015 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.947 0.940 -1.177 1.00 0.00 H new ATOM 0 HB ILE A 52 0.730 0.261 0.087 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.496 -0.398 -2.618 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.779 0.769 -2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.038 -2.102 -0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.007 -1.190 1.021 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.581 -1.581 -0.618 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.691 -1.331 -3.195 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.269 -1.036 -1.538 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.974 -2.221 -1.831 1.00 0.00 H new ATOM 800 N ASN A 53 -1.047 1.859 1.860 1.00 0.00 N ATOM 801 CA ASN A 53 -1.501 1.996 3.235 1.00 0.00 C ATOM 802 C ASN A 53 -1.538 3.465 3.639 1.00 0.00 C ATOM 803 O ASN A 53 -0.584 4.004 4.195 1.00 0.00 O ATOM 804 CB ASN A 53 -0.641 1.157 4.205 1.00 0.00 C ATOM 805 CG ASN A 53 0.863 1.194 3.932 1.00 0.00 C ATOM 806 OD1 ASN A 53 1.556 0.198 4.138 1.00 0.00 O ATOM 807 ND2 ASN A 53 1.386 2.335 3.503 1.00 0.00 N ATOM 0 H ASN A 53 -0.160 2.322 1.661 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.516 1.604 3.298 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -0.819 1.508 5.221 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.978 0.121 4.162 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.390 2.404 3.334 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.785 3.143 3.342 1.00 0.00 H new ATOM 814 N CYS A 54 -2.639 4.125 3.316 1.00 0.00 N ATOM 815 CA CYS A 54 -2.777 5.543 3.610 1.00 0.00 C ATOM 816 C CYS A 54 -3.908 5.808 4.602 1.00 0.00 C ATOM 817 O CYS A 54 -3.715 6.485 5.606 1.00 0.00 O ATOM 818 CB CYS A 54 -3.032 6.308 2.307 1.00 0.00 C ATOM 819 SG CYS A 54 -3.615 8.021 2.533 1.00 0.00 S ATOM 0 H CYS A 54 -3.445 3.705 2.853 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.851 5.888 4.070 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.110 6.326 1.725 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.770 5.762 1.719 1.00 0.00 H new ATOM 824 N LEU A 55 -5.074 5.224 4.355 1.00 0.00 N ATOM 825 CA LEU A 55 -6.262 5.539 5.144 1.00 0.00 C ATOM 826 C LEU A 55 -6.207 4.886 6.522 1.00 0.00 C ATOM 827 O LEU A 55 -6.385 5.546 7.551 1.00 0.00 O ATOM 828 CB LEU A 55 -7.538 5.113 4.403 1.00 0.00 C ATOM 829 CG LEU A 55 -7.927 5.979 3.194 1.00 0.00 C ATOM 830 CD1 LEU A 55 -6.962 5.782 2.033 1.00 0.00 C ATOM 831 CD2 LEU A 55 -9.346 5.663 2.757 1.00 0.00 C ATOM 0 H LEU A 55 -5.224 4.533 3.619 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.284 6.620 5.284 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.413 4.084 4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.366 5.118 5.112 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.871 7.024 3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.267 6.409 1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.955 6.059 2.346 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.972 4.736 1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.609 6.283 1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.415 4.611 2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.034 5.868 3.578 1.00 0.00 H new ATOM 843 N ALA A 56 -5.890 3.602 6.546 1.00 0.00 N ATOM 844 CA ALA A 56 -5.913 2.849 7.789 1.00 0.00 C ATOM 845 C ALA A 56 -4.637 3.101 8.571 1.00 0.00 C ATOM 846 O ALA A 56 -4.557 2.834 9.768 1.00 0.00 O ATOM 847 CB ALA A 56 -6.079 1.366 7.498 1.00 0.00 C ATOM 0 H ALA A 56 -5.616 3.062 5.725 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.760 3.179 8.391 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.095 0.811 8.436 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.015 1.203 6.964 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.246 1.020 6.886 1.00 0.00 H new ATOM 853 N THR A 57 -3.653 3.649 7.883 1.00 0.00 N ATOM 854 CA THR A 57 -2.417 4.050 8.514 1.00 0.00 C ATOM 855 C THR A 57 -2.587 5.409 9.197 1.00 0.00 C ATOM 856 O THR A 57 -2.043 5.643 10.273 1.00 0.00 O ATOM 857 CB THR A 57 -1.269 4.082 7.482 1.00 0.00 C ATOM 858 OG1 THR A 57 -1.015 2.753 7.010 1.00 0.00 O ATOM 859 CG2 THR A 57 -0.002 4.672 8.069 1.00 0.00 C ATOM 0 H THR A 57 -3.690 3.826 6.879 1.00 0.00 H new ATOM 0 HA THR A 57 -2.158 3.318 9.279 1.00 0.00 H new ATOM 0 HB THR A 57 -1.577 4.720 6.653 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.049 2.618 6.918 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.782 4.677 7.312 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.195 5.693 8.398 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.319 4.071 8.920 1.00 0.00 H new ATOM 867 N LYS A 58 -3.373 6.290 8.590 1.00 0.00 N ATOM 868 CA LYS A 58 -3.653 7.585 9.194 1.00 0.00 C ATOM 869 C LYS A 58 -4.579 7.459 10.403 1.00 0.00 C ATOM 870 O LYS A 58 -4.599 8.343 11.261 1.00 0.00 O ATOM 871 CB LYS A 58 -4.250 8.536 8.164 1.00 0.00 C ATOM 872 CG LYS A 58 -3.228 9.037 7.159 1.00 0.00 C ATOM 873 CD LYS A 58 -3.853 9.972 6.143 1.00 0.00 C ATOM 874 CE LYS A 58 -4.595 11.110 6.820 1.00 0.00 C ATOM 875 NZ LYS A 58 -4.964 12.169 5.852 1.00 0.00 N ATOM 0 H LYS A 58 -3.824 6.133 7.689 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.706 7.994 9.546 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.056 8.029 7.633 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.694 9.388 8.678 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.425 9.554 7.684 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.778 8.188 6.644 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.077 10.377 5.494 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.541 9.414 5.508 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.495 10.725 7.300 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.972 11.535 7.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.744 13.101 6.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.425 12.038 4.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.982 12.112 5.647 1.00 0.00 H new ATOM 889 N LEU A 59 -5.346 6.372 10.471 1.00 0.00 N ATOM 890 CA LEU A 59 -6.193 6.122 11.632 1.00 0.00 C ATOM 891 C LEU A 59 -5.353 5.926 12.892 1.00 0.00 C ATOM 892 O LEU A 59 -5.423 6.734 13.820 1.00 0.00 O ATOM 893 CB LEU A 59 -7.075 4.902 11.407 1.00 0.00 C ATOM 894 CG LEU A 59 -8.108 5.044 10.292 1.00 0.00 C ATOM 895 CD1 LEU A 59 -9.227 4.056 10.521 1.00 0.00 C ATOM 896 CD2 LEU A 59 -8.655 6.463 10.223 1.00 0.00 C ATOM 0 H LEU A 59 -5.397 5.659 9.744 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.829 6.997 11.769 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.436 4.048 11.182 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.596 4.674 12.337 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.625 4.833 9.338 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.967 4.154 9.727 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.824 3.043 10.519 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.698 4.257 11.483 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.388 6.532 9.419 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.131 6.716 11.171 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.838 7.159 10.030 1.00 0.00 H new ATOM 908 N ASP A 60 -4.545 4.869 12.914 1.00 0.00 N ATOM 909 CA ASP A 60 -3.709 4.561 14.073 1.00 0.00 C ATOM 910 C ASP A 60 -2.813 3.374 13.768 1.00 0.00 C ATOM 911 O ASP A 60 -3.302 2.284 13.468 1.00 0.00 O ATOM 912 CB ASP A 60 -4.560 4.250 15.307 1.00 0.00 C ATOM 913 CG ASP A 60 -3.726 4.159 16.569 1.00 0.00 C ATOM 914 OD1 ASP A 60 -3.425 5.220 17.159 1.00 0.00 O ATOM 915 OD2 ASP A 60 -3.366 3.040 16.982 1.00 0.00 O ATOM 0 H ASP A 60 -4.451 4.210 12.141 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.099 5.439 14.286 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.317 5.025 15.429 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.089 3.309 15.154 1.00 0.00 H new ATOM 920 N VAL A 61 -1.507 3.584 13.837 1.00 0.00 N ATOM 921 CA VAL A 61 -0.563 2.537 13.478 1.00 0.00 C ATOM 922 C VAL A 61 0.874 2.938 13.846 1.00 0.00 C ATOM 923 O VAL A 61 1.845 2.532 13.201 1.00 0.00 O ATOM 924 CB VAL A 61 -0.666 2.267 11.957 1.00 0.00 C ATOM 925 CG1 VAL A 61 -0.165 3.461 11.172 1.00 0.00 C ATOM 926 CG2 VAL A 61 0.080 1.014 11.553 1.00 0.00 C ATOM 0 H VAL A 61 -1.080 4.461 14.135 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.809 1.633 14.034 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.719 2.108 11.724 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.244 3.254 10.105 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.766 4.336 11.418 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.877 3.653 11.428 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.019 0.863 10.478 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.134 1.120 11.809 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.337 0.156 12.080 1.00 0.00 H new ATOM 936 N VAL A 62 1.036 3.700 14.917 1.00 0.00 N ATOM 937 CA VAL A 62 2.359 4.190 15.258 1.00 0.00 C ATOM 938 C VAL A 62 2.912 3.477 16.500 1.00 0.00 C ATOM 939 O VAL A 62 2.270 3.426 17.551 1.00 0.00 O ATOM 940 CB VAL A 62 2.386 5.741 15.412 1.00 0.00 C ATOM 941 CG1 VAL A 62 1.464 6.398 14.400 1.00 0.00 C ATOM 942 CG2 VAL A 62 2.055 6.206 16.825 1.00 0.00 C ATOM 0 H VAL A 62 0.288 3.986 15.549 1.00 0.00 H new ATOM 0 HA VAL A 62 3.020 3.951 14.425 1.00 0.00 H new ATOM 0 HB VAL A 62 3.411 6.054 15.215 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.498 7.480 14.525 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.787 6.139 13.392 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.444 6.047 14.556 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.090 7.295 16.867 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.056 5.864 17.096 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.782 5.792 17.524 1.00 0.00 H new ATOM 952 N ASP A 63 4.072 2.842 16.333 1.00 0.00 N ATOM 953 CA ASP A 63 4.756 2.170 17.434 1.00 0.00 C ATOM 954 C ASP A 63 5.437 3.168 18.384 1.00 0.00 C ATOM 955 O ASP A 63 5.198 3.130 19.591 1.00 0.00 O ATOM 956 CB ASP A 63 5.795 1.184 16.885 1.00 0.00 C ATOM 957 CG ASP A 63 5.901 -0.077 17.718 1.00 0.00 C ATOM 958 OD1 ASP A 63 4.955 -0.887 17.695 1.00 0.00 O ATOM 959 OD2 ASP A 63 6.939 -0.273 18.377 1.00 0.00 O ATOM 0 H ASP A 63 4.559 2.780 15.439 1.00 0.00 H new ATOM 0 HA ASP A 63 4.001 1.630 18.006 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.532 0.917 15.861 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.769 1.672 16.847 1.00 0.00 H new ATOM 964 N PRO A 64 6.295 4.083 17.871 1.00 0.00 N ATOM 965 CA PRO A 64 7.099 4.968 18.698 1.00 0.00 C ATOM 966 C PRO A 64 6.511 6.378 18.828 1.00 0.00 C ATOM 967 O PRO A 64 5.298 6.552 18.943 1.00 0.00 O ATOM 968 CB PRO A 64 8.422 5.005 17.914 1.00 0.00 C ATOM 969 CG PRO A 64 8.088 4.560 16.514 1.00 0.00 C ATOM 970 CD PRO A 64 6.598 4.349 16.467 1.00 0.00 C ATOM 0 HA PRO A 64 7.178 4.621 19.728 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.847 6.009 17.913 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.162 4.346 18.367 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.395 5.311 15.786 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.617 3.640 16.265 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.071 5.227 16.093 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.322 3.514 15.823 1.00 0.00 H new ATOM 978 N ASP A 65 7.394 7.372 18.777 1.00 0.00 N ATOM 979 CA ASP A 65 7.048 8.779 19.017 1.00 0.00 C ATOM 980 C ASP A 65 6.253 9.395 17.855 1.00 0.00 C ATOM 981 O ASP A 65 6.034 10.605 17.808 1.00 0.00 O ATOM 982 CB ASP A 65 8.345 9.571 19.229 1.00 0.00 C ATOM 983 CG ASP A 65 8.114 11.000 19.677 1.00 0.00 C ATOM 984 OD1 ASP A 65 7.590 11.205 20.791 1.00 0.00 O ATOM 985 OD2 ASP A 65 8.456 11.928 18.914 1.00 0.00 O ATOM 0 H ASP A 65 8.381 7.227 18.566 1.00 0.00 H new ATOM 0 HA ASP A 65 6.411 8.825 19.900 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.956 9.060 19.973 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.914 9.578 18.299 1.00 0.00 H new ATOM 990 N GLY A 66 5.803 8.569 16.929 1.00 0.00 N ATOM 991 CA GLY A 66 5.169 9.089 15.734 1.00 0.00 C ATOM 992 C GLY A 66 5.778 8.499 14.481 1.00 0.00 C ATOM 993 O GLY A 66 5.151 7.712 13.769 1.00 0.00 O ATOM 0 H GLY A 66 5.863 7.552 16.979 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.102 8.866 15.761 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.268 10.174 15.711 1.00 0.00 H new ATOM 997 N ASN A 67 7.025 8.866 14.241 1.00 0.00 N ATOM 998 CA ASN A 67 7.765 8.431 13.064 1.00 0.00 C ATOM 999 C ASN A 67 8.363 7.043 13.269 1.00 0.00 C ATOM 1000 O ASN A 67 8.585 6.622 14.400 1.00 0.00 O ATOM 1001 CB ASN A 67 8.882 9.433 12.768 1.00 0.00 C ATOM 1002 CG ASN A 67 9.728 9.727 13.997 1.00 0.00 C ATOM 1003 OD1 ASN A 67 10.814 8.990 14.175 1.00 0.00 O flip ATOM 1004 ND2 ASN A 67 9.406 10.618 14.781 1.00 0.00 N flip ATOM 0 H ASN A 67 7.558 9.478 14.859 1.00 0.00 H new ATOM 0 HA ASN A 67 7.074 8.382 12.222 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.519 9.041 11.975 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.447 10.361 12.398 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.562 11.166 14.612 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.983 10.809 15.600 1.00 0.00 H new ATOM 1011 N LEU A 68 8.596 6.337 12.162 1.00 0.00 N ATOM 1012 CA LEU A 68 9.286 5.042 12.177 1.00 0.00 C ATOM 1013 C LEU A 68 8.428 3.968 12.830 1.00 0.00 C ATOM 1014 O LEU A 68 8.930 3.102 13.544 1.00 0.00 O ATOM 1015 CB LEU A 68 10.649 5.140 12.884 1.00 0.00 C ATOM 1016 CG LEU A 68 11.827 5.639 12.031 1.00 0.00 C ATOM 1017 CD1 LEU A 68 12.184 4.630 10.945 1.00 0.00 C ATOM 1018 CD2 LEU A 68 11.520 6.993 11.414 1.00 0.00 C ATOM 0 H LEU A 68 8.314 6.644 11.231 1.00 0.00 H new ATOM 0 HA LEU A 68 9.461 4.758 11.139 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.542 5.805 13.741 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.903 4.155 13.274 1.00 0.00 H new ATOM 0 HG LEU A 68 12.687 5.750 12.691 1.00 0.00 H new ATOM 0 HD11 LEU A 68 13.020 5.009 10.357 1.00 0.00 H new ATOM 0 HD12 LEU A 68 12.464 3.683 11.406 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.323 4.476 10.294 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.370 7.322 10.816 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.639 6.911 10.778 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.330 7.719 12.205 1.00 0.00 H new ATOM 1030 N HIS A 69 7.132 4.020 12.563 1.00 0.00 N ATOM 1031 CA HIS A 69 6.200 3.027 13.079 1.00 0.00 C ATOM 1032 C HIS A 69 6.311 1.709 12.308 1.00 0.00 C ATOM 1033 O HIS A 69 5.539 1.437 11.392 1.00 0.00 O ATOM 1034 CB HIS A 69 4.758 3.561 13.065 1.00 0.00 C ATOM 1035 CG HIS A 69 4.325 4.216 11.780 1.00 0.00 C ATOM 1036 ND1 HIS A 69 3.844 3.518 10.695 1.00 0.00 N ATOM 1037 CD2 HIS A 69 4.279 5.523 11.429 1.00 0.00 C ATOM 1038 CE1 HIS A 69 3.519 4.366 9.736 1.00 0.00 C ATOM 1039 NE2 HIS A 69 3.772 5.590 10.157 1.00 0.00 N ATOM 0 H HIS A 69 6.699 4.743 11.989 1.00 0.00 H new ATOM 0 HA HIS A 69 6.469 2.826 14.116 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.080 2.734 13.278 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.647 4.281 13.876 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.586 6.360 12.039 1.00 0.00 H new ATOM 0 HE1 HIS A 69 3.114 4.102 8.770 1.00 0.00 H new ATOM 0 HE2 HIS A 69 3.616 6.446 9.624 1.00 0.00 H new ATOM 1048 N HIS A 70 7.308 0.918 12.677 1.00 0.00 N ATOM 1049 CA HIS A 70 7.601 -0.346 12.009 1.00 0.00 C ATOM 1050 C HIS A 70 6.776 -1.503 12.593 1.00 0.00 C ATOM 1051 O HIS A 70 5.955 -2.115 11.892 1.00 0.00 O ATOM 1052 CB HIS A 70 9.116 -0.611 12.119 1.00 0.00 C ATOM 1053 CG HIS A 70 9.548 -2.027 11.894 1.00 0.00 C ATOM 1054 ND1 HIS A 70 9.609 -2.620 10.653 1.00 0.00 N ATOM 1055 CD2 HIS A 70 9.958 -2.963 12.777 1.00 0.00 C ATOM 1056 CE1 HIS A 70 10.035 -3.863 10.785 1.00 0.00 C ATOM 1057 NE2 HIS A 70 10.256 -4.096 12.065 1.00 0.00 N ATOM 0 H HIS A 70 7.939 1.133 13.449 1.00 0.00 H new ATOM 0 HA HIS A 70 7.318 -0.278 10.959 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.630 0.025 11.398 1.00 0.00 H new ATOM 0 HB3 HIS A 70 9.449 -0.303 13.110 1.00 0.00 H new ATOM 0 HD2 HIS A 70 10.037 -2.841 13.847 1.00 0.00 H new ATOM 0 HE1 HIS A 70 10.178 -4.570 9.981 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.593 -4.974 12.460 1.00 0.00 H new ATOM 1066 N GLY A 71 6.979 -1.779 13.878 1.00 0.00 N ATOM 1067 CA GLY A 71 6.332 -2.919 14.513 1.00 0.00 C ATOM 1068 C GLY A 71 4.827 -2.839 14.463 1.00 0.00 C ATOM 1069 O GLY A 71 4.168 -3.740 13.941 1.00 0.00 O ATOM 0 H GLY A 71 7.581 -1.233 14.494 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.659 -3.836 14.023 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.654 -2.981 15.553 1.00 0.00 H new ATOM 1073 N ASN A 72 4.294 -1.751 14.988 1.00 0.00 N ATOM 1074 CA ASN A 72 2.849 -1.531 15.021 1.00 0.00 C ATOM 1075 C ASN A 72 2.235 -1.624 13.617 1.00 0.00 C ATOM 1076 O ASN A 72 1.099 -2.049 13.472 1.00 0.00 O ATOM 1077 CB ASN A 72 2.531 -0.168 15.662 1.00 0.00 C ATOM 1078 CG ASN A 72 1.088 -0.038 16.132 1.00 0.00 C ATOM 1079 OD1 ASN A 72 0.174 -0.647 15.583 1.00 0.00 O ATOM 1080 ND2 ASN A 72 0.875 0.773 17.156 1.00 0.00 N ATOM 0 H ASN A 72 4.841 -0.996 15.402 1.00 0.00 H new ATOM 0 HA ASN A 72 2.403 -2.318 15.629 1.00 0.00 H new ATOM 0 HB2 ASN A 72 3.197 -0.011 16.511 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.742 0.622 14.941 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.071 0.907 17.512 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.657 1.264 17.589 1.00 0.00 H new ATOM 1087 N ALA A 73 2.998 -1.280 12.576 1.00 0.00 N ATOM 1088 CA ALA A 73 2.457 -1.270 11.218 1.00 0.00 C ATOM 1089 C ALA A 73 2.272 -2.682 10.689 1.00 0.00 C ATOM 1090 O ALA A 73 1.291 -2.988 9.999 1.00 0.00 O ATOM 1091 CB ALA A 73 3.355 -0.469 10.287 1.00 0.00 C ATOM 0 H ALA A 73 3.979 -1.009 12.647 1.00 0.00 H new ATOM 0 HA ALA A 73 1.478 -0.792 11.254 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.934 -0.474 9.282 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.426 0.558 10.645 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.349 -0.916 10.267 1.00 0.00 H new ATOM 1097 N LYS A 74 3.189 -3.561 11.046 1.00 0.00 N ATOM 1098 CA LYS A 74 3.103 -4.930 10.577 1.00 0.00 C ATOM 1099 C LYS A 74 2.080 -5.681 11.415 1.00 0.00 C ATOM 1100 O LYS A 74 1.272 -6.455 10.892 1.00 0.00 O ATOM 1101 CB LYS A 74 4.465 -5.614 10.633 1.00 0.00 C ATOM 1102 CG LYS A 74 5.575 -4.835 9.933 1.00 0.00 C ATOM 1103 CD LYS A 74 5.119 -4.188 8.626 1.00 0.00 C ATOM 1104 CE LYS A 74 4.728 -5.214 7.575 1.00 0.00 C ATOM 1105 NZ LYS A 74 4.381 -4.568 6.277 1.00 0.00 N ATOM 0 H LYS A 74 3.987 -3.358 11.647 1.00 0.00 H new ATOM 0 HA LYS A 74 2.783 -4.932 9.535 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.742 -5.765 11.676 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.384 -6.601 10.178 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.947 -4.061 10.604 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.409 -5.507 9.728 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.270 -3.534 8.825 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.920 -3.560 8.236 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.551 -5.913 7.425 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.877 -5.794 7.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.120 -5.299 5.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.580 -3.919 6.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.201 -4.035 5.924 1.00 0.00 H new ATOM 1119 N ASP A 75 2.092 -5.403 12.712 1.00 0.00 N ATOM 1120 CA ASP A 75 1.100 -5.947 13.627 1.00 0.00 C ATOM 1121 C ASP A 75 -0.295 -5.488 13.216 1.00 0.00 C ATOM 1122 O ASP A 75 -1.246 -6.274 13.204 1.00 0.00 O ATOM 1123 CB ASP A 75 1.411 -5.496 15.060 1.00 0.00 C ATOM 1124 CG ASP A 75 0.356 -5.926 16.055 1.00 0.00 C ATOM 1125 OD1 ASP A 75 0.387 -7.092 16.493 1.00 0.00 O ATOM 1126 OD2 ASP A 75 -0.504 -5.097 16.420 1.00 0.00 O ATOM 0 H ASP A 75 2.784 -4.799 13.156 1.00 0.00 H new ATOM 0 HA ASP A 75 1.134 -7.036 13.587 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.376 -5.903 15.362 1.00 0.00 H new ATOM 0 HB3 ASP A 75 1.503 -4.410 15.082 1.00 0.00 H new ATOM 1131 N PHE A 76 -0.388 -4.221 12.826 1.00 0.00 N ATOM 1132 CA PHE A 76 -1.639 -3.630 12.370 1.00 0.00 C ATOM 1133 C PHE A 76 -2.221 -4.413 11.209 1.00 0.00 C ATOM 1134 O PHE A 76 -3.423 -4.678 11.173 1.00 0.00 O ATOM 1135 CB PHE A 76 -1.410 -2.179 11.947 1.00 0.00 C ATOM 1136 CG PHE A 76 -2.616 -1.520 11.347 1.00 0.00 C ATOM 1137 CD1 PHE A 76 -3.755 -1.323 12.100 1.00 0.00 C ATOM 1138 CD2 PHE A 76 -2.600 -1.086 10.034 1.00 0.00 C ATOM 1139 CE1 PHE A 76 -4.863 -0.706 11.556 1.00 0.00 C ATOM 1140 CE2 PHE A 76 -3.705 -0.471 9.481 1.00 0.00 C ATOM 1141 CZ PHE A 76 -4.839 -0.281 10.245 1.00 0.00 C ATOM 0 H PHE A 76 0.402 -3.576 12.817 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.348 -3.661 13.197 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.090 -1.604 12.816 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.594 -2.146 11.225 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.780 -1.656 13.127 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.713 -1.230 9.435 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -5.748 -0.556 12.157 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.683 -0.139 8.453 1.00 0.00 H new ATOM 0 HZ PHE A 76 -5.706 0.200 9.816 1.00 0.00 H new ATOM 1151 N ALA A 77 -1.368 -4.807 10.273 1.00 0.00 N ATOM 1152 CA ALA A 77 -1.835 -5.551 9.117 1.00 0.00 C ATOM 1153 C ALA A 77 -2.265 -6.961 9.504 1.00 0.00 C ATOM 1154 O ALA A 77 -3.085 -7.575 8.826 1.00 0.00 O ATOM 1155 CB ALA A 77 -0.769 -5.608 8.035 1.00 0.00 C ATOM 0 H ALA A 77 -0.364 -4.626 10.292 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.703 -5.024 8.721 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.147 -6.171 7.182 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.517 -4.596 7.719 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.122 -6.098 8.428 1.00 0.00 H new ATOM 1161 N MET A 78 -1.708 -7.474 10.599 1.00 0.00 N ATOM 1162 CA MET A 78 -2.076 -8.806 11.078 1.00 0.00 C ATOM 1163 C MET A 78 -3.509 -8.833 11.597 1.00 0.00 C ATOM 1164 O MET A 78 -4.227 -9.807 11.389 1.00 0.00 O ATOM 1165 CB MET A 78 -1.136 -9.279 12.190 1.00 0.00 C ATOM 1166 CG MET A 78 0.338 -9.211 11.832 1.00 0.00 C ATOM 1167 SD MET A 78 1.405 -9.750 13.184 1.00 0.00 S ATOM 1168 CE MET A 78 3.004 -9.196 12.593 1.00 0.00 C ATOM 0 H MET A 78 -1.008 -6.995 11.166 1.00 0.00 H new ATOM 0 HA MET A 78 -1.990 -9.480 10.225 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.310 -8.673 13.079 1.00 0.00 H new ATOM 0 HB3 MET A 78 -1.388 -10.307 12.450 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.525 -9.833 10.956 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.595 -8.188 11.557 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.789 -9.608 13.227 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.150 -9.535 11.568 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.046 -8.107 12.624 1.00 0.00 H new ATOM 1178 N LYS A 79 -3.930 -7.783 12.292 1.00 0.00 N ATOM 1179 CA LYS A 79 -5.305 -7.742 12.772 1.00 0.00 C ATOM 1180 C LYS A 79 -6.218 -7.016 11.789 1.00 0.00 C ATOM 1181 O LYS A 79 -7.436 -7.005 11.963 1.00 0.00 O ATOM 1182 CB LYS A 79 -5.420 -7.125 14.175 1.00 0.00 C ATOM 1183 CG LYS A 79 -4.661 -5.825 14.370 1.00 0.00 C ATOM 1184 CD LYS A 79 -3.376 -6.045 15.143 1.00 0.00 C ATOM 1185 CE LYS A 79 -3.643 -6.538 16.554 1.00 0.00 C ATOM 1186 NZ LYS A 79 -2.382 -6.879 17.258 1.00 0.00 N ATOM 0 H LYS A 79 -3.359 -6.972 12.530 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.635 -8.778 12.846 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.473 -6.949 14.392 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.061 -7.851 14.905 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.432 -5.386 13.399 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.290 -5.111 14.902 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.755 -6.770 14.616 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.813 -5.113 15.184 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.177 -5.770 17.114 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.290 -7.415 16.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.589 -7.098 18.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.944 -7.706 16.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.728 -6.072 17.210 1.00 0.00 H new ATOM 1200 N HIS A 80 -5.642 -6.402 10.759 1.00 0.00 N ATOM 1201 CA HIS A 80 -6.446 -5.742 9.735 1.00 0.00 C ATOM 1202 C HIS A 80 -5.938 -6.092 8.343 1.00 0.00 C ATOM 1203 O HIS A 80 -5.053 -5.423 7.814 1.00 0.00 O ATOM 1204 CB HIS A 80 -6.433 -4.213 9.908 1.00 0.00 C ATOM 1205 CG HIS A 80 -6.839 -3.739 11.269 1.00 0.00 C ATOM 1206 ND1 HIS A 80 -6.140 -3.697 12.423 1.00 0.00 N flip ATOM 1207 CD2 HIS A 80 -8.084 -3.227 11.562 1.00 0.00 C flip ATOM 1208 CE1 HIS A 80 -6.960 -3.172 13.381 1.00 0.00 C flip ATOM 1209 NE2 HIS A 80 -8.130 -2.895 12.840 1.00 0.00 N flip ATOM 0 H HIS A 80 -4.634 -6.348 10.612 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.469 -6.099 9.850 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -5.430 -3.844 9.693 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -7.101 -3.771 9.169 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -8.895 -3.115 10.858 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -6.693 -3.010 14.415 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -8.933 -2.493 13.325 1.00 0.00 H new ATOM 1218 N GLY A 81 -6.456 -7.172 7.776 1.00 0.00 N ATOM 1219 CA GLY A 81 -6.171 -7.478 6.391 1.00 0.00 C ATOM 1220 C GLY A 81 -5.560 -8.848 6.205 1.00 0.00 C ATOM 1221 O GLY A 81 -6.196 -9.748 5.659 1.00 0.00 O ATOM 0 H GLY A 81 -7.066 -7.839 8.249 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.093 -7.415 5.813 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.492 -6.725 5.990 1.00 0.00 H new ATOM 1225 N ALA A 82 -4.332 -9.013 6.670 1.00 0.00 N ATOM 1226 CA ALA A 82 -3.602 -10.251 6.459 1.00 0.00 C ATOM 1227 C ALA A 82 -3.708 -11.170 7.661 1.00 0.00 C ATOM 1228 O ALA A 82 -3.846 -10.717 8.794 1.00 0.00 O ATOM 1229 CB ALA A 82 -2.138 -9.962 6.149 1.00 0.00 C ATOM 0 H ALA A 82 -3.820 -8.305 7.196 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.053 -10.758 5.606 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.607 -10.901 5.994 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.070 -9.354 5.247 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.689 -9.424 6.984 1.00 0.00 H new ATOM 1235 N ASP A 83 -3.642 -12.465 7.408 1.00 0.00 N ATOM 1236 CA ASP A 83 -3.579 -13.438 8.481 1.00 0.00 C ATOM 1237 C ASP A 83 -2.170 -13.434 9.038 1.00 0.00 C ATOM 1238 O ASP A 83 -1.217 -13.150 8.304 1.00 0.00 O ATOM 1239 CB ASP A 83 -3.942 -14.836 7.982 1.00 0.00 C ATOM 1240 CG ASP A 83 -5.244 -14.879 7.216 1.00 0.00 C ATOM 1241 OD1 ASP A 83 -5.223 -14.640 5.993 1.00 0.00 O ATOM 1242 OD2 ASP A 83 -6.288 -15.173 7.835 1.00 0.00 O ATOM 0 H ASP A 83 -3.631 -12.866 6.470 1.00 0.00 H new ATOM 0 HA ASP A 83 -4.298 -13.171 9.255 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.140 -15.205 7.343 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.007 -15.513 8.834 1.00 0.00 H new ATOM 1247 N GLU A 84 -2.012 -13.760 10.313 1.00 0.00 N ATOM 1248 CA GLU A 84 -0.758 -13.532 10.965 1.00 0.00 C ATOM 1249 C GLU A 84 0.286 -14.505 10.446 1.00 0.00 C ATOM 1250 O GLU A 84 1.448 -14.169 10.325 1.00 0.00 O ATOM 1251 CB GLU A 84 -0.921 -13.599 12.486 1.00 0.00 C ATOM 1252 CG GLU A 84 -0.822 -14.978 13.116 1.00 0.00 C ATOM 1253 CD GLU A 84 -0.059 -14.934 14.416 1.00 0.00 C ATOM 1254 OE1 GLU A 84 1.184 -14.845 14.375 1.00 0.00 O ATOM 1255 OE2 GLU A 84 -0.704 -14.958 15.483 1.00 0.00 O ATOM 0 H GLU A 84 -2.735 -14.178 10.899 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.407 -12.527 10.731 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.162 -12.961 12.939 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.891 -13.174 12.745 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.823 -15.372 13.293 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.328 -15.661 12.425 1.00 0.00 H new ATOM 1262 N THR A 85 -0.159 -15.697 10.097 1.00 0.00 N ATOM 1263 CA THR A 85 0.691 -16.690 9.476 1.00 0.00 C ATOM 1264 C THR A 85 1.299 -16.150 8.166 1.00 0.00 C ATOM 1265 O THR A 85 2.417 -16.513 7.793 1.00 0.00 O ATOM 1266 CB THR A 85 -0.101 -17.999 9.225 1.00 0.00 C ATOM 1267 OG1 THR A 85 0.733 -19.132 9.499 1.00 0.00 O ATOM 1268 CG2 THR A 85 -0.621 -18.107 7.793 1.00 0.00 C ATOM 0 H THR A 85 -1.122 -16.003 10.237 1.00 0.00 H new ATOM 0 HA THR A 85 1.513 -16.914 10.156 1.00 0.00 H new ATOM 0 HB THR A 85 -0.962 -17.980 9.894 1.00 0.00 H new ATOM 0 HG1 THR A 85 0.227 -19.956 9.341 1.00 0.00 H new ATOM 0 HG21 THR A 85 -1.168 -19.043 7.674 1.00 0.00 H new ATOM 0 HG22 THR A 85 -1.286 -17.269 7.583 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.219 -18.087 7.098 1.00 0.00 H new ATOM 1276 N MET A 86 0.592 -15.229 7.496 1.00 0.00 N ATOM 1277 CA MET A 86 1.061 -14.728 6.215 1.00 0.00 C ATOM 1278 C MET A 86 1.974 -13.546 6.449 1.00 0.00 C ATOM 1279 O MET A 86 3.009 -13.402 5.807 1.00 0.00 O ATOM 1280 CB MET A 86 -0.105 -14.325 5.314 1.00 0.00 C ATOM 1281 CG MET A 86 -1.262 -15.303 5.342 1.00 0.00 C ATOM 1282 SD MET A 86 -2.412 -15.062 3.972 1.00 0.00 S ATOM 1283 CE MET A 86 -2.857 -13.340 4.181 1.00 0.00 C ATOM 0 H MET A 86 -0.288 -14.828 7.819 1.00 0.00 H new ATOM 0 HA MET A 86 1.608 -15.523 5.708 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.464 -13.342 5.618 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.255 -14.230 4.289 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.873 -16.321 5.309 1.00 0.00 H new ATOM 0 HG3 MET A 86 -1.799 -15.197 6.285 1.00 0.00 H new ATOM 0 HE1 MET A 86 -3.928 -13.219 4.021 1.00 0.00 H new ATOM 0 HE2 MET A 86 -2.603 -13.018 5.191 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.311 -12.733 3.459 1.00 0.00 H new ATOM 1293 N ALA A 87 1.574 -12.703 7.378 1.00 0.00 N ATOM 1294 CA ALA A 87 2.419 -11.625 7.849 1.00 0.00 C ATOM 1295 C ALA A 87 3.725 -12.181 8.423 1.00 0.00 C ATOM 1296 O ALA A 87 4.791 -11.634 8.186 1.00 0.00 O ATOM 1297 CB ALA A 87 1.669 -10.816 8.893 1.00 0.00 C ATOM 0 H ALA A 87 0.659 -12.745 7.826 1.00 0.00 H new ATOM 0 HA ALA A 87 2.673 -10.973 7.013 1.00 0.00 H new ATOM 0 HB1 ALA A 87 2.303 -10.004 9.249 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.763 -10.402 8.450 1.00 0.00 H new ATOM 0 HB3 ALA A 87 1.402 -11.461 9.730 1.00 0.00 H new ATOM 1303 N GLN A 88 3.629 -13.300 9.134 1.00 0.00 N ATOM 1304 CA GLN A 88 4.776 -13.903 9.817 1.00 0.00 C ATOM 1305 C GLN A 88 5.716 -14.598 8.838 1.00 0.00 C ATOM 1306 O GLN A 88 6.913 -14.711 9.099 1.00 0.00 O ATOM 1307 CB GLN A 88 4.297 -14.898 10.882 1.00 0.00 C ATOM 1308 CG GLN A 88 4.251 -14.336 12.301 1.00 0.00 C ATOM 1309 CD GLN A 88 3.657 -12.943 12.378 1.00 0.00 C ATOM 1310 OE1 GLN A 88 4.379 -11.955 12.261 1.00 0.00 O ATOM 1311 NE2 GLN A 88 2.350 -12.841 12.595 1.00 0.00 N ATOM 0 H GLN A 88 2.757 -13.816 9.255 1.00 0.00 H new ATOM 0 HA GLN A 88 5.332 -13.098 10.298 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.301 -15.248 10.611 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.955 -15.767 10.871 1.00 0.00 H new ATOM 0 HG2 GLN A 88 3.667 -15.007 12.931 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.262 -14.315 12.708 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.781 -13.683 12.687 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.916 -11.921 12.670 1.00 0.00 H new ATOM 1320 N GLN A 89 5.194 -15.061 7.710 1.00 0.00 N ATOM 1321 CA GLN A 89 6.061 -15.593 6.668 1.00 0.00 C ATOM 1322 C GLN A 89 6.647 -14.441 5.851 1.00 0.00 C ATOM 1323 O GLN A 89 7.698 -14.571 5.228 1.00 0.00 O ATOM 1324 CB GLN A 89 5.320 -16.595 5.765 1.00 0.00 C ATOM 1325 CG GLN A 89 4.208 -15.991 4.923 1.00 0.00 C ATOM 1326 CD GLN A 89 3.472 -17.026 4.091 1.00 0.00 C ATOM 1327 OE1 GLN A 89 2.204 -16.763 3.807 1.00 0.00 O flip ATOM 1328 NE2 GLN A 89 4.033 -18.049 3.702 1.00 0.00 N flip ATOM 0 H GLN A 89 4.197 -15.080 7.496 1.00 0.00 H new ATOM 0 HA GLN A 89 6.874 -16.141 7.143 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.043 -17.068 5.101 1.00 0.00 H new ATOM 0 HB3 GLN A 89 4.897 -17.382 6.389 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.498 -15.485 5.577 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.629 -15.233 4.262 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.010 -18.217 3.941 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.521 -18.730 3.141 1.00 0.00 H new ATOM 1337 N LEU A 90 5.960 -13.302 5.880 1.00 0.00 N ATOM 1338 CA LEU A 90 6.386 -12.124 5.136 1.00 0.00 C ATOM 1339 C LEU A 90 7.441 -11.331 5.922 1.00 0.00 C ATOM 1340 O LEU A 90 8.434 -10.875 5.355 1.00 0.00 O ATOM 1341 CB LEU A 90 5.172 -11.239 4.829 1.00 0.00 C ATOM 1342 CG LEU A 90 5.162 -10.571 3.448 1.00 0.00 C ATOM 1343 CD1 LEU A 90 3.840 -9.858 3.217 1.00 0.00 C ATOM 1344 CD2 LEU A 90 6.316 -9.589 3.301 1.00 0.00 C ATOM 0 H LEU A 90 5.101 -13.172 6.415 1.00 0.00 H new ATOM 0 HA LEU A 90 6.839 -12.449 4.199 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.271 -11.845 4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.114 -10.460 5.589 1.00 0.00 H new ATOM 0 HG LEU A 90 5.283 -11.352 2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.847 -9.389 2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.024 -10.579 3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.700 -9.095 3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.281 -9.132 2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.233 -8.813 4.062 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.261 -10.118 3.424 1.00 0.00 H new ATOM 1356 N VAL A 91 7.225 -11.184 7.233 1.00 0.00 N ATOM 1357 CA VAL A 91 8.116 -10.392 8.094 1.00 0.00 C ATOM 1358 C VAL A 91 9.552 -10.901 8.044 1.00 0.00 C ATOM 1359 O VAL A 91 10.499 -10.123 8.156 1.00 0.00 O ATOM 1360 CB VAL A 91 7.644 -10.386 9.569 1.00 0.00 C ATOM 1361 CG1 VAL A 91 6.339 -9.621 9.735 1.00 0.00 C ATOM 1362 CG2 VAL A 91 7.515 -11.800 10.098 1.00 0.00 C ATOM 0 H VAL A 91 6.437 -11.605 7.725 1.00 0.00 H new ATOM 0 HA VAL A 91 8.079 -9.375 7.703 1.00 0.00 H new ATOM 0 HB VAL A 91 8.403 -9.869 10.157 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.038 -9.638 10.783 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.479 -8.589 9.414 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.564 -10.088 9.127 1.00 0.00 H new ATOM 0 HG21 VAL A 91 7.182 -11.771 11.136 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.788 -12.348 9.499 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.482 -12.300 10.041 1.00 0.00 H new ATOM 1372 N ASP A 92 9.699 -12.204 7.867 1.00 0.00 N ATOM 1373 CA ASP A 92 11.009 -12.830 7.765 1.00 0.00 C ATOM 1374 C ASP A 92 11.766 -12.273 6.562 1.00 0.00 C ATOM 1375 O ASP A 92 12.935 -11.891 6.667 1.00 0.00 O ATOM 1376 CB ASP A 92 10.833 -14.350 7.678 1.00 0.00 C ATOM 1377 CG ASP A 92 11.908 -15.043 6.857 1.00 0.00 C ATOM 1378 OD1 ASP A 92 13.098 -14.965 7.228 1.00 0.00 O ATOM 1379 OD2 ASP A 92 11.562 -15.688 5.842 1.00 0.00 O ATOM 0 H ASP A 92 8.918 -12.856 7.790 1.00 0.00 H new ATOM 0 HA ASP A 92 11.603 -12.605 8.651 1.00 0.00 H new ATOM 0 HB2 ASP A 92 10.834 -14.765 8.686 1.00 0.00 H new ATOM 0 HB3 ASP A 92 9.858 -14.570 7.243 1.00 0.00 H new ATOM 1384 N ILE A 93 11.072 -12.170 5.436 1.00 0.00 N ATOM 1385 CA ILE A 93 11.640 -11.550 4.253 1.00 0.00 C ATOM 1386 C ILE A 93 11.889 -10.072 4.494 1.00 0.00 C ATOM 1387 O ILE A 93 12.941 -9.548 4.131 1.00 0.00 O ATOM 1388 CB ILE A 93 10.727 -11.715 3.022 1.00 0.00 C ATOM 1389 CG1 ILE A 93 10.875 -13.115 2.436 1.00 0.00 C ATOM 1390 CG2 ILE A 93 11.023 -10.655 1.971 1.00 0.00 C ATOM 1391 CD1 ILE A 93 12.310 -13.583 2.320 1.00 0.00 C ATOM 0 H ILE A 93 10.117 -12.508 5.320 1.00 0.00 H new ATOM 0 HA ILE A 93 12.584 -12.056 4.051 1.00 0.00 H new ATOM 0 HB ILE A 93 9.695 -11.581 3.345 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.323 -13.819 3.059 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.416 -13.135 1.448 1.00 0.00 H new ATOM 0 HG21 ILE A 93 10.363 -10.797 1.115 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.857 -9.665 2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 93 12.060 -10.742 1.648 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.332 -14.587 1.895 1.00 0.00 H new ATOM 0 HD12 ILE A 93 12.863 -12.903 1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.769 -13.597 3.309 1.00 0.00 H new ATOM 1403 N ILE A 94 10.912 -9.408 5.108 1.00 0.00 N ATOM 1404 CA ILE A 94 11.017 -7.983 5.398 1.00 0.00 C ATOM 1405 C ILE A 94 12.303 -7.679 6.145 1.00 0.00 C ATOM 1406 O ILE A 94 13.051 -6.786 5.772 1.00 0.00 O ATOM 1407 CB ILE A 94 9.831 -7.475 6.242 1.00 0.00 C ATOM 1408 CG1 ILE A 94 8.515 -7.740 5.519 1.00 0.00 C ATOM 1409 CG2 ILE A 94 9.987 -5.987 6.541 1.00 0.00 C ATOM 1410 CD1 ILE A 94 7.304 -7.247 6.271 1.00 0.00 C ATOM 0 H ILE A 94 10.038 -9.836 5.414 1.00 0.00 H new ATOM 0 HA ILE A 94 11.010 -7.471 4.436 1.00 0.00 H new ATOM 0 HB ILE A 94 9.821 -8.016 7.188 1.00 0.00 H new ATOM 0 HG12 ILE A 94 8.545 -7.261 4.540 1.00 0.00 H new ATOM 0 HG13 ILE A 94 8.414 -8.812 5.346 1.00 0.00 H new ATOM 0 HG21 ILE A 94 9.141 -5.645 7.137 1.00 0.00 H new ATOM 0 HG22 ILE A 94 10.912 -5.822 7.094 1.00 0.00 H new ATOM 0 HG23 ILE A 94 10.020 -5.429 5.605 1.00 0.00 H new ATOM 0 HD11 ILE A 94 6.404 -7.469 5.697 1.00 0.00 H new ATOM 0 HD12 ILE A 94 7.249 -7.745 7.239 1.00 0.00 H new ATOM 0 HD13 ILE A 94 7.382 -6.170 6.421 1.00 0.00 H new ATOM 1422 N HIS A 95 12.578 -8.460 7.177 1.00 0.00 N ATOM 1423 CA HIS A 95 13.748 -8.208 8.010 1.00 0.00 C ATOM 1424 C HIS A 95 15.027 -8.527 7.242 1.00 0.00 C ATOM 1425 O HIS A 95 16.028 -7.818 7.364 1.00 0.00 O ATOM 1426 CB HIS A 95 13.708 -9.032 9.306 1.00 0.00 C ATOM 1427 CG HIS A 95 12.495 -8.805 10.155 1.00 0.00 C ATOM 1428 ND1 HIS A 95 12.093 -9.692 11.127 1.00 0.00 N ATOM 1429 CD2 HIS A 95 11.599 -7.788 10.187 1.00 0.00 C ATOM 1430 CE1 HIS A 95 11.009 -9.234 11.722 1.00 0.00 C ATOM 1431 NE2 HIS A 95 10.686 -8.078 11.173 1.00 0.00 N ATOM 0 H HIS A 95 12.017 -9.264 7.458 1.00 0.00 H new ATOM 0 HA HIS A 95 13.737 -7.151 8.276 1.00 0.00 H new ATOM 0 HB2 HIS A 95 13.762 -10.090 9.050 1.00 0.00 H new ATOM 0 HB3 HIS A 95 14.595 -8.801 9.895 1.00 0.00 H new ATOM 0 HD2 HIS A 95 11.602 -6.912 9.555 1.00 0.00 H new ATOM 0 HE1 HIS A 95 10.475 -9.723 12.524 1.00 0.00 H new ATOM 0 HE2 HIS A 95 9.891 -7.496 11.437 1.00 0.00 H new ATOM 1440 N GLY A 96 14.966 -9.546 6.392 1.00 0.00 N ATOM 1441 CA GLY A 96 16.156 -10.008 5.717 1.00 0.00 C ATOM 1442 C GLY A 96 16.485 -9.186 4.493 1.00 0.00 C ATOM 1443 O GLY A 96 17.601 -8.686 4.358 1.00 0.00 O ATOM 0 H GLY A 96 14.114 -10.057 6.161 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.998 -9.976 6.409 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.023 -11.050 5.426 1.00 0.00 H new ATOM 1447 N CYS A 97 15.519 -9.020 3.606 1.00 0.00 N ATOM 1448 CA CYS A 97 15.756 -8.289 2.383 1.00 0.00 C ATOM 1449 C CYS A 97 15.892 -6.787 2.633 1.00 0.00 C ATOM 1450 O CYS A 97 16.643 -6.133 1.924 1.00 0.00 O ATOM 1451 CB CYS A 97 14.698 -8.603 1.313 1.00 0.00 C ATOM 1452 SG CYS A 97 15.114 -10.077 0.308 1.00 0.00 S ATOM 0 H CYS A 97 14.571 -9.381 3.712 1.00 0.00 H new ATOM 0 HA CYS A 97 16.713 -8.630 1.989 1.00 0.00 H new ATOM 0 HB2 CYS A 97 13.734 -8.760 1.798 1.00 0.00 H new ATOM 0 HB3 CYS A 97 14.587 -7.741 0.655 1.00 0.00 H new ATOM 1457 N GLU A 98 15.193 -6.229 3.633 1.00 0.00 N ATOM 1458 CA GLU A 98 15.402 -4.823 3.988 1.00 0.00 C ATOM 1459 C GLU A 98 16.793 -4.626 4.587 1.00 0.00 C ATOM 1460 O GLU A 98 17.460 -3.631 4.304 1.00 0.00 O ATOM 1461 CB GLU A 98 14.331 -4.332 4.970 1.00 0.00 C ATOM 1462 CG GLU A 98 14.320 -2.824 5.170 1.00 0.00 C ATOM 1463 CD GLU A 98 13.319 -2.386 6.219 1.00 0.00 C ATOM 1464 OE1 GLU A 98 13.672 -2.390 7.416 1.00 0.00 O ATOM 1465 OE2 GLU A 98 12.174 -2.029 5.858 1.00 0.00 O ATOM 0 H GLU A 98 14.496 -6.717 4.196 1.00 0.00 H new ATOM 0 HA GLU A 98 15.321 -4.233 3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.351 -4.648 4.611 1.00 0.00 H new ATOM 0 HB3 GLU A 98 14.488 -4.815 5.934 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.316 -2.492 5.462 1.00 0.00 H new ATOM 0 HG3 GLU A 98 14.086 -2.337 4.223 1.00 0.00 H new ATOM 1472 N LYS A 99 17.246 -5.589 5.395 1.00 0.00 N ATOM 1473 CA LYS A 99 18.587 -5.523 5.957 1.00 0.00 C ATOM 1474 C LYS A 99 19.635 -5.634 4.853 1.00 0.00 C ATOM 1475 O LYS A 99 20.611 -4.884 4.829 1.00 0.00 O ATOM 1476 CB LYS A 99 18.798 -6.640 6.984 1.00 0.00 C ATOM 1477 CG LYS A 99 20.222 -6.718 7.512 1.00 0.00 C ATOM 1478 CD LYS A 99 20.589 -5.494 8.337 1.00 0.00 C ATOM 1479 CE LYS A 99 20.038 -5.577 9.752 1.00 0.00 C ATOM 1480 NZ LYS A 99 20.659 -6.689 10.518 1.00 0.00 N ATOM 0 H LYS A 99 16.708 -6.411 5.669 1.00 0.00 H new ATOM 0 HA LYS A 99 18.697 -4.560 6.456 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.117 -6.487 7.821 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.535 -7.595 6.529 1.00 0.00 H new ATOM 0 HG2 LYS A 99 20.334 -7.614 8.122 1.00 0.00 H new ATOM 0 HG3 LYS A 99 20.915 -6.813 6.676 1.00 0.00 H new ATOM 0 HD2 LYS A 99 21.674 -5.394 8.375 1.00 0.00 H new ATOM 0 HD3 LYS A 99 20.203 -4.599 7.849 1.00 0.00 H new ATOM 0 HE2 LYS A 99 20.218 -4.634 10.269 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.958 -5.719 9.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 20.563 -6.505 11.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 20.182 -7.582 10.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 21.667 -6.759 10.272 1.00 0.00 H new ATOM 1494 N SER A 100 19.414 -6.555 3.929 1.00 0.00 N ATOM 1495 CA SER A 100 20.375 -6.817 2.870 1.00 0.00 C ATOM 1496 C SER A 100 20.013 -6.050 1.598 1.00 0.00 C ATOM 1497 O SER A 100 20.514 -6.352 0.513 1.00 0.00 O ATOM 1498 CB SER A 100 20.444 -8.323 2.592 1.00 0.00 C ATOM 1499 OG SER A 100 21.570 -8.651 1.796 1.00 0.00 O ATOM 0 H SER A 100 18.576 -7.135 3.891 1.00 0.00 H new ATOM 0 HA SER A 100 21.356 -6.472 3.198 1.00 0.00 H new ATOM 0 HB2 SER A 100 20.493 -8.867 3.535 1.00 0.00 H new ATOM 0 HB3 SER A 100 19.533 -8.643 2.086 1.00 0.00 H new ATOM 0 HG SER A 100 21.621 -8.038 1.033 1.00 0.00 H new ATOM 1505 N ALA A 101 19.158 -5.047 1.734 1.00 0.00 N ATOM 1506 CA ALA A 101 18.768 -4.225 0.598 1.00 0.00 C ATOM 1507 C ALA A 101 19.919 -3.316 0.189 1.00 0.00 C ATOM 1508 O ALA A 101 20.754 -2.959 1.025 1.00 0.00 O ATOM 1509 CB ALA A 101 17.526 -3.402 0.929 1.00 0.00 C ATOM 0 H ALA A 101 18.722 -4.783 2.618 1.00 0.00 H new ATOM 0 HA ALA A 101 18.527 -4.881 -0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 101 17.251 -2.795 0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.702 -4.071 1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.736 -2.752 1.778 1.00 0.00 H new ATOM 1515 N PRO A 102 19.989 -2.948 -1.101 1.00 0.00 N ATOM 1516 CA PRO A 102 21.027 -2.046 -1.615 1.00 0.00 C ATOM 1517 C PRO A 102 21.097 -0.735 -0.824 1.00 0.00 C ATOM 1518 O PRO A 102 20.117 -0.333 -0.190 1.00 0.00 O ATOM 1519 CB PRO A 102 20.580 -1.780 -3.058 1.00 0.00 C ATOM 1520 CG PRO A 102 19.756 -2.964 -3.426 1.00 0.00 C ATOM 1521 CD PRO A 102 19.066 -3.393 -2.163 1.00 0.00 C ATOM 0 HA PRO A 102 22.024 -2.480 -1.537 1.00 0.00 H new ATOM 0 HB2 PRO A 102 20.002 -0.858 -3.129 1.00 0.00 H new ATOM 0 HB3 PRO A 102 21.436 -1.672 -3.724 1.00 0.00 H new ATOM 0 HG2 PRO A 102 19.032 -2.711 -4.200 1.00 0.00 H new ATOM 0 HG3 PRO A 102 20.379 -3.766 -3.823 1.00 0.00 H new ATOM 0 HD2 PRO A 102 18.085 -2.928 -2.063 1.00 0.00 H new ATOM 0 HD3 PRO A 102 18.912 -4.472 -2.136 1.00 0.00 H new ATOM 1529 N PRO A 103 22.257 -0.049 -0.851 1.00 0.00 N ATOM 1530 CA PRO A 103 22.460 1.216 -0.123 1.00 0.00 C ATOM 1531 C PRO A 103 21.651 2.382 -0.699 1.00 0.00 C ATOM 1532 O PRO A 103 22.010 3.550 -0.528 1.00 0.00 O ATOM 1533 CB PRO A 103 23.957 1.482 -0.274 1.00 0.00 C ATOM 1534 CG PRO A 103 24.365 0.740 -1.497 1.00 0.00 C ATOM 1535 CD PRO A 103 23.475 -0.468 -1.572 1.00 0.00 C ATOM 0 HA PRO A 103 22.125 1.134 0.911 1.00 0.00 H new ATOM 0 HB2 PRO A 103 24.159 2.548 -0.375 1.00 0.00 H new ATOM 0 HB3 PRO A 103 24.509 1.134 0.600 1.00 0.00 H new ATOM 0 HG2 PRO A 103 24.252 1.362 -2.385 1.00 0.00 H new ATOM 0 HG3 PRO A 103 25.414 0.448 -1.443 1.00 0.00 H new ATOM 0 HD2 PRO A 103 23.256 -0.741 -2.604 1.00 0.00 H new ATOM 0 HD3 PRO A 103 23.938 -1.337 -1.105 1.00 0.00 H new ATOM 1543 N ASN A 104 20.555 2.060 -1.368 1.00 0.00 N ATOM 1544 CA ASN A 104 19.663 3.068 -1.912 1.00 0.00 C ATOM 1545 C ASN A 104 18.610 3.407 -0.874 1.00 0.00 C ATOM 1546 O ASN A 104 17.594 2.718 -0.759 1.00 0.00 O ATOM 1547 CB ASN A 104 18.985 2.562 -3.192 1.00 0.00 C ATOM 1548 CG ASN A 104 19.976 2.136 -4.257 1.00 0.00 C ATOM 1549 OD1 ASN A 104 21.077 2.676 -4.351 1.00 0.00 O ATOM 1550 ND2 ASN A 104 19.596 1.159 -5.066 1.00 0.00 N ATOM 0 H ASN A 104 20.262 1.100 -1.547 1.00 0.00 H new ATOM 0 HA ASN A 104 20.242 3.957 -2.162 1.00 0.00 H new ATOM 0 HB2 ASN A 104 18.339 1.719 -2.946 1.00 0.00 H new ATOM 0 HB3 ASN A 104 18.345 3.348 -3.593 1.00 0.00 H new ATOM 0 HD21 ASN A 104 20.225 0.830 -5.798 1.00 0.00 H new ATOM 0 HD22 ASN A 104 18.674 0.736 -4.957 1.00 0.00 H new ATOM 1557 N ASP A 105 18.873 4.443 -0.095 1.00 0.00 N ATOM 1558 CA ASP A 105 17.964 4.836 0.969 1.00 0.00 C ATOM 1559 C ASP A 105 16.811 5.655 0.425 1.00 0.00 C ATOM 1560 O ASP A 105 16.948 6.854 0.177 1.00 0.00 O ATOM 1561 CB ASP A 105 18.683 5.628 2.065 1.00 0.00 C ATOM 1562 CG ASP A 105 17.741 6.036 3.188 1.00 0.00 C ATOM 1563 OD1 ASP A 105 17.528 5.228 4.111 1.00 0.00 O ATOM 1564 OD2 ASP A 105 17.203 7.166 3.148 1.00 0.00 O ATOM 0 H ASP A 105 19.706 5.026 -0.179 1.00 0.00 H new ATOM 0 HA ASP A 105 17.574 3.917 1.407 1.00 0.00 H new ATOM 0 HB2 ASP A 105 19.494 5.026 2.474 1.00 0.00 H new ATOM 0 HB3 ASP A 105 19.135 6.519 1.630 1.00 0.00 H new ATOM 1569 N ASP A 106 15.698 4.998 0.174 1.00 0.00 N ATOM 1570 CA ASP A 106 14.472 5.702 -0.129 1.00 0.00 C ATOM 1571 C ASP A 106 13.415 5.291 0.874 1.00 0.00 C ATOM 1572 O ASP A 106 12.914 4.159 0.837 1.00 0.00 O ATOM 1573 CB ASP A 106 13.991 5.438 -1.553 1.00 0.00 C ATOM 1574 CG ASP A 106 12.867 6.379 -1.952 1.00 0.00 C ATOM 1575 OD1 ASP A 106 11.727 6.196 -1.469 1.00 0.00 O ATOM 1576 OD2 ASP A 106 13.124 7.313 -2.745 1.00 0.00 O ATOM 0 H ASP A 106 15.618 3.981 0.174 1.00 0.00 H new ATOM 0 HA ASP A 106 14.662 6.773 -0.059 1.00 0.00 H new ATOM 0 HB2 ASP A 106 14.825 5.553 -2.246 1.00 0.00 H new ATOM 0 HB3 ASP A 106 13.648 4.407 -1.636 1.00 0.00 H new ATOM 1581 N LYS A 107 13.142 6.216 1.791 1.00 0.00 N ATOM 1582 CA LYS A 107 12.186 6.025 2.895 1.00 0.00 C ATOM 1583 C LYS A 107 11.039 5.052 2.572 1.00 0.00 C ATOM 1584 O LYS A 107 10.867 4.053 3.272 1.00 0.00 O ATOM 1585 CB LYS A 107 11.596 7.373 3.343 1.00 0.00 C ATOM 1586 CG LYS A 107 12.132 7.869 4.679 1.00 0.00 C ATOM 1587 CD LYS A 107 13.380 8.725 4.502 1.00 0.00 C ATOM 1588 CE LYS A 107 14.065 9.020 5.825 1.00 0.00 C ATOM 1589 NZ LYS A 107 13.227 9.874 6.704 1.00 0.00 N ATOM 0 H LYS A 107 13.582 7.136 1.794 1.00 0.00 H new ATOM 0 HA LYS A 107 12.765 5.574 3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 107 11.805 8.122 2.579 1.00 0.00 H new ATOM 0 HB3 LYS A 107 10.512 7.280 3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 107 11.362 8.449 5.188 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.363 7.016 5.318 1.00 0.00 H new ATOM 0 HD2 LYS A 107 14.078 8.214 3.839 1.00 0.00 H new ATOM 0 HD3 LYS A 107 13.109 9.663 4.018 1.00 0.00 H new ATOM 0 HE2 LYS A 107 14.288 8.083 6.335 1.00 0.00 H new ATOM 0 HE3 LYS A 107 15.017 9.516 5.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 13.730 10.052 7.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.035 10.779 6.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 12.328 9.390 6.904 1.00 0.00 H new ATOM 1603 N CYS A 108 10.252 5.328 1.536 1.00 0.00 N ATOM 1604 CA CYS A 108 9.074 4.530 1.262 1.00 0.00 C ATOM 1605 C CYS A 108 9.356 3.402 0.254 1.00 0.00 C ATOM 1606 O CYS A 108 8.557 2.474 0.122 1.00 0.00 O ATOM 1607 CB CYS A 108 7.963 5.450 0.745 1.00 0.00 C ATOM 1608 SG CYS A 108 6.301 4.708 0.682 1.00 0.00 S ATOM 0 H CYS A 108 10.411 6.093 0.880 1.00 0.00 H new ATOM 0 HA CYS A 108 8.761 4.048 2.188 1.00 0.00 H new ATOM 0 HB2 CYS A 108 7.923 6.336 1.379 1.00 0.00 H new ATOM 0 HB3 CYS A 108 8.230 5.787 -0.257 1.00 0.00 H new ATOM 1613 N MET A 109 10.504 3.441 -0.424 1.00 0.00 N ATOM 1614 CA MET A 109 10.744 2.544 -1.539 1.00 0.00 C ATOM 1615 C MET A 109 11.300 1.192 -1.068 1.00 0.00 C ATOM 1616 O MET A 109 11.101 0.142 -1.708 1.00 0.00 O ATOM 1617 CB MET A 109 11.697 3.201 -2.538 1.00 0.00 C ATOM 1618 CG MET A 109 12.328 2.230 -3.507 1.00 0.00 C ATOM 1619 SD MET A 109 13.426 3.030 -4.694 1.00 0.00 S ATOM 1620 CE MET A 109 13.979 1.615 -5.645 1.00 0.00 C ATOM 0 H MET A 109 11.272 4.080 -0.218 1.00 0.00 H new ATOM 0 HA MET A 109 9.790 2.349 -2.030 1.00 0.00 H new ATOM 0 HB2 MET A 109 11.152 3.959 -3.101 1.00 0.00 H new ATOM 0 HB3 MET A 109 12.485 3.716 -1.989 1.00 0.00 H new ATOM 0 HG2 MET A 109 12.890 1.481 -2.948 1.00 0.00 H new ATOM 0 HG3 MET A 109 11.542 1.702 -4.047 1.00 0.00 H new ATOM 0 HE1 MET A 109 14.668 1.946 -6.423 1.00 0.00 H new ATOM 0 HE2 MET A 109 14.487 0.910 -4.987 1.00 0.00 H new ATOM 0 HE3 MET A 109 13.120 1.127 -6.105 1.00 0.00 H new ATOM 1630 N LYS A 110 11.986 1.220 0.064 1.00 0.00 N ATOM 1631 CA LYS A 110 12.621 0.017 0.604 1.00 0.00 C ATOM 1632 C LYS A 110 11.600 -1.087 0.841 1.00 0.00 C ATOM 1633 O LYS A 110 11.864 -2.266 0.610 1.00 0.00 O ATOM 1634 CB LYS A 110 13.387 0.321 1.894 1.00 0.00 C ATOM 1635 CG LYS A 110 12.700 1.270 2.862 1.00 0.00 C ATOM 1636 CD LYS A 110 11.884 0.505 3.888 1.00 0.00 C ATOM 1637 CE LYS A 110 11.724 1.290 5.175 1.00 0.00 C ATOM 1638 NZ LYS A 110 11.090 0.469 6.238 1.00 0.00 N ATOM 0 H LYS A 110 12.120 2.058 0.629 1.00 0.00 H new ATOM 0 HA LYS A 110 13.336 -0.332 -0.141 1.00 0.00 H new ATOM 0 HB2 LYS A 110 13.579 -0.619 2.411 1.00 0.00 H new ATOM 0 HB3 LYS A 110 14.357 0.742 1.628 1.00 0.00 H new ATOM 0 HG2 LYS A 110 13.447 1.881 3.369 1.00 0.00 H new ATOM 0 HG3 LYS A 110 12.051 1.951 2.311 1.00 0.00 H new ATOM 0 HD2 LYS A 110 10.901 0.278 3.475 1.00 0.00 H new ATOM 0 HD3 LYS A 110 12.368 -0.448 4.101 1.00 0.00 H new ATOM 0 HE2 LYS A 110 12.700 1.636 5.515 1.00 0.00 H new ATOM 0 HE3 LYS A 110 11.118 2.177 4.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 11.505 0.714 7.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 10.067 0.657 6.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 11.253 -0.539 6.041 1.00 0.00 H new ATOM 1652 N THR A 111 10.441 -0.686 1.317 1.00 0.00 N ATOM 1653 CA THR A 111 9.315 -1.584 1.501 1.00 0.00 C ATOM 1654 C THR A 111 8.901 -2.295 0.195 1.00 0.00 C ATOM 1655 O THR A 111 8.244 -3.338 0.237 1.00 0.00 O ATOM 1656 CB THR A 111 8.140 -0.784 2.101 1.00 0.00 C ATOM 1657 OG1 THR A 111 7.695 -1.410 3.315 1.00 0.00 O ATOM 1658 CG2 THR A 111 6.960 -0.636 1.132 1.00 0.00 C ATOM 0 H THR A 111 10.249 0.278 1.590 1.00 0.00 H new ATOM 0 HA THR A 111 9.613 -2.378 2.186 1.00 0.00 H new ATOM 0 HB THR A 111 8.512 0.220 2.306 1.00 0.00 H new ATOM 0 HG1 THR A 111 6.950 -0.898 3.693 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.165 -0.064 1.611 1.00 0.00 H new ATOM 0 HG22 THR A 111 7.290 -0.115 0.233 1.00 0.00 H new ATOM 0 HG23 THR A 111 6.585 -1.623 0.862 1.00 0.00 H new ATOM 1666 N ILE A 112 9.339 -1.790 -0.956 1.00 0.00 N ATOM 1667 CA ILE A 112 9.048 -2.463 -2.210 1.00 0.00 C ATOM 1668 C ILE A 112 10.136 -3.489 -2.471 1.00 0.00 C ATOM 1669 O ILE A 112 9.863 -4.584 -2.965 1.00 0.00 O ATOM 1670 CB ILE A 112 8.921 -1.494 -3.411 1.00 0.00 C ATOM 1671 CG1 ILE A 112 7.551 -0.811 -3.422 1.00 0.00 C ATOM 1672 CG2 ILE A 112 9.164 -2.205 -4.737 1.00 0.00 C ATOM 1673 CD1 ILE A 112 7.526 0.519 -2.703 1.00 0.00 C ATOM 0 H ILE A 112 9.886 -0.933 -1.042 1.00 0.00 H new ATOM 0 HA ILE A 112 8.075 -2.945 -2.112 1.00 0.00 H new ATOM 0 HB ILE A 112 9.691 -0.732 -3.291 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.239 -0.661 -4.455 1.00 0.00 H new ATOM 0 HG13 ILE A 112 6.820 -1.476 -2.962 1.00 0.00 H new ATOM 0 HG21 ILE A 112 9.066 -1.492 -5.556 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.168 -2.629 -4.744 1.00 0.00 H new ATOM 0 HG23 ILE A 112 8.432 -3.003 -4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.522 0.941 -2.754 1.00 0.00 H new ATOM 0 HD12 ILE A 112 7.806 0.374 -1.660 1.00 0.00 H new ATOM 0 HD13 ILE A 112 8.231 1.202 -3.177 1.00 0.00 H new ATOM 1685 N ASP A 113 11.366 -3.138 -2.089 1.00 0.00 N ATOM 1686 CA ASP A 113 12.496 -4.055 -2.230 1.00 0.00 C ATOM 1687 C ASP A 113 12.244 -5.353 -1.452 1.00 0.00 C ATOM 1688 O ASP A 113 12.591 -6.440 -1.915 1.00 0.00 O ATOM 1689 CB ASP A 113 13.804 -3.387 -1.772 1.00 0.00 C ATOM 1690 CG ASP A 113 15.037 -4.195 -2.144 1.00 0.00 C ATOM 1691 OD1 ASP A 113 15.416 -5.105 -1.382 1.00 0.00 O ATOM 1692 OD2 ASP A 113 15.637 -3.915 -3.206 1.00 0.00 O ATOM 0 H ASP A 113 11.603 -2.233 -1.683 1.00 0.00 H new ATOM 0 HA ASP A 113 12.598 -4.307 -3.286 1.00 0.00 H new ATOM 0 HB2 ASP A 113 13.876 -2.395 -2.218 1.00 0.00 H new ATOM 0 HB3 ASP A 113 13.778 -3.249 -0.691 1.00 0.00 H new ATOM 1697 N VAL A 114 11.592 -5.256 -0.291 1.00 0.00 N ATOM 1698 CA VAL A 114 11.271 -6.451 0.482 1.00 0.00 C ATOM 1699 C VAL A 114 10.032 -7.142 -0.080 1.00 0.00 C ATOM 1700 O VAL A 114 9.958 -8.370 -0.134 1.00 0.00 O ATOM 1701 CB VAL A 114 11.047 -6.166 1.979 1.00 0.00 C ATOM 1702 CG1 VAL A 114 12.356 -5.870 2.662 1.00 0.00 C ATOM 1703 CG2 VAL A 114 10.102 -5.016 2.182 1.00 0.00 C ATOM 0 H VAL A 114 11.282 -4.378 0.126 1.00 0.00 H new ATOM 0 HA VAL A 114 12.141 -7.102 0.395 1.00 0.00 H new ATOM 0 HB VAL A 114 10.604 -7.059 2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.178 -5.671 3.719 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.021 -6.728 2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 114 12.818 -4.997 2.201 1.00 0.00 H new ATOM 0 HG21 VAL A 114 9.966 -4.841 3.249 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.514 -4.120 1.717 1.00 0.00 H new ATOM 0 HG23 VAL A 114 9.140 -5.251 1.727 1.00 0.00 H new ATOM 1713 N ALA A 115 9.062 -6.342 -0.508 1.00 0.00 N ATOM 1714 CA ALA A 115 7.823 -6.865 -1.061 1.00 0.00 C ATOM 1715 C ALA A 115 8.069 -7.708 -2.310 1.00 0.00 C ATOM 1716 O ALA A 115 7.539 -8.821 -2.446 1.00 0.00 O ATOM 1717 CB ALA A 115 6.886 -5.719 -1.360 1.00 0.00 C ATOM 0 H ALA A 115 9.113 -5.324 -0.481 1.00 0.00 H new ATOM 0 HA ALA A 115 7.366 -7.523 -0.322 1.00 0.00 H new ATOM 0 HB1 ALA A 115 5.956 -6.108 -1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 115 6.673 -5.174 -0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 115 7.352 -5.047 -2.081 1.00 0.00 H new ATOM 1723 N MET A 116 8.883 -7.191 -3.222 1.00 0.00 N ATOM 1724 CA MET A 116 9.202 -7.945 -4.424 1.00 0.00 C ATOM 1725 C MET A 116 10.152 -9.099 -4.104 1.00 0.00 C ATOM 1726 O MET A 116 10.203 -10.083 -4.835 1.00 0.00 O ATOM 1727 CB MET A 116 9.707 -7.049 -5.578 1.00 0.00 C ATOM 1728 CG MET A 116 10.933 -6.185 -5.301 1.00 0.00 C ATOM 1729 SD MET A 116 12.451 -7.136 -5.104 1.00 0.00 S ATOM 1730 CE MET A 116 13.669 -5.822 -5.064 1.00 0.00 C ATOM 0 H MET A 116 9.325 -6.274 -3.155 1.00 0.00 H new ATOM 0 HA MET A 116 8.274 -8.382 -4.792 1.00 0.00 H new ATOM 0 HB2 MET A 116 9.930 -7.690 -6.431 1.00 0.00 H new ATOM 0 HB3 MET A 116 8.891 -6.392 -5.878 1.00 0.00 H new ATOM 0 HG2 MET A 116 11.061 -5.476 -6.119 1.00 0.00 H new ATOM 0 HG3 MET A 116 10.760 -5.601 -4.397 1.00 0.00 H new ATOM 0 HE1 MET A 116 14.404 -5.983 -5.853 1.00 0.00 H new ATOM 0 HE2 MET A 116 13.175 -4.863 -5.219 1.00 0.00 H new ATOM 0 HE3 MET A 116 14.170 -5.820 -4.096 1.00 0.00 H new ATOM 1740 N CYS A 117 10.855 -8.989 -2.979 1.00 0.00 N ATOM 1741 CA CYS A 117 11.665 -10.082 -2.446 1.00 0.00 C ATOM 1742 C CYS A 117 10.763 -11.222 -2.001 1.00 0.00 C ATOM 1743 O CYS A 117 11.136 -12.389 -2.072 1.00 0.00 O ATOM 1744 CB CYS A 117 12.532 -9.575 -1.282 1.00 0.00 C ATOM 1745 SG CYS A 117 13.346 -10.882 -0.301 1.00 0.00 S ATOM 0 H CYS A 117 10.879 -8.141 -2.412 1.00 0.00 H new ATOM 0 HA CYS A 117 12.329 -10.455 -3.225 1.00 0.00 H new ATOM 0 HB2 CYS A 117 13.298 -8.911 -1.682 1.00 0.00 H new ATOM 0 HB3 CYS A 117 11.908 -8.978 -0.617 1.00 0.00 H new ATOM 1750 N PHE A 118 9.548 -10.882 -1.604 1.00 0.00 N ATOM 1751 CA PHE A 118 8.627 -11.883 -1.084 1.00 0.00 C ATOM 1752 C PHE A 118 7.935 -12.655 -2.202 1.00 0.00 C ATOM 1753 O PHE A 118 7.894 -13.886 -2.158 1.00 0.00 O ATOM 1754 CB PHE A 118 7.608 -11.265 -0.112 1.00 0.00 C ATOM 1755 CG PHE A 118 6.654 -12.265 0.493 1.00 0.00 C ATOM 1756 CD1 PHE A 118 7.086 -13.153 1.469 1.00 0.00 C ATOM 1757 CD2 PHE A 118 5.328 -12.321 0.086 1.00 0.00 C ATOM 1758 CE1 PHE A 118 6.217 -14.073 2.024 1.00 0.00 C ATOM 1759 CE2 PHE A 118 4.457 -13.240 0.637 1.00 0.00 C ATOM 1760 CZ PHE A 118 4.902 -14.118 1.607 1.00 0.00 C ATOM 0 H PHE A 118 9.178 -9.932 -1.630 1.00 0.00 H new ATOM 0 HA PHE A 118 9.223 -12.601 -0.520 1.00 0.00 H new ATOM 0 HB2 PHE A 118 8.146 -10.760 0.690 1.00 0.00 H new ATOM 0 HB3 PHE A 118 7.034 -10.503 -0.639 1.00 0.00 H new ATOM 0 HD1 PHE A 118 8.114 -13.124 1.799 1.00 0.00 H new ATOM 0 HD2 PHE A 118 4.973 -11.637 -0.671 1.00 0.00 H new ATOM 0 HE1 PHE A 118 6.567 -14.756 2.784 1.00 0.00 H new ATOM 0 HE2 PHE A 118 3.428 -13.273 0.310 1.00 0.00 H new ATOM 0 HZ PHE A 118 4.222 -14.838 2.038 1.00 0.00 H new ATOM 1770 N LYS A 119 7.390 -11.971 -3.211 1.00 0.00 N ATOM 1771 CA LYS A 119 6.724 -12.717 -4.281 1.00 0.00 C ATOM 1772 C LYS A 119 7.750 -13.476 -5.119 1.00 0.00 C ATOM 1773 O LYS A 119 7.438 -14.522 -5.686 1.00 0.00 O ATOM 1774 CB LYS A 119 5.801 -11.847 -5.159 1.00 0.00 C ATOM 1775 CG LYS A 119 6.316 -11.561 -6.566 1.00 0.00 C ATOM 1776 CD LYS A 119 7.336 -10.438 -6.586 1.00 0.00 C ATOM 1777 CE LYS A 119 6.736 -9.141 -6.077 1.00 0.00 C ATOM 1778 NZ LYS A 119 5.557 -8.707 -6.876 1.00 0.00 N ATOM 0 H LYS A 119 7.393 -10.956 -3.310 1.00 0.00 H new ATOM 0 HA LYS A 119 6.064 -13.437 -3.797 1.00 0.00 H new ATOM 0 HB2 LYS A 119 4.832 -12.340 -5.238 1.00 0.00 H new ATOM 0 HB3 LYS A 119 5.634 -10.897 -4.651 1.00 0.00 H new ATOM 0 HG2 LYS A 119 6.765 -12.465 -6.977 1.00 0.00 H new ATOM 0 HG3 LYS A 119 5.478 -11.300 -7.212 1.00 0.00 H new ATOM 0 HD2 LYS A 119 8.193 -10.711 -5.971 1.00 0.00 H new ATOM 0 HD3 LYS A 119 7.705 -10.297 -7.602 1.00 0.00 H new ATOM 0 HE2 LYS A 119 6.439 -9.266 -5.036 1.00 0.00 H new ATOM 0 HE3 LYS A 119 7.495 -8.359 -6.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 5.309 -7.729 -6.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 5.787 -8.757 -7.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 4.751 -9.332 -6.673 1.00 0.00 H new ATOM 1792 N LYS A 120 8.973 -12.939 -5.203 1.00 0.00 N ATOM 1793 CA LYS A 120 10.083 -13.662 -5.794 1.00 0.00 C ATOM 1794 C LYS A 120 10.287 -15.006 -5.117 1.00 0.00 C ATOM 1795 O LYS A 120 10.283 -16.048 -5.773 1.00 0.00 O ATOM 1796 CB LYS A 120 11.329 -12.842 -5.649 1.00 0.00 C ATOM 1797 CG LYS A 120 12.174 -12.836 -6.891 1.00 0.00 C ATOM 1798 CD LYS A 120 13.174 -11.732 -6.787 1.00 0.00 C ATOM 1799 CE LYS A 120 12.487 -10.379 -6.722 1.00 0.00 C ATOM 1800 NZ LYS A 120 13.453 -9.265 -6.908 1.00 0.00 N ATOM 0 H LYS A 120 9.209 -12.006 -4.866 1.00 0.00 H new ATOM 0 HA LYS A 120 9.861 -13.840 -6.846 1.00 0.00 H new ATOM 0 HB2 LYS A 120 11.056 -11.817 -5.397 1.00 0.00 H new ATOM 0 HB3 LYS A 120 11.918 -13.229 -4.817 1.00 0.00 H new ATOM 0 HG2 LYS A 120 12.680 -13.794 -7.008 1.00 0.00 H new ATOM 0 HG3 LYS A 120 11.548 -12.697 -7.773 1.00 0.00 H new ATOM 0 HD2 LYS A 120 13.788 -11.875 -5.898 1.00 0.00 H new ATOM 0 HD3 LYS A 120 13.845 -11.762 -7.646 1.00 0.00 H new ATOM 0 HE2 LYS A 120 11.716 -10.325 -7.490 1.00 0.00 H new ATOM 0 HE3 LYS A 120 11.986 -10.270 -5.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 13.314 -8.557 -6.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 14.424 -9.635 -6.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 13.298 -8.822 -7.836 1.00 0.00 H new ATOM 1814 N GLU A 121 10.447 -14.974 -3.798 1.00 0.00 N ATOM 1815 CA GLU A 121 10.638 -16.199 -3.027 1.00 0.00 C ATOM 1816 C GLU A 121 9.472 -17.176 -3.221 1.00 0.00 C ATOM 1817 O GLU A 121 9.698 -18.339 -3.549 1.00 0.00 O ATOM 1818 CB GLU A 121 10.820 -15.900 -1.531 1.00 0.00 C ATOM 1819 CG GLU A 121 12.084 -15.118 -1.188 1.00 0.00 C ATOM 1820 CD GLU A 121 13.332 -15.702 -1.817 1.00 0.00 C ATOM 1821 OE1 GLU A 121 13.890 -16.669 -1.255 1.00 0.00 O ATOM 1822 OE2 GLU A 121 13.768 -15.188 -2.870 1.00 0.00 O ATOM 0 H GLU A 121 10.448 -14.119 -3.242 1.00 0.00 H new ATOM 0 HA GLU A 121 11.548 -16.666 -3.403 1.00 0.00 H new ATOM 0 HB2 GLU A 121 9.955 -15.339 -1.178 1.00 0.00 H new ATOM 0 HB3 GLU A 121 10.833 -16.843 -0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 121 11.967 -14.086 -1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 121 12.207 -15.094 -0.105 1.00 0.00 H new ATOM 1829 N ILE A 122 8.228 -16.716 -3.036 1.00 0.00 N ATOM 1830 CA ILE A 122 7.071 -17.574 -3.180 1.00 0.00 C ATOM 1831 C ILE A 122 6.988 -18.174 -4.586 1.00 0.00 C ATOM 1832 O ILE A 122 6.528 -19.300 -4.756 1.00 0.00 O ATOM 1833 CB ILE A 122 5.767 -16.815 -2.814 1.00 0.00 C ATOM 1834 CG1 ILE A 122 4.866 -17.750 -2.024 1.00 0.00 C ATOM 1835 CG2 ILE A 122 5.035 -16.285 -4.045 1.00 0.00 C ATOM 1836 CD1 ILE A 122 3.539 -17.143 -1.619 1.00 0.00 C ATOM 0 H ILE A 122 8.009 -15.752 -2.786 1.00 0.00 H new ATOM 0 HA ILE A 122 7.185 -18.402 -2.480 1.00 0.00 H new ATOM 0 HB ILE A 122 6.034 -15.945 -2.214 1.00 0.00 H new ATOM 0 HG12 ILE A 122 4.677 -18.643 -2.620 1.00 0.00 H new ATOM 0 HG13 ILE A 122 5.394 -18.072 -1.126 1.00 0.00 H new ATOM 0 HG21 ILE A 122 4.130 -15.763 -3.734 1.00 0.00 H new ATOM 0 HG22 ILE A 122 5.684 -15.596 -4.586 1.00 0.00 H new ATOM 0 HG23 ILE A 122 4.767 -17.118 -4.696 1.00 0.00 H new ATOM 0 HD11 ILE A 122 2.959 -17.877 -1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 122 3.715 -16.267 -0.994 1.00 0.00 H new ATOM 0 HD13 ILE A 122 2.987 -16.847 -2.511 1.00 0.00 H new ATOM 1848 N HIS A 123 7.432 -17.431 -5.595 1.00 0.00 N ATOM 1849 CA HIS A 123 7.487 -17.971 -6.946 1.00 0.00 C ATOM 1850 C HIS A 123 8.608 -19.005 -7.087 1.00 0.00 C ATOM 1851 O HIS A 123 8.491 -19.954 -7.860 1.00 0.00 O ATOM 1852 CB HIS A 123 7.649 -16.853 -7.981 1.00 0.00 C ATOM 1853 CG HIS A 123 6.344 -16.305 -8.482 1.00 0.00 C ATOM 1854 ND1 HIS A 123 6.084 -16.092 -9.819 1.00 0.00 N ATOM 1855 CD2 HIS A 123 5.216 -15.939 -7.823 1.00 0.00 C ATOM 1856 CE1 HIS A 123 4.858 -15.622 -9.960 1.00 0.00 C ATOM 1857 NE2 HIS A 123 4.304 -15.520 -8.766 1.00 0.00 N ATOM 0 H HIS A 123 7.754 -16.467 -5.504 1.00 0.00 H new ATOM 0 HA HIS A 123 6.539 -18.475 -7.136 1.00 0.00 H new ATOM 0 HB2 HIS A 123 8.229 -16.042 -7.540 1.00 0.00 H new ATOM 0 HB3 HIS A 123 8.223 -17.232 -8.826 1.00 0.00 H new ATOM 0 HD2 HIS A 123 5.062 -15.970 -6.755 1.00 0.00 H new ATOM 0 HE1 HIS A 123 4.387 -15.364 -10.897 1.00 0.00 H new ATOM 0 HE2 HIS A 123 3.359 -15.187 -8.574 1.00 0.00 H new ATOM 1866 N LYS A 124 9.681 -18.828 -6.320 1.00 0.00 N ATOM 1867 CA LYS A 124 10.828 -19.714 -6.374 1.00 0.00 C ATOM 1868 C LYS A 124 10.522 -21.051 -5.699 1.00 0.00 C ATOM 1869 O LYS A 124 10.966 -22.102 -6.160 1.00 0.00 O ATOM 1870 CB LYS A 124 11.995 -19.011 -5.685 1.00 0.00 C ATOM 1871 CG LYS A 124 13.213 -19.873 -5.443 1.00 0.00 C ATOM 1872 CD LYS A 124 14.225 -19.110 -4.613 1.00 0.00 C ATOM 1873 CE LYS A 124 15.417 -19.972 -4.236 1.00 0.00 C ATOM 1874 NZ LYS A 124 16.116 -20.499 -5.436 1.00 0.00 N ATOM 0 H LYS A 124 9.774 -18.067 -5.647 1.00 0.00 H new ATOM 0 HA LYS A 124 11.081 -19.933 -7.411 1.00 0.00 H new ATOM 0 HB2 LYS A 124 12.291 -18.154 -6.290 1.00 0.00 H new ATOM 0 HB3 LYS A 124 11.649 -18.621 -4.728 1.00 0.00 H new ATOM 0 HG2 LYS A 124 12.925 -20.790 -4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 124 13.657 -20.167 -6.394 1.00 0.00 H new ATOM 0 HD2 LYS A 124 14.569 -18.239 -5.171 1.00 0.00 H new ATOM 0 HD3 LYS A 124 13.745 -18.739 -3.707 1.00 0.00 H new ATOM 0 HE2 LYS A 124 16.114 -19.387 -3.637 1.00 0.00 H new ATOM 0 HE3 LYS A 124 15.083 -20.803 -3.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 17.006 -20.953 -5.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 15.510 -21.197 -5.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 16.322 -19.716 -6.089 1.00 0.00 H new ATOM 1888 N LEU A 125 9.737 -21.012 -4.626 1.00 0.00 N ATOM 1889 CA LEU A 125 9.290 -22.245 -3.978 1.00 0.00 C ATOM 1890 C LEU A 125 8.000 -22.786 -4.600 1.00 0.00 C ATOM 1891 O LEU A 125 7.420 -23.744 -4.087 1.00 0.00 O ATOM 1892 CB LEU A 125 9.101 -22.054 -2.471 1.00 0.00 C ATOM 1893 CG LEU A 125 8.408 -20.769 -2.036 1.00 0.00 C ATOM 1894 CD1 LEU A 125 7.019 -21.052 -1.483 1.00 0.00 C ATOM 1895 CD2 LEU A 125 9.278 -20.076 -1.010 1.00 0.00 C ATOM 0 H LEU A 125 9.400 -20.154 -4.190 1.00 0.00 H new ATOM 0 HA LEU A 125 10.079 -22.979 -4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 125 8.528 -22.898 -2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 125 10.081 -22.092 -1.996 1.00 0.00 H new ATOM 0 HG LEU A 125 8.274 -20.117 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 125 6.550 -20.116 -1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 125 6.412 -21.531 -2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 125 7.099 -21.713 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 125 8.796 -19.153 -0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 125 9.419 -20.731 -0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 125 10.247 -19.844 -1.452 1.00 0.00 H new ATOM 1907 N ASN A 126 7.574 -22.183 -5.718 1.00 0.00 N ATOM 1908 CA ASN A 126 6.321 -22.544 -6.388 1.00 0.00 C ATOM 1909 C ASN A 126 5.109 -22.241 -5.511 1.00 0.00 C ATOM 1910 O ASN A 126 5.236 -21.947 -4.321 1.00 0.00 O ATOM 1911 CB ASN A 126 6.319 -24.013 -6.829 1.00 0.00 C ATOM 1912 CG ASN A 126 7.183 -24.265 -8.056 1.00 0.00 C ATOM 1913 OD1 ASN A 126 8.259 -23.507 -8.202 1.00 0.00 O flip ATOM 1914 ND2 ASN A 126 6.887 -25.143 -8.867 1.00 0.00 N flip ATOM 0 H ASN A 126 8.088 -21.433 -6.181 1.00 0.00 H new ATOM 0 HA ASN A 126 6.250 -21.927 -7.283 1.00 0.00 H new ATOM 0 HB2 ASN A 126 6.675 -24.634 -6.007 1.00 0.00 H new ATOM 0 HB3 ASN A 126 5.296 -24.322 -7.042 1.00 0.00 H new ATOM 0 HD21 ASN A 126 6.050 -25.709 -8.724 1.00 0.00 H new ATOM 0 HD22 ASN A 126 7.478 -25.305 -9.682 1.00 0.00 H new ATOM 1921 N TRP A 127 3.932 -22.304 -6.105 1.00 0.00 N ATOM 1922 CA TRP A 127 2.710 -21.912 -5.422 1.00 0.00 C ATOM 1923 C TRP A 127 1.831 -23.120 -5.115 1.00 0.00 C ATOM 1924 O TRP A 127 2.209 -24.265 -5.378 1.00 0.00 O ATOM 1925 CB TRP A 127 1.959 -20.906 -6.297 1.00 0.00 C ATOM 1926 CG TRP A 127 2.100 -21.213 -7.756 1.00 0.00 C ATOM 1927 CD1 TRP A 127 1.383 -22.120 -8.474 1.00 0.00 C ATOM 1928 CD2 TRP A 127 3.038 -20.629 -8.669 1.00 0.00 C ATOM 1929 NE1 TRP A 127 1.821 -22.142 -9.771 1.00 0.00 N ATOM 1930 CE2 TRP A 127 2.830 -21.232 -9.920 1.00 0.00 C ATOM 1931 CE3 TRP A 127 4.032 -19.655 -8.548 1.00 0.00 C ATOM 1932 CZ2 TRP A 127 3.579 -20.895 -11.045 1.00 0.00 C ATOM 1933 CZ3 TRP A 127 4.774 -19.318 -9.664 1.00 0.00 C ATOM 1934 CH2 TRP A 127 4.544 -19.937 -10.898 1.00 0.00 C ATOM 0 H TRP A 127 3.795 -22.624 -7.064 1.00 0.00 H new ATOM 0 HA TRP A 127 2.967 -21.453 -4.468 1.00 0.00 H new ATOM 0 HB2 TRP A 127 0.903 -20.909 -6.027 1.00 0.00 H new ATOM 0 HB3 TRP A 127 2.336 -19.902 -6.100 1.00 0.00 H new ATOM 0 HD1 TRP A 127 0.586 -22.732 -8.079 1.00 0.00 H new ATOM 0 HE1 TRP A 127 1.453 -22.742 -10.509 1.00 0.00 H new ATOM 0 HE3 TRP A 127 4.217 -19.174 -7.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 3.404 -21.372 -11.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 5.544 -18.565 -9.583 1.00 0.00 H new ATOM 0 HH2 TRP A 127 5.141 -19.652 -11.752 1.00 0.00 H new ATOM 1945 N VAL A 128 0.668 -22.853 -4.545 1.00 0.00 N ATOM 1946 CA VAL A 128 -0.304 -23.895 -4.244 1.00 0.00 C ATOM 1947 C VAL A 128 -1.056 -24.293 -5.512 1.00 0.00 C ATOM 1948 O VAL A 128 -0.862 -23.679 -6.556 1.00 0.00 O ATOM 1949 CB VAL A 128 -1.307 -23.421 -3.167 1.00 0.00 C ATOM 1950 CG1 VAL A 128 -0.590 -23.150 -1.854 1.00 0.00 C ATOM 1951 CG2 VAL A 128 -2.060 -22.182 -3.630 1.00 0.00 C ATOM 0 H VAL A 128 0.370 -21.914 -4.279 1.00 0.00 H new ATOM 0 HA VAL A 128 0.234 -24.760 -3.857 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.034 -24.218 -3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.311 -22.817 -1.108 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.106 -24.063 -1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 128 0.162 -22.375 -2.003 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.759 -21.870 -2.854 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -1.351 -21.377 -3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -2.610 -22.410 -4.543 1.00 0.00 H new ATOM 1961 N PRO A 129 -1.886 -25.349 -5.456 1.00 0.00 N ATOM 1962 CA PRO A 129 -2.734 -25.743 -6.587 1.00 0.00 C ATOM 1963 C PRO A 129 -3.620 -24.605 -7.102 1.00 0.00 C ATOM 1964 O PRO A 129 -4.701 -24.340 -6.566 1.00 0.00 O ATOM 1965 CB PRO A 129 -3.587 -26.874 -6.013 1.00 0.00 C ATOM 1966 CG PRO A 129 -2.760 -27.442 -4.915 1.00 0.00 C ATOM 1967 CD PRO A 129 -2.029 -26.274 -4.316 1.00 0.00 C ATOM 0 HA PRO A 129 -2.137 -26.033 -7.452 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -4.541 -26.502 -5.640 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -3.812 -27.625 -6.770 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -3.383 -27.938 -4.171 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -2.062 -28.188 -5.295 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -2.591 -25.823 -3.499 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -1.060 -26.569 -3.912 1.00 0.00 H new ATOM 1975 N ASN A 130 -3.119 -23.913 -8.116 1.00 0.00 N ATOM 1976 CA ASN A 130 -3.859 -22.866 -8.810 1.00 0.00 C ATOM 1977 C ASN A 130 -3.093 -22.489 -10.071 1.00 0.00 C ATOM 1978 O ASN A 130 -2.131 -23.166 -10.437 1.00 0.00 O ATOM 1979 CB ASN A 130 -4.068 -21.624 -7.921 1.00 0.00 C ATOM 1980 CG ASN A 130 -2.810 -20.787 -7.730 1.00 0.00 C ATOM 1981 OD1 ASN A 130 -1.697 -21.296 -7.701 1.00 0.00 O ATOM 1982 ND2 ASN A 130 -2.987 -19.480 -7.611 1.00 0.00 N ATOM 0 H ASN A 130 -2.180 -24.063 -8.484 1.00 0.00 H new ATOM 0 HA ASN A 130 -4.849 -23.245 -9.064 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -4.845 -21.000 -8.362 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -4.432 -21.944 -6.945 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -2.182 -18.865 -7.491 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -3.928 -19.088 -7.639 1.00 0.00 H new ATOM 1989 N MET A 131 -3.515 -21.431 -10.739 1.00 0.00 N ATOM 1990 CA MET A 131 -2.816 -20.959 -11.919 1.00 0.00 C ATOM 1991 C MET A 131 -2.296 -19.545 -11.697 1.00 0.00 C ATOM 1992 O MET A 131 -3.064 -18.579 -11.743 1.00 0.00 O ATOM 1993 CB MET A 131 -3.743 -20.988 -13.137 1.00 0.00 C ATOM 1994 CG MET A 131 -4.328 -22.360 -13.432 1.00 0.00 C ATOM 1995 SD MET A 131 -5.519 -22.327 -14.784 1.00 0.00 S ATOM 1996 CE MET A 131 -6.063 -24.034 -14.793 1.00 0.00 C ATOM 0 H MET A 131 -4.337 -20.883 -10.485 1.00 0.00 H new ATOM 0 HA MET A 131 -1.970 -21.621 -12.105 1.00 0.00 H new ATOM 0 HB2 MET A 131 -4.558 -20.282 -12.978 1.00 0.00 H new ATOM 0 HB3 MET A 131 -3.190 -20.644 -14.011 1.00 0.00 H new ATOM 0 HG2 MET A 131 -3.521 -23.050 -13.680 1.00 0.00 H new ATOM 0 HG3 MET A 131 -4.812 -22.745 -12.535 1.00 0.00 H new ATOM 0 HE1 MET A 131 -6.805 -24.175 -15.579 1.00 0.00 H new ATOM 0 HE2 MET A 131 -5.210 -24.687 -14.978 1.00 0.00 H new ATOM 0 HE3 MET A 131 -6.505 -24.280 -13.828 1.00 0.00 H new ATOM 2006 N ASP A 132 -1.006 -19.425 -11.423 1.00 0.00 N ATOM 2007 CA ASP A 132 -0.376 -18.117 -11.304 1.00 0.00 C ATOM 2008 C ASP A 132 -0.089 -17.565 -12.694 1.00 0.00 C ATOM 2009 O ASP A 132 0.748 -18.092 -13.424 1.00 0.00 O ATOM 2010 CB ASP A 132 0.921 -18.197 -10.491 1.00 0.00 C ATOM 2011 CG ASP A 132 1.591 -16.841 -10.306 1.00 0.00 C ATOM 2012 OD1 ASP A 132 2.129 -16.298 -11.291 1.00 0.00 O ATOM 2013 OD2 ASP A 132 1.589 -16.317 -9.168 1.00 0.00 O ATOM 0 H ASP A 132 -0.376 -20.214 -11.279 1.00 0.00 H new ATOM 0 HA ASP A 132 -1.059 -17.450 -10.778 1.00 0.00 H new ATOM 0 HB2 ASP A 132 0.704 -18.626 -9.513 1.00 0.00 H new ATOM 0 HB3 ASP A 132 1.615 -18.874 -10.989 1.00 0.00 H new ATOM 2018 N LEU A 133 -0.812 -16.520 -13.065 1.00 0.00 N ATOM 2019 CA LEU A 133 -0.634 -15.891 -14.366 1.00 0.00 C ATOM 2020 C LEU A 133 0.199 -14.624 -14.233 1.00 0.00 C ATOM 2021 O LEU A 133 0.054 -13.686 -15.018 1.00 0.00 O ATOM 2022 CB LEU A 133 -1.990 -15.576 -15.009 1.00 0.00 C ATOM 2023 CG LEU A 133 -2.622 -16.715 -15.822 1.00 0.00 C ATOM 2024 CD1 LEU A 133 -2.902 -17.927 -14.950 1.00 0.00 C ATOM 2025 CD2 LEU A 133 -3.899 -16.238 -16.494 1.00 0.00 C ATOM 0 H LEU A 133 -1.529 -16.088 -12.483 1.00 0.00 H new ATOM 0 HA LEU A 133 -0.104 -16.590 -15.014 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -2.686 -15.286 -14.222 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -1.870 -14.712 -15.662 1.00 0.00 H new ATOM 0 HG LEU A 133 -1.910 -17.015 -16.591 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -3.349 -18.715 -15.555 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -1.969 -18.287 -14.517 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -3.589 -17.649 -14.151 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -4.336 -17.056 -17.067 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -4.608 -15.907 -15.735 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -3.670 -15.408 -17.163 1.00 0.00 H new ATOM 2037 N VAL A 134 1.083 -14.612 -13.245 1.00 0.00 N ATOM 2038 CA VAL A 134 1.971 -13.483 -13.024 1.00 0.00 C ATOM 2039 C VAL A 134 3.371 -13.837 -13.526 1.00 0.00 C ATOM 2040 O VAL A 134 4.356 -13.148 -13.248 1.00 0.00 O ATOM 2041 CB VAL A 134 2.022 -13.094 -11.525 1.00 0.00 C ATOM 2042 CG1 VAL A 134 2.642 -11.715 -11.331 1.00 0.00 C ATOM 2043 CG2 VAL A 134 0.632 -13.149 -10.909 1.00 0.00 C ATOM 0 H VAL A 134 1.203 -15.377 -12.581 1.00 0.00 H new ATOM 0 HA VAL A 134 1.588 -12.625 -13.576 1.00 0.00 H new ATOM 0 HB VAL A 134 2.656 -13.819 -11.014 1.00 0.00 H new ATOM 0 HG11 VAL A 134 2.663 -11.472 -10.269 1.00 0.00 H new ATOM 0 HG12 VAL A 134 3.659 -11.715 -11.724 1.00 0.00 H new ATOM 0 HG13 VAL A 134 2.048 -10.971 -11.862 1.00 0.00 H new ATOM 0 HG21 VAL A 134 0.689 -12.873 -9.856 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -0.025 -12.454 -11.431 1.00 0.00 H new ATOM 0 HG23 VAL A 134 0.235 -14.160 -10.997 1.00 0.00 H new ATOM 2053 N ILE A 135 3.450 -14.927 -14.288 1.00 0.00 N ATOM 2054 CA ILE A 135 4.714 -15.364 -14.877 1.00 0.00 C ATOM 2055 C ILE A 135 5.138 -14.487 -16.067 1.00 0.00 C ATOM 2056 O ILE A 135 6.007 -14.875 -16.852 1.00 0.00 O ATOM 2057 CB ILE A 135 4.675 -16.850 -15.324 1.00 0.00 C ATOM 2058 CG1 ILE A 135 3.778 -17.073 -16.564 1.00 0.00 C ATOM 2059 CG2 ILE A 135 4.221 -17.735 -14.169 1.00 0.00 C ATOM 2060 CD1 ILE A 135 2.284 -17.037 -16.302 1.00 0.00 C ATOM 0 H ILE A 135 2.653 -15.523 -14.512 1.00 0.00 H new ATOM 0 HA ILE A 135 5.454 -15.258 -14.084 1.00 0.00 H new ATOM 0 HB ILE A 135 5.689 -17.126 -15.614 1.00 0.00 H new ATOM 0 HG12 ILE A 135 4.018 -16.312 -17.306 1.00 0.00 H new ATOM 0 HG13 ILE A 135 4.029 -18.038 -17.004 1.00 0.00 H new ATOM 0 HG21 ILE A 135 4.198 -18.775 -14.495 1.00 0.00 H new ATOM 0 HG22 ILE A 135 4.916 -17.631 -13.336 1.00 0.00 H new ATOM 0 HG23 ILE A 135 3.224 -17.433 -13.849 1.00 0.00 H new ATOM 0 HD11 ILE A 135 1.747 -17.204 -17.236 1.00 0.00 H new ATOM 0 HD12 ILE A 135 2.021 -17.817 -15.587 1.00 0.00 H new ATOM 0 HD13 ILE A 135 2.009 -16.064 -15.894 1.00 0.00 H new ATOM 2072 N GLY A 136 4.561 -13.293 -16.184 1.00 0.00 N ATOM 2073 CA GLY A 136 4.934 -12.389 -17.248 1.00 0.00 C ATOM 2074 C GLY A 136 6.049 -11.470 -16.811 1.00 0.00 C ATOM 2075 O GLY A 136 6.025 -10.268 -17.087 1.00 0.00 O ATOM 0 H GLY A 136 3.840 -12.939 -15.556 1.00 0.00 H new ATOM 0 HA2 GLY A 136 5.250 -12.960 -18.121 1.00 0.00 H new ATOM 0 HA3 GLY A 136 4.068 -11.799 -17.549 1.00 0.00 H new ATOM 2079 N GLU A 137 7.014 -12.051 -16.102 1.00 0.00 N ATOM 2080 CA GLU A 137 8.168 -11.326 -15.594 1.00 0.00 C ATOM 2081 C GLU A 137 8.863 -10.581 -16.724 1.00 0.00 C ATOM 2082 O GLU A 137 9.434 -11.194 -17.629 1.00 0.00 O ATOM 2083 CB GLU A 137 9.132 -12.306 -14.922 1.00 0.00 C ATOM 2084 CG GLU A 137 10.392 -11.663 -14.374 1.00 0.00 C ATOM 2085 CD GLU A 137 11.251 -12.651 -13.616 1.00 0.00 C ATOM 2086 OE1 GLU A 137 11.894 -13.505 -14.261 1.00 0.00 O ATOM 2087 OE2 GLU A 137 11.272 -12.590 -12.371 1.00 0.00 O ATOM 0 H GLU A 137 7.014 -13.043 -15.864 1.00 0.00 H new ATOM 0 HA GLU A 137 7.837 -10.594 -14.858 1.00 0.00 H new ATOM 0 HB2 GLU A 137 8.611 -12.810 -14.108 1.00 0.00 H new ATOM 0 HB3 GLU A 137 9.413 -13.073 -15.643 1.00 0.00 H new ATOM 0 HG2 GLU A 137 10.968 -11.238 -15.196 1.00 0.00 H new ATOM 0 HG3 GLU A 137 10.121 -10.839 -13.715 1.00 0.00 H new ATOM 2094 N VAL A 138 8.788 -9.262 -16.675 1.00 0.00 N ATOM 2095 CA VAL A 138 9.324 -8.425 -17.732 1.00 0.00 C ATOM 2096 C VAL A 138 10.848 -8.433 -17.747 1.00 0.00 C ATOM 2097 O VAL A 138 11.507 -7.800 -16.921 1.00 0.00 O ATOM 2098 CB VAL A 138 8.799 -6.974 -17.637 1.00 0.00 C ATOM 2099 CG1 VAL A 138 7.354 -6.907 -18.101 1.00 0.00 C ATOM 2100 CG2 VAL A 138 8.920 -6.435 -16.216 1.00 0.00 C ATOM 0 H VAL A 138 8.358 -8.746 -15.908 1.00 0.00 H new ATOM 0 HA VAL A 138 8.974 -8.854 -18.671 1.00 0.00 H new ATOM 0 HB VAL A 138 9.412 -6.351 -18.288 1.00 0.00 H new ATOM 0 HG11 VAL A 138 6.996 -5.880 -18.029 1.00 0.00 H new ATOM 0 HG12 VAL A 138 7.288 -7.243 -19.136 1.00 0.00 H new ATOM 0 HG13 VAL A 138 6.739 -7.550 -17.471 1.00 0.00 H new ATOM 0 HG21 VAL A 138 8.543 -5.413 -16.181 1.00 0.00 H new ATOM 0 HG22 VAL A 138 8.338 -7.060 -15.539 1.00 0.00 H new ATOM 0 HG23 VAL A 138 9.966 -6.446 -15.910 1.00 0.00 H new ATOM 2110 N LEU A 139 11.405 -9.185 -18.682 1.00 0.00 N ATOM 2111 CA LEU A 139 12.836 -9.183 -18.898 1.00 0.00 C ATOM 2112 C LEU A 139 13.190 -7.963 -19.739 1.00 0.00 C ATOM 2113 O LEU A 139 13.075 -7.983 -20.965 1.00 0.00 O ATOM 2114 CB LEU A 139 13.273 -10.488 -19.584 1.00 0.00 C ATOM 2115 CG LEU A 139 14.778 -10.806 -19.553 1.00 0.00 C ATOM 2116 CD1 LEU A 139 15.004 -12.275 -19.869 1.00 0.00 C ATOM 2117 CD2 LEU A 139 15.549 -9.945 -20.544 1.00 0.00 C ATOM 0 H LEU A 139 10.884 -9.804 -19.303 1.00 0.00 H new ATOM 0 HA LEU A 139 13.365 -9.128 -17.947 1.00 0.00 H new ATOM 0 HB2 LEU A 139 12.739 -11.315 -19.116 1.00 0.00 H new ATOM 0 HB3 LEU A 139 12.953 -10.450 -20.625 1.00 0.00 H new ATOM 0 HG LEU A 139 15.146 -10.584 -18.551 1.00 0.00 H new ATOM 0 HD11 LEU A 139 16.072 -12.492 -19.845 1.00 0.00 H new ATOM 0 HD12 LEU A 139 14.492 -12.889 -19.128 1.00 0.00 H new ATOM 0 HD13 LEU A 139 14.610 -12.499 -20.861 1.00 0.00 H new ATOM 0 HD21 LEU A 139 16.609 -10.195 -20.496 1.00 0.00 H new ATOM 0 HD22 LEU A 139 15.178 -10.130 -21.552 1.00 0.00 H new ATOM 0 HD23 LEU A 139 15.413 -8.893 -20.294 1.00 0.00 H new ATOM 2129 N ALA A 140 13.551 -6.882 -19.070 1.00 0.00 N ATOM 2130 CA ALA A 140 13.864 -5.641 -19.752 1.00 0.00 C ATOM 2131 C ALA A 140 15.348 -5.559 -20.069 1.00 0.00 C ATOM 2132 O ALA A 140 16.159 -5.215 -19.209 1.00 0.00 O ATOM 2133 CB ALA A 140 13.431 -4.448 -18.914 1.00 0.00 C ATOM 0 H ALA A 140 13.634 -6.840 -18.054 1.00 0.00 H new ATOM 0 HA ALA A 140 13.313 -5.621 -20.692 1.00 0.00 H new ATOM 0 HB1 ALA A 140 13.674 -3.526 -19.441 1.00 0.00 H new ATOM 0 HB2 ALA A 140 12.356 -4.495 -18.742 1.00 0.00 H new ATOM 0 HB3 ALA A 140 13.953 -4.467 -17.957 1.00 0.00 H new ATOM 2139 N GLU A 141 15.699 -5.917 -21.294 1.00 0.00 N ATOM 2140 CA GLU A 141 17.073 -5.815 -21.748 1.00 0.00 C ATOM 2141 C GLU A 141 17.271 -4.493 -22.482 1.00 0.00 C ATOM 2142 O GLU A 141 17.642 -3.494 -21.866 1.00 0.00 O ATOM 2143 CB GLU A 141 17.421 -6.993 -22.657 1.00 0.00 C ATOM 2144 CG GLU A 141 18.890 -7.061 -23.049 1.00 0.00 C ATOM 2145 CD GLU A 141 19.154 -8.099 -24.116 1.00 0.00 C ATOM 2146 OE1 GLU A 141 19.163 -9.302 -23.792 1.00 0.00 O ATOM 2147 OE2 GLU A 141 19.342 -7.713 -25.290 1.00 0.00 O ATOM 0 H GLU A 141 15.049 -6.281 -21.991 1.00 0.00 H new ATOM 0 HA GLU A 141 17.739 -5.844 -20.886 1.00 0.00 H new ATOM 0 HB2 GLU A 141 17.147 -7.920 -22.154 1.00 0.00 H new ATOM 0 HB3 GLU A 141 16.817 -6.931 -23.562 1.00 0.00 H new ATOM 0 HG2 GLU A 141 19.213 -6.084 -23.409 1.00 0.00 H new ATOM 0 HG3 GLU A 141 19.488 -7.290 -22.167 1.00 0.00 H new ATOM 2154 N VAL A 142 16.979 -4.501 -23.787 1.00 0.00 N ATOM 2155 CA VAL A 142 17.063 -3.310 -24.634 1.00 0.00 C ATOM 2156 C VAL A 142 18.387 -2.571 -24.426 1.00 0.00 C ATOM 2157 O VAL A 142 19.398 -2.986 -25.030 1.00 0.00 O ATOM 2158 CB VAL A 142 15.874 -2.350 -24.387 1.00 0.00 C ATOM 2159 CG1 VAL A 142 15.877 -1.205 -25.390 1.00 0.00 C ATOM 2160 CG2 VAL A 142 14.553 -3.107 -24.445 1.00 0.00 C ATOM 2161 OXT VAL A 142 18.420 -1.591 -23.651 1.00 0.00 O ATOM 0 H VAL A 142 16.677 -5.338 -24.286 1.00 0.00 H new ATOM 0 HA VAL A 142 17.016 -3.652 -25.668 1.00 0.00 H new ATOM 0 HB VAL A 142 15.987 -1.925 -23.390 1.00 0.00 H new ATOM 0 HG11 VAL A 142 15.031 -0.546 -25.193 1.00 0.00 H new ATOM 0 HG12 VAL A 142 16.805 -0.641 -25.296 1.00 0.00 H new ATOM 0 HG13 VAL A 142 15.797 -1.606 -26.400 1.00 0.00 H new ATOM 0 HG21 VAL A 142 13.729 -2.415 -24.269 1.00 0.00 H new ATOM 0 HG22 VAL A 142 14.439 -3.565 -25.428 1.00 0.00 H new ATOM 0 HG23 VAL A 142 14.545 -3.883 -23.680 1.00 0.00 H new TER 2171 VAL A 142