USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 890 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 22 SER OG : rot -65:sc= 1.2 USER MOD Set 1.2: A 82 THR OG1 : rot 170:sc= 0.935 USER MOD Set 1.3: A 101 GLN : amide:sc= 2.1 K(o=4.2,f=2.3) USER MOD Set 2.1: A 75 SER OG : rot -129:sc= 1.35 USER MOD Set 2.2: A 77 SER OG : rot 180:sc= 0.0137 USER MOD Set 3.1: A 61 LYS NZ :NH3+ 173:sc= 0.803 (180deg=0) USER MOD Set 3.2: A 74 GLN : amide:sc= 0.627 K(o=0.96,f=-1.8) USER MOD Set 3.3: A 105 HIS : no HD1:sc= -0.47 K(o=0.96,f=0.3) USER MOD Set 4.1: A 62 LYS NZ :NH3+ 169:sc= 0.00741 (180deg=-0.263) USER MOD Set 4.2: A 70 THR OG1 : rot 180:sc= 0.131 USER MOD Set 4.3: A 71 ASN : amide:sc= 1.36 K(o=1.5,f=-2.5) USER MOD Set 5.1: A 36 THR OG1 : rot 88:sc= 0.889 USER MOD Set 5.2: A 92 TYR OH : rot 180:sc= 0.604 USER MOD Set 6.1: A 11 GLN : amide:sc= 0.373 K(o=-0.041,f=-6.6!) USER MOD Set 6.2: A 35 MET CE :methyl 137:sc= -0.414 (180deg=-0.000505) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 HIS : no HE2:sc= -0.0234 K(o=-0.023,f=-3!) USER MOD Single : A 13 MET CE :methyl -136:sc= 0 (180deg=-0.0922) USER MOD Single : A 15 SER OG : rot 52:sc= 0.312 USER MOD Single : A 17 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.21) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0.16 USER MOD Single : A 24 ASN : amide:sc= 0.146 X(o=0.15,f=-0.0086) USER MOD Single : A 25 TYR OH : rot 19:sc= 1.71 USER MOD Single : A 27 ASN : amide:sc= 0.89 K(o=0.89,f=-4.8!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -173:sc= -1.59 (180deg=-1.69) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.482 X(o=-0.48,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -167:sc=-0.00142 (180deg=-0.152) USER MOD Single : A 44 ASN : amide:sc= 0.693 K(o=0.69,f=-6!) USER MOD Single : A 45 THR OG1 : rot -85:sc= 1.03 USER MOD Single : A 48 HIS : no HD1:sc= -0.818 K(o=-0.82,f=-2.8) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.114) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0891 K(o=-0.089,f=-1.3) USER MOD Single : A 64 THR OG1 : rot -100:sc= -0.401 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0404 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -84:sc= 1.19 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0.314 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 TYR OH : rot 30:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0265) USER MOD Single : A 99 THR OG1 : rot -175:sc= 0.209 USER MOD Single : A 100 THR OG1 : rot -170:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0277) USER MOD Single : A 113 LYS NZ :NH3+ -173:sc= -0.621 (180deg=-0.76) USER MOD Single : A 115 SER OG : rot 58:sc= 0.141 USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 123 SER OG : rot 180:sc= 0.0856 USER MOD ----------------------------------------------------------------- ATOM 40 N SER A 3 -9.305 -13.180 6.580 1.00 0.00 N ATOM 41 CA SER A 3 -9.412 -12.705 7.950 1.00 0.00 C ATOM 42 C SER A 3 -8.114 -11.962 8.257 1.00 0.00 C ATOM 43 O SER A 3 -7.378 -12.285 9.184 1.00 0.00 O ATOM 44 CB SER A 3 -9.673 -13.894 8.876 1.00 0.00 C ATOM 45 OG SER A 3 -10.119 -13.444 10.141 1.00 0.00 O ATOM 0 HA SER A 3 -10.247 -12.021 8.100 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.421 -14.552 8.432 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.761 -14.480 8.992 1.00 0.00 H new ATOM 0 HG SER A 3 -10.284 -14.215 10.723 1.00 0.00 H new ATOM 51 N ALA A 4 -7.816 -11.000 7.381 1.00 0.00 N ATOM 52 CA ALA A 4 -6.529 -10.333 7.275 1.00 0.00 C ATOM 53 C ALA A 4 -6.586 -9.399 6.071 1.00 0.00 C ATOM 54 O ALA A 4 -6.428 -8.183 6.185 1.00 0.00 O ATOM 55 CB ALA A 4 -5.442 -11.388 7.038 1.00 0.00 C ATOM 0 H ALA A 4 -8.495 -10.655 6.702 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.306 -9.775 8.184 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.471 -10.899 6.957 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.426 -12.088 7.873 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.654 -11.928 6.115 1.00 0.00 H new ATOM 61 N ALA A 5 -6.841 -9.995 4.903 1.00 0.00 N ATOM 62 CA ALA A 5 -6.740 -9.292 3.635 1.00 0.00 C ATOM 63 C ALA A 5 -7.748 -8.144 3.531 1.00 0.00 C ATOM 64 O ALA A 5 -7.492 -7.176 2.824 1.00 0.00 O ATOM 65 CB ALA A 5 -6.805 -10.260 2.450 1.00 0.00 C ATOM 0 H ALA A 5 -7.121 -10.972 4.817 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.756 -8.824 3.596 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.727 -9.700 1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.982 -10.972 2.516 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.753 -10.798 2.471 1.00 0.00 H new ATOM 71 N ALA A 6 -8.863 -8.213 4.269 1.00 0.00 N ATOM 72 CA ALA A 6 -9.837 -7.127 4.309 1.00 0.00 C ATOM 73 C ALA A 6 -9.208 -5.893 4.956 1.00 0.00 C ATOM 74 O ALA A 6 -9.152 -4.819 4.368 1.00 0.00 O ATOM 75 CB ALA A 6 -11.084 -7.562 5.087 1.00 0.00 C ATOM 0 H ALA A 6 -9.109 -9.016 4.848 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.136 -6.878 3.291 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.803 -6.743 5.110 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.534 -8.427 4.599 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.803 -7.826 6.106 1.00 0.00 H new ATOM 81 N LYS A 7 -8.725 -6.067 6.186 1.00 0.00 N ATOM 82 CA LYS A 7 -8.064 -5.036 6.961 1.00 0.00 C ATOM 83 C LYS A 7 -6.862 -4.482 6.193 1.00 0.00 C ATOM 84 O LYS A 7 -6.672 -3.269 6.122 1.00 0.00 O ATOM 85 CB LYS A 7 -7.690 -5.639 8.323 1.00 0.00 C ATOM 86 CG LYS A 7 -8.941 -5.716 9.212 1.00 0.00 C ATOM 87 CD LYS A 7 -8.688 -6.388 10.568 1.00 0.00 C ATOM 88 CE LYS A 7 -8.540 -7.911 10.445 1.00 0.00 C ATOM 89 NZ LYS A 7 -8.464 -8.547 11.771 1.00 0.00 N ATOM 0 H LYS A 7 -8.788 -6.958 6.678 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.722 -4.184 7.133 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.266 -6.634 8.188 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.926 -5.029 8.805 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.320 -4.708 9.380 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.720 -6.265 8.683 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.784 -5.972 11.014 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.512 -6.159 11.244 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.386 -8.318 9.892 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.642 -8.147 9.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.364 -9.576 11.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.642 -8.175 12.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.332 -8.340 12.305 1.00 0.00 H new ATOM 103 N PHE A 8 -6.073 -5.369 5.583 1.00 0.00 N ATOM 104 CA PHE A 8 -4.987 -4.974 4.696 1.00 0.00 C ATOM 105 C PHE A 8 -5.504 -4.066 3.570 1.00 0.00 C ATOM 106 O PHE A 8 -5.087 -2.912 3.456 1.00 0.00 O ATOM 107 CB PHE A 8 -4.324 -6.241 4.150 1.00 0.00 C ATOM 108 CG PHE A 8 -3.190 -6.019 3.164 1.00 0.00 C ATOM 109 CD1 PHE A 8 -2.126 -5.155 3.483 1.00 0.00 C ATOM 110 CD2 PHE A 8 -3.206 -6.670 1.915 1.00 0.00 C ATOM 111 CE1 PHE A 8 -1.108 -4.912 2.546 1.00 0.00 C ATOM 112 CE2 PHE A 8 -2.176 -6.442 0.987 1.00 0.00 C ATOM 113 CZ PHE A 8 -1.124 -5.569 1.305 1.00 0.00 C ATOM 0 H PHE A 8 -6.172 -6.378 5.692 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.246 -4.394 5.245 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.942 -6.820 4.991 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.088 -6.849 3.666 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.092 -4.677 4.451 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.012 -7.346 1.670 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.313 -4.220 2.780 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.194 -6.939 0.028 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.327 -5.403 0.595 1.00 0.00 H new ATOM 123 N GLU A 9 -6.431 -4.582 2.753 1.00 0.00 N ATOM 124 CA GLU A 9 -7.041 -3.864 1.639 1.00 0.00 C ATOM 125 C GLU A 9 -7.473 -2.471 2.089 1.00 0.00 C ATOM 126 O GLU A 9 -7.017 -1.482 1.528 1.00 0.00 O ATOM 127 CB GLU A 9 -8.240 -4.653 1.089 1.00 0.00 C ATOM 128 CG GLU A 9 -8.948 -3.932 -0.074 1.00 0.00 C ATOM 129 CD GLU A 9 -10.459 -4.143 -0.031 1.00 0.00 C ATOM 130 OE1 GLU A 9 -11.072 -3.647 0.939 1.00 0.00 O ATOM 131 OE2 GLU A 9 -10.974 -4.788 -0.968 1.00 0.00 O ATOM 0 H GLU A 9 -6.783 -5.534 2.855 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.306 -3.758 0.841 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.900 -5.632 0.750 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.956 -4.825 1.893 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.728 -2.865 -0.029 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.556 -4.299 -1.023 1.00 0.00 H new ATOM 138 N ARG A 10 -8.333 -2.403 3.106 1.00 0.00 N ATOM 139 CA ARG A 10 -8.900 -1.173 3.638 1.00 0.00 C ATOM 140 C ARG A 10 -7.845 -0.082 3.848 1.00 0.00 C ATOM 141 O ARG A 10 -8.133 1.099 3.673 1.00 0.00 O ATOM 142 CB ARG A 10 -9.588 -1.506 4.965 1.00 0.00 C ATOM 143 CG ARG A 10 -10.898 -2.284 4.761 1.00 0.00 C ATOM 144 CD ARG A 10 -12.099 -1.358 4.542 1.00 0.00 C ATOM 145 NE ARG A 10 -12.422 -0.610 5.764 1.00 0.00 N ATOM 146 CZ ARG A 10 -13.435 0.258 5.882 1.00 0.00 C ATOM 147 NH1 ARG A 10 -14.236 0.508 4.842 1.00 0.00 N ATOM 148 NH2 ARG A 10 -13.641 0.874 7.051 1.00 0.00 N ATOM 0 H ARG A 10 -8.663 -3.235 3.596 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.613 -0.776 2.915 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.911 -2.094 5.586 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.796 -0.583 5.506 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.793 -2.948 3.903 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.082 -2.914 5.631 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.882 -0.661 3.733 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.963 -1.946 4.233 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.832 -0.763 6.582 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.078 0.037 3.951 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.006 1.170 4.939 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.029 0.681 7.844 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.410 1.537 7.150 1.00 0.00 H new ATOM 162 N GLN A 11 -6.637 -0.477 4.253 1.00 0.00 N ATOM 163 CA GLN A 11 -5.547 0.439 4.544 1.00 0.00 C ATOM 164 C GLN A 11 -4.652 0.678 3.317 1.00 0.00 C ATOM 165 O GLN A 11 -3.994 1.713 3.245 1.00 0.00 O ATOM 166 CB GLN A 11 -4.742 -0.148 5.711 1.00 0.00 C ATOM 167 CG GLN A 11 -5.582 -0.276 6.991 1.00 0.00 C ATOM 168 CD GLN A 11 -5.799 1.071 7.670 1.00 0.00 C ATOM 169 OE1 GLN A 11 -6.782 1.765 7.428 1.00 0.00 O ATOM 170 NE2 GLN A 11 -4.883 1.457 8.551 1.00 0.00 N ATOM 0 H GLN A 11 -6.391 -1.458 4.388 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.953 1.414 4.814 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.361 -1.130 5.429 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.877 0.485 5.908 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.548 -0.719 6.748 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.085 -0.955 7.684 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.073 0.865 8.737 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.989 2.345 9.041 1.00 0.00 H new ATOM 179 N HIS A 12 -4.590 -0.284 2.386 1.00 0.00 N ATOM 180 CA HIS A 12 -3.597 -0.314 1.313 1.00 0.00 C ATOM 181 C HIS A 12 -4.139 0.060 -0.074 1.00 0.00 C ATOM 182 O HIS A 12 -3.389 0.540 -0.923 1.00 0.00 O ATOM 183 CB HIS A 12 -2.983 -1.719 1.270 1.00 0.00 C ATOM 184 CG HIS A 12 -1.858 -1.842 0.276 1.00 0.00 C ATOM 185 ND1 HIS A 12 -0.928 -0.860 -0.011 1.00 0.00 N ATOM 186 CD2 HIS A 12 -1.672 -2.876 -0.598 1.00 0.00 C ATOM 187 CE1 HIS A 12 -0.172 -1.305 -1.030 1.00 0.00 C ATOM 188 NE2 HIS A 12 -0.610 -2.522 -1.404 1.00 0.00 N ATOM 0 H HIS A 12 -5.238 -1.071 2.360 1.00 0.00 H new ATOM 0 HA HIS A 12 -2.856 0.451 1.545 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -2.613 -1.978 2.262 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.760 -2.441 1.021 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -0.833 0.038 0.464 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -2.244 -3.791 -0.648 1.00 0.00 H new ATOM 0 HE1 HIS A 12 0.654 -0.772 -1.477 1.00 0.00 H new ATOM 197 N MET A 13 -5.408 -0.219 -0.356 1.00 0.00 N ATOM 198 CA MET A 13 -5.994 -0.087 -1.680 1.00 0.00 C ATOM 199 C MET A 13 -7.246 0.760 -1.529 1.00 0.00 C ATOM 200 O MET A 13 -8.107 0.430 -0.716 1.00 0.00 O ATOM 201 CB MET A 13 -6.282 -1.487 -2.226 1.00 0.00 C ATOM 202 CG MET A 13 -6.674 -1.486 -3.708 1.00 0.00 C ATOM 203 SD MET A 13 -7.623 -2.942 -4.186 1.00 0.00 S ATOM 204 CE MET A 13 -9.227 -2.433 -3.523 1.00 0.00 C ATOM 0 H MET A 13 -6.069 -0.550 0.347 1.00 0.00 H new ATOM 0 HA MET A 13 -5.329 0.402 -2.392 1.00 0.00 H new ATOM 0 HB2 MET A 13 -5.399 -2.112 -2.090 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.085 -1.939 -1.644 1.00 0.00 H new ATOM 0 HG2 MET A 13 -7.258 -0.591 -3.923 1.00 0.00 H new ATOM 0 HG3 MET A 13 -5.772 -1.431 -4.317 1.00 0.00 H new ATOM 0 HE1 MET A 13 -9.689 -3.272 -3.003 1.00 0.00 H new ATOM 0 HE2 MET A 13 -9.087 -1.607 -2.826 1.00 0.00 H new ATOM 0 HE3 MET A 13 -9.873 -2.112 -4.340 1.00 0.00 H new ATOM 214 N ASP A 14 -7.328 1.861 -2.282 1.00 0.00 N ATOM 215 CA ASP A 14 -8.318 2.900 -2.021 1.00 0.00 C ATOM 216 C ASP A 14 -9.163 3.233 -3.246 1.00 0.00 C ATOM 217 O ASP A 14 -9.857 4.246 -3.222 1.00 0.00 O ATOM 218 CB ASP A 14 -7.620 4.165 -1.489 1.00 0.00 C ATOM 219 CG ASP A 14 -6.785 3.922 -0.233 1.00 0.00 C ATOM 220 OD1 ASP A 14 -5.683 3.347 -0.382 1.00 0.00 O ATOM 221 OD2 ASP A 14 -7.248 4.341 0.849 1.00 0.00 O ATOM 0 H ASP A 14 -6.718 2.052 -3.077 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.003 2.512 -1.267 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.976 4.570 -2.270 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.374 4.922 -1.273 1.00 0.00 H new ATOM 226 N SER A 15 -9.097 2.391 -4.286 1.00 0.00 N ATOM 227 CA SER A 15 -9.831 2.499 -5.548 1.00 0.00 C ATOM 228 C SER A 15 -10.224 3.947 -5.867 1.00 0.00 C ATOM 229 O SER A 15 -11.409 4.280 -5.857 1.00 0.00 O ATOM 230 CB SER A 15 -11.052 1.570 -5.503 1.00 0.00 C ATOM 231 OG SER A 15 -11.890 1.931 -4.422 1.00 0.00 O ATOM 0 H SER A 15 -8.494 1.569 -4.265 1.00 0.00 H new ATOM 0 HA SER A 15 -9.177 2.184 -6.361 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.604 1.635 -6.440 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.729 0.535 -5.394 1.00 0.00 H new ATOM 0 HG SER A 15 -12.089 2.889 -4.469 1.00 0.00 H new ATOM 237 N GLY A 16 -9.219 4.804 -6.076 1.00 0.00 N ATOM 238 CA GLY A 16 -9.403 6.237 -6.171 1.00 0.00 C ATOM 239 C GLY A 16 -10.016 6.654 -7.502 1.00 0.00 C ATOM 240 O GLY A 16 -10.656 5.868 -8.203 1.00 0.00 O ATOM 0 H GLY A 16 -8.249 4.509 -6.184 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.045 6.573 -5.357 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.441 6.734 -6.045 1.00 0.00 H new ATOM 244 N ASN A 17 -9.790 7.909 -7.882 1.00 0.00 N ATOM 245 CA ASN A 17 -10.390 8.478 -9.079 1.00 0.00 C ATOM 246 C ASN A 17 -9.627 9.724 -9.516 1.00 0.00 C ATOM 247 O ASN A 17 -9.131 10.464 -8.666 1.00 0.00 O ATOM 248 CB ASN A 17 -11.859 8.824 -8.804 1.00 0.00 C ATOM 249 CG ASN A 17 -12.519 9.417 -10.042 1.00 0.00 C ATOM 250 OD1 ASN A 17 -12.629 10.630 -10.174 1.00 0.00 O ATOM 251 ND2 ASN A 17 -12.928 8.569 -10.980 1.00 0.00 N ATOM 0 H ASN A 17 -9.189 8.555 -7.370 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.340 7.745 -9.884 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.396 7.927 -8.495 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.921 9.533 -7.979 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.347 8.923 -11.840 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.822 7.564 -10.840 1.00 0.00 H new ATOM 258 N SER A 18 -9.574 9.943 -10.834 1.00 0.00 N ATOM 259 CA SER A 18 -9.041 11.128 -11.495 1.00 0.00 C ATOM 260 C SER A 18 -7.504 11.149 -11.496 1.00 0.00 C ATOM 261 O SER A 18 -6.888 10.882 -10.462 1.00 0.00 O ATOM 262 CB SER A 18 -9.626 12.411 -10.884 1.00 0.00 C ATOM 263 OG SER A 18 -9.341 13.513 -11.721 1.00 0.00 O ATOM 0 H SER A 18 -9.923 9.256 -11.502 1.00 0.00 H new ATOM 0 HA SER A 18 -9.352 11.084 -12.539 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.704 12.307 -10.759 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.205 12.577 -9.892 1.00 0.00 H new ATOM 0 HG SER A 18 -9.717 14.328 -11.328 1.00 0.00 H new ATOM 305 N SER A 22 -0.380 14.635 -6.625 1.00 0.00 N ATOM 306 CA SER A 22 0.322 13.618 -5.858 1.00 0.00 C ATOM 307 C SER A 22 0.318 13.979 -4.370 1.00 0.00 C ATOM 308 O SER A 22 -0.337 13.317 -3.564 1.00 0.00 O ATOM 309 CB SER A 22 1.739 13.452 -6.429 1.00 0.00 C ATOM 310 OG SER A 22 1.693 13.441 -7.842 1.00 0.00 O ATOM 0 HA SER A 22 -0.186 12.657 -5.943 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.377 14.266 -6.084 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.181 12.525 -6.064 1.00 0.00 H new ATOM 0 HG SER A 22 1.196 12.654 -8.147 1.00 0.00 H new ATOM 316 N SER A 23 1.060 15.027 -3.998 1.00 0.00 N ATOM 317 CA SER A 23 1.234 15.500 -2.630 1.00 0.00 C ATOM 318 C SER A 23 -0.121 15.619 -1.938 1.00 0.00 C ATOM 319 O SER A 23 -0.435 14.919 -0.973 1.00 0.00 O ATOM 320 CB SER A 23 1.927 16.865 -2.704 1.00 0.00 C ATOM 321 OG SER A 23 1.339 17.625 -3.751 1.00 0.00 O ATOM 0 H SER A 23 1.576 15.590 -4.675 1.00 0.00 H new ATOM 0 HA SER A 23 1.837 14.800 -2.051 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.826 17.391 -1.754 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.994 16.736 -2.885 1.00 0.00 H new ATOM 0 HG SER A 23 1.775 18.501 -3.804 1.00 0.00 H new ATOM 327 N ASN A 24 -0.928 16.528 -2.479 1.00 0.00 N ATOM 328 CA ASN A 24 -2.223 16.867 -1.924 1.00 0.00 C ATOM 329 C ASN A 24 -3.120 15.640 -1.836 1.00 0.00 C ATOM 330 O ASN A 24 -3.861 15.521 -0.868 1.00 0.00 O ATOM 331 CB ASN A 24 -2.878 17.993 -2.735 1.00 0.00 C ATOM 332 CG ASN A 24 -3.953 18.777 -1.973 1.00 0.00 C ATOM 333 OD1 ASN A 24 -4.055 19.987 -2.142 1.00 0.00 O ATOM 334 ND2 ASN A 24 -4.766 18.141 -1.134 1.00 0.00 N ATOM 0 H ASN A 24 -0.694 17.051 -3.323 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.077 17.232 -0.907 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.104 18.686 -3.063 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.325 17.566 -3.633 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.481 18.660 -0.625 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.674 17.134 -1.000 1.00 0.00 H new ATOM 341 N TYR A 25 -3.065 14.733 -2.814 1.00 0.00 N ATOM 342 CA TYR A 25 -3.868 13.518 -2.776 1.00 0.00 C ATOM 343 C TYR A 25 -3.544 12.719 -1.510 1.00 0.00 C ATOM 344 O TYR A 25 -4.450 12.270 -0.811 1.00 0.00 O ATOM 345 CB TYR A 25 -3.635 12.695 -4.052 1.00 0.00 C ATOM 346 CG TYR A 25 -4.829 11.886 -4.533 1.00 0.00 C ATOM 347 CD1 TYR A 25 -5.832 12.522 -5.286 1.00 0.00 C ATOM 348 CD2 TYR A 25 -4.874 10.487 -4.361 1.00 0.00 C ATOM 349 CE1 TYR A 25 -6.838 11.765 -5.916 1.00 0.00 C ATOM 350 CE2 TYR A 25 -5.894 9.733 -4.973 1.00 0.00 C ATOM 351 CZ TYR A 25 -6.856 10.367 -5.781 1.00 0.00 C ATOM 352 OH TYR A 25 -7.777 9.627 -6.467 1.00 0.00 O ATOM 0 H TYR A 25 -2.472 14.821 -3.639 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.926 13.777 -2.741 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.331 13.372 -4.850 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.802 12.014 -3.878 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.831 13.598 -5.382 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.125 9.993 -3.759 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.597 12.260 -6.504 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -5.938 8.665 -4.822 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.135 10.157 -7.210 1.00 0.00 H new ATOM 362 N CYS A 26 -2.253 12.579 -1.191 1.00 0.00 N ATOM 363 CA CYS A 26 -1.826 11.817 -0.018 1.00 0.00 C ATOM 364 C CYS A 26 -2.210 12.562 1.254 1.00 0.00 C ATOM 365 O CYS A 26 -2.907 12.013 2.102 1.00 0.00 O ATOM 366 CB CYS A 26 -0.324 11.552 -0.042 1.00 0.00 C ATOM 367 SG CYS A 26 0.306 10.789 1.469 1.00 0.00 S ATOM 0 H CYS A 26 -1.488 12.984 -1.730 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.334 10.853 -0.038 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.092 10.905 -0.888 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.199 12.494 -0.208 1.00 0.00 H new ATOM 372 N ASN A 27 -1.784 13.822 1.393 1.00 0.00 N ATOM 373 CA ASN A 27 -2.106 14.593 2.592 1.00 0.00 C ATOM 374 C ASN A 27 -3.627 14.636 2.817 1.00 0.00 C ATOM 375 O ASN A 27 -4.083 14.477 3.947 1.00 0.00 O ATOM 376 CB ASN A 27 -1.475 15.998 2.546 1.00 0.00 C ATOM 377 CG ASN A 27 -0.302 16.147 3.522 1.00 0.00 C ATOM 378 OD1 ASN A 27 0.857 16.021 3.140 1.00 0.00 O ATOM 379 ND2 ASN A 27 -0.583 16.438 4.791 1.00 0.00 N ATOM 0 H ASN A 27 -1.225 14.321 0.701 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.667 14.089 3.453 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.129 16.204 1.533 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.236 16.742 2.781 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.172 16.560 5.465 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.554 16.539 5.088 1.00 0.00 H new ATOM 386 N LEU A 28 -4.413 14.808 1.747 1.00 0.00 N ATOM 387 CA LEU A 28 -5.870 14.764 1.798 1.00 0.00 C ATOM 388 C LEU A 28 -6.352 13.404 2.292 1.00 0.00 C ATOM 389 O LEU A 28 -7.096 13.350 3.267 1.00 0.00 O ATOM 390 CB LEU A 28 -6.478 15.086 0.424 1.00 0.00 C ATOM 391 CG LEU A 28 -8.007 14.930 0.358 1.00 0.00 C ATOM 392 CD1 LEU A 28 -8.727 15.872 1.332 1.00 0.00 C ATOM 393 CD2 LEU A 28 -8.477 15.220 -1.072 1.00 0.00 C ATOM 0 H LEU A 28 -4.045 14.984 0.812 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.205 15.524 2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.217 16.109 0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.025 14.434 -0.323 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.253 13.908 0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.804 15.726 1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.408 15.655 2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.481 16.905 1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.560 15.112 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.199 16.238 -1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.006 14.517 -1.759 1.00 0.00 H new ATOM 405 N MET A 29 -5.968 12.316 1.610 1.00 0.00 N ATOM 406 CA MET A 29 -6.364 10.967 1.995 1.00 0.00 C ATOM 407 C MET A 29 -6.093 10.761 3.484 1.00 0.00 C ATOM 408 O MET A 29 -6.993 10.411 4.242 1.00 0.00 O ATOM 409 CB MET A 29 -5.605 9.921 1.162 1.00 0.00 C ATOM 410 CG MET A 29 -6.101 9.812 -0.287 1.00 0.00 C ATOM 411 SD MET A 29 -7.017 8.301 -0.703 1.00 0.00 S ATOM 412 CE MET A 29 -8.420 8.423 0.427 1.00 0.00 C ATOM 0 H MET A 29 -5.376 12.353 0.780 1.00 0.00 H new ATOM 0 HA MET A 29 -7.430 10.842 1.804 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.545 10.173 1.156 1.00 0.00 H new ATOM 0 HB3 MET A 29 -5.699 8.948 1.644 1.00 0.00 H new ATOM 0 HG2 MET A 29 -6.740 10.670 -0.497 1.00 0.00 H new ATOM 0 HG3 MET A 29 -5.240 9.886 -0.951 1.00 0.00 H new ATOM 0 HE1 MET A 29 -9.075 7.562 0.289 1.00 0.00 H new ATOM 0 HE2 MET A 29 -8.058 8.442 1.455 1.00 0.00 H new ATOM 0 HE3 MET A 29 -8.975 9.338 0.220 1.00 0.00 H new ATOM 422 N MET A 30 -4.851 10.991 3.905 1.00 0.00 N ATOM 423 CA MET A 30 -4.421 10.751 5.271 1.00 0.00 C ATOM 424 C MET A 30 -5.203 11.624 6.249 1.00 0.00 C ATOM 425 O MET A 30 -5.680 11.120 7.265 1.00 0.00 O ATOM 426 CB MET A 30 -2.908 10.954 5.387 1.00 0.00 C ATOM 427 CG MET A 30 -2.090 9.756 4.884 1.00 0.00 C ATOM 428 SD MET A 30 -2.406 9.118 3.218 1.00 0.00 S ATOM 429 CE MET A 30 -3.700 7.883 3.506 1.00 0.00 C ATOM 0 H MET A 30 -4.113 11.352 3.300 1.00 0.00 H new ATOM 0 HA MET A 30 -4.635 9.716 5.538 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.624 11.841 4.821 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.654 11.146 6.429 1.00 0.00 H new ATOM 0 HG2 MET A 30 -1.036 10.030 4.937 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.242 8.936 5.585 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.891 7.335 2.584 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.374 7.188 4.280 1.00 0.00 H new ATOM 0 HE3 MET A 30 -4.614 8.382 3.828 1.00 0.00 H new ATOM 439 N CYS A 31 -5.345 12.918 5.952 1.00 0.00 N ATOM 440 CA CYS A 31 -6.140 13.823 6.775 1.00 0.00 C ATOM 441 C CYS A 31 -7.565 13.290 6.928 1.00 0.00 C ATOM 442 O CYS A 31 -8.030 13.075 8.043 1.00 0.00 O ATOM 443 CB CYS A 31 -6.147 15.228 6.173 1.00 0.00 C ATOM 444 SG CYS A 31 -7.266 16.254 7.155 1.00 0.00 S ATOM 0 H CYS A 31 -4.915 13.362 5.141 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.688 13.880 7.765 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.142 15.649 6.178 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.474 15.195 5.134 1.00 0.00 H new ATOM 0 HG CYS A 31 -7.291 17.459 6.667 1.00 0.00 H new ATOM 450 N CYS A 32 -8.243 13.030 5.810 1.00 0.00 N ATOM 451 CA CYS A 32 -9.603 12.500 5.785 1.00 0.00 C ATOM 452 C CYS A 32 -9.714 11.219 6.614 1.00 0.00 C ATOM 453 O CYS A 32 -10.606 11.086 7.450 1.00 0.00 O ATOM 454 CB CYS A 32 -10.026 12.246 4.336 1.00 0.00 C ATOM 455 SG CYS A 32 -11.663 11.480 4.339 1.00 0.00 S ATOM 0 H CYS A 32 -7.854 13.185 4.880 1.00 0.00 H new ATOM 0 HA CYS A 32 -10.273 13.236 6.230 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -10.048 13.182 3.779 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -9.305 11.596 3.840 1.00 0.00 H new ATOM 0 HG CYS A 32 -12.041 11.258 3.115 1.00 0.00 H new ATOM 461 N ARG A 33 -8.776 10.290 6.411 1.00 0.00 N ATOM 462 CA ARG A 33 -8.726 9.016 7.119 1.00 0.00 C ATOM 463 C ARG A 33 -8.308 9.205 8.592 1.00 0.00 C ATOM 464 O ARG A 33 -8.331 8.252 9.370 1.00 0.00 O ATOM 465 CB ARG A 33 -7.802 8.048 6.333 1.00 0.00 C ATOM 466 CG ARG A 33 -8.303 6.587 6.252 1.00 0.00 C ATOM 467 CD ARG A 33 -7.431 5.567 6.993 1.00 0.00 C ATOM 468 NE ARG A 33 -7.401 5.881 8.421 1.00 0.00 N ATOM 469 CZ ARG A 33 -7.329 5.043 9.460 1.00 0.00 C ATOM 470 NH1 ARG A 33 -7.174 3.723 9.304 1.00 0.00 N ATOM 471 NH2 ARG A 33 -7.429 5.577 10.680 1.00 0.00 N ATOM 0 H ARG A 33 -8.019 10.408 5.738 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.720 8.571 7.163 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.678 8.430 5.320 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.816 8.053 6.798 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.314 6.541 6.656 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.366 6.297 5.203 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.824 4.562 6.841 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.419 5.578 6.588 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.440 6.873 8.656 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.107 3.325 8.367 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.123 3.115 10.122 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.554 6.584 10.787 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.380 4.978 11.504 1.00 0.00 H new ATOM 485 N LYS A 34 -7.897 10.413 8.999 1.00 0.00 N ATOM 486 CA LYS A 34 -7.328 10.686 10.314 1.00 0.00 C ATOM 487 C LYS A 34 -6.056 9.858 10.549 1.00 0.00 C ATOM 488 O LYS A 34 -5.640 9.646 11.686 1.00 0.00 O ATOM 489 CB LYS A 34 -8.398 10.525 11.419 1.00 0.00 C ATOM 490 CG LYS A 34 -8.720 11.842 12.141 1.00 0.00 C ATOM 491 CD LYS A 34 -9.444 12.832 11.219 1.00 0.00 C ATOM 492 CE LYS A 34 -9.785 14.124 11.968 1.00 0.00 C ATOM 493 NZ LYS A 34 -10.413 15.109 11.070 1.00 0.00 N ATOM 0 H LYS A 34 -7.954 11.241 8.407 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.010 11.728 10.357 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.311 10.127 10.977 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.051 9.793 12.148 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.340 11.637 13.013 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.797 12.292 12.505 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.815 13.060 10.358 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.357 12.377 10.835 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.458 13.901 12.796 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.878 14.548 12.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.633 15.974 11.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.759 15.338 10.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.290 14.711 10.678 1.00 0.00 H new ATOM 507 N MET A 35 -5.375 9.454 9.471 1.00 0.00 N ATOM 508 CA MET A 35 -4.119 8.718 9.554 1.00 0.00 C ATOM 509 C MET A 35 -2.996 9.598 10.103 1.00 0.00 C ATOM 510 O MET A 35 -1.955 9.093 10.512 1.00 0.00 O ATOM 511 CB MET A 35 -3.749 8.139 8.178 1.00 0.00 C ATOM 512 CG MET A 35 -3.817 6.611 8.207 1.00 0.00 C ATOM 513 SD MET A 35 -2.611 5.812 9.296 1.00 0.00 S ATOM 514 CE MET A 35 -3.273 4.138 9.252 1.00 0.00 C ATOM 0 H MET A 35 -5.685 9.631 8.515 1.00 0.00 H new ATOM 0 HA MET A 35 -4.253 7.890 10.251 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.429 8.525 7.419 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.745 8.460 7.899 1.00 0.00 H new ATOM 0 HG2 MET A 35 -4.818 6.313 8.518 1.00 0.00 H new ATOM 0 HG3 MET A 35 -3.673 6.237 7.194 1.00 0.00 H new ATOM 0 HE1 MET A 35 -2.454 3.426 9.149 1.00 0.00 H new ATOM 0 HE2 MET A 35 -3.815 3.937 10.176 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.951 4.037 8.404 1.00 0.00 H new ATOM 524 N THR A 36 -3.203 10.916 10.101 1.00 0.00 N ATOM 525 CA THR A 36 -2.279 11.878 10.662 1.00 0.00 C ATOM 526 C THR A 36 -2.458 12.014 12.181 1.00 0.00 C ATOM 527 O THR A 36 -1.662 12.692 12.829 1.00 0.00 O ATOM 528 CB THR A 36 -2.522 13.219 9.955 1.00 0.00 C ATOM 529 OG1 THR A 36 -3.824 13.702 10.244 1.00 0.00 O ATOM 530 CG2 THR A 36 -2.445 13.073 8.432 1.00 0.00 C ATOM 0 H THR A 36 -4.037 11.344 9.699 1.00 0.00 H new ATOM 0 HA THR A 36 -1.253 11.544 10.504 1.00 0.00 H new ATOM 0 HB THR A 36 -1.751 13.901 10.313 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.799 14.240 11.063 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.622 14.042 7.964 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.457 12.709 8.151 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.202 12.364 8.096 1.00 0.00 H new ATOM 538 N GLN A 37 -3.536 11.449 12.743 1.00 0.00 N ATOM 539 CA GLN A 37 -3.931 11.670 14.125 1.00 0.00 C ATOM 540 C GLN A 37 -2.808 11.284 15.087 1.00 0.00 C ATOM 541 O GLN A 37 -2.270 10.180 15.022 1.00 0.00 O ATOM 542 CB GLN A 37 -5.218 10.886 14.400 1.00 0.00 C ATOM 543 CG GLN A 37 -5.767 11.096 15.817 1.00 0.00 C ATOM 544 CD GLN A 37 -7.182 10.547 15.991 1.00 0.00 C ATOM 545 OE1 GLN A 37 -7.908 10.982 16.878 1.00 0.00 O ATOM 546 NE2 GLN A 37 -7.605 9.603 15.153 1.00 0.00 N ATOM 0 H GLN A 37 -4.160 10.820 12.238 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.123 12.730 14.289 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.977 11.183 13.676 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.028 9.824 14.245 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.104 10.612 16.534 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.764 12.161 16.049 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.985 9.255 14.422 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.549 9.228 15.242 1.00 0.00 H new ATOM 555 N GLY A 38 -2.452 12.196 15.994 1.00 0.00 N ATOM 556 CA GLY A 38 -1.365 11.993 16.935 1.00 0.00 C ATOM 557 C GLY A 38 -0.023 12.181 16.234 1.00 0.00 C ATOM 558 O GLY A 38 0.716 13.108 16.559 1.00 0.00 O ATOM 0 H GLY A 38 -2.917 13.099 16.091 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.454 12.697 17.762 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.425 10.991 17.361 1.00 0.00 H new ATOM 562 N LYS A 39 0.290 11.304 15.277 1.00 0.00 N ATOM 563 CA LYS A 39 1.476 11.383 14.446 1.00 0.00 C ATOM 564 C LYS A 39 1.123 10.887 13.046 1.00 0.00 C ATOM 565 O LYS A 39 0.143 10.168 12.868 1.00 0.00 O ATOM 566 CB LYS A 39 2.607 10.533 15.039 1.00 0.00 C ATOM 567 CG LYS A 39 3.057 11.019 16.422 1.00 0.00 C ATOM 568 CD LYS A 39 4.303 10.248 16.875 1.00 0.00 C ATOM 569 CE LYS A 39 4.749 10.724 18.261 1.00 0.00 C ATOM 570 NZ LYS A 39 5.951 10.002 18.715 1.00 0.00 N ATOM 0 H LYS A 39 -0.297 10.499 15.059 1.00 0.00 H new ATOM 0 HA LYS A 39 1.821 12.416 14.399 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.275 9.497 15.114 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.459 10.547 14.360 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.274 12.087 16.388 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.252 10.880 17.144 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.088 9.180 16.902 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.110 10.393 16.156 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.955 11.794 18.231 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.941 10.574 18.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.228 10.347 19.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.746 8.984 18.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.728 10.165 18.044 1.00 0.00 H new ATOM 584 N CYS A 40 1.950 11.248 12.066 1.00 0.00 N ATOM 585 CA CYS A 40 1.888 10.707 10.716 1.00 0.00 C ATOM 586 C CYS A 40 2.772 9.470 10.650 1.00 0.00 C ATOM 587 O CYS A 40 3.858 9.457 11.228 1.00 0.00 O ATOM 588 CB CYS A 40 2.362 11.759 9.708 1.00 0.00 C ATOM 589 SG CYS A 40 1.025 12.705 8.957 1.00 0.00 S ATOM 0 H CYS A 40 2.692 11.936 12.193 1.00 0.00 H new ATOM 0 HA CYS A 40 0.862 10.437 10.467 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.044 12.447 10.209 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.930 11.264 8.921 1.00 0.00 H new ATOM 594 N LYS A 41 2.320 8.433 9.941 1.00 0.00 N ATOM 595 CA LYS A 41 3.156 7.269 9.678 1.00 0.00 C ATOM 596 C LYS A 41 4.376 7.662 8.829 1.00 0.00 C ATOM 597 O LYS A 41 4.320 8.641 8.083 1.00 0.00 O ATOM 598 CB LYS A 41 2.333 6.169 8.992 1.00 0.00 C ATOM 599 CG LYS A 41 1.511 5.385 10.022 1.00 0.00 C ATOM 600 CD LYS A 41 0.836 4.186 9.346 1.00 0.00 C ATOM 601 CE LYS A 41 0.152 3.273 10.371 1.00 0.00 C ATOM 602 NZ LYS A 41 1.124 2.590 11.242 1.00 0.00 N ATOM 0 H LYS A 41 1.383 8.379 9.542 1.00 0.00 H new ATOM 0 HA LYS A 41 3.523 6.877 10.627 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.668 6.614 8.251 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.998 5.491 8.457 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.156 5.042 10.831 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.757 6.034 10.469 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.100 4.541 8.625 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.579 3.616 8.788 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.530 3.863 10.983 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.450 2.530 9.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.647 1.827 11.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.887 2.187 10.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.525 3.272 11.916 1.00 0.00 H new ATOM 616 N PRO A 42 5.485 6.911 8.927 1.00 0.00 N ATOM 617 CA PRO A 42 6.693 7.201 8.177 1.00 0.00 C ATOM 618 C PRO A 42 6.495 6.940 6.684 1.00 0.00 C ATOM 619 O PRO A 42 6.729 7.828 5.871 1.00 0.00 O ATOM 620 CB PRO A 42 7.790 6.331 8.799 1.00 0.00 C ATOM 621 CG PRO A 42 7.031 5.170 9.444 1.00 0.00 C ATOM 622 CD PRO A 42 5.698 5.801 9.847 1.00 0.00 C ATOM 0 HA PRO A 42 6.969 8.254 8.238 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.492 5.977 8.045 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.368 6.887 9.537 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.890 4.344 8.746 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.564 4.771 10.307 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.887 5.076 9.779 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.728 6.150 10.879 1.00 0.00 H new ATOM 630 N VAL A 43 6.074 5.726 6.316 1.00 0.00 N ATOM 631 CA VAL A 43 5.884 5.285 4.944 1.00 0.00 C ATOM 632 C VAL A 43 4.529 4.592 4.834 1.00 0.00 C ATOM 633 O VAL A 43 4.087 3.975 5.804 1.00 0.00 O ATOM 634 CB VAL A 43 7.049 4.359 4.563 1.00 0.00 C ATOM 635 CG1 VAL A 43 7.096 3.062 5.384 1.00 0.00 C ATOM 636 CG2 VAL A 43 7.029 4.017 3.066 1.00 0.00 C ATOM 0 H VAL A 43 5.849 5.001 6.997 1.00 0.00 H new ATOM 0 HA VAL A 43 5.883 6.125 4.249 1.00 0.00 H new ATOM 0 HB VAL A 43 7.951 4.925 4.797 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.943 2.457 5.061 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.205 3.304 6.441 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.173 2.502 5.233 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.867 3.360 2.832 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.094 3.514 2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.112 4.934 2.482 1.00 0.00 H new ATOM 646 N ASN A 44 3.857 4.710 3.687 1.00 0.00 N ATOM 647 CA ASN A 44 2.590 4.037 3.429 1.00 0.00 C ATOM 648 C ASN A 44 2.353 4.001 1.915 1.00 0.00 C ATOM 649 O ASN A 44 3.109 4.628 1.166 1.00 0.00 O ATOM 650 CB ASN A 44 1.472 4.764 4.192 1.00 0.00 C ATOM 651 CG ASN A 44 0.224 3.911 4.401 1.00 0.00 C ATOM 652 OD1 ASN A 44 0.067 2.846 3.815 1.00 0.00 O ATOM 653 ND2 ASN A 44 -0.676 4.365 5.268 1.00 0.00 N ATOM 0 H ASN A 44 4.183 5.281 2.907 1.00 0.00 H new ATOM 0 HA ASN A 44 2.605 3.007 3.784 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.852 5.081 5.163 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.198 5.667 3.646 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.520 3.824 5.458 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.523 5.254 5.743 1.00 0.00 H new ATOM 660 N THR A 45 1.346 3.261 1.442 1.00 0.00 N ATOM 661 CA THR A 45 1.112 3.061 0.020 1.00 0.00 C ATOM 662 C THR A 45 -0.368 2.816 -0.266 1.00 0.00 C ATOM 663 O THR A 45 -0.977 1.962 0.377 1.00 0.00 O ATOM 664 CB THR A 45 1.954 1.881 -0.485 1.00 0.00 C ATOM 665 OG1 THR A 45 3.277 1.935 0.009 1.00 0.00 O ATOM 666 CG2 THR A 45 1.968 1.831 -2.017 1.00 0.00 C ATOM 0 H THR A 45 0.672 2.785 2.041 1.00 0.00 H new ATOM 0 HA THR A 45 1.409 3.967 -0.508 1.00 0.00 H new ATOM 0 HB THR A 45 1.488 0.971 -0.108 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.819 2.512 -0.569 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.572 0.986 -2.348 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.949 1.716 -2.387 1.00 0.00 H new ATOM 0 HG23 THR A 45 2.393 2.756 -2.407 1.00 0.00 H new ATOM 674 N PHE A 46 -0.906 3.538 -1.256 1.00 0.00 N ATOM 675 CA PHE A 46 -2.309 3.547 -1.641 1.00 0.00 C ATOM 676 C PHE A 46 -2.434 3.090 -3.090 1.00 0.00 C ATOM 677 O PHE A 46 -1.883 3.726 -3.988 1.00 0.00 O ATOM 678 CB PHE A 46 -2.863 4.964 -1.461 1.00 0.00 C ATOM 679 CG PHE A 46 -2.492 5.551 -0.119 1.00 0.00 C ATOM 680 CD1 PHE A 46 -2.829 4.840 1.049 1.00 0.00 C ATOM 681 CD2 PHE A 46 -1.546 6.590 -0.058 1.00 0.00 C ATOM 682 CE1 PHE A 46 -2.210 5.154 2.266 1.00 0.00 C ATOM 683 CE2 PHE A 46 -0.959 6.931 1.170 1.00 0.00 C ATOM 684 CZ PHE A 46 -1.286 6.210 2.327 1.00 0.00 C ATOM 0 H PHE A 46 -0.341 4.160 -1.834 1.00 0.00 H new ATOM 0 HA PHE A 46 -2.883 2.865 -1.014 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.482 5.606 -2.255 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.948 4.944 -1.560 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -3.566 4.051 1.007 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.272 7.125 -0.955 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.443 4.586 3.154 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.255 7.749 1.224 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.825 6.468 3.269 1.00 0.00 H new ATOM 694 N VAL A 47 -3.128 1.979 -3.326 1.00 0.00 N ATOM 695 CA VAL A 47 -3.266 1.381 -4.646 1.00 0.00 C ATOM 696 C VAL A 47 -4.621 1.761 -5.268 1.00 0.00 C ATOM 697 O VAL A 47 -5.660 1.700 -4.606 1.00 0.00 O ATOM 698 CB VAL A 47 -3.030 -0.134 -4.532 1.00 0.00 C ATOM 699 CG1 VAL A 47 -3.112 -0.810 -5.901 1.00 0.00 C ATOM 700 CG2 VAL A 47 -1.651 -0.412 -3.926 1.00 0.00 C ATOM 0 H VAL A 47 -3.616 1.464 -2.593 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.514 1.771 -5.332 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.809 -0.541 -3.887 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.941 -1.881 -5.789 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.100 -0.643 -6.331 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.354 -0.389 -6.561 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.497 -1.488 -3.851 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.880 0.021 -4.563 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.594 0.033 -2.933 1.00 0.00 H new ATOM 710 N HIS A 48 -4.594 2.173 -6.543 1.00 0.00 N ATOM 711 CA HIS A 48 -5.748 2.609 -7.326 1.00 0.00 C ATOM 712 C HIS A 48 -6.181 1.466 -8.252 1.00 0.00 C ATOM 713 O HIS A 48 -5.970 1.535 -9.461 1.00 0.00 O ATOM 714 CB HIS A 48 -5.345 3.866 -8.120 1.00 0.00 C ATOM 715 CG HIS A 48 -6.458 4.543 -8.884 1.00 0.00 C ATOM 716 ND1 HIS A 48 -6.318 5.690 -9.645 1.00 0.00 N ATOM 717 CD2 HIS A 48 -7.781 4.199 -8.881 1.00 0.00 C ATOM 718 CE1 HIS A 48 -7.541 6.048 -10.075 1.00 0.00 C ATOM 719 NE2 HIS A 48 -8.439 5.151 -9.628 1.00 0.00 N ATOM 0 H HIS A 48 -3.726 2.211 -7.077 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.593 2.859 -6.685 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -4.913 4.588 -7.427 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.560 3.592 -8.825 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.224 3.346 -8.388 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -7.766 6.914 -10.680 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.442 5.173 -9.812 1.00 0.00 H new ATOM 728 N GLU A 49 -6.730 0.391 -7.678 1.00 0.00 N ATOM 729 CA GLU A 49 -7.014 -0.873 -8.350 1.00 0.00 C ATOM 730 C GLU A 49 -8.152 -1.569 -7.592 1.00 0.00 C ATOM 731 O GLU A 49 -8.737 -0.960 -6.693 1.00 0.00 O ATOM 732 CB GLU A 49 -5.756 -1.763 -8.360 1.00 0.00 C ATOM 733 CG GLU A 49 -4.514 -1.134 -9.015 1.00 0.00 C ATOM 734 CD GLU A 49 -4.633 -0.940 -10.527 1.00 0.00 C ATOM 735 OE1 GLU A 49 -5.459 -1.651 -11.139 1.00 0.00 O ATOM 736 OE2 GLU A 49 -3.864 -0.101 -11.051 1.00 0.00 O ATOM 0 H GLU A 49 -6.998 0.381 -6.694 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.308 -0.693 -9.384 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.510 -2.028 -7.332 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.991 -2.691 -8.881 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.322 -0.167 -8.550 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.649 -1.764 -8.808 1.00 0.00 H new ATOM 743 N SER A 50 -8.435 -2.834 -7.930 1.00 0.00 N ATOM 744 CA SER A 50 -9.488 -3.644 -7.332 1.00 0.00 C ATOM 745 C SER A 50 -8.881 -4.832 -6.575 1.00 0.00 C ATOM 746 O SER A 50 -7.827 -5.340 -6.955 1.00 0.00 O ATOM 747 CB SER A 50 -10.420 -4.136 -8.446 1.00 0.00 C ATOM 748 OG SER A 50 -10.917 -3.028 -9.174 1.00 0.00 O ATOM 0 H SER A 50 -7.916 -3.332 -8.653 1.00 0.00 H new ATOM 0 HA SER A 50 -10.055 -3.046 -6.618 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.882 -4.810 -9.113 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.247 -4.703 -8.018 1.00 0.00 H new ATOM 0 HG SER A 50 -11.511 -3.344 -9.886 1.00 0.00 H new ATOM 754 N LEU A 51 -9.560 -5.296 -5.517 1.00 0.00 N ATOM 755 CA LEU A 51 -9.086 -6.368 -4.636 1.00 0.00 C ATOM 756 C LEU A 51 -8.581 -7.566 -5.438 1.00 0.00 C ATOM 757 O LEU A 51 -7.505 -8.096 -5.166 1.00 0.00 O ATOM 758 CB LEU A 51 -10.225 -6.794 -3.697 1.00 0.00 C ATOM 759 CG LEU A 51 -9.873 -7.970 -2.767 1.00 0.00 C ATOM 760 CD1 LEU A 51 -8.672 -7.666 -1.863 1.00 0.00 C ATOM 761 CD2 LEU A 51 -11.083 -8.310 -1.890 1.00 0.00 C ATOM 0 H LEU A 51 -10.472 -4.928 -5.246 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.249 -5.991 -4.049 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.517 -5.939 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.092 -7.068 -4.298 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.605 -8.814 -3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.467 -8.528 -1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.798 -7.453 -2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.896 -6.801 -1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.833 -9.142 -1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -11.353 -7.441 -1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.925 -8.589 -2.524 1.00 0.00 H new ATOM 773 N ALA A 52 -9.368 -7.974 -6.437 1.00 0.00 N ATOM 774 CA ALA A 52 -9.055 -9.085 -7.322 1.00 0.00 C ATOM 775 C ALA A 52 -7.620 -9.019 -7.844 1.00 0.00 C ATOM 776 O ALA A 52 -6.963 -10.052 -7.946 1.00 0.00 O ATOM 777 CB ALA A 52 -10.053 -9.111 -8.482 1.00 0.00 C ATOM 0 H ALA A 52 -10.259 -7.527 -6.653 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.139 -10.008 -6.748 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -9.818 -9.944 -9.145 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.063 -9.232 -8.090 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.989 -8.175 -9.038 1.00 0.00 H new ATOM 783 N ASP A 53 -7.121 -7.817 -8.155 1.00 0.00 N ATOM 784 CA ASP A 53 -5.760 -7.651 -8.631 1.00 0.00 C ATOM 785 C ASP A 53 -4.785 -8.118 -7.550 1.00 0.00 C ATOM 786 O ASP A 53 -3.939 -8.974 -7.791 1.00 0.00 O ATOM 787 CB ASP A 53 -5.502 -6.185 -9.011 1.00 0.00 C ATOM 788 CG ASP A 53 -6.469 -5.662 -10.069 1.00 0.00 C ATOM 789 OD1 ASP A 53 -6.427 -6.209 -11.193 1.00 0.00 O ATOM 790 OD2 ASP A 53 -7.236 -4.731 -9.738 1.00 0.00 O ATOM 0 H ASP A 53 -7.649 -6.947 -8.082 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.610 -8.257 -9.524 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.580 -5.565 -8.118 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.481 -6.086 -9.380 1.00 0.00 H new ATOM 795 N VAL A 54 -4.920 -7.565 -6.343 1.00 0.00 N ATOM 796 CA VAL A 54 -4.021 -7.841 -5.227 1.00 0.00 C ATOM 797 C VAL A 54 -4.092 -9.331 -4.873 1.00 0.00 C ATOM 798 O VAL A 54 -3.076 -9.981 -4.617 1.00 0.00 O ATOM 799 CB VAL A 54 -4.390 -6.933 -4.038 1.00 0.00 C ATOM 800 CG1 VAL A 54 -3.559 -7.259 -2.790 1.00 0.00 C ATOM 801 CG2 VAL A 54 -4.197 -5.453 -4.401 1.00 0.00 C ATOM 0 H VAL A 54 -5.665 -6.907 -6.113 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.989 -7.620 -5.499 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.440 -7.120 -3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.851 -6.596 -1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.734 -8.294 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.501 -7.119 -3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.464 -4.831 -3.547 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.155 -5.277 -4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.835 -5.200 -5.247 1.00 0.00 H new ATOM 811 N LYS A 55 -5.305 -9.886 -4.867 1.00 0.00 N ATOM 812 CA LYS A 55 -5.500 -11.300 -4.605 1.00 0.00 C ATOM 813 C LYS A 55 -4.834 -12.175 -5.664 1.00 0.00 C ATOM 814 O LYS A 55 -4.077 -13.082 -5.319 1.00 0.00 O ATOM 815 CB LYS A 55 -6.996 -11.611 -4.422 1.00 0.00 C ATOM 816 CG LYS A 55 -7.269 -12.542 -3.235 1.00 0.00 C ATOM 817 CD LYS A 55 -6.695 -13.943 -3.497 1.00 0.00 C ATOM 818 CE LYS A 55 -7.220 -14.972 -2.492 1.00 0.00 C ATOM 819 NZ LYS A 55 -6.782 -14.667 -1.120 1.00 0.00 N ATOM 0 H LYS A 55 -6.167 -9.369 -5.042 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.002 -11.547 -3.668 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.541 -10.678 -4.279 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.381 -12.069 -5.333 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.825 -12.125 -2.331 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.343 -12.611 -3.060 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.954 -14.258 -4.508 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.607 -13.905 -3.443 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.309 -14.994 -2.530 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.871 -15.966 -2.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.576 -15.553 -0.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.924 -14.080 -1.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.536 -14.152 -0.621 1.00 0.00 H new ATOM 833 N ALA A 56 -5.100 -11.902 -6.945 1.00 0.00 N ATOM 834 CA ALA A 56 -4.462 -12.616 -8.039 1.00 0.00 C ATOM 835 C ALA A 56 -2.948 -12.579 -7.852 1.00 0.00 C ATOM 836 O ALA A 56 -2.310 -13.624 -7.800 1.00 0.00 O ATOM 837 CB ALA A 56 -4.882 -12.015 -9.384 1.00 0.00 C ATOM 0 H ALA A 56 -5.760 -11.184 -7.244 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.782 -13.658 -8.036 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.396 -12.560 -10.194 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.964 -12.090 -9.494 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.585 -10.967 -9.423 1.00 0.00 H new ATOM 843 N VAL A 57 -2.391 -11.378 -7.688 1.00 0.00 N ATOM 844 CA VAL A 57 -0.978 -11.153 -7.410 1.00 0.00 C ATOM 845 C VAL A 57 -0.459 -12.089 -6.316 1.00 0.00 C ATOM 846 O VAL A 57 0.514 -12.812 -6.533 1.00 0.00 O ATOM 847 CB VAL A 57 -0.778 -9.671 -7.060 1.00 0.00 C ATOM 848 CG1 VAL A 57 0.565 -9.395 -6.374 1.00 0.00 C ATOM 849 CG2 VAL A 57 -0.842 -8.852 -8.355 1.00 0.00 C ATOM 0 H VAL A 57 -2.928 -10.513 -7.747 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.389 -11.388 -8.296 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.566 -9.390 -6.361 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.648 -8.331 -6.152 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.624 -9.965 -5.447 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.379 -9.692 -7.035 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.702 -7.796 -8.125 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.056 -9.183 -9.034 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.814 -8.994 -8.828 1.00 0.00 H new ATOM 859 N CYS A 58 -1.106 -12.120 -5.147 1.00 0.00 N ATOM 860 CA CYS A 58 -0.619 -12.959 -4.049 1.00 0.00 C ATOM 861 C CYS A 58 -0.876 -14.451 -4.274 1.00 0.00 C ATOM 862 O CYS A 58 -0.614 -15.262 -3.392 1.00 0.00 O ATOM 863 CB CYS A 58 -1.115 -12.446 -2.699 1.00 0.00 C ATOM 864 SG CYS A 58 -0.002 -12.774 -1.298 1.00 0.00 S ATOM 0 H CYS A 58 -1.950 -11.586 -4.939 1.00 0.00 H new ATOM 0 HA CYS A 58 0.467 -12.872 -4.033 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.276 -11.370 -2.772 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.084 -12.899 -2.488 1.00 0.00 H new ATOM 869 N SER A 59 -1.360 -14.823 -5.465 1.00 0.00 N ATOM 870 CA SER A 59 -1.438 -16.190 -5.947 1.00 0.00 C ATOM 871 C SER A 59 -0.799 -16.293 -7.345 1.00 0.00 C ATOM 872 O SER A 59 -1.164 -17.167 -8.130 1.00 0.00 O ATOM 873 CB SER A 59 -2.908 -16.634 -5.931 1.00 0.00 C ATOM 874 OG SER A 59 -3.009 -18.042 -5.823 1.00 0.00 O ATOM 0 H SER A 59 -1.720 -14.147 -6.139 1.00 0.00 H new ATOM 0 HA SER A 59 -0.877 -16.863 -5.298 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.425 -16.163 -5.095 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.403 -16.299 -6.842 1.00 0.00 H new ATOM 0 HG SER A 59 -3.954 -18.302 -5.813 1.00 0.00 H new ATOM 880 N GLN A 60 0.159 -15.410 -7.660 1.00 0.00 N ATOM 881 CA GLN A 60 0.991 -15.497 -8.857 1.00 0.00 C ATOM 882 C GLN A 60 2.397 -15.935 -8.443 1.00 0.00 C ATOM 883 O GLN A 60 2.581 -17.062 -7.983 1.00 0.00 O ATOM 884 CB GLN A 60 0.961 -14.170 -9.643 1.00 0.00 C ATOM 885 CG GLN A 60 -0.341 -14.008 -10.441 1.00 0.00 C ATOM 886 CD GLN A 60 -0.386 -14.862 -11.707 1.00 0.00 C ATOM 887 OE1 GLN A 60 0.633 -15.348 -12.187 1.00 0.00 O ATOM 888 NE2 GLN A 60 -1.574 -15.043 -12.274 1.00 0.00 N ATOM 0 H GLN A 60 0.377 -14.603 -7.076 1.00 0.00 H new ATOM 0 HA GLN A 60 0.600 -16.247 -9.545 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.069 -13.335 -8.951 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.811 -14.132 -10.324 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.185 -14.272 -9.803 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.463 -12.960 -10.714 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.407 -14.629 -11.856 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.653 -15.596 -13.127 1.00 0.00 H new ATOM 897 N LYS A 61 3.406 -15.076 -8.609 1.00 0.00 N ATOM 898 CA LYS A 61 4.785 -15.498 -8.467 1.00 0.00 C ATOM 899 C LYS A 61 5.191 -15.436 -7.003 1.00 0.00 C ATOM 900 O LYS A 61 5.649 -14.406 -6.504 1.00 0.00 O ATOM 901 CB LYS A 61 5.669 -14.631 -9.356 1.00 0.00 C ATOM 902 CG LYS A 61 7.112 -15.141 -9.446 1.00 0.00 C ATOM 903 CD LYS A 61 7.961 -14.122 -10.211 1.00 0.00 C ATOM 904 CE LYS A 61 9.445 -14.497 -10.184 1.00 0.00 C ATOM 905 NZ LYS A 61 10.273 -13.416 -10.745 1.00 0.00 N ATOM 0 H LYS A 61 3.286 -14.090 -8.841 1.00 0.00 H new ATOM 0 HA LYS A 61 4.905 -16.532 -8.790 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.240 -14.592 -10.357 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.673 -13.611 -8.971 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.519 -15.294 -8.446 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.138 -16.106 -9.952 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.618 -14.063 -11.244 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.826 -13.133 -9.774 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.753 -14.701 -9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.603 -15.413 -10.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.279 -13.642 -10.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.075 -13.319 -11.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.050 -12.522 -10.262 1.00 0.00 H new ATOM 919 N LYS A 62 5.059 -16.583 -6.345 1.00 0.00 N ATOM 920 CA LYS A 62 5.602 -16.807 -5.019 1.00 0.00 C ATOM 921 C LYS A 62 7.116 -16.602 -5.075 1.00 0.00 C ATOM 922 O LYS A 62 7.785 -17.135 -5.960 1.00 0.00 O ATOM 923 CB LYS A 62 5.251 -18.222 -4.540 1.00 0.00 C ATOM 924 CG LYS A 62 5.620 -18.412 -3.063 1.00 0.00 C ATOM 925 CD LYS A 62 5.209 -19.814 -2.593 1.00 0.00 C ATOM 926 CE LYS A 62 5.653 -20.074 -1.149 1.00 0.00 C ATOM 927 NZ LYS A 62 5.027 -19.123 -0.218 1.00 0.00 N ATOM 0 H LYS A 62 4.565 -17.390 -6.726 1.00 0.00 H new ATOM 0 HA LYS A 62 5.171 -16.102 -4.308 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.185 -18.402 -4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.779 -18.957 -5.148 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.693 -18.274 -2.928 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.122 -17.656 -2.456 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.127 -19.921 -2.667 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.649 -20.563 -3.251 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.390 -21.092 -0.863 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.738 -19.993 -1.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.194 -19.434 0.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.440 -18.179 -0.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.004 -19.083 -0.398 1.00 0.00 H new ATOM 941 N VAL A 63 7.645 -15.832 -4.128 1.00 0.00 N ATOM 942 CA VAL A 63 9.059 -15.583 -3.928 1.00 0.00 C ATOM 943 C VAL A 63 9.296 -15.524 -2.415 1.00 0.00 C ATOM 944 O VAL A 63 8.438 -15.903 -1.615 1.00 0.00 O ATOM 945 CB VAL A 63 9.487 -14.285 -4.656 1.00 0.00 C ATOM 946 CG1 VAL A 63 9.327 -14.398 -6.175 1.00 0.00 C ATOM 947 CG2 VAL A 63 8.716 -13.048 -4.176 1.00 0.00 C ATOM 0 H VAL A 63 7.064 -15.342 -3.447 1.00 0.00 H new ATOM 0 HA VAL A 63 9.672 -16.377 -4.355 1.00 0.00 H new ATOM 0 HB VAL A 63 10.541 -14.159 -4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.639 -13.465 -6.644 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.945 -15.215 -6.546 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.283 -14.594 -6.417 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.060 -12.170 -4.723 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.650 -13.192 -4.354 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.889 -12.902 -3.110 1.00 0.00 H new ATOM 957 N THR A 64 10.462 -15.025 -2.015 1.00 0.00 N ATOM 958 CA THR A 64 10.778 -14.660 -0.652 1.00 0.00 C ATOM 959 C THR A 64 11.235 -13.205 -0.719 1.00 0.00 C ATOM 960 O THR A 64 11.645 -12.742 -1.785 1.00 0.00 O ATOM 961 CB THR A 64 11.876 -15.596 -0.131 1.00 0.00 C ATOM 962 OG1 THR A 64 12.126 -15.313 1.224 1.00 0.00 O ATOM 963 CG2 THR A 64 13.197 -15.499 -0.904 1.00 0.00 C ATOM 0 H THR A 64 11.235 -14.861 -2.660 1.00 0.00 H new ATOM 0 HA THR A 64 9.935 -14.756 0.032 1.00 0.00 H new ATOM 0 HB THR A 64 11.501 -16.610 -0.270 1.00 0.00 H new ATOM 0 HG1 THR A 64 12.930 -14.757 1.299 1.00 0.00 H new ATOM 0 HG21 THR A 64 13.921 -16.191 -0.475 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.026 -15.755 -1.950 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.584 -14.482 -0.838 1.00 0.00 H new ATOM 971 N CYS A 65 11.132 -12.469 0.386 1.00 0.00 N ATOM 972 CA CYS A 65 11.612 -11.100 0.441 1.00 0.00 C ATOM 973 C CYS A 65 13.123 -11.101 0.674 1.00 0.00 C ATOM 974 O CYS A 65 13.728 -12.150 0.885 1.00 0.00 O ATOM 975 CB CYS A 65 10.867 -10.344 1.543 1.00 0.00 C ATOM 976 SG CYS A 65 9.280 -9.636 1.047 1.00 0.00 S ATOM 0 H CYS A 65 10.718 -12.804 1.256 1.00 0.00 H new ATOM 0 HA CYS A 65 11.419 -10.591 -0.503 1.00 0.00 H new ATOM 0 HB2 CYS A 65 10.699 -11.023 2.379 1.00 0.00 H new ATOM 0 HB3 CYS A 65 11.507 -9.541 1.908 1.00 0.00 H new ATOM 981 N LYS A 66 13.737 -9.913 0.679 1.00 0.00 N ATOM 982 CA LYS A 66 15.159 -9.732 0.962 1.00 0.00 C ATOM 983 C LYS A 66 15.556 -10.376 2.300 1.00 0.00 C ATOM 984 O LYS A 66 16.691 -10.815 2.461 1.00 0.00 O ATOM 985 CB LYS A 66 15.502 -8.235 0.950 1.00 0.00 C ATOM 986 CG LYS A 66 15.709 -7.655 -0.460 1.00 0.00 C ATOM 987 CD LYS A 66 14.465 -7.704 -1.356 1.00 0.00 C ATOM 988 CE LYS A 66 14.742 -6.980 -2.679 1.00 0.00 C ATOM 989 NZ LYS A 66 13.576 -7.033 -3.577 1.00 0.00 N ATOM 0 H LYS A 66 13.250 -9.039 0.483 1.00 0.00 H new ATOM 0 HA LYS A 66 15.732 -10.235 0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 66 14.702 -7.685 1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 66 16.408 -8.075 1.535 1.00 0.00 H new ATOM 0 HG2 LYS A 66 16.035 -6.619 -0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 66 16.516 -8.201 -0.949 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.187 -8.740 -1.550 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.621 -7.238 -0.847 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.002 -5.940 -2.479 1.00 0.00 H new ATOM 0 HE3 LYS A 66 15.602 -7.434 -3.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.797 -6.534 -4.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.344 -8.025 -3.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.762 -6.577 -3.117 1.00 0.00 H new ATOM 1003 N ASP A 67 14.615 -10.452 3.250 1.00 0.00 N ATOM 1004 CA ASP A 67 14.795 -11.155 4.518 1.00 0.00 C ATOM 1005 C ASP A 67 15.181 -12.634 4.354 1.00 0.00 C ATOM 1006 O ASP A 67 15.700 -13.229 5.294 1.00 0.00 O ATOM 1007 CB ASP A 67 13.546 -10.998 5.402 1.00 0.00 C ATOM 1008 CG ASP A 67 12.242 -11.477 4.762 1.00 0.00 C ATOM 1009 OD1 ASP A 67 12.277 -12.479 4.016 1.00 0.00 O ATOM 1010 OD2 ASP A 67 11.218 -10.807 5.016 1.00 0.00 O ATOM 0 H ASP A 67 13.696 -10.020 3.154 1.00 0.00 H new ATOM 0 HA ASP A 67 15.644 -10.685 5.014 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.703 -11.549 6.329 1.00 0.00 H new ATOM 0 HB3 ASP A 67 13.438 -9.947 5.670 1.00 0.00 H new ATOM 1015 N GLY A 68 14.909 -13.243 3.196 1.00 0.00 N ATOM 1016 CA GLY A 68 15.207 -14.643 2.943 1.00 0.00 C ATOM 1017 C GLY A 68 14.341 -15.580 3.787 1.00 0.00 C ATOM 1018 O GLY A 68 14.762 -16.694 4.087 1.00 0.00 O ATOM 0 H GLY A 68 14.472 -12.768 2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 68 15.051 -14.861 1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 68 16.259 -14.833 3.156 1.00 0.00 H new ATOM 1022 N GLN A 69 13.129 -15.144 4.147 1.00 0.00 N ATOM 1023 CA GLN A 69 12.129 -15.983 4.792 1.00 0.00 C ATOM 1024 C GLN A 69 11.333 -16.680 3.680 1.00 0.00 C ATOM 1025 O GLN A 69 11.912 -17.444 2.908 1.00 0.00 O ATOM 1026 CB GLN A 69 11.299 -15.122 5.757 1.00 0.00 C ATOM 1027 CG GLN A 69 10.441 -15.968 6.711 1.00 0.00 C ATOM 1028 CD GLN A 69 9.675 -15.105 7.711 1.00 0.00 C ATOM 1029 OE1 GLN A 69 9.524 -13.903 7.529 1.00 0.00 O ATOM 1030 NE2 GLN A 69 9.179 -15.713 8.785 1.00 0.00 N ATOM 0 H GLN A 69 12.817 -14.185 3.994 1.00 0.00 H new ATOM 0 HA GLN A 69 12.557 -16.769 5.414 1.00 0.00 H new ATOM 0 HB2 GLN A 69 11.967 -14.488 6.340 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.652 -14.459 5.183 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.736 -16.564 6.132 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.081 -16.666 7.251 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.318 -16.715 8.914 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.659 -15.177 9.480 1.00 0.00 H new ATOM 1039 N THR A 70 10.043 -16.378 3.517 1.00 0.00 N ATOM 1040 CA THR A 70 9.237 -16.826 2.394 1.00 0.00 C ATOM 1041 C THR A 70 7.980 -15.962 2.345 1.00 0.00 C ATOM 1042 O THR A 70 7.879 -14.964 3.058 1.00 0.00 O ATOM 1043 CB THR A 70 8.923 -18.329 2.513 1.00 0.00 C ATOM 1044 OG1 THR A 70 8.277 -18.794 1.340 1.00 0.00 O ATOM 1045 CG2 THR A 70 8.065 -18.678 3.734 1.00 0.00 C ATOM 0 H THR A 70 9.524 -15.802 4.180 1.00 0.00 H new ATOM 0 HA THR A 70 9.779 -16.710 1.456 1.00 0.00 H new ATOM 0 HB THR A 70 9.884 -18.827 2.641 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.085 -19.751 1.430 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.882 -19.752 3.755 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.588 -18.381 4.643 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.114 -18.149 3.673 1.00 0.00 H new ATOM 1053 N ASN A 71 7.016 -16.383 1.528 1.00 0.00 N ATOM 1054 CA ASN A 71 5.658 -15.899 1.468 1.00 0.00 C ATOM 1055 C ASN A 71 5.524 -14.500 0.889 1.00 0.00 C ATOM 1056 O ASN A 71 4.437 -13.933 0.948 1.00 0.00 O ATOM 1057 CB ASN A 71 4.931 -16.088 2.813 1.00 0.00 C ATOM 1058 CG ASN A 71 4.045 -17.330 2.815 1.00 0.00 C ATOM 1059 OD1 ASN A 71 4.485 -18.416 2.454 1.00 0.00 O ATOM 1060 ND2 ASN A 71 2.792 -17.183 3.226 1.00 0.00 N ATOM 0 H ASN A 71 7.186 -17.123 0.847 1.00 0.00 H new ATOM 0 HA ASN A 71 5.140 -16.527 0.743 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.666 -16.166 3.614 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.322 -15.208 3.023 1.00 0.00 H new ATOM 0 HD21 ASN A 71 2.165 -17.987 3.248 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.456 -16.266 3.520 1.00 0.00 H new ATOM 1067 N CYS A 72 6.578 -13.971 0.264 1.00 0.00 N ATOM 1068 CA CYS A 72 6.441 -12.756 -0.521 1.00 0.00 C ATOM 1069 C CYS A 72 5.969 -13.166 -1.912 1.00 0.00 C ATOM 1070 O CYS A 72 6.203 -14.296 -2.332 1.00 0.00 O ATOM 1071 CB CYS A 72 7.705 -11.894 -0.469 1.00 0.00 C ATOM 1072 SG CYS A 72 7.943 -11.222 1.198 1.00 0.00 S ATOM 0 H CYS A 72 7.520 -14.362 0.288 1.00 0.00 H new ATOM 0 HA CYS A 72 5.688 -12.087 -0.104 1.00 0.00 H new ATOM 0 HB2 CYS A 72 8.572 -12.490 -0.755 1.00 0.00 H new ATOM 0 HB3 CYS A 72 7.627 -11.079 -1.189 1.00 0.00 H new ATOM 1077 N TYR A 73 5.236 -12.295 -2.599 1.00 0.00 N ATOM 1078 CA TYR A 73 4.642 -12.590 -3.889 1.00 0.00 C ATOM 1079 C TYR A 73 4.881 -11.405 -4.807 1.00 0.00 C ATOM 1080 O TYR A 73 4.375 -10.313 -4.542 1.00 0.00 O ATOM 1081 CB TYR A 73 3.144 -12.864 -3.748 1.00 0.00 C ATOM 1082 CG TYR A 73 2.801 -14.323 -3.533 1.00 0.00 C ATOM 1083 CD1 TYR A 73 2.843 -14.881 -2.243 1.00 0.00 C ATOM 1084 CD2 TYR A 73 2.442 -15.123 -4.633 1.00 0.00 C ATOM 1085 CE1 TYR A 73 2.507 -16.232 -2.052 1.00 0.00 C ATOM 1086 CE2 TYR A 73 2.088 -16.468 -4.440 1.00 0.00 C ATOM 1087 CZ TYR A 73 2.094 -17.013 -3.145 1.00 0.00 C ATOM 1088 OH TYR A 73 1.776 -18.325 -2.952 1.00 0.00 O ATOM 0 H TYR A 73 5.038 -11.351 -2.266 1.00 0.00 H new ATOM 0 HA TYR A 73 5.101 -13.485 -4.308 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.756 -12.283 -2.911 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.635 -12.510 -4.644 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.133 -14.272 -1.400 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.439 -14.702 -5.628 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.566 -16.670 -1.066 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.812 -17.082 -5.285 1.00 0.00 H new ATOM 0 HH TYR A 73 1.509 -18.726 -3.805 1.00 0.00 H new ATOM 1098 N GLN A 74 5.661 -11.616 -5.867 1.00 0.00 N ATOM 1099 CA GLN A 74 5.812 -10.639 -6.921 1.00 0.00 C ATOM 1100 C GLN A 74 4.577 -10.632 -7.815 1.00 0.00 C ATOM 1101 O GLN A 74 3.989 -11.673 -8.110 1.00 0.00 O ATOM 1102 CB GLN A 74 7.103 -10.902 -7.695 1.00 0.00 C ATOM 1103 CG GLN A 74 7.159 -10.278 -9.097 1.00 0.00 C ATOM 1104 CD GLN A 74 8.527 -10.425 -9.755 1.00 0.00 C ATOM 1105 OE1 GLN A 74 9.436 -11.052 -9.218 1.00 0.00 O ATOM 1106 NE2 GLN A 74 8.690 -9.864 -10.948 1.00 0.00 N ATOM 0 H GLN A 74 6.201 -12.470 -6.010 1.00 0.00 H new ATOM 0 HA GLN A 74 5.894 -9.641 -6.491 1.00 0.00 H new ATOM 0 HB2 GLN A 74 7.942 -10.523 -7.112 1.00 0.00 H new ATOM 0 HB3 GLN A 74 7.240 -11.979 -7.788 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.405 -10.747 -9.729 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.905 -9.220 -9.029 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.923 -9.347 -11.378 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.582 -9.950 -11.434 1.00 0.00 H new ATOM 1115 N SER A 75 4.231 -9.438 -8.284 1.00 0.00 N ATOM 1116 CA SER A 75 3.187 -9.251 -9.278 1.00 0.00 C ATOM 1117 C SER A 75 3.718 -9.553 -10.672 1.00 0.00 C ATOM 1118 O SER A 75 4.845 -9.197 -11.014 1.00 0.00 O ATOM 1119 CB SER A 75 2.619 -7.831 -9.257 1.00 0.00 C ATOM 1120 OG SER A 75 1.531 -7.771 -10.160 1.00 0.00 O ATOM 0 H SER A 75 4.671 -8.569 -7.982 1.00 0.00 H new ATOM 0 HA SER A 75 2.385 -9.944 -9.026 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.292 -7.568 -8.251 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.387 -7.111 -9.540 1.00 0.00 H new ATOM 0 HG SER A 75 1.650 -7.010 -10.766 1.00 0.00 H new ATOM 1126 N LYS A 76 2.858 -10.161 -11.485 1.00 0.00 N ATOM 1127 CA LYS A 76 3.059 -10.299 -12.915 1.00 0.00 C ATOM 1128 C LYS A 76 2.934 -8.919 -13.559 1.00 0.00 C ATOM 1129 O LYS A 76 3.646 -8.614 -14.514 1.00 0.00 O ATOM 1130 CB LYS A 76 2.027 -11.311 -13.448 1.00 0.00 C ATOM 1131 CG LYS A 76 2.475 -12.118 -14.675 1.00 0.00 C ATOM 1132 CD LYS A 76 2.613 -11.273 -15.946 1.00 0.00 C ATOM 1133 CE LYS A 76 2.766 -12.183 -17.171 1.00 0.00 C ATOM 1134 NZ LYS A 76 2.910 -11.396 -18.408 1.00 0.00 N ATOM 0 H LYS A 76 1.987 -10.578 -11.157 1.00 0.00 H new ATOM 0 HA LYS A 76 4.051 -10.679 -13.158 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.777 -12.007 -12.647 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.113 -10.774 -13.700 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.432 -12.592 -14.458 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.757 -12.918 -14.856 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.737 -10.635 -16.065 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.478 -10.615 -15.862 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.637 -12.826 -17.043 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.897 -12.836 -17.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.012 -12.039 -19.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.067 -10.801 -18.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.753 -10.791 -18.338 1.00 0.00 H new ATOM 1148 N SER A 77 2.029 -8.081 -13.043 1.00 0.00 N ATOM 1149 CA SER A 77 1.650 -6.832 -13.669 1.00 0.00 C ATOM 1150 C SER A 77 2.119 -5.631 -12.855 1.00 0.00 C ATOM 1151 O SER A 77 2.278 -5.690 -11.635 1.00 0.00 O ATOM 1152 CB SER A 77 0.125 -6.807 -13.817 1.00 0.00 C ATOM 1153 OG SER A 77 -0.472 -7.298 -12.629 1.00 0.00 O ATOM 0 H SER A 77 1.539 -8.263 -12.167 1.00 0.00 H new ATOM 0 HA SER A 77 2.128 -6.766 -14.646 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.215 -5.791 -14.015 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.179 -7.416 -14.668 1.00 0.00 H new ATOM 0 HG SER A 77 -1.447 -7.281 -12.722 1.00 0.00 H new ATOM 1159 N THR A 78 2.318 -4.516 -13.546 1.00 0.00 N ATOM 1160 CA THR A 78 2.528 -3.219 -12.942 1.00 0.00 C ATOM 1161 C THR A 78 1.177 -2.647 -12.500 1.00 0.00 C ATOM 1162 O THR A 78 0.162 -2.935 -13.134 1.00 0.00 O ATOM 1163 CB THR A 78 3.211 -2.319 -13.983 1.00 0.00 C ATOM 1164 OG1 THR A 78 2.440 -2.317 -15.168 1.00 0.00 O ATOM 1165 CG2 THR A 78 4.597 -2.851 -14.366 1.00 0.00 C ATOM 0 H THR A 78 2.337 -4.494 -14.566 1.00 0.00 H new ATOM 0 HA THR A 78 3.165 -3.287 -12.060 1.00 0.00 H new ATOM 0 HB THR A 78 3.303 -1.325 -13.545 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.869 -1.743 -15.836 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.050 -2.189 -15.104 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.229 -2.892 -13.479 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.499 -3.851 -14.788 1.00 0.00 H new ATOM 1173 N MET A 79 1.143 -1.853 -11.420 1.00 0.00 N ATOM 1174 CA MET A 79 -0.041 -1.072 -11.059 1.00 0.00 C ATOM 1175 C MET A 79 0.410 0.311 -10.605 1.00 0.00 C ATOM 1176 O MET A 79 1.521 0.462 -10.093 1.00 0.00 O ATOM 1177 CB MET A 79 -0.950 -1.774 -10.021 1.00 0.00 C ATOM 1178 CG MET A 79 -1.373 -3.163 -10.534 1.00 0.00 C ATOM 1179 SD MET A 79 -2.475 -4.157 -9.501 1.00 0.00 S ATOM 1180 CE MET A 79 -1.384 -4.551 -8.121 1.00 0.00 C ATOM 0 H MET A 79 1.929 -1.737 -10.780 1.00 0.00 H new ATOM 0 HA MET A 79 -0.674 -0.975 -11.941 1.00 0.00 H new ATOM 0 HB2 MET A 79 -0.421 -1.874 -9.073 1.00 0.00 H new ATOM 0 HB3 MET A 79 -1.833 -1.165 -9.830 1.00 0.00 H new ATOM 0 HG2 MET A 79 -1.856 -3.027 -11.502 1.00 0.00 H new ATOM 0 HG3 MET A 79 -0.467 -3.743 -10.709 1.00 0.00 H new ATOM 0 HE1 MET A 79 -1.921 -5.163 -7.396 1.00 0.00 H new ATOM 0 HE2 MET A 79 -0.517 -5.100 -8.488 1.00 0.00 H new ATOM 0 HE3 MET A 79 -1.053 -3.629 -7.644 1.00 0.00 H new ATOM 1190 N ARG A 80 -0.431 1.322 -10.845 1.00 0.00 N ATOM 1191 CA ARG A 80 -0.137 2.706 -10.507 1.00 0.00 C ATOM 1192 C ARG A 80 -0.324 2.911 -9.004 1.00 0.00 C ATOM 1193 O ARG A 80 -1.380 3.349 -8.547 1.00 0.00 O ATOM 1194 CB ARG A 80 -0.955 3.681 -11.369 1.00 0.00 C ATOM 1195 CG ARG A 80 -2.460 3.387 -11.454 1.00 0.00 C ATOM 1196 CD ARG A 80 -3.171 4.564 -12.127 1.00 0.00 C ATOM 1197 NE ARG A 80 -4.617 4.326 -12.211 1.00 0.00 N ATOM 1198 CZ ARG A 80 -5.478 5.129 -12.850 1.00 0.00 C ATOM 1199 NH1 ARG A 80 -5.054 6.271 -13.404 1.00 0.00 N ATOM 1200 NH2 ARG A 80 -6.765 4.780 -12.930 1.00 0.00 N ATOM 0 H ARG A 80 -1.343 1.194 -11.284 1.00 0.00 H new ATOM 0 HA ARG A 80 0.905 2.929 -10.738 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -0.821 4.688 -10.974 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -0.544 3.678 -12.379 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -2.631 2.472 -12.021 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.867 3.225 -10.456 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -2.981 5.478 -11.564 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.765 4.715 -13.127 1.00 0.00 H new ATOM 0 HE ARG A 80 -4.991 3.495 -11.753 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -4.071 6.534 -13.341 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -5.714 6.878 -13.889 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -7.084 3.909 -12.507 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -7.428 5.385 -13.414 1.00 0.00 H new ATOM 1214 N ILE A 81 0.703 2.581 -8.222 1.00 0.00 N ATOM 1215 CA ILE A 81 0.650 2.749 -6.790 1.00 0.00 C ATOM 1216 C ILE A 81 0.978 4.199 -6.446 1.00 0.00 C ATOM 1217 O ILE A 81 1.855 4.808 -7.059 1.00 0.00 O ATOM 1218 CB ILE A 81 1.574 1.736 -6.098 1.00 0.00 C ATOM 1219 CG1 ILE A 81 3.072 1.950 -6.372 1.00 0.00 C ATOM 1220 CG2 ILE A 81 1.165 0.307 -6.477 1.00 0.00 C ATOM 1221 CD1 ILE A 81 3.944 1.124 -5.427 1.00 0.00 C ATOM 0 H ILE A 81 1.581 2.195 -8.568 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.354 2.544 -6.418 1.00 0.00 H new ATOM 0 HB ILE A 81 1.445 1.898 -5.028 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.295 1.679 -7.404 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.315 3.007 -6.261 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.826 -0.404 -5.982 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.137 0.127 -6.162 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.241 0.181 -7.557 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.995 1.303 -5.652 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.740 1.414 -4.396 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.720 0.065 -5.557 1.00 0.00 H new ATOM 1233 N THR A 82 0.261 4.750 -5.468 1.00 0.00 N ATOM 1234 CA THR A 82 0.532 6.039 -4.861 1.00 0.00 C ATOM 1235 C THR A 82 1.231 5.757 -3.534 1.00 0.00 C ATOM 1236 O THR A 82 0.573 5.594 -2.508 1.00 0.00 O ATOM 1237 CB THR A 82 -0.798 6.799 -4.730 1.00 0.00 C ATOM 1238 OG1 THR A 82 -1.297 7.031 -6.033 1.00 0.00 O ATOM 1239 CG2 THR A 82 -0.700 8.140 -4.001 1.00 0.00 C ATOM 0 H THR A 82 -0.555 4.288 -5.066 1.00 0.00 H new ATOM 0 HA THR A 82 1.187 6.678 -5.453 1.00 0.00 H new ATOM 0 HB THR A 82 -1.456 6.175 -4.125 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.215 7.368 -5.976 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.686 8.603 -3.957 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.330 7.978 -2.989 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.014 8.796 -4.537 1.00 0.00 H new ATOM 1247 N ASP A 83 2.563 5.652 -3.555 1.00 0.00 N ATOM 1248 CA ASP A 83 3.350 5.555 -2.340 1.00 0.00 C ATOM 1249 C ASP A 83 3.356 6.905 -1.645 1.00 0.00 C ATOM 1250 O ASP A 83 3.131 7.924 -2.297 1.00 0.00 O ATOM 1251 CB ASP A 83 4.771 5.076 -2.640 1.00 0.00 C ATOM 1252 CG ASP A 83 5.487 4.688 -1.353 1.00 0.00 C ATOM 1253 OD1 ASP A 83 5.233 3.558 -0.888 1.00 0.00 O ATOM 1254 OD2 ASP A 83 6.245 5.539 -0.845 1.00 0.00 O ATOM 0 H ASP A 83 3.115 5.633 -4.412 1.00 0.00 H new ATOM 0 HA ASP A 83 2.900 4.815 -1.677 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.738 4.222 -3.316 1.00 0.00 H new ATOM 0 HB3 ASP A 83 5.327 5.864 -3.149 1.00 0.00 H new ATOM 1259 N CYS A 84 3.620 6.927 -0.339 1.00 0.00 N ATOM 1260 CA CYS A 84 3.791 8.167 0.391 1.00 0.00 C ATOM 1261 C CYS A 84 4.799 7.989 1.522 1.00 0.00 C ATOM 1262 O CYS A 84 4.747 6.983 2.230 1.00 0.00 O ATOM 1263 CB CYS A 84 2.427 8.680 0.858 1.00 0.00 C ATOM 1264 SG CYS A 84 2.326 10.468 1.060 1.00 0.00 S ATOM 0 H CYS A 84 3.719 6.088 0.233 1.00 0.00 H new ATOM 0 HA CYS A 84 4.210 8.933 -0.262 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.670 8.366 0.140 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.181 8.206 1.808 1.00 0.00 H new ATOM 1269 N ARG A 85 5.731 8.941 1.665 1.00 0.00 N ATOM 1270 CA ARG A 85 6.811 8.935 2.648 1.00 0.00 C ATOM 1271 C ARG A 85 6.769 10.275 3.360 1.00 0.00 C ATOM 1272 O ARG A 85 6.648 11.285 2.682 1.00 0.00 O ATOM 1273 CB ARG A 85 8.166 8.845 1.938 1.00 0.00 C ATOM 1274 CG ARG A 85 8.378 7.496 1.249 1.00 0.00 C ATOM 1275 CD ARG A 85 9.761 7.458 0.587 1.00 0.00 C ATOM 1276 NE ARG A 85 10.009 6.165 -0.065 1.00 0.00 N ATOM 1277 CZ ARG A 85 9.548 5.805 -1.270 1.00 0.00 C ATOM 1278 NH1 ARG A 85 8.765 6.629 -1.974 1.00 0.00 N ATOM 1279 NH2 ARG A 85 9.873 4.607 -1.768 1.00 0.00 N ATOM 0 H ARG A 85 5.749 9.770 1.071 1.00 0.00 H new ATOM 0 HA ARG A 85 6.692 8.091 3.328 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.239 9.642 1.198 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.964 9.009 2.663 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.291 6.689 1.977 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.602 7.335 0.500 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.836 8.258 -0.149 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.530 7.642 1.337 1.00 0.00 H new ATOM 0 HE ARG A 85 10.578 5.487 0.441 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.513 7.542 -1.594 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.419 6.345 -2.891 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.467 3.976 -1.231 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.526 4.325 -2.685 1.00 0.00 H new ATOM 1293 N GLU A 86 6.858 10.340 4.685 1.00 0.00 N ATOM 1294 CA GLU A 86 6.906 11.624 5.369 1.00 0.00 C ATOM 1295 C GLU A 86 8.010 12.498 4.749 1.00 0.00 C ATOM 1296 O GLU A 86 9.144 12.035 4.650 1.00 0.00 O ATOM 1297 CB GLU A 86 7.070 11.403 6.880 1.00 0.00 C ATOM 1298 CG GLU A 86 8.398 10.751 7.297 1.00 0.00 C ATOM 1299 CD GLU A 86 8.473 10.513 8.803 1.00 0.00 C ATOM 1300 OE1 GLU A 86 7.879 11.327 9.543 1.00 0.00 O ATOM 1301 OE2 GLU A 86 9.127 9.519 9.188 1.00 0.00 O ATOM 0 H GLU A 86 6.898 9.527 5.299 1.00 0.00 H new ATOM 0 HA GLU A 86 5.969 12.166 5.238 1.00 0.00 H new ATOM 0 HB2 GLU A 86 6.979 12.365 7.385 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.249 10.779 7.233 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.515 9.802 6.774 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.227 11.389 6.989 1.00 0.00 H new ATOM 1308 N THR A 87 7.689 13.720 4.285 1.00 0.00 N ATOM 1309 CA THR A 87 8.672 14.637 3.698 1.00 0.00 C ATOM 1310 C THR A 87 10.049 14.592 4.374 1.00 0.00 C ATOM 1311 O THR A 87 11.076 14.497 3.707 1.00 0.00 O ATOM 1312 CB THR A 87 8.139 16.072 3.757 1.00 0.00 C ATOM 1313 OG1 THR A 87 7.712 16.381 5.070 1.00 0.00 O ATOM 1314 CG2 THR A 87 7.037 16.338 2.728 1.00 0.00 C ATOM 0 H THR A 87 6.741 14.095 4.308 1.00 0.00 H new ATOM 0 HA THR A 87 8.813 14.307 2.669 1.00 0.00 H new ATOM 0 HB THR A 87 8.961 16.737 3.492 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.794 16.064 5.198 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.698 17.370 2.816 1.00 0.00 H new ATOM 0 HG22 THR A 87 7.428 16.169 1.725 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.200 15.664 2.909 1.00 0.00 H new ATOM 1322 N GLY A 88 10.044 14.712 5.700 1.00 0.00 N ATOM 1323 CA GLY A 88 11.224 14.695 6.550 1.00 0.00 C ATOM 1324 C GLY A 88 11.025 15.675 7.698 1.00 0.00 C ATOM 1325 O GLY A 88 11.134 15.310 8.864 1.00 0.00 O ATOM 0 H GLY A 88 9.180 14.828 6.230 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.393 13.691 6.938 1.00 0.00 H new ATOM 0 HA3 GLY A 88 12.108 14.967 5.972 1.00 0.00 H new ATOM 1329 N SER A 89 10.679 16.919 7.356 1.00 0.00 N ATOM 1330 CA SER A 89 10.322 17.943 8.333 1.00 0.00 C ATOM 1331 C SER A 89 9.069 17.521 9.113 1.00 0.00 C ATOM 1332 O SER A 89 8.943 17.822 10.296 1.00 0.00 O ATOM 1333 CB SER A 89 10.124 19.283 7.610 1.00 0.00 C ATOM 1334 OG SER A 89 10.000 20.341 8.538 1.00 0.00 O ATOM 0 H SER A 89 10.639 17.242 6.389 1.00 0.00 H new ATOM 0 HA SER A 89 11.126 18.062 9.059 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.969 19.472 6.947 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.232 19.236 6.985 1.00 0.00 H new ATOM 0 HG SER A 89 9.876 21.186 8.057 1.00 0.00 H new ATOM 1340 N SER A 90 8.154 16.829 8.421 1.00 0.00 N ATOM 1341 CA SER A 90 6.880 16.317 8.913 1.00 0.00 C ATOM 1342 C SER A 90 6.831 16.029 10.420 1.00 0.00 C ATOM 1343 O SER A 90 7.409 15.045 10.876 1.00 0.00 O ATOM 1344 CB SER A 90 6.534 15.038 8.137 1.00 0.00 C ATOM 1345 OG SER A 90 5.134 14.888 8.045 1.00 0.00 O ATOM 0 H SER A 90 8.300 16.600 7.438 1.00 0.00 H new ATOM 0 HA SER A 90 6.150 17.110 8.748 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.969 15.081 7.138 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.968 14.172 8.637 1.00 0.00 H new ATOM 0 HG SER A 90 4.925 14.070 7.547 1.00 0.00 H new ATOM 1351 N LYS A 91 6.090 16.842 11.179 1.00 0.00 N ATOM 1352 CA LYS A 91 5.805 16.597 12.585 1.00 0.00 C ATOM 1353 C LYS A 91 4.423 17.165 12.903 1.00 0.00 C ATOM 1354 O LYS A 91 4.234 18.380 12.872 1.00 0.00 O ATOM 1355 CB LYS A 91 6.875 17.238 13.479 1.00 0.00 C ATOM 1356 CG LYS A 91 8.199 16.464 13.446 1.00 0.00 C ATOM 1357 CD LYS A 91 9.135 16.930 14.568 1.00 0.00 C ATOM 1358 CE LYS A 91 10.458 16.160 14.495 1.00 0.00 C ATOM 1359 NZ LYS A 91 11.366 16.547 15.587 1.00 0.00 N ATOM 0 H LYS A 91 5.668 17.700 10.823 1.00 0.00 H new ATOM 0 HA LYS A 91 5.818 15.525 12.781 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.048 18.264 13.156 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.509 17.284 14.505 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.003 15.397 13.550 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.684 16.606 12.480 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.321 18.000 14.477 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.663 16.769 15.537 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.261 15.089 14.546 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.939 16.350 13.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.252 16.008 15.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.573 17.564 15.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.916 16.342 16.502 1.00 0.00 H new ATOM 1373 N TYR A 92 3.454 16.290 13.192 1.00 0.00 N ATOM 1374 CA TYR A 92 2.093 16.689 13.529 1.00 0.00 C ATOM 1375 C TYR A 92 2.086 17.778 14.614 1.00 0.00 C ATOM 1376 O TYR A 92 2.823 17.641 15.591 1.00 0.00 O ATOM 1377 CB TYR A 92 1.274 15.458 13.946 1.00 0.00 C ATOM 1378 CG TYR A 92 -0.210 15.543 13.643 1.00 0.00 C ATOM 1379 CD1 TYR A 92 -0.646 15.782 12.326 1.00 0.00 C ATOM 1380 CD2 TYR A 92 -1.159 15.354 14.667 1.00 0.00 C ATOM 1381 CE1 TYR A 92 -2.017 15.840 12.040 1.00 0.00 C ATOM 1382 CE2 TYR A 92 -2.532 15.337 14.362 1.00 0.00 C ATOM 1383 CZ TYR A 92 -2.952 15.512 13.032 1.00 0.00 C ATOM 1384 OH TYR A 92 -4.233 15.234 12.660 1.00 0.00 O ATOM 0 H TYR A 92 3.598 15.280 13.197 1.00 0.00 H new ATOM 0 HA TYR A 92 1.624 17.123 12.646 1.00 0.00 H new ATOM 0 HB2 TYR A 92 1.683 14.581 13.444 1.00 0.00 H new ATOM 0 HB3 TYR A 92 1.402 15.300 15.017 1.00 0.00 H new ATOM 0 HD1 TYR A 92 0.076 15.921 11.535 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -0.832 15.222 15.688 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.353 16.137 11.057 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -3.260 15.190 15.146 1.00 0.00 H new ATOM 0 HH TYR A 92 -4.766 15.023 13.455 1.00 0.00 H new ATOM 1394 N PRO A 93 1.302 18.864 14.477 1.00 0.00 N ATOM 1395 CA PRO A 93 0.276 19.108 13.465 1.00 0.00 C ATOM 1396 C PRO A 93 0.844 19.362 12.065 1.00 0.00 C ATOM 1397 O PRO A 93 0.189 19.056 11.070 1.00 0.00 O ATOM 1398 CB PRO A 93 -0.503 20.327 13.969 1.00 0.00 C ATOM 1399 CG PRO A 93 0.526 21.089 14.800 1.00 0.00 C ATOM 1400 CD PRO A 93 1.343 19.962 15.429 1.00 0.00 C ATOM 0 HA PRO A 93 -0.351 18.225 13.345 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.880 20.932 13.144 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.365 20.033 14.568 1.00 0.00 H new ATOM 0 HG2 PRO A 93 1.143 21.742 14.183 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.053 21.717 15.555 1.00 0.00 H new ATOM 0 HD2 PRO A 93 2.369 20.280 15.615 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.922 19.663 16.389 1.00 0.00 H new ATOM 1408 N ASN A 94 2.069 19.881 11.969 1.00 0.00 N ATOM 1409 CA ASN A 94 2.723 20.195 10.705 1.00 0.00 C ATOM 1410 C ASN A 94 3.256 18.921 10.042 1.00 0.00 C ATOM 1411 O ASN A 94 4.461 18.780 9.830 1.00 0.00 O ATOM 1412 CB ASN A 94 3.849 21.213 10.946 1.00 0.00 C ATOM 1413 CG ASN A 94 3.317 22.525 11.509 1.00 0.00 C ATOM 1414 OD1 ASN A 94 3.306 22.729 12.720 1.00 0.00 O ATOM 1415 ND2 ASN A 94 2.863 23.428 10.646 1.00 0.00 N ATOM 0 H ASN A 94 2.642 20.098 12.785 1.00 0.00 H new ATOM 0 HA ASN A 94 1.996 20.638 10.024 1.00 0.00 H new ATOM 0 HB2 ASN A 94 4.579 20.791 11.637 1.00 0.00 H new ATOM 0 HB3 ASN A 94 4.371 21.405 10.009 1.00 0.00 H new ATOM 0 HD21 ASN A 94 2.494 24.316 10.985 1.00 0.00 H new ATOM 0 HD22 ASN A 94 2.884 23.233 9.645 1.00 0.00 H new ATOM 1422 N CYS A 95 2.361 17.991 9.697 1.00 0.00 N ATOM 1423 CA CYS A 95 2.721 16.824 8.901 1.00 0.00 C ATOM 1424 C CYS A 95 2.576 17.123 7.415 1.00 0.00 C ATOM 1425 O CYS A 95 1.516 17.544 6.948 1.00 0.00 O ATOM 1426 CB CYS A 95 1.883 15.602 9.242 1.00 0.00 C ATOM 1427 SG CYS A 95 2.008 14.267 8.021 1.00 0.00 S ATOM 0 H CYS A 95 1.376 18.029 9.961 1.00 0.00 H new ATOM 0 HA CYS A 95 3.760 16.599 9.140 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.191 15.222 10.216 1.00 0.00 H new ATOM 0 HB3 CYS A 95 0.839 15.902 9.333 1.00 0.00 H new ATOM 1432 N ALA A 96 3.644 16.849 6.675 1.00 0.00 N ATOM 1433 CA ALA A 96 3.707 16.968 5.232 1.00 0.00 C ATOM 1434 C ALA A 96 4.202 15.625 4.705 1.00 0.00 C ATOM 1435 O ALA A 96 5.269 15.156 5.108 1.00 0.00 O ATOM 1436 CB ALA A 96 4.629 18.130 4.859 1.00 0.00 C ATOM 0 H ALA A 96 4.521 16.526 7.084 1.00 0.00 H new ATOM 0 HA ALA A 96 2.737 17.191 4.786 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.678 18.222 3.774 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.239 19.055 5.284 1.00 0.00 H new ATOM 0 HB3 ALA A 96 5.628 17.943 5.253 1.00 0.00 H new ATOM 1442 N TYR A 97 3.416 14.975 3.850 1.00 0.00 N ATOM 1443 CA TYR A 97 3.628 13.591 3.467 1.00 0.00 C ATOM 1444 C TYR A 97 3.940 13.540 1.969 1.00 0.00 C ATOM 1445 O TYR A 97 3.100 13.870 1.135 1.00 0.00 O ATOM 1446 CB TYR A 97 2.365 12.805 3.878 1.00 0.00 C ATOM 1447 CG TYR A 97 2.544 11.445 4.537 1.00 0.00 C ATOM 1448 CD1 TYR A 97 3.533 10.551 4.095 1.00 0.00 C ATOM 1449 CD2 TYR A 97 1.614 11.018 5.508 1.00 0.00 C ATOM 1450 CE1 TYR A 97 3.607 9.252 4.625 1.00 0.00 C ATOM 1451 CE2 TYR A 97 1.659 9.703 6.003 1.00 0.00 C ATOM 1452 CZ TYR A 97 2.649 8.816 5.552 1.00 0.00 C ATOM 1453 OH TYR A 97 2.624 7.512 5.945 1.00 0.00 O ATOM 0 H TYR A 97 2.606 15.404 3.401 1.00 0.00 H new ATOM 0 HA TYR A 97 4.479 13.131 3.969 1.00 0.00 H new ATOM 0 HB2 TYR A 97 1.791 13.432 4.560 1.00 0.00 H new ATOM 0 HB3 TYR A 97 1.756 12.664 2.985 1.00 0.00 H new ATOM 0 HD1 TYR A 97 4.241 10.864 3.342 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.864 11.704 5.873 1.00 0.00 H new ATOM 0 HE1 TYR A 97 4.402 8.589 4.318 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.931 9.375 6.731 1.00 0.00 H new ATOM 0 HH TYR A 97 3.530 7.141 5.907 1.00 0.00 H new ATOM 1463 N LYS A 98 5.181 13.185 1.627 1.00 0.00 N ATOM 1464 CA LYS A 98 5.684 13.191 0.270 1.00 0.00 C ATOM 1465 C LYS A 98 5.213 11.965 -0.502 1.00 0.00 C ATOM 1466 O LYS A 98 5.752 10.870 -0.359 1.00 0.00 O ATOM 1467 CB LYS A 98 7.211 13.299 0.251 1.00 0.00 C ATOM 1468 CG LYS A 98 7.789 13.381 -1.168 1.00 0.00 C ATOM 1469 CD LYS A 98 9.317 13.512 -1.092 1.00 0.00 C ATOM 1470 CE LYS A 98 9.965 13.398 -2.477 1.00 0.00 C ATOM 1471 NZ LYS A 98 9.523 14.470 -3.386 1.00 0.00 N ATOM 0 H LYS A 98 5.874 12.879 2.311 1.00 0.00 H new ATOM 0 HA LYS A 98 5.278 14.071 -0.229 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.514 14.183 0.812 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.637 12.435 0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.518 12.490 -1.735 1.00 0.00 H new ATOM 0 HG3 LYS A 98 7.366 14.236 -1.696 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.578 14.472 -0.646 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.717 12.737 -0.438 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.049 13.435 -2.373 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.720 12.430 -2.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.024 14.384 -4.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 8.499 14.389 -3.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.734 15.395 -2.960 1.00 0.00 H new ATOM 1485 N THR A 99 4.243 12.182 -1.377 1.00 0.00 N ATOM 1486 CA THR A 99 3.752 11.192 -2.314 1.00 0.00 C ATOM 1487 C THR A 99 4.802 10.846 -3.373 1.00 0.00 C ATOM 1488 O THR A 99 5.443 11.743 -3.919 1.00 0.00 O ATOM 1489 CB THR A 99 2.496 11.746 -2.986 1.00 0.00 C ATOM 1490 OG1 THR A 99 1.737 12.418 -2.013 1.00 0.00 O ATOM 1491 CG2 THR A 99 1.644 10.634 -3.598 1.00 0.00 C ATOM 0 H THR A 99 3.764 13.079 -1.454 1.00 0.00 H new ATOM 0 HA THR A 99 3.525 10.274 -1.771 1.00 0.00 H new ATOM 0 HB THR A 99 2.799 12.418 -3.789 1.00 0.00 H new ATOM 0 HG1 THR A 99 0.887 12.709 -2.405 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.761 11.068 -4.066 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.227 10.100 -4.349 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.336 9.939 -2.816 1.00 0.00 H new ATOM 1499 N THR A 100 4.908 9.559 -3.709 1.00 0.00 N ATOM 1500 CA THR A 100 5.641 9.050 -4.857 1.00 0.00 C ATOM 1501 C THR A 100 4.682 8.126 -5.605 1.00 0.00 C ATOM 1502 O THR A 100 4.416 7.013 -5.154 1.00 0.00 O ATOM 1503 CB THR A 100 6.901 8.296 -4.412 1.00 0.00 C ATOM 1504 OG1 THR A 100 7.736 9.157 -3.662 1.00 0.00 O ATOM 1505 CG2 THR A 100 7.672 7.784 -5.634 1.00 0.00 C ATOM 0 H THR A 100 4.466 8.818 -3.164 1.00 0.00 H new ATOM 0 HA THR A 100 5.979 9.863 -5.499 1.00 0.00 H new ATOM 0 HB THR A 100 6.600 7.449 -3.796 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.604 8.725 -3.515 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.564 7.251 -5.304 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.037 7.109 -6.208 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.964 8.627 -6.260 1.00 0.00 H new ATOM 1513 N GLN A 101 4.142 8.584 -6.736 1.00 0.00 N ATOM 1514 CA GLN A 101 3.288 7.754 -7.568 1.00 0.00 C ATOM 1515 C GLN A 101 4.157 7.030 -8.590 1.00 0.00 C ATOM 1516 O GLN A 101 5.048 7.648 -9.170 1.00 0.00 O ATOM 1517 CB GLN A 101 2.188 8.597 -8.227 1.00 0.00 C ATOM 1518 CG GLN A 101 1.438 9.399 -7.158 1.00 0.00 C ATOM 1519 CD GLN A 101 0.176 10.064 -7.689 1.00 0.00 C ATOM 1520 OE1 GLN A 101 0.246 11.137 -8.277 1.00 0.00 O ATOM 1521 NE2 GLN A 101 -0.988 9.463 -7.459 1.00 0.00 N ATOM 0 H GLN A 101 4.285 9.529 -7.092 1.00 0.00 H new ATOM 0 HA GLN A 101 2.778 7.008 -6.959 1.00 0.00 H new ATOM 0 HB2 GLN A 101 2.626 9.273 -8.961 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.494 7.950 -8.763 1.00 0.00 H new ATOM 0 HG2 GLN A 101 1.174 8.737 -6.334 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.102 10.163 -6.753 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -1.012 8.570 -6.967 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -1.856 9.895 -7.775 1.00 0.00 H new ATOM 1530 N VAL A 102 3.936 5.728 -8.789 1.00 0.00 N ATOM 1531 CA VAL A 102 4.757 4.927 -9.684 1.00 0.00 C ATOM 1532 C VAL A 102 3.946 3.754 -10.240 1.00 0.00 C ATOM 1533 O VAL A 102 3.192 3.109 -9.514 1.00 0.00 O ATOM 1534 CB VAL A 102 6.061 4.504 -8.975 1.00 0.00 C ATOM 1535 CG1 VAL A 102 5.828 3.707 -7.687 1.00 0.00 C ATOM 1536 CG2 VAL A 102 6.963 3.692 -9.909 1.00 0.00 C ATOM 0 H VAL A 102 3.186 5.207 -8.335 1.00 0.00 H new ATOM 0 HA VAL A 102 5.059 5.521 -10.547 1.00 0.00 H new ATOM 0 HB VAL A 102 6.552 5.438 -8.700 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.788 3.444 -7.243 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.257 4.312 -6.983 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.273 2.797 -7.917 1.00 0.00 H new ATOM 0 HG21 VAL A 102 7.873 3.409 -9.380 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.437 2.794 -10.233 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.222 4.295 -10.780 1.00 0.00 H new ATOM 1546 N GLU A 103 4.104 3.501 -11.543 1.00 0.00 N ATOM 1547 CA GLU A 103 3.537 2.363 -12.250 1.00 0.00 C ATOM 1548 C GLU A 103 4.619 1.301 -12.410 1.00 0.00 C ATOM 1549 O GLU A 103 5.379 1.322 -13.375 1.00 0.00 O ATOM 1550 CB GLU A 103 2.894 2.793 -13.575 1.00 0.00 C ATOM 1551 CG GLU A 103 3.707 3.859 -14.310 1.00 0.00 C ATOM 1552 CD GLU A 103 3.168 4.095 -15.715 1.00 0.00 C ATOM 1553 OE1 GLU A 103 2.155 4.820 -15.816 1.00 0.00 O ATOM 1554 OE2 GLU A 103 3.770 3.539 -16.659 1.00 0.00 O ATOM 0 H GLU A 103 4.652 4.110 -12.151 1.00 0.00 H new ATOM 0 HA GLU A 103 2.723 1.925 -11.673 1.00 0.00 H new ATOM 0 HB2 GLU A 103 2.781 1.921 -14.219 1.00 0.00 H new ATOM 0 HB3 GLU A 103 1.893 3.177 -13.380 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.681 4.792 -13.747 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.751 3.549 -14.366 1.00 0.00 H new ATOM 1561 N LYS A 104 4.698 0.376 -11.454 1.00 0.00 N ATOM 1562 CA LYS A 104 5.643 -0.730 -11.478 1.00 0.00 C ATOM 1563 C LYS A 104 4.978 -1.928 -10.818 1.00 0.00 C ATOM 1564 O LYS A 104 3.863 -1.812 -10.303 1.00 0.00 O ATOM 1565 CB LYS A 104 6.963 -0.376 -10.772 1.00 0.00 C ATOM 1566 CG LYS A 104 7.869 0.536 -11.610 1.00 0.00 C ATOM 1567 CD LYS A 104 9.195 0.774 -10.874 1.00 0.00 C ATOM 1568 CE LYS A 104 10.207 1.533 -11.739 1.00 0.00 C ATOM 1569 NZ LYS A 104 9.711 2.862 -12.141 1.00 0.00 N ATOM 0 H LYS A 104 4.096 0.378 -10.630 1.00 0.00 H new ATOM 0 HA LYS A 104 5.903 -0.960 -12.511 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.741 0.114 -9.824 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.500 -1.295 -10.537 1.00 0.00 H new ATOM 0 HG2 LYS A 104 8.059 0.081 -12.582 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.370 1.487 -11.796 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.006 1.337 -9.960 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.620 -0.184 -10.576 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.140 1.647 -11.187 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.433 0.947 -12.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.454 3.365 -12.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.873 2.751 -12.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.456 3.408 -11.294 1.00 0.00 H new ATOM 1583 N HIS A 105 5.643 -3.084 -10.890 1.00 0.00 N ATOM 1584 CA HIS A 105 5.113 -4.328 -10.362 1.00 0.00 C ATOM 1585 C HIS A 105 5.449 -4.441 -8.888 1.00 0.00 C ATOM 1586 O HIS A 105 6.546 -4.085 -8.452 1.00 0.00 O ATOM 1587 CB HIS A 105 5.513 -5.545 -11.203 1.00 0.00 C ATOM 1588 CG HIS A 105 6.981 -5.874 -11.281 1.00 0.00 C ATOM 1589 ND1 HIS A 105 7.743 -5.879 -12.434 1.00 0.00 N ATOM 1590 CD2 HIS A 105 7.704 -6.485 -10.295 1.00 0.00 C ATOM 1591 CE1 HIS A 105 8.920 -6.463 -12.145 1.00 0.00 C ATOM 1592 NE2 HIS A 105 8.919 -6.829 -10.849 1.00 0.00 N ATOM 0 H HIS A 105 6.564 -3.176 -11.318 1.00 0.00 H new ATOM 0 HA HIS A 105 4.026 -4.313 -10.439 1.00 0.00 H new ATOM 0 HB2 HIS A 105 4.992 -6.416 -10.806 1.00 0.00 H new ATOM 0 HB3 HIS A 105 5.147 -5.390 -12.218 1.00 0.00 H new ATOM 0 HD2 HIS A 105 7.385 -6.664 -9.279 1.00 0.00 H new ATOM 0 HE1 HIS A 105 9.733 -6.614 -12.839 1.00 0.00 H new ATOM 0 HE2 HIS A 105 9.689 -7.285 -10.359 1.00 0.00 H new ATOM 1601 N ILE A 106 4.442 -4.865 -8.129 1.00 0.00 N ATOM 1602 CA ILE A 106 4.481 -4.864 -6.677 1.00 0.00 C ATOM 1603 C ILE A 106 4.909 -6.210 -6.123 1.00 0.00 C ATOM 1604 O ILE A 106 4.690 -7.250 -6.742 1.00 0.00 O ATOM 1605 CB ILE A 106 3.151 -4.379 -6.080 1.00 0.00 C ATOM 1606 CG1 ILE A 106 1.973 -5.335 -6.330 1.00 0.00 C ATOM 1607 CG2 ILE A 106 2.841 -2.972 -6.609 1.00 0.00 C ATOM 1608 CD1 ILE A 106 0.756 -4.957 -5.478 1.00 0.00 C ATOM 0 H ILE A 106 3.567 -5.222 -8.514 1.00 0.00 H new ATOM 0 HA ILE A 106 5.244 -4.149 -6.370 1.00 0.00 H new ATOM 0 HB ILE A 106 3.275 -4.354 -4.997 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.702 -5.312 -7.385 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.276 -6.357 -6.101 1.00 0.00 H new ATOM 0 HG21 ILE A 106 1.898 -2.624 -6.188 1.00 0.00 H new ATOM 0 HG22 ILE A 106 3.641 -2.290 -6.320 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.764 -3.001 -7.696 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.059 -5.653 -5.679 1.00 0.00 H new ATOM 0 HD12 ILE A 106 1.022 -5.005 -4.422 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.438 -3.944 -5.727 1.00 0.00 H new ATOM 1620 N ILE A 107 5.534 -6.156 -4.951 1.00 0.00 N ATOM 1621 CA ILE A 107 5.863 -7.287 -4.123 1.00 0.00 C ATOM 1622 C ILE A 107 4.964 -7.151 -2.900 1.00 0.00 C ATOM 1623 O ILE A 107 5.092 -6.194 -2.132 1.00 0.00 O ATOM 1624 CB ILE A 107 7.362 -7.265 -3.777 1.00 0.00 C ATOM 1625 CG1 ILE A 107 8.285 -7.500 -4.991 1.00 0.00 C ATOM 1626 CG2 ILE A 107 7.683 -8.372 -2.758 1.00 0.00 C ATOM 1627 CD1 ILE A 107 8.316 -6.361 -6.015 1.00 0.00 C ATOM 0 H ILE A 107 5.836 -5.272 -4.542 1.00 0.00 H new ATOM 0 HA ILE A 107 5.695 -8.247 -4.611 1.00 0.00 H new ATOM 0 HB ILE A 107 7.551 -6.266 -3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 107 9.299 -7.670 -4.629 1.00 0.00 H new ATOM 0 HG13 ILE A 107 7.970 -8.413 -5.496 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.746 -8.349 -2.519 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.103 -8.210 -1.849 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.427 -9.343 -3.183 1.00 0.00 H new ATOM 0 HD11 ILE A 107 8.993 -6.622 -6.829 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.314 -6.202 -6.413 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.664 -5.447 -5.533 1.00 0.00 H new ATOM 1639 N VAL A 108 4.029 -8.088 -2.748 1.00 0.00 N ATOM 1640 CA VAL A 108 3.212 -8.205 -1.553 1.00 0.00 C ATOM 1641 C VAL A 108 3.723 -9.393 -0.742 1.00 0.00 C ATOM 1642 O VAL A 108 4.729 -9.998 -1.115 1.00 0.00 O ATOM 1643 CB VAL A 108 1.725 -8.327 -1.934 1.00 0.00 C ATOM 1644 CG1 VAL A 108 1.270 -7.109 -2.743 1.00 0.00 C ATOM 1645 CG2 VAL A 108 1.416 -9.607 -2.712 1.00 0.00 C ATOM 0 H VAL A 108 3.820 -8.789 -3.459 1.00 0.00 H new ATOM 0 HA VAL A 108 3.291 -7.312 -0.933 1.00 0.00 H new ATOM 0 HB VAL A 108 1.171 -8.372 -0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.217 -7.217 -3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.408 -6.206 -2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.862 -7.037 -3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.354 -9.639 -2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.998 -9.622 -3.634 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.676 -10.474 -2.104 1.00 0.00 H new ATOM 1655 N ALA A 109 3.037 -9.754 0.343 1.00 0.00 N ATOM 1656 CA ALA A 109 3.286 -11.007 1.032 1.00 0.00 C ATOM 1657 C ALA A 109 1.987 -11.581 1.575 1.00 0.00 C ATOM 1658 O ALA A 109 1.074 -10.823 1.929 1.00 0.00 O ATOM 1659 CB ALA A 109 4.337 -10.838 2.132 1.00 0.00 C ATOM 0 H ALA A 109 2.300 -9.186 0.761 1.00 0.00 H new ATOM 0 HA ALA A 109 3.692 -11.719 0.314 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.501 -11.794 2.629 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.272 -10.493 1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 109 3.987 -10.106 2.860 1.00 0.00 H new ATOM 1665 N CYS A 110 1.911 -12.916 1.598 1.00 0.00 N ATOM 1666 CA CYS A 110 0.723 -13.654 2.001 1.00 0.00 C ATOM 1667 C CYS A 110 0.933 -14.200 3.409 1.00 0.00 C ATOM 1668 O CYS A 110 2.055 -14.537 3.786 1.00 0.00 O ATOM 1669 CB CYS A 110 0.435 -14.795 1.014 1.00 0.00 C ATOM 1670 SG CYS A 110 -0.760 -14.443 -0.305 1.00 0.00 S ATOM 0 H CYS A 110 2.690 -13.518 1.331 1.00 0.00 H new ATOM 0 HA CYS A 110 -0.139 -12.986 1.997 1.00 0.00 H new ATOM 0 HB2 CYS A 110 1.376 -15.091 0.551 1.00 0.00 H new ATOM 0 HB3 CYS A 110 0.074 -15.653 1.581 1.00 0.00 H new ATOM 1675 N GLY A 111 -0.138 -14.302 4.193 1.00 0.00 N ATOM 1676 CA GLY A 111 -0.085 -14.896 5.518 1.00 0.00 C ATOM 1677 C GLY A 111 0.124 -16.409 5.438 1.00 0.00 C ATOM 1678 O GLY A 111 0.129 -16.999 4.357 1.00 0.00 O ATOM 0 H GLY A 111 -1.065 -13.974 3.923 1.00 0.00 H new ATOM 0 HA2 GLY A 111 0.725 -14.444 6.090 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.010 -14.682 6.053 1.00 0.00 H new ATOM 1682 N GLY A 112 0.293 -17.045 6.600 1.00 0.00 N ATOM 1683 CA GLY A 112 0.259 -18.490 6.695 1.00 0.00 C ATOM 1684 C GLY A 112 -1.144 -18.971 6.329 1.00 0.00 C ATOM 1685 O GLY A 112 -2.102 -18.211 6.440 1.00 0.00 O ATOM 0 H GLY A 112 0.455 -16.570 7.488 1.00 0.00 H new ATOM 0 HA2 GLY A 112 0.997 -18.930 6.024 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.516 -18.809 7.705 1.00 0.00 H new ATOM 1689 N LYS A 113 -1.237 -20.225 5.883 1.00 0.00 N ATOM 1690 CA LYS A 113 -2.453 -20.875 5.395 1.00 0.00 C ATOM 1691 C LYS A 113 -3.704 -20.411 6.166 1.00 0.00 C ATOM 1692 O LYS A 113 -3.781 -20.661 7.369 1.00 0.00 O ATOM 1693 CB LYS A 113 -2.279 -22.398 5.526 1.00 0.00 C ATOM 1694 CG LYS A 113 -1.167 -22.943 4.613 1.00 0.00 C ATOM 1695 CD LYS A 113 -1.659 -23.887 3.503 1.00 0.00 C ATOM 1696 CE LYS A 113 -2.439 -23.189 2.378 1.00 0.00 C ATOM 1697 NZ LYS A 113 -3.853 -22.968 2.725 1.00 0.00 N ATOM 0 H LYS A 113 -0.427 -20.844 5.851 1.00 0.00 H new ATOM 0 HA LYS A 113 -2.604 -20.598 4.352 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -2.049 -22.647 6.562 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -3.220 -22.891 5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -0.647 -22.102 4.154 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -0.438 -23.473 5.226 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -0.799 -24.398 3.070 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -2.294 -24.653 3.949 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -1.969 -22.231 2.155 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -2.381 -23.792 1.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -4.362 -22.604 1.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -4.281 -23.866 3.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -3.916 -22.277 3.499 1.00 0.00 H new ATOM 1711 N PRO A 114 -4.695 -19.769 5.520 1.00 0.00 N ATOM 1712 CA PRO A 114 -4.799 -19.521 4.089 1.00 0.00 C ATOM 1713 C PRO A 114 -3.885 -18.394 3.610 1.00 0.00 C ATOM 1714 O PRO A 114 -3.763 -17.344 4.236 1.00 0.00 O ATOM 1715 CB PRO A 114 -6.263 -19.175 3.832 1.00 0.00 C ATOM 1716 CG PRO A 114 -6.712 -18.553 5.157 1.00 0.00 C ATOM 1717 CD PRO A 114 -5.901 -19.325 6.199 1.00 0.00 C ATOM 0 HA PRO A 114 -4.478 -20.402 3.533 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -6.372 -18.477 3.002 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -6.849 -20.060 3.584 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -6.500 -17.484 5.192 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -7.784 -18.670 5.314 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -5.658 -18.691 7.052 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -6.467 -20.173 6.584 1.00 0.00 H new ATOM 1725 N SER A 115 -3.275 -18.611 2.445 1.00 0.00 N ATOM 1726 CA SER A 115 -2.362 -17.680 1.811 1.00 0.00 C ATOM 1727 C SER A 115 -3.142 -16.498 1.239 1.00 0.00 C ATOM 1728 O SER A 115 -3.354 -16.420 0.030 1.00 0.00 O ATOM 1729 CB SER A 115 -1.604 -18.448 0.727 1.00 0.00 C ATOM 1730 OG SER A 115 -2.532 -19.222 -0.011 1.00 0.00 O ATOM 0 H SER A 115 -3.411 -19.466 1.906 1.00 0.00 H new ATOM 0 HA SER A 115 -1.648 -17.270 2.526 1.00 0.00 H new ATOM 0 HB2 SER A 115 -1.081 -17.755 0.068 1.00 0.00 H new ATOM 0 HB3 SER A 115 -0.848 -19.092 1.178 1.00 0.00 H new ATOM 0 HG SER A 115 -3.214 -18.634 -0.398 1.00 0.00 H new ATOM 1736 N VAL A 116 -3.575 -15.594 2.116 1.00 0.00 N ATOM 1737 CA VAL A 116 -4.253 -14.356 1.754 1.00 0.00 C ATOM 1738 C VAL A 116 -3.256 -13.191 1.836 1.00 0.00 C ATOM 1739 O VAL A 116 -2.403 -13.203 2.729 1.00 0.00 O ATOM 1740 CB VAL A 116 -5.498 -14.148 2.640 1.00 0.00 C ATOM 1741 CG1 VAL A 116 -6.426 -15.368 2.570 1.00 0.00 C ATOM 1742 CG2 VAL A 116 -5.159 -13.867 4.109 1.00 0.00 C ATOM 0 H VAL A 116 -3.460 -15.708 3.123 1.00 0.00 H new ATOM 0 HA VAL A 116 -4.613 -14.408 0.727 1.00 0.00 H new ATOM 0 HB VAL A 116 -5.998 -13.266 2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -7.297 -15.199 3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -6.749 -15.521 1.540 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -5.891 -16.252 2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -6.080 -13.731 4.675 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -4.601 -14.708 4.521 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.555 -12.962 4.176 1.00 0.00 H new ATOM 1752 N PRO A 117 -3.336 -12.203 0.924 1.00 0.00 N ATOM 1753 CA PRO A 117 -2.438 -11.056 0.903 1.00 0.00 C ATOM 1754 C PRO A 117 -2.600 -10.247 2.181 1.00 0.00 C ATOM 1755 O PRO A 117 -3.727 -9.980 2.593 1.00 0.00 O ATOM 1756 CB PRO A 117 -2.839 -10.222 -0.316 1.00 0.00 C ATOM 1757 CG PRO A 117 -4.289 -10.618 -0.575 1.00 0.00 C ATOM 1758 CD PRO A 117 -4.340 -12.077 -0.124 1.00 0.00 C ATOM 0 HA PRO A 117 -1.394 -11.363 0.841 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -2.747 -9.154 -0.117 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -2.206 -10.442 -1.176 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -4.983 -9.997 -0.008 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -4.553 -10.513 -1.627 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -5.330 -12.336 0.250 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -4.126 -12.751 -0.954 1.00 0.00 H new ATOM 1766 N VAL A 118 -1.490 -9.866 2.814 1.00 0.00 N ATOM 1767 CA VAL A 118 -1.539 -9.260 4.132 1.00 0.00 C ATOM 1768 C VAL A 118 -0.456 -8.206 4.369 1.00 0.00 C ATOM 1769 O VAL A 118 -0.613 -7.377 5.264 1.00 0.00 O ATOM 1770 CB VAL A 118 -1.611 -10.381 5.184 1.00 0.00 C ATOM 1771 CG1 VAL A 118 -0.328 -11.210 5.223 1.00 0.00 C ATOM 1772 CG2 VAL A 118 -1.937 -9.865 6.584 1.00 0.00 C ATOM 0 H VAL A 118 -0.550 -9.969 2.431 1.00 0.00 H new ATOM 0 HA VAL A 118 -2.447 -8.663 4.223 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.434 -11.022 4.868 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.421 -11.990 5.979 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -0.161 -11.668 4.248 1.00 0.00 H new ATOM 0 HG13 VAL A 118 0.515 -10.565 5.470 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.974 -10.702 7.281 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -1.166 -9.162 6.901 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -2.904 -9.362 6.570 1.00 0.00 H new ATOM 1782 N HIS A 119 0.613 -8.193 3.564 1.00 0.00 N ATOM 1783 CA HIS A 119 1.595 -7.117 3.588 1.00 0.00 C ATOM 1784 C HIS A 119 1.917 -6.649 2.180 1.00 0.00 C ATOM 1785 O HIS A 119 1.863 -7.428 1.231 1.00 0.00 O ATOM 1786 CB HIS A 119 2.863 -7.555 4.321 1.00 0.00 C ATOM 1787 CG HIS A 119 2.633 -7.943 5.758 1.00 0.00 C ATOM 1788 ND1 HIS A 119 2.755 -9.214 6.287 1.00 0.00 N ATOM 1789 CD2 HIS A 119 2.233 -7.102 6.758 1.00 0.00 C ATOM 1790 CE1 HIS A 119 2.429 -9.145 7.590 1.00 0.00 C ATOM 1791 NE2 HIS A 119 2.109 -7.872 7.897 1.00 0.00 N ATOM 0 H HIS A 119 0.816 -8.926 2.884 1.00 0.00 H new ATOM 0 HA HIS A 119 1.164 -6.277 4.132 1.00 0.00 H new ATOM 0 HB2 HIS A 119 3.303 -8.401 3.792 1.00 0.00 H new ATOM 0 HB3 HIS A 119 3.590 -6.744 4.286 1.00 0.00 H new ATOM 0 HD2 HIS A 119 2.050 -6.041 6.674 1.00 0.00 H new ATOM 0 HE1 HIS A 119 2.424 -9.976 8.280 1.00 0.00 H new ATOM 0 HE2 HIS A 119 1.823 -7.535 8.816 1.00 0.00 H new ATOM 1800 N PHE A 120 2.265 -5.365 2.075 1.00 0.00 N ATOM 1801 CA PHE A 120 2.836 -4.736 0.903 1.00 0.00 C ATOM 1802 C PHE A 120 4.301 -4.497 1.234 1.00 0.00 C ATOM 1803 O PHE A 120 4.590 -3.768 2.179 1.00 0.00 O ATOM 1804 CB PHE A 120 2.135 -3.403 0.629 1.00 0.00 C ATOM 1805 CG PHE A 120 2.806 -2.587 -0.458 1.00 0.00 C ATOM 1806 CD1 PHE A 120 2.674 -2.956 -1.809 1.00 0.00 C ATOM 1807 CD2 PHE A 120 3.638 -1.508 -0.106 1.00 0.00 C ATOM 1808 CE1 PHE A 120 3.315 -2.203 -2.807 1.00 0.00 C ATOM 1809 CE2 PHE A 120 4.307 -0.782 -1.104 1.00 0.00 C ATOM 1810 CZ PHE A 120 4.147 -1.129 -2.455 1.00 0.00 C ATOM 0 H PHE A 120 2.147 -4.711 2.849 1.00 0.00 H new ATOM 0 HA PHE A 120 2.720 -5.357 0.015 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.101 -3.596 0.343 1.00 0.00 H new ATOM 0 HB3 PHE A 120 2.108 -2.818 1.549 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.081 -3.817 -2.079 1.00 0.00 H new ATOM 0 HD2 PHE A 120 3.762 -1.238 0.932 1.00 0.00 H new ATOM 0 HE1 PHE A 120 3.167 -2.451 -3.848 1.00 0.00 H new ATOM 0 HE2 PHE A 120 4.946 0.045 -0.832 1.00 0.00 H new ATOM 0 HZ PHE A 120 4.663 -0.571 -3.222 1.00 0.00 H new ATOM 1820 N ASP A 121 5.210 -5.130 0.494 1.00 0.00 N ATOM 1821 CA ASP A 121 6.634 -4.862 0.631 1.00 0.00 C ATOM 1822 C ASP A 121 6.977 -3.540 -0.061 1.00 0.00 C ATOM 1823 O ASP A 121 7.331 -2.575 0.609 1.00 0.00 O ATOM 1824 CB ASP A 121 7.461 -6.033 0.088 1.00 0.00 C ATOM 1825 CG ASP A 121 8.957 -5.789 0.252 1.00 0.00 C ATOM 1826 OD1 ASP A 121 9.449 -6.007 1.379 1.00 0.00 O ATOM 1827 OD2 ASP A 121 9.583 -5.405 -0.760 1.00 0.00 O ATOM 0 H ASP A 121 4.981 -5.834 -0.208 1.00 0.00 H new ATOM 0 HA ASP A 121 6.886 -4.763 1.687 1.00 0.00 H new ATOM 0 HB2 ASP A 121 7.182 -6.949 0.610 1.00 0.00 H new ATOM 0 HB3 ASP A 121 7.230 -6.184 -0.967 1.00 0.00 H new ATOM 1832 N ALA A 122 6.886 -3.501 -1.395 1.00 0.00 N ATOM 1833 CA ALA A 122 7.299 -2.361 -2.209 1.00 0.00 C ATOM 1834 C ALA A 122 7.027 -2.658 -3.684 1.00 0.00 C ATOM 1835 O ALA A 122 6.754 -3.805 -4.042 1.00 0.00 O ATOM 1836 CB ALA A 122 8.802 -2.097 -2.036 1.00 0.00 C ATOM 0 H ALA A 122 6.516 -4.276 -1.945 1.00 0.00 H new ATOM 0 HA ALA A 122 6.734 -1.486 -1.888 1.00 0.00 H new ATOM 0 HB1 ALA A 122 9.095 -1.244 -2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 122 9.015 -1.881 -0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 122 9.364 -2.977 -2.347 1.00 0.00 H new ATOM 1842 N SER A 123 7.099 -1.638 -4.546 1.00 0.00 N ATOM 1843 CA SER A 123 7.276 -1.828 -5.971 1.00 0.00 C ATOM 1844 C SER A 123 8.689 -2.372 -6.200 1.00 0.00 C ATOM 1845 O SER A 123 9.579 -2.160 -5.378 1.00 0.00 O ATOM 1846 CB SER A 123 7.106 -0.474 -6.670 1.00 0.00 C ATOM 1847 OG SER A 123 7.415 0.579 -5.766 1.00 0.00 O ATOM 0 H SER A 123 7.035 -0.660 -4.265 1.00 0.00 H new ATOM 0 HA SER A 123 6.543 -2.528 -6.373 1.00 0.00 H new ATOM 0 HB2 SER A 123 7.759 -0.420 -7.541 1.00 0.00 H new ATOM 0 HB3 SER A 123 6.083 -0.367 -7.031 1.00 0.00 H new ATOM 0 HG SER A 123 7.306 1.441 -6.219 1.00 0.00 H new ATOM 1853 N VAL A 124 8.918 -3.043 -7.330 1.00 0.00 N ATOM 1854 CA VAL A 124 10.278 -3.403 -7.724 1.00 0.00 C ATOM 1855 C VAL A 124 11.153 -2.146 -7.844 1.00 0.00 C ATOM 1856 O VAL A 124 12.352 -2.253 -7.509 1.00 0.00 O ATOM 1857 CB VAL A 124 10.261 -4.246 -9.010 1.00 0.00 C ATOM 1858 CG1 VAL A 124 9.715 -3.473 -10.218 1.00 0.00 C ATOM 1859 CG2 VAL A 124 11.655 -4.795 -9.339 1.00 0.00 C ATOM 1860 OXT VAL A 124 10.610 -1.105 -8.282 1.00 0.00 O ATOM 0 H VAL A 124 8.191 -3.344 -7.979 1.00 0.00 H new ATOM 0 HA VAL A 124 10.726 -4.024 -6.948 1.00 0.00 H new ATOM 0 HB VAL A 124 9.585 -5.078 -8.812 1.00 0.00 H new ATOM 0 HG11 VAL A 124 9.726 -4.117 -11.097 1.00 0.00 H new ATOM 0 HG12 VAL A 124 8.693 -3.155 -10.014 1.00 0.00 H new ATOM 0 HG13 VAL A 124 10.338 -2.597 -10.401 1.00 0.00 H new ATOM 0 HG21 VAL A 124 11.607 -5.386 -10.254 1.00 0.00 H new ATOM 0 HG22 VAL A 124 12.349 -3.966 -9.479 1.00 0.00 H new ATOM 0 HG23 VAL A 124 12.001 -5.424 -8.519 1.00 0.00 H new