USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 993 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 62 MET CE :methyl 158:sc= -0.387 (180deg=-1.42!) USER MOD Set 1.2: A 88 MET CE :methyl 179:sc= -1.47 (180deg=-1.44) USER MOD Set 2.1: A 39 SER OG : rot -38:sc= 0.0891 USER MOD Set 2.2: A 64 MET CE :methyl 163:sc= 0 (180deg=0) USER MOD Set 3.1: A 21 ASN : amide:sc= -0.0195 K(o=-0.29,f=-3.5) USER MOD Set 3.2: A 71 MET CE :methyl 138:sc= -0.213 (180deg=-3.75!) USER MOD Set 3.3: A 72 MET CE :methyl -148:sc= -0.0546 (180deg=-0.0795) USER MOD Set 4.1: A 17 GLN :FLIP amide:sc= 0.0392 F(o=-1.3,f=-0.11) USER MOD Set 4.2: A 74 ASN : amide:sc= -0.154 K(o=-0.11,f=-3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= -0.029 (180deg=-0.252) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0438 USER MOD Single : A 16 MET CE :methyl -120:sc= -0.0343 (180deg=-0.569) USER MOD Single : A 18 GLN : amide:sc= -3.43 K(o=-3.4,f=-12!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.747 K(o=-0.75,f=-1.3) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -142:sc= -0.221 (180deg=-1.16) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 160:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -151:sc= -0.191 (180deg=-0.835) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 85:sc= 1.25 USER MOD Single : A 70 HIS : no HD1:sc= -0.109 K(o=-0.11,f=-0.66) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0146 USER MOD Single : A 77 GLN : amide:sc= -0.0097 K(o=-0.0097,f=-1.3) USER MOD Single : A 81 SER OG : rot -101:sc= 0.452 USER MOD Single : A 82 MET CE :methyl 160:sc= -1.26 (180deg=-1.69) USER MOD Single : A 89 MET CE :methyl -149:sc= -0.0653 (180deg=-1.91) USER MOD Single : A 91 ASN : amide:sc= -0.05 K(o=-0.05,f=-1.6!) USER MOD Single : A 92 ASN : amide:sc= -0.189 K(o=-0.19,f=-1) USER MOD Single : A 94 CYS SG : rot -28:sc= -0.142 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.394 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -1.6 F(o=-2.5,f=-1.6) USER MOD Single : A 101 SER OG : rot 180:sc= -1.11 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS :FLIP no HE2:sc= -0.0679 F(o=-0.89,f=-0.068) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 18:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.370 14.714 -6.184 1.00 0.00 N ATOM 2 CA GLY A 1 12.755 16.101 -6.000 1.00 0.00 C ATOM 3 C GLY A 1 12.389 16.627 -4.626 1.00 0.00 C ATOM 4 O GLY A 1 13.122 16.421 -3.659 1.00 0.00 O ATOM 0 H1 GLY A 1 12.642 14.402 -7.138 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.851 14.123 -5.476 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.340 14.621 -6.070 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.830 16.199 -6.149 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.271 16.713 -6.761 1.00 0.00 H new ATOM 8 N SER A 2 11.252 17.311 -4.539 1.00 0.00 N ATOM 9 CA SER A 2 10.793 17.873 -3.274 1.00 0.00 C ATOM 10 C SER A 2 10.166 16.794 -2.396 1.00 0.00 C ATOM 11 O SER A 2 9.564 15.844 -2.895 1.00 0.00 O ATOM 12 CB SER A 2 9.782 18.992 -3.527 1.00 0.00 C ATOM 13 OG SER A 2 9.706 19.871 -2.418 1.00 0.00 O ATOM 0 H SER A 2 10.632 17.489 -5.329 1.00 0.00 H new ATOM 0 HA SER A 2 11.657 18.285 -2.752 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.068 19.550 -4.418 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.800 18.562 -3.722 1.00 0.00 H new ATOM 0 HG SER A 2 9.054 20.578 -2.605 1.00 0.00 H new ATOM 19 N SER A 3 10.313 16.949 -1.084 1.00 0.00 N ATOM 20 CA SER A 3 9.765 15.988 -0.135 1.00 0.00 C ATOM 21 C SER A 3 9.042 16.700 1.004 1.00 0.00 C ATOM 22 O SER A 3 9.672 17.267 1.896 1.00 0.00 O ATOM 23 CB SER A 3 10.879 15.103 0.428 1.00 0.00 C ATOM 24 OG SER A 3 11.431 14.275 -0.581 1.00 0.00 O ATOM 0 H SER A 3 10.807 17.731 -0.654 1.00 0.00 H new ATOM 0 HA SER A 3 9.046 15.363 -0.664 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.662 15.728 0.859 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.484 14.485 1.235 1.00 0.00 H new ATOM 0 HG SER A 3 12.142 13.720 -0.197 1.00 0.00 H new ATOM 30 N GLY A 4 7.713 16.666 0.967 1.00 0.00 N ATOM 31 CA GLY A 4 6.925 17.312 2.000 1.00 0.00 C ATOM 32 C GLY A 4 7.551 18.605 2.484 1.00 0.00 C ATOM 33 O GLY A 4 8.272 18.619 3.481 1.00 0.00 O ATOM 0 H GLY A 4 7.168 16.202 0.240 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.926 17.517 1.615 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.808 16.631 2.843 1.00 0.00 H new ATOM 37 N SER A 5 7.276 19.695 1.774 1.00 0.00 N ATOM 38 CA SER A 5 7.822 20.998 2.133 1.00 0.00 C ATOM 39 C SER A 5 7.911 21.152 3.648 1.00 0.00 C ATOM 40 O SER A 5 7.075 20.629 4.386 1.00 0.00 O ATOM 41 CB SER A 5 6.958 22.116 1.546 1.00 0.00 C ATOM 42 OG SER A 5 5.685 22.156 2.166 1.00 0.00 O ATOM 0 H SER A 5 6.679 19.701 0.947 1.00 0.00 H new ATOM 0 HA SER A 5 8.828 21.069 1.718 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.460 23.075 1.677 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.839 21.963 0.473 1.00 0.00 H new ATOM 0 HG SER A 5 5.153 22.880 1.774 1.00 0.00 H new ATOM 48 N SER A 6 8.930 21.871 4.105 1.00 0.00 N ATOM 49 CA SER A 6 9.132 22.091 5.533 1.00 0.00 C ATOM 50 C SER A 6 7.799 22.306 6.243 1.00 0.00 C ATOM 51 O SER A 6 7.093 23.279 5.981 1.00 0.00 O ATOM 52 CB SER A 6 10.045 23.298 5.761 1.00 0.00 C ATOM 53 OG SER A 6 10.275 23.509 7.143 1.00 0.00 O ATOM 0 H SER A 6 9.629 22.312 3.508 1.00 0.00 H new ATOM 0 HA SER A 6 9.606 21.202 5.949 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.995 23.141 5.251 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.592 24.188 5.324 1.00 0.00 H new ATOM 0 HG SER A 6 10.862 24.285 7.262 1.00 0.00 H new ATOM 59 N GLY A 7 7.461 21.389 7.144 1.00 0.00 N ATOM 60 CA GLY A 7 6.214 21.495 7.879 1.00 0.00 C ATOM 61 C GLY A 7 6.190 20.612 9.111 1.00 0.00 C ATOM 62 O GLY A 7 5.333 19.738 9.241 1.00 0.00 O ATOM 0 H GLY A 7 8.028 20.574 7.378 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.058 22.532 8.176 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.386 21.223 7.225 1.00 0.00 H new ATOM 66 N LYS A 8 7.134 20.839 10.018 1.00 0.00 N ATOM 67 CA LYS A 8 7.219 20.058 11.246 1.00 0.00 C ATOM 68 C LYS A 8 6.509 20.769 12.394 1.00 0.00 C ATOM 69 O LYS A 8 5.664 20.185 13.072 1.00 0.00 O ATOM 70 CB LYS A 8 8.683 19.808 11.616 1.00 0.00 C ATOM 71 CG LYS A 8 9.300 18.625 10.890 1.00 0.00 C ATOM 72 CD LYS A 8 9.109 17.333 11.667 1.00 0.00 C ATOM 73 CE LYS A 8 10.054 17.253 12.856 1.00 0.00 C ATOM 74 NZ LYS A 8 9.567 16.297 13.888 1.00 0.00 N ATOM 0 H LYS A 8 7.851 21.558 9.925 1.00 0.00 H new ATOM 0 HA LYS A 8 6.725 19.102 11.073 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.263 20.703 11.393 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.754 19.641 12.691 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.849 18.527 9.903 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.364 18.805 10.738 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.078 17.265 12.015 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.279 16.482 11.008 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.042 16.946 12.514 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.163 18.242 13.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.239 16.271 14.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.635 16.603 14.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.487 15.347 13.471 1.00 0.00 H new ATOM 88 N LYS A 9 6.856 22.034 12.605 1.00 0.00 N ATOM 89 CA LYS A 9 6.250 22.827 13.668 1.00 0.00 C ATOM 90 C LYS A 9 4.930 23.437 13.207 1.00 0.00 C ATOM 91 O LYS A 9 3.931 23.395 13.925 1.00 0.00 O ATOM 92 CB LYS A 9 7.207 23.934 14.116 1.00 0.00 C ATOM 93 CG LYS A 9 8.530 23.415 14.650 1.00 0.00 C ATOM 94 CD LYS A 9 8.426 23.026 16.115 1.00 0.00 C ATOM 95 CE LYS A 9 9.594 22.151 16.544 1.00 0.00 C ATOM 96 NZ LYS A 9 9.781 22.159 18.021 1.00 0.00 N ATOM 0 H LYS A 9 7.554 22.532 12.053 1.00 0.00 H new ATOM 0 HA LYS A 9 6.050 22.166 14.511 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.400 24.598 13.274 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.722 24.531 14.888 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.846 22.551 14.065 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.297 24.180 14.529 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.399 23.925 16.730 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.490 22.494 16.286 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.425 21.129 16.205 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.506 22.501 16.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.586 21.551 18.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.967 23.131 18.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.920 21.801 18.482 1.00 0.00 H new ATOM 110 N SER A 10 4.933 24.002 12.004 1.00 0.00 N ATOM 111 CA SER A 10 3.736 24.623 11.448 1.00 0.00 C ATOM 112 C SER A 10 3.365 23.988 10.111 1.00 0.00 C ATOM 113 O SER A 10 4.063 24.163 9.112 1.00 0.00 O ATOM 114 CB SER A 10 3.952 26.127 11.269 1.00 0.00 C ATOM 115 OG SER A 10 2.717 26.806 11.121 1.00 0.00 O ATOM 0 H SER A 10 5.751 24.043 11.396 1.00 0.00 H new ATOM 0 HA SER A 10 2.915 24.462 12.147 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.489 26.525 12.130 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.576 26.306 10.394 1.00 0.00 H new ATOM 0 HG SER A 10 2.882 27.766 11.010 1.00 0.00 H new ATOM 121 N LYS A 11 2.261 23.249 10.101 1.00 0.00 N ATOM 122 CA LYS A 11 1.795 22.587 8.888 1.00 0.00 C ATOM 123 C LYS A 11 0.334 22.929 8.609 1.00 0.00 C ATOM 124 O LYS A 11 -0.383 23.397 9.494 1.00 0.00 O ATOM 125 CB LYS A 11 1.960 21.071 9.014 1.00 0.00 C ATOM 126 CG LYS A 11 1.010 20.437 10.015 1.00 0.00 C ATOM 127 CD LYS A 11 0.934 18.930 9.834 1.00 0.00 C ATOM 128 CE LYS A 11 2.165 18.238 10.400 1.00 0.00 C ATOM 129 NZ LYS A 11 2.207 18.310 11.887 1.00 0.00 N ATOM 0 H LYS A 11 1.672 23.093 10.919 1.00 0.00 H new ATOM 0 HA LYS A 11 2.399 22.944 8.054 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.803 20.614 8.037 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.986 20.849 9.308 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.341 20.667 11.028 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.016 20.869 9.899 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.041 18.548 10.328 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.838 18.694 8.774 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.171 17.194 10.087 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.063 18.700 9.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.878 17.603 12.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.513 19.260 12.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.260 18.118 12.271 1.00 0.00 H new ATOM 143 N TYR A 12 -0.099 22.691 7.376 1.00 0.00 N ATOM 144 CA TYR A 12 -1.474 22.975 6.981 1.00 0.00 C ATOM 145 C TYR A 12 -2.263 21.683 6.790 1.00 0.00 C ATOM 146 O TYR A 12 -1.897 20.834 5.979 1.00 0.00 O ATOM 147 CB TYR A 12 -1.497 23.795 5.691 1.00 0.00 C ATOM 148 CG TYR A 12 -2.885 24.218 5.267 1.00 0.00 C ATOM 149 CD1 TYR A 12 -3.631 25.100 6.039 1.00 0.00 C ATOM 150 CD2 TYR A 12 -3.451 23.736 4.093 1.00 0.00 C ATOM 151 CE1 TYR A 12 -4.900 25.488 5.656 1.00 0.00 C ATOM 152 CE2 TYR A 12 -4.719 24.120 3.701 1.00 0.00 C ATOM 153 CZ TYR A 12 -5.439 24.996 4.486 1.00 0.00 C ATOM 154 OH TYR A 12 -6.703 25.381 4.100 1.00 0.00 O ATOM 0 H TYR A 12 0.482 22.302 6.633 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.943 23.552 7.778 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.880 24.684 5.824 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.044 23.210 4.890 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.211 25.489 6.955 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -2.890 23.049 3.476 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.467 26.173 6.269 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.144 23.736 2.785 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.933 24.945 3.253 1.00 0.00 H new ATOM 164 N MET A 13 -3.349 21.544 7.544 1.00 0.00 N ATOM 165 CA MET A 13 -4.192 20.358 7.457 1.00 0.00 C ATOM 166 C MET A 13 -4.802 20.225 6.065 1.00 0.00 C ATOM 167 O MET A 13 -5.947 20.616 5.838 1.00 0.00 O ATOM 168 CB MET A 13 -5.301 20.416 8.510 1.00 0.00 C ATOM 169 CG MET A 13 -5.872 19.053 8.867 1.00 0.00 C ATOM 170 SD MET A 13 -4.648 17.962 9.617 1.00 0.00 S ATOM 171 CE MET A 13 -5.189 17.970 11.324 1.00 0.00 C ATOM 0 H MET A 13 -3.665 22.238 8.221 1.00 0.00 H new ATOM 0 HA MET A 13 -3.568 19.484 7.645 1.00 0.00 H new ATOM 0 HB2 MET A 13 -4.909 20.885 9.413 1.00 0.00 H new ATOM 0 HB3 MET A 13 -6.106 21.053 8.144 1.00 0.00 H new ATOM 0 HG2 MET A 13 -6.708 19.182 9.555 1.00 0.00 H new ATOM 0 HG3 MET A 13 -6.269 18.583 7.967 1.00 0.00 H new ATOM 0 HE1 MET A 13 -4.529 17.338 11.918 1.00 0.00 H new ATOM 0 HE2 MET A 13 -5.160 18.989 11.710 1.00 0.00 H new ATOM 0 HE3 MET A 13 -6.208 17.588 11.384 1.00 0.00 H new ATOM 181 N THR A 14 -4.030 19.671 5.136 1.00 0.00 N ATOM 182 CA THR A 14 -4.494 19.488 3.766 1.00 0.00 C ATOM 183 C THR A 14 -5.612 18.455 3.698 1.00 0.00 C ATOM 184 O THR A 14 -5.659 17.503 4.477 1.00 0.00 O ATOM 185 CB THR A 14 -3.346 19.048 2.838 1.00 0.00 C ATOM 186 OG1 THR A 14 -2.462 18.164 3.538 1.00 0.00 O ATOM 187 CG2 THR A 14 -2.568 20.253 2.330 1.00 0.00 C ATOM 0 H THR A 14 -3.080 19.341 5.307 1.00 0.00 H new ATOM 0 HA THR A 14 -4.874 20.453 3.429 1.00 0.00 H new ATOM 0 HB THR A 14 -3.778 18.528 1.983 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.736 17.887 2.941 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.763 19.917 1.677 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.237 20.910 1.773 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.147 20.797 3.175 1.00 0.00 H new ATOM 195 N PRO A 15 -6.535 18.643 2.743 1.00 0.00 N ATOM 196 CA PRO A 15 -7.670 17.736 2.550 1.00 0.00 C ATOM 197 C PRO A 15 -7.241 16.379 2.004 1.00 0.00 C ATOM 198 O PRO A 15 -8.020 15.426 2.001 1.00 0.00 O ATOM 199 CB PRO A 15 -8.542 18.472 1.529 1.00 0.00 C ATOM 200 CG PRO A 15 -7.597 19.351 0.787 1.00 0.00 C ATOM 201 CD PRO A 15 -6.542 19.756 1.779 1.00 0.00 C ATOM 0 HA PRO A 15 -8.180 17.516 3.488 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -9.042 17.773 0.858 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -9.321 19.054 2.021 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.156 18.823 -0.059 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.110 20.224 0.385 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.570 19.881 1.303 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.786 20.703 2.260 1.00 0.00 H new ATOM 209 N MET A 16 -5.997 16.298 1.543 1.00 0.00 N ATOM 210 CA MET A 16 -5.464 15.056 0.995 1.00 0.00 C ATOM 211 C MET A 16 -5.006 14.123 2.112 1.00 0.00 C ATOM 212 O MET A 16 -5.233 12.914 2.053 1.00 0.00 O ATOM 213 CB MET A 16 -4.298 15.349 0.049 1.00 0.00 C ATOM 214 CG MET A 16 -3.260 14.240 0.002 1.00 0.00 C ATOM 215 SD MET A 16 -2.284 14.266 -1.514 1.00 0.00 S ATOM 216 CE MET A 16 -3.483 13.658 -2.698 1.00 0.00 C ATOM 0 H MET A 16 -5.339 17.078 1.538 1.00 0.00 H new ATOM 0 HA MET A 16 -6.260 14.563 0.436 1.00 0.00 H new ATOM 0 HB2 MET A 16 -4.688 15.513 -0.955 1.00 0.00 H new ATOM 0 HB3 MET A 16 -3.814 16.275 0.358 1.00 0.00 H new ATOM 0 HG2 MET A 16 -2.594 14.334 0.860 1.00 0.00 H new ATOM 0 HG3 MET A 16 -3.760 13.276 0.091 1.00 0.00 H new ATOM 0 HE1 MET A 16 -3.110 12.741 -3.155 1.00 0.00 H new ATOM 0 HE2 MET A 16 -4.425 13.453 -2.189 1.00 0.00 H new ATOM 0 HE3 MET A 16 -3.644 14.409 -3.471 1.00 0.00 H new ATOM 226 N GLN A 17 -4.362 14.691 3.126 1.00 0.00 N ATOM 227 CA GLN A 17 -3.872 13.908 4.254 1.00 0.00 C ATOM 228 C GLN A 17 -4.906 12.876 4.690 1.00 0.00 C ATOM 229 O GLN A 17 -4.569 11.725 4.965 1.00 0.00 O ATOM 230 CB GLN A 17 -3.525 14.827 5.427 1.00 0.00 C ATOM 231 CG GLN A 17 -2.879 14.102 6.596 1.00 0.00 C ATOM 232 CD GLN A 17 -2.550 15.031 7.748 1.00 0.00 C ATOM 233 OE1 GLN A 17 -1.602 15.935 7.529 1.00 0.00 O flip ATOM 234 NE2 GLN A 17 -3.141 14.938 8.825 1.00 0.00 N flip ATOM 0 H GLN A 17 -4.167 15.690 3.190 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.972 13.382 3.935 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.851 15.609 5.078 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.434 15.320 5.773 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.549 13.317 6.947 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -1.966 13.613 6.256 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.863 14.229 8.951 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.908 15.570 9.591 1.00 0.00 H new ATOM 243 N GLN A 18 -6.166 13.296 4.751 1.00 0.00 N ATOM 244 CA GLN A 18 -7.248 12.407 5.155 1.00 0.00 C ATOM 245 C GLN A 18 -7.544 11.380 4.068 1.00 0.00 C ATOM 246 O GLN A 18 -7.403 10.176 4.281 1.00 0.00 O ATOM 247 CB GLN A 18 -8.510 13.215 5.467 1.00 0.00 C ATOM 248 CG GLN A 18 -8.292 14.309 6.500 1.00 0.00 C ATOM 249 CD GLN A 18 -7.761 15.590 5.889 1.00 0.00 C ATOM 250 OE1 GLN A 18 -7.748 15.751 4.668 1.00 0.00 O ATOM 251 NE2 GLN A 18 -7.319 16.512 6.737 1.00 0.00 N ATOM 0 H GLN A 18 -6.462 14.246 4.526 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.932 11.877 6.053 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.880 13.665 4.546 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.286 12.538 5.825 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.234 14.516 7.008 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.592 13.955 7.257 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -7.348 16.337 7.741 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.950 17.395 6.384 1.00 0.00 H new ATOM 260 N LYS A 19 -7.955 11.863 2.900 1.00 0.00 N ATOM 261 CA LYS A 19 -8.270 10.988 1.778 1.00 0.00 C ATOM 262 C LYS A 19 -7.296 9.816 1.712 1.00 0.00 C ATOM 263 O LYS A 19 -7.649 8.727 1.255 1.00 0.00 O ATOM 264 CB LYS A 19 -8.229 11.773 0.465 1.00 0.00 C ATOM 265 CG LYS A 19 -9.179 11.239 -0.593 1.00 0.00 C ATOM 266 CD LYS A 19 -9.028 9.737 -0.771 1.00 0.00 C ATOM 267 CE LYS A 19 -9.746 9.249 -2.020 1.00 0.00 C ATOM 268 NZ LYS A 19 -11.182 8.957 -1.755 1.00 0.00 N ATOM 0 H LYS A 19 -8.078 12.857 2.706 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.275 10.594 1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.473 12.816 0.667 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.213 11.754 0.072 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.206 11.472 -0.312 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.987 11.740 -1.542 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.970 9.482 -0.835 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.428 9.224 0.104 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.667 10.004 -2.803 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.255 8.350 -2.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.636 8.627 -2.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.257 8.219 -1.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.656 9.821 -1.423 1.00 0.00 H new ATOM 282 N LEU A 20 -6.071 10.044 2.171 1.00 0.00 N ATOM 283 CA LEU A 20 -5.046 9.006 2.166 1.00 0.00 C ATOM 284 C LEU A 20 -5.326 7.959 3.240 1.00 0.00 C ATOM 285 O LEU A 20 -5.696 6.827 2.935 1.00 0.00 O ATOM 286 CB LEU A 20 -3.665 9.624 2.388 1.00 0.00 C ATOM 287 CG LEU A 20 -2.983 10.205 1.148 1.00 0.00 C ATOM 288 CD1 LEU A 20 -1.871 11.162 1.550 1.00 0.00 C ATOM 289 CD2 LEU A 20 -2.437 9.090 0.268 1.00 0.00 C ATOM 0 H LEU A 20 -5.763 10.939 2.552 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.065 8.516 1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.758 10.416 3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.012 8.862 2.814 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.725 10.762 0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.397 11.566 0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.289 11.978 2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.129 10.629 2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.955 9.522 -0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.709 8.506 0.831 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.255 8.443 -0.049 1.00 0.00 H new ATOM 301 N ASN A 21 -5.147 8.348 4.498 1.00 0.00 N ATOM 302 CA ASN A 21 -5.381 7.443 5.618 1.00 0.00 C ATOM 303 C ASN A 21 -6.714 6.718 5.461 1.00 0.00 C ATOM 304 O ASN A 21 -6.865 5.576 5.895 1.00 0.00 O ATOM 305 CB ASN A 21 -5.361 8.216 6.938 1.00 0.00 C ATOM 306 CG ASN A 21 -5.186 7.307 8.138 1.00 0.00 C ATOM 307 OD1 ASN A 21 -4.249 6.510 8.196 1.00 0.00 O ATOM 308 ND2 ASN A 21 -6.089 7.422 9.105 1.00 0.00 N ATOM 0 H ASN A 21 -4.841 9.283 4.768 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.582 6.701 5.627 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.551 8.945 6.917 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.291 8.776 7.042 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.022 6.836 9.937 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.849 8.096 9.015 1.00 0.00 H new ATOM 315 N GLU A 22 -7.678 7.389 4.838 1.00 0.00 N ATOM 316 CA GLU A 22 -8.997 6.807 4.624 1.00 0.00 C ATOM 317 C GLU A 22 -8.906 5.554 3.757 1.00 0.00 C ATOM 318 O GLU A 22 -9.336 4.474 4.162 1.00 0.00 O ATOM 319 CB GLU A 22 -9.929 7.828 3.967 1.00 0.00 C ATOM 320 CG GLU A 22 -10.451 8.882 4.928 1.00 0.00 C ATOM 321 CD GLU A 22 -11.669 9.609 4.391 1.00 0.00 C ATOM 322 OE1 GLU A 22 -11.512 10.408 3.444 1.00 0.00 O ATOM 323 OE2 GLU A 22 -12.778 9.380 4.917 1.00 0.00 O ATOM 0 H GLU A 22 -7.570 8.335 4.473 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.403 6.526 5.596 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.398 8.322 3.153 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.775 7.303 3.523 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.704 8.410 5.877 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.661 9.605 5.132 1.00 0.00 H new ATOM 330 N VAL A 23 -8.344 5.707 2.563 1.00 0.00 N ATOM 331 CA VAL A 23 -8.195 4.589 1.639 1.00 0.00 C ATOM 332 C VAL A 23 -7.390 3.459 2.269 1.00 0.00 C ATOM 333 O VAL A 23 -7.598 2.286 1.958 1.00 0.00 O ATOM 334 CB VAL A 23 -7.507 5.029 0.333 1.00 0.00 C ATOM 335 CG1 VAL A 23 -7.183 3.821 -0.533 1.00 0.00 C ATOM 336 CG2 VAL A 23 -8.382 6.017 -0.423 1.00 0.00 C ATOM 0 H VAL A 23 -7.984 6.595 2.212 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.199 4.231 1.410 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.571 5.527 0.586 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.697 4.151 -1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.515 3.152 0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.104 3.292 -0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.880 6.317 -1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.335 5.547 -0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.558 6.896 0.197 1.00 0.00 H new ATOM 346 N TYR A 24 -6.470 3.819 3.157 1.00 0.00 N ATOM 347 CA TYR A 24 -5.631 2.834 3.830 1.00 0.00 C ATOM 348 C TYR A 24 -6.478 1.869 4.654 1.00 0.00 C ATOM 349 O TYR A 24 -6.487 0.665 4.402 1.00 0.00 O ATOM 350 CB TYR A 24 -4.612 3.533 4.732 1.00 0.00 C ATOM 351 CG TYR A 24 -3.975 2.615 5.750 1.00 0.00 C ATOM 352 CD1 TYR A 24 -4.585 2.373 6.975 1.00 0.00 C ATOM 353 CD2 TYR A 24 -2.762 1.989 5.487 1.00 0.00 C ATOM 354 CE1 TYR A 24 -4.005 1.536 7.909 1.00 0.00 C ATOM 355 CE2 TYR A 24 -2.177 1.149 6.414 1.00 0.00 C ATOM 356 CZ TYR A 24 -2.802 0.926 7.624 1.00 0.00 C ATOM 357 OH TYR A 24 -2.222 0.090 8.550 1.00 0.00 O ATOM 0 H TYR A 24 -6.286 4.785 3.428 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.101 2.264 3.067 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.831 3.972 4.111 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -5.104 4.354 5.253 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.529 2.847 7.201 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.269 2.162 4.542 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.491 1.361 8.857 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.235 0.669 6.193 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.379 -0.259 8.193 1.00 0.00 H new ATOM 367 N GLU A 25 -7.190 2.409 5.639 1.00 0.00 N ATOM 368 CA GLU A 25 -8.040 1.596 6.500 1.00 0.00 C ATOM 369 C GLU A 25 -9.140 0.913 5.691 1.00 0.00 C ATOM 370 O GLU A 25 -9.731 -0.070 6.134 1.00 0.00 O ATOM 371 CB GLU A 25 -8.663 2.458 7.600 1.00 0.00 C ATOM 372 CG GLU A 25 -9.332 3.719 7.080 1.00 0.00 C ATOM 373 CD GLU A 25 -10.450 4.201 7.984 1.00 0.00 C ATOM 374 OE1 GLU A 25 -11.224 3.352 8.473 1.00 0.00 O ATOM 375 OE2 GLU A 25 -10.551 5.427 8.202 1.00 0.00 O ATOM 0 H GLU A 25 -7.195 3.405 5.860 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.418 0.827 6.958 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.398 1.864 8.143 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.888 2.736 8.314 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.586 4.507 6.980 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.731 3.530 6.084 1.00 0.00 H new ATOM 382 N ALA A 26 -9.407 1.443 4.502 1.00 0.00 N ATOM 383 CA ALA A 26 -10.433 0.885 3.630 1.00 0.00 C ATOM 384 C ALA A 26 -10.109 -0.556 3.253 1.00 0.00 C ATOM 385 O ALA A 26 -10.976 -1.429 3.289 1.00 0.00 O ATOM 386 CB ALA A 26 -10.585 1.739 2.379 1.00 0.00 C ATOM 0 H ALA A 26 -8.927 2.258 4.121 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.377 0.887 4.174 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.355 1.310 1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.872 2.752 2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.638 1.767 1.840 1.00 0.00 H new ATOM 392 N VAL A 27 -8.853 -0.800 2.889 1.00 0.00 N ATOM 393 CA VAL A 27 -8.414 -2.136 2.505 1.00 0.00 C ATOM 394 C VAL A 27 -8.281 -3.042 3.724 1.00 0.00 C ATOM 395 O VAL A 27 -8.583 -4.234 3.662 1.00 0.00 O ATOM 396 CB VAL A 27 -7.066 -2.092 1.762 1.00 0.00 C ATOM 397 CG1 VAL A 27 -6.571 -3.500 1.468 1.00 0.00 C ATOM 398 CG2 VAL A 27 -7.191 -1.283 0.480 1.00 0.00 C ATOM 0 H VAL A 27 -8.122 -0.089 2.852 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.175 -2.540 1.837 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.333 -1.603 2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.617 -3.448 0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.440 -4.043 2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.300 -4.020 0.846 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.229 -1.262 -0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.938 -1.742 -0.168 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.496 -0.265 0.721 1.00 0.00 H new ATOM 408 N LYS A 28 -7.826 -2.469 4.834 1.00 0.00 N ATOM 409 CA LYS A 28 -7.654 -3.223 6.070 1.00 0.00 C ATOM 410 C LYS A 28 -8.993 -3.746 6.579 1.00 0.00 C ATOM 411 O LYS A 28 -9.078 -4.857 7.101 1.00 0.00 O ATOM 412 CB LYS A 28 -6.997 -2.346 7.138 1.00 0.00 C ATOM 413 CG LYS A 28 -6.449 -3.132 8.317 1.00 0.00 C ATOM 414 CD LYS A 28 -5.780 -2.221 9.332 1.00 0.00 C ATOM 415 CE LYS A 28 -4.760 -2.975 10.171 1.00 0.00 C ATOM 416 NZ LYS A 28 -4.588 -2.364 11.518 1.00 0.00 N ATOM 0 H LYS A 28 -7.570 -1.484 4.902 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.008 -4.075 5.860 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.186 -1.778 6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.727 -1.623 7.502 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.259 -3.681 8.798 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.731 -3.871 7.961 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.289 -1.397 8.815 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.536 -1.783 9.984 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.076 -4.012 10.281 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.801 -2.987 9.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.885 -2.907 12.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.262 -1.382 11.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.497 -2.376 12.023 1.00 0.00 H new ATOM 430 N ASN A 29 -10.037 -2.939 6.422 1.00 0.00 N ATOM 431 CA ASN A 29 -11.373 -3.322 6.865 1.00 0.00 C ATOM 432 C ASN A 29 -11.983 -4.355 5.923 1.00 0.00 C ATOM 433 O ASN A 29 -12.712 -5.249 6.354 1.00 0.00 O ATOM 434 CB ASN A 29 -12.278 -2.092 6.947 1.00 0.00 C ATOM 435 CG ASN A 29 -11.752 -1.049 7.914 1.00 0.00 C ATOM 436 OD1 ASN A 29 -11.058 -1.375 8.877 1.00 0.00 O ATOM 437 ND2 ASN A 29 -12.081 0.212 7.661 1.00 0.00 N ATOM 0 H ASN A 29 -9.984 -2.016 5.991 1.00 0.00 H new ATOM 0 HA ASN A 29 -11.286 -3.767 7.856 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -12.374 -1.649 5.956 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -13.277 -2.399 7.257 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -11.756 0.957 8.277 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -12.659 0.436 6.851 1.00 0.00 H new ATOM 444 N TYR A 30 -11.680 -4.227 4.637 1.00 0.00 N ATOM 445 CA TYR A 30 -12.200 -5.148 3.633 1.00 0.00 C ATOM 446 C TYR A 30 -12.284 -6.567 4.187 1.00 0.00 C ATOM 447 O TYR A 30 -11.350 -7.054 4.825 1.00 0.00 O ATOM 448 CB TYR A 30 -11.316 -5.127 2.385 1.00 0.00 C ATOM 449 CG TYR A 30 -12.000 -5.664 1.149 1.00 0.00 C ATOM 450 CD1 TYR A 30 -12.964 -4.917 0.483 1.00 0.00 C ATOM 451 CD2 TYR A 30 -11.683 -6.920 0.645 1.00 0.00 C ATOM 452 CE1 TYR A 30 -13.593 -5.404 -0.646 1.00 0.00 C ATOM 453 CE2 TYR A 30 -12.306 -7.415 -0.484 1.00 0.00 C ATOM 454 CZ TYR A 30 -13.260 -6.654 -1.126 1.00 0.00 C ATOM 455 OH TYR A 30 -13.883 -7.143 -2.251 1.00 0.00 O ATOM 0 H TYR A 30 -11.077 -3.494 4.264 1.00 0.00 H new ATOM 0 HA TYR A 30 -13.205 -4.823 3.364 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.994 -4.103 2.196 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -10.418 -5.714 2.577 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.226 -3.938 0.855 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.936 -7.519 1.145 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -14.341 -4.810 -1.150 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -12.047 -8.393 -0.862 1.00 0.00 H new ATOM 0 HH TYR A 30 -13.534 -8.035 -2.457 1.00 0.00 H new ATOM 465 N THR A 31 -13.411 -7.226 3.938 1.00 0.00 N ATOM 466 CA THR A 31 -13.619 -8.589 4.411 1.00 0.00 C ATOM 467 C THR A 31 -14.256 -9.455 3.330 1.00 0.00 C ATOM 468 O THR A 31 -14.811 -8.943 2.358 1.00 0.00 O ATOM 469 CB THR A 31 -14.510 -8.617 5.667 1.00 0.00 C ATOM 470 OG1 THR A 31 -15.454 -7.541 5.623 1.00 0.00 O ATOM 471 CG2 THR A 31 -13.669 -8.510 6.930 1.00 0.00 C ATOM 0 H THR A 31 -14.194 -6.838 3.412 1.00 0.00 H new ATOM 0 HA THR A 31 -12.637 -8.990 4.662 1.00 0.00 H new ATOM 0 HB THR A 31 -15.044 -9.567 5.685 1.00 0.00 H new ATOM 0 HG1 THR A 31 -16.018 -7.567 6.424 1.00 0.00 H new ATOM 0 HG21 THR A 31 -14.320 -8.532 7.804 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.973 -9.347 6.975 1.00 0.00 H new ATOM 0 HG23 THR A 31 -13.111 -7.574 6.917 1.00 0.00 H new ATOM 479 N ASP A 32 -14.173 -10.769 3.507 1.00 0.00 N ATOM 480 CA ASP A 32 -14.743 -11.707 2.547 1.00 0.00 C ATOM 481 C ASP A 32 -16.257 -11.798 2.710 1.00 0.00 C ATOM 482 O ASP A 32 -16.848 -11.093 3.528 1.00 0.00 O ATOM 483 CB ASP A 32 -14.115 -13.091 2.718 1.00 0.00 C ATOM 484 CG ASP A 32 -14.204 -13.927 1.457 1.00 0.00 C ATOM 485 OD1 ASP A 32 -13.506 -13.597 0.475 1.00 0.00 O ATOM 486 OD2 ASP A 32 -14.970 -14.913 1.452 1.00 0.00 O ATOM 0 H ASP A 32 -13.717 -11.209 4.306 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.525 -11.340 1.544 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.069 -12.979 3.003 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.614 -13.615 3.534 1.00 0.00 H new ATOM 491 N LYS A 33 -16.880 -12.671 1.925 1.00 0.00 N ATOM 492 CA LYS A 33 -18.325 -12.855 1.981 1.00 0.00 C ATOM 493 C LYS A 33 -18.754 -13.376 3.349 1.00 0.00 C ATOM 494 O LYS A 33 -19.858 -13.092 3.814 1.00 0.00 O ATOM 495 CB LYS A 33 -18.779 -13.827 0.889 1.00 0.00 C ATOM 496 CG LYS A 33 -18.211 -15.227 1.046 1.00 0.00 C ATOM 497 CD LYS A 33 -19.101 -16.094 1.921 1.00 0.00 C ATOM 498 CE LYS A 33 -20.171 -16.799 1.102 1.00 0.00 C ATOM 499 NZ LYS A 33 -21.383 -15.952 0.927 1.00 0.00 N ATOM 0 H LYS A 33 -16.406 -13.262 1.242 1.00 0.00 H new ATOM 0 HA LYS A 33 -18.796 -11.886 1.816 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -19.868 -13.883 0.894 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -18.485 -13.431 -0.083 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.103 -15.689 0.065 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.214 -15.169 1.483 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.492 -16.834 2.440 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -19.574 -15.477 2.685 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -19.766 -17.061 0.124 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -20.448 -17.732 1.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -22.234 -16.548 0.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -21.416 -15.234 1.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -21.347 -15.482 0.000 1.00 0.00 H new ATOM 513 N ARG A 34 -17.874 -14.138 3.990 1.00 0.00 N ATOM 514 CA ARG A 34 -18.162 -14.698 5.305 1.00 0.00 C ATOM 515 C ARG A 34 -17.588 -13.815 6.409 1.00 0.00 C ATOM 516 O ARG A 34 -18.118 -13.767 7.518 1.00 0.00 O ATOM 517 CB ARG A 34 -17.589 -16.112 5.418 1.00 0.00 C ATOM 518 CG ARG A 34 -16.076 -16.169 5.275 1.00 0.00 C ATOM 519 CD ARG A 34 -15.624 -17.485 4.661 1.00 0.00 C ATOM 520 NE ARG A 34 -15.359 -18.501 5.676 1.00 0.00 N ATOM 521 CZ ARG A 34 -14.844 -19.694 5.405 1.00 0.00 C ATOM 522 NH1 ARG A 34 -14.538 -20.020 4.156 1.00 0.00 N ATOM 523 NH2 ARG A 34 -14.632 -20.565 6.383 1.00 0.00 N ATOM 0 H ARG A 34 -16.955 -14.382 3.620 1.00 0.00 H new ATOM 0 HA ARG A 34 -19.245 -14.742 5.424 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -17.870 -16.533 6.383 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -18.042 -16.741 4.652 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -15.737 -15.341 4.653 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.612 -16.044 6.253 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -16.391 -17.848 3.977 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.723 -17.319 4.071 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.582 -18.282 6.647 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -14.698 -19.353 3.401 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -14.142 -20.937 3.951 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -14.865 -20.318 7.345 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.236 -21.481 6.173 1.00 0.00 H new ATOM 537 N GLY A 35 -16.499 -13.118 6.097 1.00 0.00 N ATOM 538 CA GLY A 35 -15.871 -12.247 7.073 1.00 0.00 C ATOM 539 C GLY A 35 -14.445 -12.658 7.383 1.00 0.00 C ATOM 540 O GLY A 35 -14.078 -12.821 8.547 1.00 0.00 O ATOM 0 H GLY A 35 -16.041 -13.141 5.186 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -15.878 -11.223 6.699 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -16.456 -12.255 7.992 1.00 0.00 H new ATOM 544 N ARG A 36 -13.639 -12.826 6.339 1.00 0.00 N ATOM 545 CA ARG A 36 -12.246 -13.223 6.506 1.00 0.00 C ATOM 546 C ARG A 36 -11.306 -12.089 6.106 1.00 0.00 C ATOM 547 O ARG A 36 -11.277 -11.673 4.948 1.00 0.00 O ATOM 548 CB ARG A 36 -11.945 -14.468 5.670 1.00 0.00 C ATOM 549 CG ARG A 36 -12.744 -15.691 6.089 1.00 0.00 C ATOM 550 CD ARG A 36 -12.125 -16.372 7.300 1.00 0.00 C ATOM 551 NE ARG A 36 -12.489 -15.706 8.548 1.00 0.00 N ATOM 552 CZ ARG A 36 -11.803 -15.839 9.678 1.00 0.00 C ATOM 553 NH1 ARG A 36 -10.724 -16.608 9.717 1.00 0.00 N ATOM 554 NH2 ARG A 36 -12.197 -15.200 10.773 1.00 0.00 N ATOM 0 H ARG A 36 -13.927 -12.693 5.369 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.083 -13.453 7.559 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.152 -14.251 4.622 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.882 -14.696 5.744 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.768 -15.397 6.319 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.794 -16.396 5.259 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.449 -17.412 7.336 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.040 -16.380 7.196 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.314 -15.107 8.552 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.418 -17.100 8.878 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.200 -16.708 10.586 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.026 -14.607 10.747 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.670 -15.302 11.640 1.00 0.00 H new ATOM 568 N ARG A 37 -10.541 -11.593 7.073 1.00 0.00 N ATOM 569 CA ARG A 37 -9.602 -10.506 6.822 1.00 0.00 C ATOM 570 C ARG A 37 -8.418 -10.992 5.990 1.00 0.00 C ATOM 571 O ARG A 37 -7.698 -11.908 6.390 1.00 0.00 O ATOM 572 CB ARG A 37 -9.103 -9.920 8.144 1.00 0.00 C ATOM 573 CG ARG A 37 -8.681 -8.463 8.043 1.00 0.00 C ATOM 574 CD ARG A 37 -8.605 -7.809 9.414 1.00 0.00 C ATOM 575 NE ARG A 37 -7.325 -8.060 10.071 1.00 0.00 N ATOM 576 CZ ARG A 37 -7.112 -7.861 11.367 1.00 0.00 C ATOM 577 NH1 ARG A 37 -8.090 -7.410 12.141 1.00 0.00 N ATOM 578 NH2 ARG A 37 -5.920 -8.113 11.891 1.00 0.00 N ATOM 0 H ARG A 37 -10.553 -11.926 8.037 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.124 -9.730 6.262 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.891 -10.010 8.892 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.258 -10.511 8.498 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.710 -8.398 7.553 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.390 -7.920 7.418 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.755 -6.734 9.312 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.414 -8.185 10.040 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.552 -8.407 9.503 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.008 -7.215 11.741 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.924 -7.258 13.136 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.166 -8.460 11.299 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.758 -7.960 12.886 1.00 0.00 H new ATOM 592 N LEU A 38 -8.223 -10.372 4.831 1.00 0.00 N ATOM 593 CA LEU A 38 -7.127 -10.741 3.942 1.00 0.00 C ATOM 594 C LEU A 38 -5.873 -9.933 4.259 1.00 0.00 C ATOM 595 O LEU A 38 -4.774 -10.276 3.822 1.00 0.00 O ATOM 596 CB LEU A 38 -7.533 -10.524 2.483 1.00 0.00 C ATOM 597 CG LEU A 38 -8.978 -10.877 2.128 1.00 0.00 C ATOM 598 CD1 LEU A 38 -9.901 -9.704 2.419 1.00 0.00 C ATOM 599 CD2 LEU A 38 -9.082 -11.291 0.668 1.00 0.00 C ATOM 0 H LEU A 38 -8.809 -9.612 4.485 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.905 -11.797 4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.364 -9.477 2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.870 -11.115 1.851 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.289 -11.719 2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.925 -9.974 2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.848 -9.454 3.479 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.592 -8.842 1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.117 -11.539 0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.752 -10.469 0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.451 -12.162 0.491 1.00 0.00 H new ATOM 611 N SER A 39 -6.045 -8.859 5.023 1.00 0.00 N ATOM 612 CA SER A 39 -4.927 -8.001 5.397 1.00 0.00 C ATOM 613 C SER A 39 -4.164 -8.587 6.581 1.00 0.00 C ATOM 614 O SER A 39 -3.048 -8.168 6.884 1.00 0.00 O ATOM 615 CB SER A 39 -5.428 -6.597 5.744 1.00 0.00 C ATOM 616 OG SER A 39 -4.348 -5.690 5.884 1.00 0.00 O ATOM 0 H SER A 39 -6.947 -8.562 5.395 1.00 0.00 H new ATOM 0 HA SER A 39 -4.249 -7.938 4.546 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.103 -6.245 4.964 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.001 -6.631 6.671 1.00 0.00 H new ATOM 0 HG SER A 39 -3.596 -6.141 6.322 1.00 0.00 H new ATOM 622 N ALA A 40 -4.776 -9.561 7.247 1.00 0.00 N ATOM 623 CA ALA A 40 -4.155 -10.208 8.396 1.00 0.00 C ATOM 624 C ALA A 40 -2.803 -10.806 8.026 1.00 0.00 C ATOM 625 O ALA A 40 -1.872 -10.807 8.832 1.00 0.00 O ATOM 626 CB ALA A 40 -5.075 -11.283 8.957 1.00 0.00 C ATOM 0 H ALA A 40 -5.701 -9.919 7.010 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.989 -9.451 9.162 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.599 -11.758 9.815 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.016 -10.830 9.269 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.270 -12.032 8.189 1.00 0.00 H new ATOM 632 N ILE A 41 -2.702 -11.315 6.802 1.00 0.00 N ATOM 633 CA ILE A 41 -1.462 -11.916 6.326 1.00 0.00 C ATOM 634 C ILE A 41 -0.571 -10.878 5.652 1.00 0.00 C ATOM 635 O ILE A 41 0.514 -11.197 5.165 1.00 0.00 O ATOM 636 CB ILE A 41 -1.737 -13.061 5.333 1.00 0.00 C ATOM 637 CG1 ILE A 41 -0.444 -13.818 5.022 1.00 0.00 C ATOM 638 CG2 ILE A 41 -2.359 -12.517 4.056 1.00 0.00 C ATOM 639 CD1 ILE A 41 -0.664 -15.271 4.666 1.00 0.00 C ATOM 0 H ILE A 41 -3.463 -11.323 6.123 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.950 -12.318 7.200 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.442 -13.756 5.789 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.067 -13.324 4.196 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.218 -13.760 5.886 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.547 -13.338 3.364 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.299 -12.019 4.293 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.677 -11.803 3.594 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.296 -15.744 4.458 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.147 -15.781 5.500 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.300 -15.337 3.783 1.00 0.00 H new ATOM 651 N PHE A 42 -1.036 -9.633 5.630 1.00 0.00 N ATOM 652 CA PHE A 42 -0.281 -8.546 5.017 1.00 0.00 C ATOM 653 C PHE A 42 -0.076 -7.402 6.005 1.00 0.00 C ATOM 654 O PHE A 42 0.282 -6.289 5.618 1.00 0.00 O ATOM 655 CB PHE A 42 -1.004 -8.035 3.770 1.00 0.00 C ATOM 656 CG PHE A 42 -0.809 -8.908 2.563 1.00 0.00 C ATOM 657 CD1 PHE A 42 0.398 -8.913 1.883 1.00 0.00 C ATOM 658 CD2 PHE A 42 -1.833 -9.725 2.110 1.00 0.00 C ATOM 659 CE1 PHE A 42 0.579 -9.715 0.772 1.00 0.00 C ATOM 660 CE2 PHE A 42 -1.657 -10.529 1.000 1.00 0.00 C ATOM 661 CZ PHE A 42 -0.449 -10.525 0.331 1.00 0.00 C ATOM 0 H PHE A 42 -1.931 -9.352 6.029 1.00 0.00 H new ATOM 0 HA PHE A 42 0.696 -8.933 4.729 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.070 -7.958 3.984 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.651 -7.029 3.542 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.206 -8.283 2.225 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.779 -9.733 2.631 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.524 -9.708 0.249 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.463 -11.160 0.656 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.308 -11.154 -0.535 1.00 0.00 H new ATOM 671 N LEU A 43 -0.306 -7.683 7.283 1.00 0.00 N ATOM 672 CA LEU A 43 -0.148 -6.678 8.328 1.00 0.00 C ATOM 673 C LEU A 43 1.292 -6.179 8.390 1.00 0.00 C ATOM 674 O LEU A 43 1.546 -4.976 8.328 1.00 0.00 O ATOM 675 CB LEU A 43 -0.558 -7.255 9.684 1.00 0.00 C ATOM 676 CG LEU A 43 -2.037 -7.124 10.049 1.00 0.00 C ATOM 677 CD1 LEU A 43 -2.326 -7.826 11.368 1.00 0.00 C ATOM 678 CD2 LEU A 43 -2.441 -5.659 10.123 1.00 0.00 C ATOM 0 H LEU A 43 -0.603 -8.599 7.620 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.796 -5.835 8.088 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.292 -8.312 9.702 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.032 -6.765 10.458 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.627 -7.604 9.268 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.383 -7.722 11.611 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.076 -8.883 11.280 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.726 -7.376 12.159 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.497 -5.585 10.384 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.844 -5.155 10.883 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.273 -5.186 9.156 1.00 0.00 H new ATOM 690 N ARG A 44 2.232 -7.111 8.510 1.00 0.00 N ATOM 691 CA ARG A 44 3.646 -6.766 8.579 1.00 0.00 C ATOM 692 C ARG A 44 4.518 -7.993 8.328 1.00 0.00 C ATOM 693 O ARG A 44 4.030 -9.124 8.319 1.00 0.00 O ATOM 694 CB ARG A 44 3.980 -6.161 9.944 1.00 0.00 C ATOM 695 CG ARG A 44 3.757 -7.117 11.105 1.00 0.00 C ATOM 696 CD ARG A 44 3.996 -6.434 12.442 1.00 0.00 C ATOM 697 NE ARG A 44 3.285 -7.099 13.531 1.00 0.00 N ATOM 698 CZ ARG A 44 1.961 -7.164 13.613 1.00 0.00 C ATOM 699 NH1 ARG A 44 1.207 -6.608 12.675 1.00 0.00 N ATOM 700 NH2 ARG A 44 1.388 -7.788 14.635 1.00 0.00 N ATOM 0 H ARG A 44 2.039 -8.111 8.561 1.00 0.00 H new ATOM 0 HA ARG A 44 3.852 -6.029 7.802 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.021 -5.839 9.944 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.371 -5.270 10.096 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.738 -7.503 11.069 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.426 -7.972 11.007 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.064 -6.425 12.659 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.674 -5.394 12.381 1.00 0.00 H new ATOM 0 HE ARG A 44 3.836 -7.538 14.269 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.643 -6.129 11.888 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.190 -6.660 12.741 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.965 -8.218 15.358 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.371 -7.837 14.697 1.00 0.00 H new ATOM 714 N LEU A 45 5.810 -7.762 8.124 1.00 0.00 N ATOM 715 CA LEU A 45 6.751 -8.848 7.872 1.00 0.00 C ATOM 716 C LEU A 45 7.601 -9.130 9.107 1.00 0.00 C ATOM 717 O LEU A 45 7.833 -8.257 9.943 1.00 0.00 O ATOM 718 CB LEU A 45 7.653 -8.503 6.686 1.00 0.00 C ATOM 719 CG LEU A 45 6.963 -8.397 5.326 1.00 0.00 C ATOM 720 CD1 LEU A 45 7.879 -7.728 4.313 1.00 0.00 C ATOM 721 CD2 LEU A 45 6.537 -9.773 4.836 1.00 0.00 C ATOM 0 H LEU A 45 6.230 -6.833 8.128 1.00 0.00 H new ATOM 0 HA LEU A 45 6.178 -9.745 7.636 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.147 -7.554 6.895 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.434 -9.260 6.617 1.00 0.00 H new ATOM 0 HG LEU A 45 6.071 -7.781 5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.371 -7.661 3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.134 -6.726 4.659 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.790 -8.316 4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.048 -9.679 3.867 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.414 -10.412 4.739 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.843 -10.215 5.551 1.00 0.00 H new ATOM 733 N PRO A 46 8.079 -10.378 9.225 1.00 0.00 N ATOM 734 CA PRO A 46 8.913 -10.803 10.353 1.00 0.00 C ATOM 735 C PRO A 46 10.300 -10.170 10.319 1.00 0.00 C ATOM 736 O PRO A 46 10.674 -9.524 9.340 1.00 0.00 O ATOM 737 CB PRO A 46 9.012 -12.319 10.169 1.00 0.00 C ATOM 738 CG PRO A 46 8.801 -12.538 8.711 1.00 0.00 C ATOM 739 CD PRO A 46 7.842 -11.470 8.266 1.00 0.00 C ATOM 0 HA PRO A 46 8.488 -10.503 11.311 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.984 -12.694 10.489 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.259 -12.840 10.761 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.742 -12.469 8.166 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.395 -13.531 8.520 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.039 -11.155 7.241 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.809 -11.818 8.300 1.00 0.00 H new ATOM 747 N SER A 47 11.058 -10.360 11.394 1.00 0.00 N ATOM 748 CA SER A 47 12.404 -9.805 11.488 1.00 0.00 C ATOM 749 C SER A 47 13.292 -10.341 10.369 1.00 0.00 C ATOM 750 O SER A 47 13.049 -11.423 9.833 1.00 0.00 O ATOM 751 CB SER A 47 13.021 -10.137 12.848 1.00 0.00 C ATOM 752 OG SER A 47 12.667 -9.166 13.819 1.00 0.00 O ATOM 0 H SER A 47 10.764 -10.894 12.212 1.00 0.00 H new ATOM 0 HA SER A 47 12.332 -8.722 11.384 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.684 -11.121 13.173 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.106 -10.186 12.757 1.00 0.00 H new ATOM 0 HG SER A 47 13.072 -9.401 14.680 1.00 0.00 H new ATOM 758 N ARG A 48 14.322 -9.576 10.022 1.00 0.00 N ATOM 759 CA ARG A 48 15.247 -9.973 8.967 1.00 0.00 C ATOM 760 C ARG A 48 16.053 -11.199 9.383 1.00 0.00 C ATOM 761 O ARG A 48 16.325 -12.081 8.569 1.00 0.00 O ATOM 762 CB ARG A 48 16.192 -8.819 8.628 1.00 0.00 C ATOM 763 CG ARG A 48 17.149 -8.464 9.754 1.00 0.00 C ATOM 764 CD ARG A 48 17.559 -7.001 9.698 1.00 0.00 C ATOM 765 NE ARG A 48 18.625 -6.768 8.727 1.00 0.00 N ATOM 766 CZ ARG A 48 19.081 -5.561 8.412 1.00 0.00 C ATOM 767 NH1 ARG A 48 18.566 -4.483 8.988 1.00 0.00 N ATOM 768 NH2 ARG A 48 20.053 -5.430 7.519 1.00 0.00 N ATOM 0 H ARG A 48 14.537 -8.678 10.456 1.00 0.00 H new ATOM 0 HA ARG A 48 14.663 -10.227 8.083 1.00 0.00 H new ATOM 0 HB2 ARG A 48 16.769 -9.082 7.741 1.00 0.00 H new ATOM 0 HB3 ARG A 48 15.601 -7.939 8.374 1.00 0.00 H new ATOM 0 HG2 ARG A 48 16.677 -8.674 10.714 1.00 0.00 H new ATOM 0 HG3 ARG A 48 18.036 -9.094 9.691 1.00 0.00 H new ATOM 0 HD2 ARG A 48 16.693 -6.392 9.439 1.00 0.00 H new ATOM 0 HD3 ARG A 48 17.891 -6.680 10.685 1.00 0.00 H new ATOM 0 HE ARG A 48 19.042 -7.576 8.266 1.00 0.00 H new ATOM 0 HH11 ARG A 48 17.818 -4.580 9.675 1.00 0.00 H new ATOM 0 HH12 ARG A 48 18.918 -3.557 8.744 1.00 0.00 H new ATOM 0 HH21 ARG A 48 20.451 -6.257 7.073 1.00 0.00 H new ATOM 0 HH22 ARG A 48 20.402 -4.503 7.278 1.00 0.00 H new ATOM 782 N SER A 49 16.434 -11.247 10.656 1.00 0.00 N ATOM 783 CA SER A 49 17.213 -12.363 11.180 1.00 0.00 C ATOM 784 C SER A 49 16.371 -13.634 11.235 1.00 0.00 C ATOM 785 O SER A 49 16.905 -14.743 11.258 1.00 0.00 O ATOM 786 CB SER A 49 17.747 -12.030 12.574 1.00 0.00 C ATOM 787 OG SER A 49 18.952 -11.289 12.495 1.00 0.00 O ATOM 0 H SER A 49 16.216 -10.526 11.343 1.00 0.00 H new ATOM 0 HA SER A 49 18.054 -12.534 10.508 1.00 0.00 H new ATOM 0 HB2 SER A 49 17.001 -11.459 13.126 1.00 0.00 H new ATOM 0 HB3 SER A 49 17.919 -12.951 13.131 1.00 0.00 H new ATOM 0 HG SER A 49 19.272 -11.087 13.399 1.00 0.00 H new ATOM 793 N GLU A 50 15.053 -13.464 11.258 1.00 0.00 N ATOM 794 CA GLU A 50 14.138 -14.597 11.312 1.00 0.00 C ATOM 795 C GLU A 50 13.848 -15.130 9.911 1.00 0.00 C ATOM 796 O GLU A 50 14.197 -16.264 9.582 1.00 0.00 O ATOM 797 CB GLU A 50 12.830 -14.193 11.996 1.00 0.00 C ATOM 798 CG GLU A 50 12.933 -14.121 13.510 1.00 0.00 C ATOM 799 CD GLU A 50 11.576 -14.053 14.184 1.00 0.00 C ATOM 800 OE1 GLU A 50 10.604 -14.596 13.618 1.00 0.00 O ATOM 801 OE2 GLU A 50 11.487 -13.458 15.279 1.00 0.00 O ATOM 0 H GLU A 50 14.595 -12.553 11.240 1.00 0.00 H new ATOM 0 HA GLU A 50 14.614 -15.388 11.892 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.515 -13.221 11.615 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.053 -14.908 11.727 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.473 -14.994 13.876 1.00 0.00 H new ATOM 0 HG3 GLU A 50 13.518 -13.245 13.789 1.00 0.00 H new ATOM 808 N LEU A 51 13.207 -14.304 9.092 1.00 0.00 N ATOM 809 CA LEU A 51 12.869 -14.691 7.726 1.00 0.00 C ATOM 810 C LEU A 51 13.694 -13.899 6.716 1.00 0.00 C ATOM 811 O LEU A 51 13.180 -13.049 5.989 1.00 0.00 O ATOM 812 CB LEU A 51 11.378 -14.472 7.468 1.00 0.00 C ATOM 813 CG LEU A 51 10.763 -15.303 6.340 1.00 0.00 C ATOM 814 CD1 LEU A 51 10.471 -16.717 6.817 1.00 0.00 C ATOM 815 CD2 LEU A 51 9.495 -14.641 5.820 1.00 0.00 C ATOM 0 H LEU A 51 12.911 -13.362 9.349 1.00 0.00 H new ATOM 0 HA LEU A 51 13.101 -15.749 7.606 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.835 -14.687 8.388 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.220 -13.417 7.243 1.00 0.00 H new ATOM 0 HG LEU A 51 11.482 -15.359 5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.034 -17.293 6.001 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.398 -17.191 7.140 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.771 -16.682 7.652 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.071 -15.246 5.018 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.771 -14.554 6.630 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.733 -13.648 5.438 1.00 0.00 H new ATOM 827 N PRO A 52 15.003 -14.185 6.667 1.00 0.00 N ATOM 828 CA PRO A 52 15.926 -13.512 5.748 1.00 0.00 C ATOM 829 C PRO A 52 15.686 -13.906 4.295 1.00 0.00 C ATOM 830 O PRO A 52 16.233 -13.294 3.377 1.00 0.00 O ATOM 831 CB PRO A 52 17.303 -13.994 6.212 1.00 0.00 C ATOM 832 CG PRO A 52 17.043 -15.304 6.873 1.00 0.00 C ATOM 833 CD PRO A 52 15.684 -15.186 7.506 1.00 0.00 C ATOM 0 HA PRO A 52 15.808 -12.429 5.772 1.00 0.00 H new ATOM 0 HB2 PRO A 52 17.988 -14.104 5.371 1.00 0.00 H new ATOM 0 HB3 PRO A 52 17.758 -13.285 6.904 1.00 0.00 H new ATOM 0 HG2 PRO A 52 17.067 -16.118 6.149 1.00 0.00 H new ATOM 0 HG3 PRO A 52 17.805 -15.521 7.622 1.00 0.00 H new ATOM 0 HD2 PRO A 52 15.155 -16.139 7.503 1.00 0.00 H new ATOM 0 HD3 PRO A 52 15.751 -14.861 8.544 1.00 0.00 H new ATOM 841 N ASP A 53 14.866 -14.931 4.092 1.00 0.00 N ATOM 842 CA ASP A 53 14.552 -15.405 2.749 1.00 0.00 C ATOM 843 C ASP A 53 13.819 -14.332 1.951 1.00 0.00 C ATOM 844 O ASP A 53 14.203 -14.009 0.827 1.00 0.00 O ATOM 845 CB ASP A 53 13.703 -16.676 2.820 1.00 0.00 C ATOM 846 CG ASP A 53 14.333 -17.745 3.691 1.00 0.00 C ATOM 847 OD1 ASP A 53 15.536 -18.027 3.508 1.00 0.00 O ATOM 848 OD2 ASP A 53 13.623 -18.300 4.555 1.00 0.00 O ATOM 0 H ASP A 53 14.407 -15.450 4.840 1.00 0.00 H new ATOM 0 HA ASP A 53 15.490 -15.631 2.241 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.716 -16.429 3.210 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.559 -17.070 1.814 1.00 0.00 H new ATOM 853 N TYR A 54 12.761 -13.785 2.539 1.00 0.00 N ATOM 854 CA TYR A 54 11.971 -12.751 1.881 1.00 0.00 C ATOM 855 C TYR A 54 12.863 -11.616 1.387 1.00 0.00 C ATOM 856 O TYR A 54 12.678 -11.101 0.284 1.00 0.00 O ATOM 857 CB TYR A 54 10.912 -12.202 2.839 1.00 0.00 C ATOM 858 CG TYR A 54 9.807 -11.436 2.146 1.00 0.00 C ATOM 859 CD1 TYR A 54 10.043 -10.180 1.601 1.00 0.00 C ATOM 860 CD2 TYR A 54 8.528 -11.967 2.038 1.00 0.00 C ATOM 861 CE1 TYR A 54 9.038 -9.476 0.967 1.00 0.00 C ATOM 862 CE2 TYR A 54 7.517 -11.271 1.405 1.00 0.00 C ATOM 863 CZ TYR A 54 7.776 -10.026 0.872 1.00 0.00 C ATOM 864 OH TYR A 54 6.771 -9.329 0.242 1.00 0.00 O ATOM 0 H TYR A 54 12.431 -14.040 3.470 1.00 0.00 H new ATOM 0 HA TYR A 54 11.475 -13.200 1.021 1.00 0.00 H new ATOM 0 HB2 TYR A 54 10.474 -13.030 3.396 1.00 0.00 H new ATOM 0 HB3 TYR A 54 11.395 -11.549 3.566 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.029 -9.747 1.674 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.321 -12.941 2.456 1.00 0.00 H new ATOM 0 HE1 TYR A 54 9.239 -8.501 0.548 1.00 0.00 H new ATOM 0 HE2 TYR A 54 6.529 -11.700 1.328 1.00 0.00 H new ATOM 0 HH TYR A 54 5.945 -9.857 0.261 1.00 0.00 H new ATOM 874 N TYR A 55 13.830 -11.231 2.212 1.00 0.00 N ATOM 875 CA TYR A 55 14.750 -10.156 1.862 1.00 0.00 C ATOM 876 C TYR A 55 15.627 -10.553 0.679 1.00 0.00 C ATOM 877 O TYR A 55 16.217 -9.701 0.013 1.00 0.00 O ATOM 878 CB TYR A 55 15.627 -9.795 3.062 1.00 0.00 C ATOM 879 CG TYR A 55 15.031 -8.724 3.948 1.00 0.00 C ATOM 880 CD1 TYR A 55 14.741 -7.462 3.445 1.00 0.00 C ATOM 881 CD2 TYR A 55 14.760 -8.974 5.287 1.00 0.00 C ATOM 882 CE1 TYR A 55 14.196 -6.480 4.250 1.00 0.00 C ATOM 883 CE2 TYR A 55 14.214 -7.998 6.099 1.00 0.00 C ATOM 884 CZ TYR A 55 13.935 -6.753 5.576 1.00 0.00 C ATOM 885 OH TYR A 55 13.393 -5.778 6.382 1.00 0.00 O ATOM 0 H TYR A 55 13.997 -11.648 3.128 1.00 0.00 H new ATOM 0 HA TYR A 55 14.159 -9.285 1.577 1.00 0.00 H new ATOM 0 HB2 TYR A 55 15.801 -10.692 3.657 1.00 0.00 H new ATOM 0 HB3 TYR A 55 16.599 -9.458 2.702 1.00 0.00 H new ATOM 0 HD1 TYR A 55 14.945 -7.245 2.407 1.00 0.00 H new ATOM 0 HD2 TYR A 55 14.980 -9.947 5.701 1.00 0.00 H new ATOM 0 HE1 TYR A 55 13.976 -5.504 3.843 1.00 0.00 H new ATOM 0 HE2 TYR A 55 14.007 -8.209 7.138 1.00 0.00 H new ATOM 0 HH TYR A 55 13.270 -6.133 7.287 1.00 0.00 H new ATOM 895 N LEU A 56 15.708 -11.854 0.421 1.00 0.00 N ATOM 896 CA LEU A 56 16.512 -12.367 -0.682 1.00 0.00 C ATOM 897 C LEU A 56 15.699 -12.414 -1.972 1.00 0.00 C ATOM 898 O LEU A 56 16.046 -11.768 -2.962 1.00 0.00 O ATOM 899 CB LEU A 56 17.040 -13.763 -0.348 1.00 0.00 C ATOM 900 CG LEU A 56 18.129 -13.831 0.723 1.00 0.00 C ATOM 901 CD1 LEU A 56 18.213 -15.231 1.311 1.00 0.00 C ATOM 902 CD2 LEU A 56 19.472 -13.411 0.145 1.00 0.00 C ATOM 0 H LEU A 56 15.226 -12.573 0.961 1.00 0.00 H new ATOM 0 HA LEU A 56 17.355 -11.692 -0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.201 -14.379 -0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.429 -14.211 -1.262 1.00 0.00 H new ATOM 0 HG LEU A 56 17.868 -13.139 1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 56 18.993 -15.260 2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 56 17.256 -15.494 1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.449 -15.944 0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 56 20.235 -13.465 0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 56 19.740 -14.078 -0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 56 19.405 -12.388 -0.226 1.00 0.00 H new ATOM 914 N THR A 57 14.613 -13.181 -1.955 1.00 0.00 N ATOM 915 CA THR A 57 13.750 -13.310 -3.122 1.00 0.00 C ATOM 916 C THR A 57 13.370 -11.944 -3.679 1.00 0.00 C ATOM 917 O THR A 57 13.621 -11.648 -4.848 1.00 0.00 O ATOM 918 CB THR A 57 12.466 -14.091 -2.786 1.00 0.00 C ATOM 919 OG1 THR A 57 11.552 -14.028 -3.887 1.00 0.00 O ATOM 920 CG2 THR A 57 11.802 -13.530 -1.538 1.00 0.00 C ATOM 0 H THR A 57 14.311 -13.722 -1.145 1.00 0.00 H new ATOM 0 HA THR A 57 14.315 -13.860 -3.874 1.00 0.00 H new ATOM 0 HB THR A 57 12.738 -15.130 -2.598 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.903 -14.759 -3.816 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.897 -14.098 -1.321 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.489 -13.606 -0.695 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.543 -12.484 -1.702 1.00 0.00 H new ATOM 928 N ILE A 58 12.764 -11.114 -2.837 1.00 0.00 N ATOM 929 CA ILE A 58 12.351 -9.777 -3.246 1.00 0.00 C ATOM 930 C ILE A 58 13.419 -8.743 -2.904 1.00 0.00 C ATOM 931 O ILE A 58 13.789 -8.578 -1.741 1.00 0.00 O ATOM 932 CB ILE A 58 11.025 -9.369 -2.579 1.00 0.00 C ATOM 933 CG1 ILE A 58 9.879 -10.242 -3.097 1.00 0.00 C ATOM 934 CG2 ILE A 58 10.734 -7.898 -2.835 1.00 0.00 C ATOM 935 CD1 ILE A 58 9.904 -10.445 -4.596 1.00 0.00 C ATOM 0 H ILE A 58 12.548 -11.344 -1.867 1.00 0.00 H new ATOM 0 HA ILE A 58 12.210 -9.807 -4.326 1.00 0.00 H new ATOM 0 HB ILE A 58 11.115 -9.520 -1.503 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.923 -11.214 -2.606 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.930 -9.786 -2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.793 -7.625 -2.357 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.540 -7.291 -2.423 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.660 -7.723 -3.908 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.064 -11.073 -4.892 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.829 -9.479 -5.095 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.838 -10.930 -4.882 1.00 0.00 H new ATOM 947 N LYS A 59 13.909 -8.047 -3.924 1.00 0.00 N ATOM 948 CA LYS A 59 14.932 -7.026 -3.733 1.00 0.00 C ATOM 949 C LYS A 59 14.336 -5.771 -3.103 1.00 0.00 C ATOM 950 O LYS A 59 14.987 -5.095 -2.305 1.00 0.00 O ATOM 951 CB LYS A 59 15.589 -6.676 -5.070 1.00 0.00 C ATOM 952 CG LYS A 59 14.602 -6.549 -6.217 1.00 0.00 C ATOM 953 CD LYS A 59 14.462 -7.857 -6.979 1.00 0.00 C ATOM 954 CE LYS A 59 15.440 -7.932 -8.141 1.00 0.00 C ATOM 955 NZ LYS A 59 15.196 -6.857 -9.142 1.00 0.00 N ATOM 0 H LYS A 59 13.614 -8.172 -4.892 1.00 0.00 H new ATOM 0 HA LYS A 59 15.688 -7.426 -3.058 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.132 -5.737 -4.964 1.00 0.00 H new ATOM 0 HB3 LYS A 59 16.323 -7.443 -5.317 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.629 -6.247 -5.829 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.932 -5.764 -6.897 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.634 -8.694 -6.302 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.443 -7.954 -7.353 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.459 -7.852 -7.763 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.355 -8.905 -8.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.490 -7.186 -10.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.183 -6.621 -9.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.744 -6.012 -8.884 1.00 0.00 H new ATOM 969 N LYS A 60 13.095 -5.464 -3.465 1.00 0.00 N ATOM 970 CA LYS A 60 12.410 -4.292 -2.934 1.00 0.00 C ATOM 971 C LYS A 60 11.143 -4.695 -2.187 1.00 0.00 C ATOM 972 O LYS A 60 10.035 -4.646 -2.722 1.00 0.00 O ATOM 973 CB LYS A 60 12.061 -3.323 -4.066 1.00 0.00 C ATOM 974 CG LYS A 60 11.746 -1.916 -3.588 1.00 0.00 C ATOM 975 CD LYS A 60 11.028 -1.111 -4.658 1.00 0.00 C ATOM 976 CE LYS A 60 10.582 0.244 -4.130 1.00 0.00 C ATOM 977 NZ LYS A 60 9.892 1.047 -5.178 1.00 0.00 N ATOM 0 H LYS A 60 12.543 -6.012 -4.125 1.00 0.00 H new ATOM 0 HA LYS A 60 13.082 -3.796 -2.234 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.895 -3.281 -4.767 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.203 -3.712 -4.614 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.127 -1.965 -2.692 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.670 -1.410 -3.310 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.689 -0.970 -5.513 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.161 -1.668 -5.013 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.912 0.101 -3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.448 0.794 -3.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.603 1.963 -4.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.539 1.205 -5.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.051 0.534 -5.511 1.00 0.00 H new ATOM 991 N PRO A 61 11.306 -5.101 -0.919 1.00 0.00 N ATOM 992 CA PRO A 61 10.186 -5.517 -0.071 1.00 0.00 C ATOM 993 C PRO A 61 9.286 -4.349 0.317 1.00 0.00 C ATOM 994 O PRO A 61 9.761 -3.238 0.548 1.00 0.00 O ATOM 995 CB PRO A 61 10.875 -6.095 1.168 1.00 0.00 C ATOM 996 CG PRO A 61 12.201 -5.417 1.215 1.00 0.00 C ATOM 997 CD PRO A 61 12.598 -5.184 -0.216 1.00 0.00 C ATOM 0 HA PRO A 61 9.530 -6.223 -0.580 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.297 -5.897 2.071 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.986 -7.177 1.091 1.00 0.00 H new ATOM 0 HG2 PRO A 61 12.139 -4.476 1.761 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.937 -6.035 1.729 1.00 0.00 H new ATOM 0 HD2 PRO A 61 13.176 -4.267 -0.328 1.00 0.00 H new ATOM 0 HD3 PRO A 61 13.213 -5.998 -0.600 1.00 0.00 H new ATOM 1005 N MET A 62 7.985 -4.608 0.386 1.00 0.00 N ATOM 1006 CA MET A 62 7.019 -3.577 0.748 1.00 0.00 C ATOM 1007 C MET A 62 5.923 -4.148 1.642 1.00 0.00 C ATOM 1008 O MET A 62 5.138 -4.995 1.214 1.00 0.00 O ATOM 1009 CB MET A 62 6.399 -2.965 -0.510 1.00 0.00 C ATOM 1010 CG MET A 62 5.304 -1.953 -0.217 1.00 0.00 C ATOM 1011 SD MET A 62 5.937 -0.442 0.535 1.00 0.00 S ATOM 1012 CE MET A 62 7.183 0.035 -0.660 1.00 0.00 C ATOM 0 H MET A 62 7.575 -5.522 0.196 1.00 0.00 H new ATOM 0 HA MET A 62 7.546 -2.799 1.301 1.00 0.00 H new ATOM 0 HB2 MET A 62 7.183 -2.481 -1.093 1.00 0.00 H new ATOM 0 HB3 MET A 62 5.989 -3.763 -1.128 1.00 0.00 H new ATOM 0 HG2 MET A 62 4.788 -1.704 -1.144 1.00 0.00 H new ATOM 0 HG3 MET A 62 4.567 -2.404 0.448 1.00 0.00 H new ATOM 0 HE1 MET A 62 7.386 1.102 -0.567 1.00 0.00 H new ATOM 0 HE2 MET A 62 8.099 -0.526 -0.475 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.823 -0.180 -1.666 1.00 0.00 H new ATOM 1022 N ASP A 63 5.876 -3.681 2.884 1.00 0.00 N ATOM 1023 CA ASP A 63 4.875 -4.145 3.839 1.00 0.00 C ATOM 1024 C ASP A 63 3.971 -2.997 4.279 1.00 0.00 C ATOM 1025 O ASP A 63 4.351 -1.829 4.199 1.00 0.00 O ATOM 1026 CB ASP A 63 5.554 -4.772 5.057 1.00 0.00 C ATOM 1027 CG ASP A 63 5.942 -3.742 6.098 1.00 0.00 C ATOM 1028 OD1 ASP A 63 6.130 -2.565 5.727 1.00 0.00 O ATOM 1029 OD2 ASP A 63 6.059 -4.112 7.286 1.00 0.00 O ATOM 0 H ASP A 63 6.519 -2.981 3.254 1.00 0.00 H new ATOM 0 HA ASP A 63 4.261 -4.899 3.347 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.883 -5.504 5.507 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.444 -5.312 4.735 1.00 0.00 H new ATOM 1034 N MET A 64 2.774 -3.339 4.744 1.00 0.00 N ATOM 1035 CA MET A 64 1.816 -2.337 5.197 1.00 0.00 C ATOM 1036 C MET A 64 2.488 -1.317 6.111 1.00 0.00 C ATOM 1037 O MET A 64 2.490 -0.120 5.824 1.00 0.00 O ATOM 1038 CB MET A 64 0.653 -3.008 5.931 1.00 0.00 C ATOM 1039 CG MET A 64 -0.492 -3.409 5.016 1.00 0.00 C ATOM 1040 SD MET A 64 -1.660 -2.064 4.734 1.00 0.00 S ATOM 1041 CE MET A 64 -3.139 -2.737 5.486 1.00 0.00 C ATOM 0 H MET A 64 2.444 -4.302 4.817 1.00 0.00 H new ATOM 0 HA MET A 64 1.431 -1.816 4.321 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.023 -3.894 6.447 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.276 -2.328 6.695 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.088 -3.741 4.059 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.019 -4.258 5.451 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.854 -1.934 5.666 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.583 -3.475 4.818 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.882 -3.212 6.433 1.00 0.00 H new ATOM 1051 N GLU A 65 3.057 -1.799 7.211 1.00 0.00 N ATOM 1052 CA GLU A 65 3.731 -0.927 8.166 1.00 0.00 C ATOM 1053 C GLU A 65 4.455 0.209 7.449 1.00 0.00 C ATOM 1054 O GLU A 65 4.385 1.366 7.865 1.00 0.00 O ATOM 1055 CB GLU A 65 4.726 -1.728 9.009 1.00 0.00 C ATOM 1056 CG GLU A 65 4.064 -2.714 9.958 1.00 0.00 C ATOM 1057 CD GLU A 65 3.540 -2.049 11.216 1.00 0.00 C ATOM 1058 OE1 GLU A 65 2.987 -0.934 11.113 1.00 0.00 O ATOM 1059 OE2 GLU A 65 3.682 -2.646 12.304 1.00 0.00 O ATOM 0 H GLU A 65 3.065 -2.787 7.463 1.00 0.00 H new ATOM 0 HA GLU A 65 2.974 -0.496 8.822 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.398 -2.271 8.344 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.339 -1.036 9.587 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.241 -3.211 9.444 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.782 -3.487 10.232 1.00 0.00 H new ATOM 1066 N LYS A 66 5.151 -0.129 6.369 1.00 0.00 N ATOM 1067 CA LYS A 66 5.888 0.861 5.592 1.00 0.00 C ATOM 1068 C LYS A 66 4.972 1.998 5.150 1.00 0.00 C ATOM 1069 O LYS A 66 5.264 3.170 5.388 1.00 0.00 O ATOM 1070 CB LYS A 66 6.529 0.203 4.368 1.00 0.00 C ATOM 1071 CG LYS A 66 7.679 1.004 3.780 1.00 0.00 C ATOM 1072 CD LYS A 66 8.625 0.119 2.986 1.00 0.00 C ATOM 1073 CE LYS A 66 10.049 0.652 3.022 1.00 0.00 C ATOM 1074 NZ LYS A 66 10.752 0.272 4.279 1.00 0.00 N ATOM 0 H LYS A 66 5.220 -1.082 6.011 1.00 0.00 H new ATOM 0 HA LYS A 66 6.671 1.275 6.227 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.891 -0.787 4.646 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.767 0.060 3.602 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.285 1.788 3.134 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.228 1.497 4.582 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.604 -0.893 3.390 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.285 0.056 1.952 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.603 0.267 2.166 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.033 1.738 2.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.719 0.654 4.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.238 0.661 5.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.790 -0.764 4.356 1.00 0.00 H new ATOM 1088 N ILE A 67 3.863 1.643 4.509 1.00 0.00 N ATOM 1089 CA ILE A 67 2.904 2.634 4.037 1.00 0.00 C ATOM 1090 C ILE A 67 2.570 3.641 5.133 1.00 0.00 C ATOM 1091 O ILE A 67 2.837 4.835 4.995 1.00 0.00 O ATOM 1092 CB ILE A 67 1.602 1.971 3.551 1.00 0.00 C ATOM 1093 CG1 ILE A 67 1.827 1.283 2.203 1.00 0.00 C ATOM 1094 CG2 ILE A 67 0.489 3.002 3.446 1.00 0.00 C ATOM 1095 CD1 ILE A 67 2.348 -0.132 2.325 1.00 0.00 C ATOM 0 H ILE A 67 3.607 0.677 4.305 1.00 0.00 H new ATOM 0 HA ILE A 67 3.372 3.152 3.200 1.00 0.00 H new ATOM 0 HB ILE A 67 1.303 1.216 4.278 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.888 1.269 1.650 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.533 1.872 1.617 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.424 2.517 3.101 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.315 3.450 4.424 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.778 3.778 2.737 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.484 -0.557 1.330 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.303 -0.124 2.850 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.633 -0.736 2.883 1.00 0.00 H new ATOM 1107 N ARG A 68 1.986 3.151 6.221 1.00 0.00 N ATOM 1108 CA ARG A 68 1.616 4.007 7.341 1.00 0.00 C ATOM 1109 C ARG A 68 2.796 4.870 7.779 1.00 0.00 C ATOM 1110 O ARG A 68 2.679 6.091 7.884 1.00 0.00 O ATOM 1111 CB ARG A 68 1.125 3.161 8.517 1.00 0.00 C ATOM 1112 CG ARG A 68 0.125 3.879 9.409 1.00 0.00 C ATOM 1113 CD ARG A 68 -0.239 3.042 10.625 1.00 0.00 C ATOM 1114 NE ARG A 68 0.926 2.743 11.452 1.00 0.00 N ATOM 1115 CZ ARG A 68 0.872 2.013 12.561 1.00 0.00 C ATOM 1116 NH1 ARG A 68 -0.283 1.511 12.973 1.00 0.00 N ATOM 1117 NH2 ARG A 68 1.977 1.785 13.260 1.00 0.00 N ATOM 0 H ARG A 68 1.759 2.165 6.351 1.00 0.00 H new ATOM 0 HA ARG A 68 0.810 4.663 7.013 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.667 2.250 8.132 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.982 2.857 9.118 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.544 4.831 9.734 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.776 4.105 8.839 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.980 3.573 11.222 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.701 2.110 10.299 1.00 0.00 H new ATOM 0 HE ARG A 68 1.831 3.115 11.163 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.134 1.684 12.438 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.321 0.951 13.825 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.868 2.170 12.946 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.935 1.225 14.111 1.00 0.00 H new ATOM 1131 N SER A 69 3.931 4.227 8.032 1.00 0.00 N ATOM 1132 CA SER A 69 5.131 4.934 8.463 1.00 0.00 C ATOM 1133 C SER A 69 5.272 6.262 7.725 1.00 0.00 C ATOM 1134 O SER A 69 5.145 7.333 8.320 1.00 0.00 O ATOM 1135 CB SER A 69 6.371 4.071 8.224 1.00 0.00 C ATOM 1136 OG SER A 69 6.315 2.877 8.986 1.00 0.00 O ATOM 0 H SER A 69 4.045 3.217 7.946 1.00 0.00 H new ATOM 0 HA SER A 69 5.040 5.138 9.530 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.450 3.827 7.165 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.266 4.634 8.489 1.00 0.00 H new ATOM 0 HG SER A 69 5.794 2.203 8.501 1.00 0.00 H new ATOM 1142 N HIS A 70 5.537 6.184 6.425 1.00 0.00 N ATOM 1143 CA HIS A 70 5.696 7.380 5.604 1.00 0.00 C ATOM 1144 C HIS A 70 4.415 8.208 5.597 1.00 0.00 C ATOM 1145 O HIS A 70 4.450 9.425 5.777 1.00 0.00 O ATOM 1146 CB HIS A 70 6.076 6.995 4.174 1.00 0.00 C ATOM 1147 CG HIS A 70 7.445 6.397 4.058 1.00 0.00 C ATOM 1148 ND1 HIS A 70 7.756 5.136 4.521 1.00 0.00 N ATOM 1149 CD2 HIS A 70 8.586 6.894 3.527 1.00 0.00 C ATOM 1150 CE1 HIS A 70 9.031 4.884 4.281 1.00 0.00 C ATOM 1151 NE2 HIS A 70 9.557 5.934 3.678 1.00 0.00 N ATOM 0 H HIS A 70 5.646 5.306 5.917 1.00 0.00 H new ATOM 0 HA HIS A 70 6.495 7.983 6.035 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.344 6.284 3.791 1.00 0.00 H new ATOM 0 HB3 HIS A 70 6.021 7.881 3.541 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.710 7.864 3.070 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.554 3.974 4.535 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.527 6.019 3.374 1.00 0.00 H new ATOM 1160 N MET A 71 3.285 7.540 5.387 1.00 0.00 N ATOM 1161 CA MET A 71 1.993 8.215 5.357 1.00 0.00 C ATOM 1162 C MET A 71 1.805 9.084 6.596 1.00 0.00 C ATOM 1163 O MET A 71 1.114 10.102 6.552 1.00 0.00 O ATOM 1164 CB MET A 71 0.860 7.191 5.261 1.00 0.00 C ATOM 1165 CG MET A 71 -0.525 7.816 5.244 1.00 0.00 C ATOM 1166 SD MET A 71 -1.821 6.623 4.858 1.00 0.00 S ATOM 1167 CE MET A 71 -1.718 5.539 6.280 1.00 0.00 C ATOM 0 H MET A 71 3.238 6.532 5.235 1.00 0.00 H new ATOM 0 HA MET A 71 1.967 8.858 4.477 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.993 6.598 4.356 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.929 6.505 6.105 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.728 8.266 6.216 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.547 8.621 4.509 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.723 5.284 6.617 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.186 4.628 6.006 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.183 6.044 7.084 1.00 0.00 H new ATOM 1177 N MET A 72 2.423 8.676 7.699 1.00 0.00 N ATOM 1178 CA MET A 72 2.323 9.419 8.950 1.00 0.00 C ATOM 1179 C MET A 72 3.329 10.565 8.983 1.00 0.00 C ATOM 1180 O MET A 72 3.127 11.560 9.679 1.00 0.00 O ATOM 1181 CB MET A 72 2.555 8.487 10.141 1.00 0.00 C ATOM 1182 CG MET A 72 1.401 7.533 10.400 1.00 0.00 C ATOM 1183 SD MET A 72 -0.136 8.391 10.789 1.00 0.00 S ATOM 1184 CE MET A 72 -1.081 8.084 9.298 1.00 0.00 C ATOM 0 H MET A 72 2.998 7.835 7.752 1.00 0.00 H new ATOM 0 HA MET A 72 1.319 9.838 9.016 1.00 0.00 H new ATOM 0 HB2 MET A 72 3.462 7.908 9.967 1.00 0.00 H new ATOM 0 HB3 MET A 72 2.726 9.088 11.034 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.250 6.905 9.522 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.661 6.870 11.225 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.742 8.929 9.106 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.401 7.956 8.456 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.676 7.179 9.424 1.00 0.00 H new ATOM 1194 N ALA A 73 4.411 10.419 8.226 1.00 0.00 N ATOM 1195 CA ALA A 73 5.447 11.443 8.168 1.00 0.00 C ATOM 1196 C ALA A 73 5.186 12.423 7.029 1.00 0.00 C ATOM 1197 O ALA A 73 5.950 13.364 6.820 1.00 0.00 O ATOM 1198 CB ALA A 73 6.817 10.800 8.010 1.00 0.00 C ATOM 0 H ALA A 73 4.593 9.601 7.644 1.00 0.00 H new ATOM 0 HA ALA A 73 5.426 12.000 9.105 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.581 11.577 7.968 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.012 10.145 8.859 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.841 10.217 7.089 1.00 0.00 H new ATOM 1204 N ASN A 74 4.102 12.195 6.295 1.00 0.00 N ATOM 1205 CA ASN A 74 3.741 13.058 5.175 1.00 0.00 C ATOM 1206 C ASN A 74 4.906 13.200 4.201 1.00 0.00 C ATOM 1207 O ASN A 74 5.321 14.310 3.869 1.00 0.00 O ATOM 1208 CB ASN A 74 3.316 14.437 5.684 1.00 0.00 C ATOM 1209 CG ASN A 74 2.305 14.351 6.811 1.00 0.00 C ATOM 1210 OD1 ASN A 74 2.612 13.864 7.899 1.00 0.00 O ATOM 1211 ND2 ASN A 74 1.092 14.825 6.554 1.00 0.00 N ATOM 0 H ASN A 74 3.458 11.420 6.455 1.00 0.00 H new ATOM 0 HA ASN A 74 2.904 12.598 4.649 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.195 14.981 6.029 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.890 15.010 4.860 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.370 14.794 7.273 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.882 15.220 5.637 1.00 0.00 H new ATOM 1218 N LYS A 75 5.430 12.067 3.744 1.00 0.00 N ATOM 1219 CA LYS A 75 6.546 12.063 2.805 1.00 0.00 C ATOM 1220 C LYS A 75 6.061 11.786 1.386 1.00 0.00 C ATOM 1221 O LYS A 75 6.818 11.922 0.424 1.00 0.00 O ATOM 1222 CB LYS A 75 7.580 11.013 3.216 1.00 0.00 C ATOM 1223 CG LYS A 75 8.267 11.320 4.536 1.00 0.00 C ATOM 1224 CD LYS A 75 9.399 10.345 4.815 1.00 0.00 C ATOM 1225 CE LYS A 75 10.030 10.599 6.176 1.00 0.00 C ATOM 1226 NZ LYS A 75 11.008 11.722 6.133 1.00 0.00 N ATOM 0 H LYS A 75 5.099 11.139 4.009 1.00 0.00 H new ATOM 0 HA LYS A 75 7.010 13.049 2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.090 10.042 3.288 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.334 10.932 2.433 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.658 12.337 4.516 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.539 11.275 5.346 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.020 9.324 4.773 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.158 10.435 4.038 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.249 10.825 6.902 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.531 9.694 6.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.416 11.864 7.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.767 11.496 5.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.525 12.592 5.831 1.00 0.00 H new ATOM 1240 N TYR A 76 4.797 11.399 1.262 1.00 0.00 N ATOM 1241 CA TYR A 76 4.212 11.103 -0.041 1.00 0.00 C ATOM 1242 C TYR A 76 4.014 12.380 -0.852 1.00 0.00 C ATOM 1243 O TYR A 76 4.380 13.469 -0.413 1.00 0.00 O ATOM 1244 CB TYR A 76 2.875 10.380 0.130 1.00 0.00 C ATOM 1245 CG TYR A 76 1.970 11.016 1.161 1.00 0.00 C ATOM 1246 CD1 TYR A 76 1.532 12.327 1.016 1.00 0.00 C ATOM 1247 CD2 TYR A 76 1.552 10.306 2.279 1.00 0.00 C ATOM 1248 CE1 TYR A 76 0.707 12.912 1.956 1.00 0.00 C ATOM 1249 CE2 TYR A 76 0.725 10.882 3.224 1.00 0.00 C ATOM 1250 CZ TYR A 76 0.305 12.186 3.058 1.00 0.00 C ATOM 1251 OH TYR A 76 -0.519 12.764 3.996 1.00 0.00 O ATOM 0 H TYR A 76 4.157 11.283 2.048 1.00 0.00 H new ATOM 0 HA TYR A 76 4.901 10.455 -0.582 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.359 10.357 -0.830 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.065 9.345 0.415 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.842 12.898 0.153 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.879 9.285 2.412 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.378 13.933 1.829 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.409 10.315 4.087 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.709 12.117 4.708 1.00 0.00 H new ATOM 1261 N GLN A 77 3.431 12.235 -2.038 1.00 0.00 N ATOM 1262 CA GLN A 77 3.184 13.376 -2.911 1.00 0.00 C ATOM 1263 C GLN A 77 1.731 13.400 -3.376 1.00 0.00 C ATOM 1264 O GLN A 77 1.141 14.468 -3.545 1.00 0.00 O ATOM 1265 CB GLN A 77 4.118 13.331 -4.121 1.00 0.00 C ATOM 1266 CG GLN A 77 5.548 13.736 -3.801 1.00 0.00 C ATOM 1267 CD GLN A 77 6.511 13.417 -4.927 1.00 0.00 C ATOM 1268 OE1 GLN A 77 6.141 12.780 -5.914 1.00 0.00 O ATOM 1269 NE2 GLN A 77 7.755 13.859 -4.786 1.00 0.00 N ATOM 0 H GLN A 77 3.121 11.340 -2.416 1.00 0.00 H new ATOM 0 HA GLN A 77 3.381 14.285 -2.343 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.118 12.321 -4.532 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.727 13.990 -4.896 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.581 14.805 -3.592 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.872 13.224 -2.895 1.00 0.00 H new ATOM 0 HE21 GLN A 77 8.019 14.383 -3.952 1.00 0.00 H new ATOM 0 HE22 GLN A 77 8.447 13.675 -5.512 1.00 0.00 H new ATOM 1278 N ASP A 78 1.161 12.218 -3.582 1.00 0.00 N ATOM 1279 CA ASP A 78 -0.223 12.104 -4.027 1.00 0.00 C ATOM 1280 C ASP A 78 -0.780 10.717 -3.720 1.00 0.00 C ATOM 1281 O ASP A 78 -0.102 9.886 -3.114 1.00 0.00 O ATOM 1282 CB ASP A 78 -0.324 12.387 -5.527 1.00 0.00 C ATOM 1283 CG ASP A 78 0.163 11.225 -6.370 1.00 0.00 C ATOM 1284 OD1 ASP A 78 1.394 11.054 -6.491 1.00 0.00 O ATOM 1285 OD2 ASP A 78 -0.688 10.485 -6.907 1.00 0.00 O ATOM 0 H ASP A 78 1.636 11.325 -3.448 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.815 12.842 -3.485 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.360 12.608 -5.783 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.260 13.276 -5.766 1.00 0.00 H new ATOM 1290 N ILE A 79 -2.016 10.476 -4.141 1.00 0.00 N ATOM 1291 CA ILE A 79 -2.664 9.190 -3.911 1.00 0.00 C ATOM 1292 C ILE A 79 -1.825 8.045 -4.469 1.00 0.00 C ATOM 1293 O ILE A 79 -1.579 7.051 -3.785 1.00 0.00 O ATOM 1294 CB ILE A 79 -4.065 9.143 -4.548 1.00 0.00 C ATOM 1295 CG1 ILE A 79 -5.041 10.008 -3.750 1.00 0.00 C ATOM 1296 CG2 ILE A 79 -4.563 7.708 -4.627 1.00 0.00 C ATOM 1297 CD1 ILE A 79 -5.524 9.354 -2.473 1.00 0.00 C ATOM 0 H ILE A 79 -2.590 11.154 -4.643 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.761 9.074 -2.832 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.001 9.541 -5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.558 10.954 -3.504 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.902 10.243 -4.376 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.554 7.691 -5.080 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.877 7.118 -5.234 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.615 7.285 -3.624 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.213 10.024 -1.959 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.036 8.422 -2.713 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.672 9.144 -1.827 1.00 0.00 H new ATOM 1309 N ASP A 80 -1.387 8.192 -5.714 1.00 0.00 N ATOM 1310 CA ASP A 80 -0.573 7.171 -6.364 1.00 0.00 C ATOM 1311 C ASP A 80 0.577 6.737 -5.461 1.00 0.00 C ATOM 1312 O ASP A 80 1.150 5.663 -5.642 1.00 0.00 O ATOM 1313 CB ASP A 80 -0.026 7.694 -7.693 1.00 0.00 C ATOM 1314 CG ASP A 80 -1.123 8.165 -8.626 1.00 0.00 C ATOM 1315 OD1 ASP A 80 -2.203 8.548 -8.128 1.00 0.00 O ATOM 1316 OD2 ASP A 80 -0.903 8.151 -9.855 1.00 0.00 O ATOM 0 H ASP A 80 -1.582 9.008 -6.294 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.206 6.305 -6.557 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.661 8.518 -7.500 1.00 0.00 H new ATOM 0 HB3 ASP A 80 0.549 6.907 -8.181 1.00 0.00 H new ATOM 1321 N SER A 81 0.910 7.581 -4.489 1.00 0.00 N ATOM 1322 CA SER A 81 1.996 7.287 -3.561 1.00 0.00 C ATOM 1323 C SER A 81 1.677 6.050 -2.727 1.00 0.00 C ATOM 1324 O SER A 81 2.565 5.260 -2.405 1.00 0.00 O ATOM 1325 CB SER A 81 2.247 8.484 -2.642 1.00 0.00 C ATOM 1326 OG SER A 81 1.294 8.532 -1.594 1.00 0.00 O ATOM 0 H SER A 81 0.444 8.473 -4.324 1.00 0.00 H new ATOM 0 HA SER A 81 2.896 7.090 -4.143 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.251 8.420 -2.222 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.202 9.406 -3.221 1.00 0.00 H new ATOM 0 HG SER A 81 0.610 9.202 -1.804 1.00 0.00 H new ATOM 1332 N MET A 82 0.404 5.889 -2.381 1.00 0.00 N ATOM 1333 CA MET A 82 -0.032 4.747 -1.585 1.00 0.00 C ATOM 1334 C MET A 82 -0.438 3.582 -2.483 1.00 0.00 C ATOM 1335 O MET A 82 -0.358 2.420 -2.084 1.00 0.00 O ATOM 1336 CB MET A 82 -1.203 5.144 -0.685 1.00 0.00 C ATOM 1337 CG MET A 82 -1.263 4.359 0.616 1.00 0.00 C ATOM 1338 SD MET A 82 -2.420 5.068 1.803 1.00 0.00 S ATOM 1339 CE MET A 82 -3.980 4.770 0.975 1.00 0.00 C ATOM 0 H MET A 82 -0.343 6.534 -2.639 1.00 0.00 H new ATOM 0 HA MET A 82 0.804 4.429 -0.962 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.130 6.207 -0.455 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.135 4.999 -1.231 1.00 0.00 H new ATOM 0 HG2 MET A 82 -1.553 3.330 0.402 1.00 0.00 H new ATOM 0 HG3 MET A 82 -0.268 4.324 1.061 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.792 4.816 1.701 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.136 5.529 0.208 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.963 3.784 0.511 1.00 0.00 H new ATOM 1349 N VAL A 83 -0.874 3.901 -3.698 1.00 0.00 N ATOM 1350 CA VAL A 83 -1.292 2.881 -4.652 1.00 0.00 C ATOM 1351 C VAL A 83 -0.093 2.111 -5.194 1.00 0.00 C ATOM 1352 O VAL A 83 -0.169 0.904 -5.420 1.00 0.00 O ATOM 1353 CB VAL A 83 -2.066 3.499 -5.831 1.00 0.00 C ATOM 1354 CG1 VAL A 83 -2.467 2.424 -6.830 1.00 0.00 C ATOM 1355 CG2 VAL A 83 -3.287 4.254 -5.329 1.00 0.00 C ATOM 0 H VAL A 83 -0.947 4.858 -4.044 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.948 2.196 -4.115 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.413 4.208 -6.340 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.013 2.880 -7.656 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.573 1.932 -7.214 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.103 1.688 -6.337 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.822 4.684 -6.176 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.944 3.568 -4.795 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.971 5.051 -4.657 1.00 0.00 H new ATOM 1365 N GLU A 84 1.015 2.818 -5.398 1.00 0.00 N ATOM 1366 CA GLU A 84 2.231 2.200 -5.914 1.00 0.00 C ATOM 1367 C GLU A 84 2.666 1.036 -5.029 1.00 0.00 C ATOM 1368 O GLU A 84 2.953 -0.057 -5.519 1.00 0.00 O ATOM 1369 CB GLU A 84 3.355 3.234 -6.005 1.00 0.00 C ATOM 1370 CG GLU A 84 3.547 4.039 -4.731 1.00 0.00 C ATOM 1371 CD GLU A 84 4.602 5.118 -4.876 1.00 0.00 C ATOM 1372 OE1 GLU A 84 5.245 5.181 -5.945 1.00 0.00 O ATOM 1373 OE2 GLU A 84 4.785 5.901 -3.920 1.00 0.00 O ATOM 0 H GLU A 84 1.095 3.818 -5.214 1.00 0.00 H new ATOM 0 HA GLU A 84 2.019 1.816 -6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.288 2.724 -6.246 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.143 3.917 -6.828 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.599 4.498 -4.450 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.829 3.367 -3.920 1.00 0.00 H new ATOM 1380 N ASP A 85 2.714 1.278 -3.724 1.00 0.00 N ATOM 1381 CA ASP A 85 3.114 0.250 -2.769 1.00 0.00 C ATOM 1382 C ASP A 85 2.074 -0.864 -2.703 1.00 0.00 C ATOM 1383 O ASP A 85 2.355 -2.012 -3.049 1.00 0.00 O ATOM 1384 CB ASP A 85 3.314 0.862 -1.382 1.00 0.00 C ATOM 1385 CG ASP A 85 2.264 1.906 -1.053 1.00 0.00 C ATOM 1386 OD1 ASP A 85 1.210 1.532 -0.499 1.00 0.00 O ATOM 1387 OD2 ASP A 85 2.497 3.096 -1.351 1.00 0.00 O ATOM 0 H ASP A 85 2.481 2.177 -3.302 1.00 0.00 H new ATOM 0 HA ASP A 85 4.058 -0.178 -3.107 1.00 0.00 H new ATOM 0 HB2 ASP A 85 3.284 0.072 -0.632 1.00 0.00 H new ATOM 0 HB3 ASP A 85 4.303 1.316 -1.328 1.00 0.00 H new ATOM 1392 N PHE A 86 0.872 -0.518 -2.255 1.00 0.00 N ATOM 1393 CA PHE A 86 -0.210 -1.489 -2.140 1.00 0.00 C ATOM 1394 C PHE A 86 -0.191 -2.465 -3.313 1.00 0.00 C ATOM 1395 O PHE A 86 -0.450 -3.657 -3.148 1.00 0.00 O ATOM 1396 CB PHE A 86 -1.561 -0.774 -2.079 1.00 0.00 C ATOM 1397 CG PHE A 86 -2.003 -0.446 -0.682 1.00 0.00 C ATOM 1398 CD1 PHE A 86 -2.104 -1.440 0.278 1.00 0.00 C ATOM 1399 CD2 PHE A 86 -2.319 0.856 -0.329 1.00 0.00 C ATOM 1400 CE1 PHE A 86 -2.510 -1.141 1.565 1.00 0.00 C ATOM 1401 CE2 PHE A 86 -2.725 1.161 0.957 1.00 0.00 C ATOM 1402 CZ PHE A 86 -2.822 0.161 1.904 1.00 0.00 C ATOM 0 H PHE A 86 0.622 0.428 -1.966 1.00 0.00 H new ATOM 0 HA PHE A 86 -0.063 -2.052 -1.218 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.502 0.147 -2.659 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -2.316 -1.401 -2.553 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -1.863 -2.460 0.018 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -2.247 1.642 -1.067 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.583 -1.925 2.305 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.966 2.180 1.220 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.141 0.397 2.908 1.00 0.00 H new ATOM 1412 N VAL A 87 0.118 -1.950 -4.499 1.00 0.00 N ATOM 1413 CA VAL A 87 0.172 -2.775 -5.700 1.00 0.00 C ATOM 1414 C VAL A 87 1.314 -3.782 -5.624 1.00 0.00 C ATOM 1415 O VAL A 87 1.159 -4.941 -6.009 1.00 0.00 O ATOM 1416 CB VAL A 87 0.346 -1.913 -6.965 1.00 0.00 C ATOM 1417 CG1 VAL A 87 0.487 -2.795 -8.197 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -0.823 -0.952 -7.119 1.00 0.00 C ATOM 0 H VAL A 87 0.335 -0.965 -4.654 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.776 -3.309 -5.760 1.00 0.00 H new ATOM 0 HB VAL A 87 1.259 -1.326 -6.861 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.609 -2.169 -9.081 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.359 -3.439 -8.085 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.406 -3.410 -8.308 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.684 -0.351 -8.018 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.751 -1.518 -7.201 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.873 -0.298 -6.249 1.00 0.00 H new ATOM 1428 N MET A 88 2.460 -3.332 -5.125 1.00 0.00 N ATOM 1429 CA MET A 88 3.629 -4.196 -4.997 1.00 0.00 C ATOM 1430 C MET A 88 3.349 -5.351 -4.041 1.00 0.00 C ATOM 1431 O MET A 88 3.550 -6.515 -4.385 1.00 0.00 O ATOM 1432 CB MET A 88 4.833 -3.391 -4.504 1.00 0.00 C ATOM 1433 CG MET A 88 5.401 -2.446 -5.550 1.00 0.00 C ATOM 1434 SD MET A 88 6.174 -0.988 -4.822 1.00 0.00 S ATOM 1435 CE MET A 88 7.542 -1.736 -3.940 1.00 0.00 C ATOM 0 H MET A 88 2.605 -2.375 -4.803 1.00 0.00 H new ATOM 0 HA MET A 88 3.855 -4.608 -5.980 1.00 0.00 H new ATOM 0 HB2 MET A 88 4.540 -2.815 -3.626 1.00 0.00 H new ATOM 0 HB3 MET A 88 5.615 -4.080 -4.186 1.00 0.00 H new ATOM 0 HG2 MET A 88 6.135 -2.978 -6.154 1.00 0.00 H new ATOM 0 HG3 MET A 88 4.602 -2.132 -6.222 1.00 0.00 H new ATOM 0 HE1 MET A 88 8.128 -0.958 -3.450 1.00 0.00 H new ATOM 0 HE2 MET A 88 7.157 -2.427 -3.190 1.00 0.00 H new ATOM 0 HE3 MET A 88 8.175 -2.279 -4.642 1.00 0.00 H new ATOM 1445 N MET A 89 2.884 -5.021 -2.841 1.00 0.00 N ATOM 1446 CA MET A 89 2.576 -6.032 -1.836 1.00 0.00 C ATOM 1447 C MET A 89 2.033 -7.299 -2.489 1.00 0.00 C ATOM 1448 O MET A 89 2.573 -8.389 -2.295 1.00 0.00 O ATOM 1449 CB MET A 89 1.560 -5.488 -0.829 1.00 0.00 C ATOM 1450 CG MET A 89 2.069 -4.294 -0.038 1.00 0.00 C ATOM 1451 SD MET A 89 1.345 -4.193 1.610 1.00 0.00 S ATOM 1452 CE MET A 89 -0.379 -4.511 1.243 1.00 0.00 C ATOM 0 H MET A 89 2.712 -4.062 -2.541 1.00 0.00 H new ATOM 0 HA MET A 89 3.499 -6.281 -1.312 1.00 0.00 H new ATOM 0 HB2 MET A 89 0.652 -5.202 -1.360 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.286 -6.283 -0.135 1.00 0.00 H new ATOM 0 HG2 MET A 89 3.154 -4.357 0.049 1.00 0.00 H new ATOM 0 HG3 MET A 89 1.846 -3.378 -0.586 1.00 0.00 H new ATOM 0 HE1 MET A 89 -1.007 -3.977 1.956 1.00 0.00 H new ATOM 0 HE2 MET A 89 -0.605 -4.170 0.233 1.00 0.00 H new ATOM 0 HE3 MET A 89 -0.575 -5.581 1.317 1.00 0.00 H new ATOM 1462 N PHE A 90 0.963 -7.149 -3.262 1.00 0.00 N ATOM 1463 CA PHE A 90 0.347 -8.283 -3.942 1.00 0.00 C ATOM 1464 C PHE A 90 1.347 -8.973 -4.864 1.00 0.00 C ATOM 1465 O PHE A 90 1.561 -10.181 -4.772 1.00 0.00 O ATOM 1466 CB PHE A 90 -0.871 -7.822 -4.746 1.00 0.00 C ATOM 1467 CG PHE A 90 -1.667 -6.746 -4.064 1.00 0.00 C ATOM 1468 CD1 PHE A 90 -2.163 -6.938 -2.784 1.00 0.00 C ATOM 1469 CD2 PHE A 90 -1.920 -5.542 -4.702 1.00 0.00 C ATOM 1470 CE1 PHE A 90 -2.896 -5.950 -2.155 1.00 0.00 C ATOM 1471 CE2 PHE A 90 -2.652 -4.550 -4.078 1.00 0.00 C ATOM 1472 CZ PHE A 90 -3.140 -4.755 -2.802 1.00 0.00 C ATOM 0 H PHE A 90 0.504 -6.254 -3.433 1.00 0.00 H new ATOM 0 HA PHE A 90 0.025 -8.998 -3.185 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.538 -7.456 -5.717 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.518 -8.679 -4.933 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.974 -7.870 -2.273 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.540 -5.377 -5.699 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.278 -6.112 -1.158 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -2.842 -3.616 -4.587 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.712 -3.981 -2.311 1.00 0.00 H new ATOM 1482 N ASN A 91 1.957 -8.196 -5.754 1.00 0.00 N ATOM 1483 CA ASN A 91 2.934 -8.732 -6.694 1.00 0.00 C ATOM 1484 C ASN A 91 3.951 -9.616 -5.978 1.00 0.00 C ATOM 1485 O ASN A 91 4.192 -10.753 -6.380 1.00 0.00 O ATOM 1486 CB ASN A 91 3.653 -7.593 -7.419 1.00 0.00 C ATOM 1487 CG ASN A 91 2.780 -6.933 -8.469 1.00 0.00 C ATOM 1488 OD1 ASN A 91 1.769 -7.493 -8.892 1.00 0.00 O ATOM 1489 ND2 ASN A 91 3.169 -5.736 -8.894 1.00 0.00 N ATOM 0 H ASN A 91 1.792 -7.193 -5.843 1.00 0.00 H new ATOM 0 HA ASN A 91 2.401 -9.341 -7.425 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.969 -6.846 -6.691 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.556 -7.980 -7.892 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.622 -5.243 -9.600 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.015 -5.310 -8.515 1.00 0.00 H new ATOM 1496 N ASN A 92 4.543 -9.084 -4.914 1.00 0.00 N ATOM 1497 CA ASN A 92 5.534 -9.824 -4.141 1.00 0.00 C ATOM 1498 C ASN A 92 4.968 -11.160 -3.669 1.00 0.00 C ATOM 1499 O ASN A 92 5.713 -12.103 -3.407 1.00 0.00 O ATOM 1500 CB ASN A 92 5.993 -8.998 -2.937 1.00 0.00 C ATOM 1501 CG ASN A 92 6.310 -7.562 -3.308 1.00 0.00 C ATOM 1502 OD1 ASN A 92 6.651 -7.266 -4.454 1.00 0.00 O ATOM 1503 ND2 ASN A 92 6.199 -6.662 -2.338 1.00 0.00 N ATOM 0 H ASN A 92 4.354 -8.144 -4.567 1.00 0.00 H new ATOM 0 HA ASN A 92 6.390 -10.020 -4.787 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.215 -9.010 -2.174 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.877 -9.461 -2.498 1.00 0.00 H new ATOM 0 HD21 ASN A 92 6.400 -5.680 -2.528 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.913 -6.953 -1.403 1.00 0.00 H new ATOM 1510 N ALA A 93 3.645 -11.232 -3.563 1.00 0.00 N ATOM 1511 CA ALA A 93 2.979 -12.452 -3.125 1.00 0.00 C ATOM 1512 C ALA A 93 2.927 -13.482 -4.248 1.00 0.00 C ATOM 1513 O ALA A 93 3.520 -14.557 -4.146 1.00 0.00 O ATOM 1514 CB ALA A 93 1.576 -12.138 -2.628 1.00 0.00 C ATOM 0 H ALA A 93 3.014 -10.459 -3.775 1.00 0.00 H new ATOM 0 HA ALA A 93 3.556 -12.877 -2.304 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.090 -13.058 -2.304 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.634 -11.444 -1.790 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.997 -11.686 -3.434 1.00 0.00 H new ATOM 1520 N CYS A 94 2.214 -13.148 -5.318 1.00 0.00 N ATOM 1521 CA CYS A 94 2.083 -14.045 -6.461 1.00 0.00 C ATOM 1522 C CYS A 94 3.451 -14.531 -6.930 1.00 0.00 C ATOM 1523 O CYS A 94 3.604 -15.676 -7.356 1.00 0.00 O ATOM 1524 CB CYS A 94 1.357 -13.342 -7.608 1.00 0.00 C ATOM 1525 SG CYS A 94 2.250 -11.924 -8.288 1.00 0.00 S ATOM 0 H CYS A 94 1.718 -12.263 -5.418 1.00 0.00 H new ATOM 0 HA CYS A 94 1.498 -14.910 -6.147 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.178 -14.062 -8.406 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.381 -13.008 -7.256 1.00 0.00 H new ATOM 0 HG CYS A 94 3.000 -11.400 -7.365 1.00 0.00 H new ATOM 1531 N THR A 95 4.444 -13.650 -6.852 1.00 0.00 N ATOM 1532 CA THR A 95 5.799 -13.987 -7.271 1.00 0.00 C ATOM 1533 C THR A 95 6.504 -14.839 -6.221 1.00 0.00 C ATOM 1534 O THR A 95 7.028 -15.910 -6.527 1.00 0.00 O ATOM 1535 CB THR A 95 6.636 -12.722 -7.536 1.00 0.00 C ATOM 1536 OG1 THR A 95 6.942 -12.069 -6.299 1.00 0.00 O ATOM 1537 CG2 THR A 95 5.891 -11.762 -8.451 1.00 0.00 C ATOM 0 H THR A 95 4.335 -12.698 -6.503 1.00 0.00 H new ATOM 0 HA THR A 95 5.711 -14.556 -8.197 1.00 0.00 H new ATOM 0 HB THR A 95 7.562 -13.022 -8.027 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.476 -11.266 -6.476 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.502 -10.876 -8.624 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.685 -12.252 -9.403 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.951 -11.469 -7.983 1.00 0.00 H new ATOM 1545 N TYR A 96 6.512 -14.357 -4.984 1.00 0.00 N ATOM 1546 CA TYR A 96 7.154 -15.073 -3.888 1.00 0.00 C ATOM 1547 C TYR A 96 6.590 -16.484 -3.755 1.00 0.00 C ATOM 1548 O TYR A 96 7.321 -17.469 -3.849 1.00 0.00 O ATOM 1549 CB TYR A 96 6.969 -14.312 -2.575 1.00 0.00 C ATOM 1550 CG TYR A 96 7.625 -14.982 -1.389 1.00 0.00 C ATOM 1551 CD1 TYR A 96 8.953 -15.386 -1.440 1.00 0.00 C ATOM 1552 CD2 TYR A 96 6.916 -15.211 -0.216 1.00 0.00 C ATOM 1553 CE1 TYR A 96 9.556 -15.999 -0.359 1.00 0.00 C ATOM 1554 CE2 TYR A 96 7.511 -15.822 0.871 1.00 0.00 C ATOM 1555 CZ TYR A 96 8.831 -16.215 0.794 1.00 0.00 C ATOM 1556 OH TYR A 96 9.428 -16.824 1.874 1.00 0.00 O ATOM 0 H TYR A 96 6.081 -13.473 -4.715 1.00 0.00 H new ATOM 0 HA TYR A 96 8.219 -15.146 -4.110 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.378 -13.308 -2.686 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.903 -14.202 -2.376 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.524 -15.218 -2.341 1.00 0.00 H new ATOM 0 HD2 TYR A 96 5.882 -14.906 -0.153 1.00 0.00 H new ATOM 0 HE1 TYR A 96 10.589 -16.307 -0.416 1.00 0.00 H new ATOM 0 HE2 TYR A 96 6.946 -15.991 1.776 1.00 0.00 H new ATOM 0 HH TYR A 96 8.781 -16.900 2.606 1.00 0.00 H new ATOM 1566 N ASN A 97 5.282 -16.573 -3.537 1.00 0.00 N ATOM 1567 CA ASN A 97 4.617 -17.863 -3.391 1.00 0.00 C ATOM 1568 C ASN A 97 4.031 -18.327 -4.721 1.00 0.00 C ATOM 1569 O ASN A 97 4.086 -17.608 -5.718 1.00 0.00 O ATOM 1570 CB ASN A 97 3.511 -17.773 -2.337 1.00 0.00 C ATOM 1571 CG ASN A 97 2.572 -16.607 -2.581 1.00 0.00 C ATOM 1572 OD1 ASN A 97 2.764 -15.527 -1.833 1.00 0.00 O flip ATOM 1573 ND2 ASN A 97 1.686 -16.677 -3.433 1.00 0.00 N flip ATOM 0 H ASN A 97 4.662 -15.767 -3.458 1.00 0.00 H new ATOM 0 HA ASN A 97 5.360 -18.592 -3.068 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.940 -18.701 -2.334 1.00 0.00 H new ATOM 0 HB3 ASN A 97 3.961 -17.673 -1.350 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.575 -17.528 -3.985 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.063 -15.884 -3.587 1.00 0.00 H new ATOM 1580 N GLU A 98 3.470 -19.532 -4.726 1.00 0.00 N ATOM 1581 CA GLU A 98 2.875 -20.091 -5.934 1.00 0.00 C ATOM 1582 C GLU A 98 1.533 -19.431 -6.235 1.00 0.00 C ATOM 1583 O GLU A 98 0.824 -18.971 -5.339 1.00 0.00 O ATOM 1584 CB GLU A 98 2.689 -21.603 -5.785 1.00 0.00 C ATOM 1585 CG GLU A 98 1.794 -21.995 -4.622 1.00 0.00 C ATOM 1586 CD GLU A 98 1.780 -23.490 -4.373 1.00 0.00 C ATOM 1587 OE1 GLU A 98 2.830 -24.136 -4.578 1.00 0.00 O ATOM 1588 OE2 GLU A 98 0.720 -24.016 -3.975 1.00 0.00 O ATOM 0 H GLU A 98 3.415 -20.139 -3.908 1.00 0.00 H new ATOM 0 HA GLU A 98 3.552 -19.895 -6.766 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.267 -22.001 -6.708 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.665 -22.069 -5.654 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.132 -21.484 -3.721 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.778 -21.654 -4.820 1.00 0.00 H new ATOM 1595 N PRO A 99 1.175 -19.380 -7.527 1.00 0.00 N ATOM 1596 CA PRO A 99 -0.084 -18.778 -7.977 1.00 0.00 C ATOM 1597 C PRO A 99 -1.300 -19.604 -7.571 1.00 0.00 C ATOM 1598 O PRO A 99 -2.432 -19.268 -7.915 1.00 0.00 O ATOM 1599 CB PRO A 99 0.060 -18.753 -9.500 1.00 0.00 C ATOM 1600 CG PRO A 99 1.018 -19.851 -9.809 1.00 0.00 C ATOM 1601 CD PRO A 99 1.971 -19.909 -8.647 1.00 0.00 C ATOM 0 HA PRO A 99 -0.247 -17.796 -7.534 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -0.900 -18.915 -9.991 1.00 0.00 H new ATOM 0 HB3 PRO A 99 0.436 -17.790 -9.846 1.00 0.00 H new ATOM 0 HG2 PRO A 99 0.497 -20.800 -9.934 1.00 0.00 H new ATOM 0 HG3 PRO A 99 1.550 -19.655 -10.740 1.00 0.00 H new ATOM 0 HD2 PRO A 99 2.309 -20.927 -8.454 1.00 0.00 H new ATOM 0 HD3 PRO A 99 2.861 -19.307 -8.827 1.00 0.00 H new ATOM 1609 N GLU A 100 -1.056 -20.686 -6.837 1.00 0.00 N ATOM 1610 CA GLU A 100 -2.133 -21.559 -6.384 1.00 0.00 C ATOM 1611 C GLU A 100 -2.059 -21.778 -4.876 1.00 0.00 C ATOM 1612 O GLU A 100 -2.221 -22.898 -4.392 1.00 0.00 O ATOM 1613 CB GLU A 100 -2.066 -22.905 -7.110 1.00 0.00 C ATOM 1614 CG GLU A 100 -3.406 -23.616 -7.196 1.00 0.00 C ATOM 1615 CD GLU A 100 -3.264 -25.088 -7.534 1.00 0.00 C ATOM 1616 OE1 GLU A 100 -2.650 -25.824 -6.735 1.00 0.00 O ATOM 1617 OE2 GLU A 100 -3.769 -25.502 -8.599 1.00 0.00 O ATOM 0 H GLU A 100 -0.124 -20.978 -6.544 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.081 -21.075 -6.616 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.683 -22.746 -8.118 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -1.354 -23.551 -6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -3.929 -23.514 -6.245 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -4.023 -23.131 -7.953 1.00 0.00 H new ATOM 1624 N SER A 101 -1.812 -20.699 -4.139 1.00 0.00 N ATOM 1625 CA SER A 101 -1.712 -20.773 -2.686 1.00 0.00 C ATOM 1626 C SER A 101 -2.962 -20.199 -2.026 1.00 0.00 C ATOM 1627 O SER A 101 -3.904 -19.789 -2.704 1.00 0.00 O ATOM 1628 CB SER A 101 -0.473 -20.018 -2.200 1.00 0.00 C ATOM 1629 OG SER A 101 0.659 -20.869 -2.160 1.00 0.00 O ATOM 0 H SER A 101 -1.678 -19.764 -4.524 1.00 0.00 H new ATOM 0 HA SER A 101 -1.623 -21.822 -2.405 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.275 -19.174 -2.861 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.659 -19.608 -1.207 1.00 0.00 H new ATOM 0 HG SER A 101 1.438 -20.363 -1.848 1.00 0.00 H new ATOM 1635 N LEU A 102 -2.963 -20.175 -0.698 1.00 0.00 N ATOM 1636 CA LEU A 102 -4.097 -19.652 0.057 1.00 0.00 C ATOM 1637 C LEU A 102 -3.979 -18.143 0.241 1.00 0.00 C ATOM 1638 O LEU A 102 -4.959 -17.468 0.559 1.00 0.00 O ATOM 1639 CB LEU A 102 -4.186 -20.338 1.422 1.00 0.00 C ATOM 1640 CG LEU A 102 -4.979 -21.645 1.465 1.00 0.00 C ATOM 1641 CD1 LEU A 102 -4.189 -22.770 0.816 1.00 0.00 C ATOM 1642 CD2 LEU A 102 -5.339 -22.002 2.900 1.00 0.00 C ATOM 0 H LEU A 102 -2.192 -20.511 -0.122 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.005 -19.861 -0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -3.174 -20.539 1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.635 -19.640 2.129 1.00 0.00 H new ATOM 0 HG LEU A 102 -5.903 -21.507 0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.769 -23.692 0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -3.982 -22.516 -0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -3.249 -22.909 1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.903 -22.935 2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -4.427 -22.122 3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -5.945 -21.206 3.332 1.00 0.00 H new ATOM 1654 N ILE A 103 -2.775 -17.619 0.035 1.00 0.00 N ATOM 1655 CA ILE A 103 -2.531 -16.189 0.175 1.00 0.00 C ATOM 1656 C ILE A 103 -2.571 -15.489 -1.179 1.00 0.00 C ATOM 1657 O ILE A 103 -2.784 -14.279 -1.259 1.00 0.00 O ATOM 1658 CB ILE A 103 -1.171 -15.912 0.843 1.00 0.00 C ATOM 1659 CG1 ILE A 103 -1.049 -14.432 1.208 1.00 0.00 C ATOM 1660 CG2 ILE A 103 -0.034 -16.332 -0.077 1.00 0.00 C ATOM 1661 CD1 ILE A 103 -0.663 -13.551 0.041 1.00 0.00 C ATOM 0 H ILE A 103 -1.954 -18.163 -0.229 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.325 -15.795 0.809 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.107 -16.499 1.759 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -2.000 -14.087 1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.306 -14.321 1.998 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.921 -16.130 0.409 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.114 -17.398 -0.291 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.093 -15.769 -1.009 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.595 -12.515 0.374 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.302 -13.870 -0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.418 -13.632 -0.741 1.00 0.00 H new ATOM 1673 N TYR A 104 -2.366 -16.259 -2.242 1.00 0.00 N ATOM 1674 CA TYR A 104 -2.378 -15.714 -3.595 1.00 0.00 C ATOM 1675 C TYR A 104 -3.737 -15.105 -3.925 1.00 0.00 C ATOM 1676 O TYR A 104 -3.864 -13.892 -4.092 1.00 0.00 O ATOM 1677 CB TYR A 104 -2.035 -16.805 -4.610 1.00 0.00 C ATOM 1678 CG TYR A 104 -2.353 -16.424 -6.039 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -1.715 -15.352 -6.651 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -3.292 -17.135 -6.776 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -2.002 -15.000 -7.955 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -3.584 -16.791 -8.081 1.00 0.00 C ATOM 1683 CZ TYR A 104 -2.937 -15.723 -8.667 1.00 0.00 C ATOM 1684 OH TYR A 104 -3.227 -15.376 -9.966 1.00 0.00 O ATOM 0 H TYR A 104 -2.190 -17.262 -2.193 1.00 0.00 H new ATOM 0 HA TYR A 104 -1.625 -14.928 -3.649 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -0.973 -17.040 -4.533 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.582 -17.712 -4.354 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -0.982 -14.784 -6.097 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -3.802 -17.971 -6.320 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -1.497 -14.163 -8.415 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.315 -17.355 -8.640 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.905 -15.986 -10.324 1.00 0.00 H new ATOM 1694 N LYS A 105 -4.753 -15.957 -4.017 1.00 0.00 N ATOM 1695 CA LYS A 105 -6.105 -15.506 -4.325 1.00 0.00 C ATOM 1696 C LYS A 105 -6.402 -14.174 -3.645 1.00 0.00 C ATOM 1697 O LYS A 105 -6.791 -13.205 -4.299 1.00 0.00 O ATOM 1698 CB LYS A 105 -7.128 -16.556 -3.883 1.00 0.00 C ATOM 1699 CG LYS A 105 -7.154 -16.785 -2.382 1.00 0.00 C ATOM 1700 CD LYS A 105 -8.000 -17.994 -2.018 1.00 0.00 C ATOM 1701 CE LYS A 105 -8.328 -18.017 -0.532 1.00 0.00 C ATOM 1702 NZ LYS A 105 -9.388 -19.013 -0.214 1.00 0.00 N ATOM 0 H LYS A 105 -4.665 -16.964 -3.882 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.178 -15.367 -5.404 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -8.120 -16.246 -4.212 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.907 -17.499 -4.382 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.137 -16.928 -2.017 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.550 -15.900 -1.885 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.924 -17.980 -2.596 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.469 -18.906 -2.289 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.427 -18.252 0.035 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.654 -17.026 -0.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.583 -18.998 0.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -10.256 -18.775 -0.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.067 -19.962 -0.491 1.00 0.00 H new ATOM 1716 N ASP A 106 -6.216 -14.131 -2.331 1.00 0.00 N ATOM 1717 CA ASP A 106 -6.462 -12.916 -1.563 1.00 0.00 C ATOM 1718 C ASP A 106 -5.623 -11.758 -2.094 1.00 0.00 C ATOM 1719 O ASP A 106 -6.057 -10.607 -2.081 1.00 0.00 O ATOM 1720 CB ASP A 106 -6.151 -13.150 -0.084 1.00 0.00 C ATOM 1721 CG ASP A 106 -4.989 -14.103 0.120 1.00 0.00 C ATOM 1722 OD1 ASP A 106 -5.087 -15.263 -0.331 1.00 0.00 O ATOM 1723 OD2 ASP A 106 -3.982 -13.687 0.729 1.00 0.00 O ATOM 0 H ASP A 106 -5.896 -14.924 -1.775 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.515 -12.657 -1.668 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -5.923 -12.196 0.392 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -7.036 -13.549 0.412 1.00 0.00 H new ATOM 1728 N ALA A 107 -4.419 -12.072 -2.561 1.00 0.00 N ATOM 1729 CA ALA A 107 -3.519 -11.058 -3.097 1.00 0.00 C ATOM 1730 C ALA A 107 -4.182 -10.280 -4.229 1.00 0.00 C ATOM 1731 O ALA A 107 -3.976 -9.074 -4.371 1.00 0.00 O ATOM 1732 CB ALA A 107 -2.228 -11.701 -3.581 1.00 0.00 C ATOM 0 H ALA A 107 -4.044 -13.021 -2.579 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.284 -10.356 -2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.565 -10.932 -3.979 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.739 -12.206 -2.748 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.453 -12.426 -4.363 1.00 0.00 H new ATOM 1738 N LEU A 108 -4.978 -10.977 -5.033 1.00 0.00 N ATOM 1739 CA LEU A 108 -5.671 -10.351 -6.154 1.00 0.00 C ATOM 1740 C LEU A 108 -6.859 -9.528 -5.668 1.00 0.00 C ATOM 1741 O LEU A 108 -6.957 -8.333 -5.950 1.00 0.00 O ATOM 1742 CB LEU A 108 -6.145 -11.416 -7.144 1.00 0.00 C ATOM 1743 CG LEU A 108 -5.086 -11.958 -8.105 1.00 0.00 C ATOM 1744 CD1 LEU A 108 -4.311 -13.096 -7.460 1.00 0.00 C ATOM 1745 CD2 LEU A 108 -5.730 -12.418 -9.405 1.00 0.00 C ATOM 0 H LEU A 108 -5.159 -11.975 -4.930 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.971 -9.683 -6.656 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.555 -12.252 -6.578 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.962 -10.998 -7.733 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.386 -11.154 -8.334 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.562 -13.468 -8.159 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.817 -12.735 -6.558 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -4.997 -13.902 -7.200 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.961 -12.800 -10.076 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -6.453 -13.206 -9.194 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.238 -11.577 -9.877 1.00 0.00 H new ATOM 1757 N VAL A 109 -7.760 -10.173 -4.934 1.00 0.00 N ATOM 1758 CA VAL A 109 -8.940 -9.500 -4.405 1.00 0.00 C ATOM 1759 C VAL A 109 -8.585 -8.129 -3.841 1.00 0.00 C ATOM 1760 O VAL A 109 -9.178 -7.118 -4.218 1.00 0.00 O ATOM 1761 CB VAL A 109 -9.617 -10.337 -3.303 1.00 0.00 C ATOM 1762 CG1 VAL A 109 -10.560 -9.473 -2.480 1.00 0.00 C ATOM 1763 CG2 VAL A 109 -10.358 -11.518 -3.912 1.00 0.00 C ATOM 0 H VAL A 109 -7.695 -11.162 -4.692 1.00 0.00 H new ATOM 0 HA VAL A 109 -9.634 -9.378 -5.237 1.00 0.00 H new ATOM 0 HB VAL A 109 -8.845 -10.725 -2.639 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.029 -10.081 -1.707 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -9.998 -8.663 -2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.329 -9.054 -3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -10.830 -12.099 -3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -11.121 -11.153 -4.599 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -9.654 -12.149 -4.454 1.00 0.00 H new ATOM 1773 N LEU A 110 -7.613 -8.102 -2.936 1.00 0.00 N ATOM 1774 CA LEU A 110 -7.176 -6.855 -2.319 1.00 0.00 C ATOM 1775 C LEU A 110 -6.843 -5.810 -3.379 1.00 0.00 C ATOM 1776 O LEU A 110 -7.418 -4.722 -3.396 1.00 0.00 O ATOM 1777 CB LEU A 110 -5.957 -7.102 -1.429 1.00 0.00 C ATOM 1778 CG LEU A 110 -6.240 -7.713 -0.056 1.00 0.00 C ATOM 1779 CD1 LEU A 110 -4.969 -8.297 0.541 1.00 0.00 C ATOM 1780 CD2 LEU A 110 -6.840 -6.672 0.877 1.00 0.00 C ATOM 0 H LEU A 110 -7.112 -8.930 -2.613 1.00 0.00 H new ATOM 0 HA LEU A 110 -7.994 -6.476 -1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.270 -7.759 -1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.441 -6.153 -1.283 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.962 -8.520 -0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.190 -8.727 1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.581 -9.074 -0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.224 -7.509 0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.035 -7.124 1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.141 -5.844 0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.774 -6.301 0.456 1.00 0.00 H new ATOM 1792 N HIS A 111 -5.911 -6.149 -4.264 1.00 0.00 N ATOM 1793 CA HIS A 111 -5.503 -5.242 -5.331 1.00 0.00 C ATOM 1794 C HIS A 111 -6.714 -4.542 -5.941 1.00 0.00 C ATOM 1795 O HIS A 111 -6.708 -3.327 -6.139 1.00 0.00 O ATOM 1796 CB HIS A 111 -4.740 -6.004 -6.414 1.00 0.00 C ATOM 1797 CG HIS A 111 -4.263 -5.134 -7.536 1.00 0.00 C ATOM 1798 ND1 HIS A 111 -4.248 -3.787 -7.666 1.00 0.00 N flip ATOM 1799 CD2 HIS A 111 -3.723 -5.636 -8.701 1.00 0.00 C flip ATOM 1800 CE1 HIS A 111 -3.704 -3.503 -8.895 1.00 0.00 C flip ATOM 1801 NE2 HIS A 111 -3.395 -4.636 -9.499 1.00 0.00 N flip ATOM 0 H HIS A 111 -5.424 -7.045 -4.263 1.00 0.00 H new ATOM 0 HA HIS A 111 -4.847 -4.486 -4.900 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -3.882 -6.501 -5.961 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -5.384 -6.785 -6.819 1.00 0.00 H new ATOM 0 HD1 HIS A 111 -4.579 -3.109 -6.979 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -3.589 -6.684 -8.926 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -3.553 -2.514 -9.301 1.00 0.00 H new ATOM 1810 N LYS A 112 -7.751 -5.317 -6.240 1.00 0.00 N ATOM 1811 CA LYS A 112 -8.969 -4.773 -6.827 1.00 0.00 C ATOM 1812 C LYS A 112 -9.629 -3.773 -5.883 1.00 0.00 C ATOM 1813 O LYS A 112 -10.010 -2.676 -6.292 1.00 0.00 O ATOM 1814 CB LYS A 112 -9.948 -5.901 -7.158 1.00 0.00 C ATOM 1815 CG LYS A 112 -9.741 -6.501 -8.538 1.00 0.00 C ATOM 1816 CD LYS A 112 -8.504 -7.382 -8.583 1.00 0.00 C ATOM 1817 CE LYS A 112 -8.568 -8.374 -9.735 1.00 0.00 C ATOM 1818 NZ LYS A 112 -8.475 -7.696 -11.057 1.00 0.00 N ATOM 0 H LYS A 112 -7.772 -6.325 -6.085 1.00 0.00 H new ATOM 0 HA LYS A 112 -8.699 -4.254 -7.746 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -9.849 -6.688 -6.410 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -10.967 -5.520 -7.086 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -10.617 -7.087 -8.816 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -9.646 -5.702 -9.273 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -7.616 -6.759 -8.687 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -8.406 -7.922 -7.641 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -7.756 -9.095 -9.639 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -9.501 -8.935 -9.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.522 -8.406 -11.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -9.264 -7.026 -11.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -7.574 -7.181 -11.121 1.00 0.00 H new ATOM 1832 N VAL A 113 -9.761 -4.159 -4.618 1.00 0.00 N ATOM 1833 CA VAL A 113 -10.373 -3.295 -3.615 1.00 0.00 C ATOM 1834 C VAL A 113 -9.797 -1.885 -3.679 1.00 0.00 C ATOM 1835 O VAL A 113 -10.535 -0.905 -3.790 1.00 0.00 O ATOM 1836 CB VAL A 113 -10.173 -3.856 -2.194 1.00 0.00 C ATOM 1837 CG1 VAL A 113 -10.755 -2.906 -1.159 1.00 0.00 C ATOM 1838 CG2 VAL A 113 -10.798 -5.237 -2.074 1.00 0.00 C ATOM 0 H VAL A 113 -9.452 -5.064 -4.263 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.440 -3.259 -3.837 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.103 -3.949 -2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -10.605 -3.318 -0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -10.256 -1.940 -1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -11.822 -2.778 -1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.647 -5.618 -1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -11.866 -5.172 -2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.329 -5.912 -2.790 1.00 0.00 H new ATOM 1848 N LEU A 114 -8.474 -1.789 -3.609 1.00 0.00 N ATOM 1849 CA LEU A 114 -7.797 -0.498 -3.659 1.00 0.00 C ATOM 1850 C LEU A 114 -8.239 0.302 -4.881 1.00 0.00 C ATOM 1851 O LEU A 114 -8.408 1.520 -4.811 1.00 0.00 O ATOM 1852 CB LEU A 114 -6.280 -0.695 -3.687 1.00 0.00 C ATOM 1853 CG LEU A 114 -5.440 0.575 -3.825 1.00 0.00 C ATOM 1854 CD1 LEU A 114 -5.596 1.454 -2.594 1.00 0.00 C ATOM 1855 CD2 LEU A 114 -3.976 0.224 -4.051 1.00 0.00 C ATOM 0 H LEU A 114 -7.849 -2.590 -3.517 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.068 0.061 -2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -5.983 -1.205 -2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -6.035 -1.360 -4.515 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.797 1.132 -4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.991 2.353 -2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.643 1.734 -2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.266 0.906 -1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -3.393 1.140 -4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.606 -0.355 -3.205 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.880 -0.365 -4.963 1.00 0.00 H new ATOM 1867 N LEU A 115 -8.427 -0.391 -5.998 1.00 0.00 N ATOM 1868 CA LEU A 115 -8.852 0.253 -7.236 1.00 0.00 C ATOM 1869 C LEU A 115 -10.230 0.887 -7.074 1.00 0.00 C ATOM 1870 O LEU A 115 -10.455 2.021 -7.497 1.00 0.00 O ATOM 1871 CB LEU A 115 -8.877 -0.762 -8.380 1.00 0.00 C ATOM 1872 CG LEU A 115 -7.548 -1.446 -8.699 1.00 0.00 C ATOM 1873 CD1 LEU A 115 -7.697 -2.369 -9.899 1.00 0.00 C ATOM 1874 CD2 LEU A 115 -6.462 -0.411 -8.952 1.00 0.00 C ATOM 0 H LEU A 115 -8.292 -1.399 -6.072 1.00 0.00 H new ATOM 0 HA LEU A 115 -8.135 1.040 -7.472 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.611 -1.532 -8.140 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.228 -0.257 -9.280 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.255 -2.047 -7.838 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.741 -2.847 -10.111 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.444 -3.132 -9.680 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.013 -1.790 -10.766 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -5.523 -0.917 -9.177 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.748 0.217 -9.796 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.336 0.209 -8.064 1.00 0.00 H new ATOM 1886 N GLU A 116 -11.147 0.149 -6.456 1.00 0.00 N ATOM 1887 CA GLU A 116 -12.502 0.641 -6.237 1.00 0.00 C ATOM 1888 C GLU A 116 -12.484 1.972 -5.490 1.00 0.00 C ATOM 1889 O GLU A 116 -13.226 2.896 -5.824 1.00 0.00 O ATOM 1890 CB GLU A 116 -13.321 -0.386 -5.451 1.00 0.00 C ATOM 1891 CG GLU A 116 -13.937 -1.467 -6.322 1.00 0.00 C ATOM 1892 CD GLU A 116 -14.937 -0.914 -7.319 1.00 0.00 C ATOM 1893 OE1 GLU A 116 -16.130 -0.805 -6.964 1.00 0.00 O ATOM 1894 OE2 GLU A 116 -14.528 -0.590 -8.453 1.00 0.00 O ATOM 0 H GLU A 116 -10.976 -0.791 -6.098 1.00 0.00 H new ATOM 0 HA GLU A 116 -12.966 0.797 -7.211 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -12.680 -0.854 -4.704 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -14.115 0.131 -4.912 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -13.146 -1.990 -6.859 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -14.431 -2.202 -5.687 1.00 0.00 H new ATOM 1901 N THR A 117 -11.629 2.063 -4.475 1.00 0.00 N ATOM 1902 CA THR A 117 -11.515 3.278 -3.679 1.00 0.00 C ATOM 1903 C THR A 117 -10.810 4.382 -4.460 1.00 0.00 C ATOM 1904 O THR A 117 -11.123 5.562 -4.303 1.00 0.00 O ATOM 1905 CB THR A 117 -10.746 3.021 -2.369 1.00 0.00 C ATOM 1906 OG1 THR A 117 -9.571 2.246 -2.634 1.00 0.00 O ATOM 1907 CG2 THR A 117 -11.623 2.293 -1.362 1.00 0.00 C ATOM 0 H THR A 117 -11.006 1.309 -4.186 1.00 0.00 H new ATOM 0 HA THR A 117 -12.530 3.596 -3.440 1.00 0.00 H new ATOM 0 HB THR A 117 -10.458 3.984 -1.948 1.00 0.00 H new ATOM 0 HG1 THR A 117 -9.355 2.295 -3.589 1.00 0.00 H new ATOM 0 HG21 THR A 117 -11.059 2.122 -0.445 1.00 0.00 H new ATOM 0 HG22 THR A 117 -12.502 2.898 -1.140 1.00 0.00 H new ATOM 0 HG23 THR A 117 -11.937 1.336 -1.778 1.00 0.00 H new ATOM 1915 N ARG A 118 -9.859 3.991 -5.301 1.00 0.00 N ATOM 1916 CA ARG A 118 -9.110 4.948 -6.106 1.00 0.00 C ATOM 1917 C ARG A 118 -9.950 5.447 -7.278 1.00 0.00 C ATOM 1918 O ARG A 118 -10.398 4.661 -8.113 1.00 0.00 O ATOM 1919 CB ARG A 118 -7.819 4.311 -6.625 1.00 0.00 C ATOM 1920 CG ARG A 118 -7.414 4.795 -8.007 1.00 0.00 C ATOM 1921 CD ARG A 118 -6.893 6.224 -7.967 1.00 0.00 C ATOM 1922 NE ARG A 118 -5.479 6.281 -7.608 1.00 0.00 N ATOM 1923 CZ ARG A 118 -4.501 5.862 -8.403 1.00 0.00 C ATOM 1924 NH1 ARG A 118 -4.783 5.358 -9.597 1.00 0.00 N ATOM 1925 NH2 ARG A 118 -3.238 5.947 -8.006 1.00 0.00 N ATOM 0 H ARG A 118 -9.589 3.018 -5.443 1.00 0.00 H new ATOM 0 HA ARG A 118 -8.858 5.799 -5.473 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -7.012 4.523 -5.924 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -7.943 3.228 -6.650 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -6.645 4.138 -8.413 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -8.270 4.737 -8.679 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -7.039 6.690 -8.941 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -7.473 6.801 -7.247 1.00 0.00 H new ATOM 0 HE ARG A 118 -5.228 6.664 -6.696 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -5.753 5.292 -9.906 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -4.030 5.037 -10.206 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -3.017 6.335 -7.089 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -2.488 5.625 -8.618 1.00 0.00 H new ATOM 1939 N ARG A 119 -10.158 6.759 -7.334 1.00 0.00 N ATOM 1940 CA ARG A 119 -10.945 7.363 -8.402 1.00 0.00 C ATOM 1941 C ARG A 119 -10.346 7.040 -9.768 1.00 0.00 C ATOM 1942 O ARG A 119 -9.134 7.135 -9.963 1.00 0.00 O ATOM 1943 CB ARG A 119 -11.023 8.879 -8.213 1.00 0.00 C ATOM 1944 CG ARG A 119 -12.265 9.506 -8.825 1.00 0.00 C ATOM 1945 CD ARG A 119 -12.621 10.817 -8.142 1.00 0.00 C ATOM 1946 NE ARG A 119 -13.306 10.603 -6.870 1.00 0.00 N ATOM 1947 CZ ARG A 119 -13.938 11.564 -6.205 1.00 0.00 C ATOM 1948 NH1 ARG A 119 -13.973 12.797 -6.689 1.00 0.00 N ATOM 1949 NH2 ARG A 119 -14.538 11.291 -5.053 1.00 0.00 N ATOM 0 H ARG A 119 -9.792 7.424 -6.652 1.00 0.00 H new ATOM 0 HA ARG A 119 -11.951 6.946 -8.358 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -11.000 9.105 -7.147 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -10.139 9.338 -8.656 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -12.099 9.681 -9.888 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -13.102 8.813 -8.743 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -11.713 11.395 -7.972 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -13.257 11.408 -8.801 1.00 0.00 H new ATOM 0 HE ARG A 119 -13.299 9.665 -6.470 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -13.514 13.011 -7.574 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -14.459 13.533 -6.176 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -14.514 10.343 -4.678 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -15.023 12.029 -4.543 1.00 0.00 H new ATOM 1963 N ASP A 120 -11.203 6.659 -10.709 1.00 0.00 N ATOM 1964 CA ASP A 120 -10.758 6.323 -12.056 1.00 0.00 C ATOM 1965 C ASP A 120 -10.333 7.575 -12.817 1.00 0.00 C ATOM 1966 O ASP A 120 -9.944 7.503 -13.983 1.00 0.00 O ATOM 1967 CB ASP A 120 -11.871 5.601 -12.818 1.00 0.00 C ATOM 1968 CG ASP A 120 -13.137 6.430 -12.916 1.00 0.00 C ATOM 1969 OD1 ASP A 120 -13.818 6.598 -11.883 1.00 0.00 O ATOM 1970 OD2 ASP A 120 -13.446 6.912 -14.026 1.00 0.00 O ATOM 0 H ASP A 120 -12.209 6.575 -10.564 1.00 0.00 H new ATOM 0 HA ASP A 120 -9.896 5.661 -11.973 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -11.521 5.357 -13.821 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -12.095 4.658 -12.320 1.00 0.00 H new TER 1975 ASP A 120