USER MOD reduce.3.24.130724 H: found=0, std=0, add=984, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 982 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 113 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 115 THR OG1 : rot -99:sc=0.000752 USER MOD Set 2.1: A 59 HIS : no HD1:sc=0.000838 K(o=0.36,f=-1.1) USER MOD Set 2.2: A 83 LYS NZ :NH3+ -169:sc= 0.363 (180deg=0) USER MOD Set 3.1: A 30 LYS NZ :NH3+ -133:sc= -0.259 (180deg=-1.58) USER MOD Set 3.2: A 74 THR OG1 : rot 180:sc= -0.236 USER MOD Set 4.1: A 20 LYS NZ :NH3+ -110:sc=-0.00538 (180deg=-1.13) USER MOD Set 4.2: A 110 HIS : no HD1:sc= -0.939 K(o=-0.94,f=-1.7!) 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 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.395 X(o=-0.4,f=-0.68) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.751 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -177:sc= -1.22 (180deg=-1.26) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -167:sc= -9.12! (180deg=-10.3!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 157:sc=-0.00433 (180deg=-0.618) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0.177 X(o=0.18,f=-0.024) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= 0.108 K(o=0.11,f=-1.3!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 94:sc= 0.616 USER MOD Single : A 77 MET CE :methyl 173:sc= -6.08 (180deg=-6.42!) USER MOD Single : A 78 GLN : amide:sc= -0.204 X(o=-0.2,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= -0.168 X(o=-0.17,f=0) USER MOD Single : A 90 TYR OH : rot -13:sc= 1.25 USER MOD Single : A 92 CYS SG : rot -143:sc= -0.808 USER MOD Single : A 95 THR OG1 : rot -39:sc= 0.967 USER MOD Single : A 96 TYR OH : rot 150:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 158:sc=-0.00181 (180deg=-0.112) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 98:sc= -0.276! USER MOD Single : A 103 CYS SG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= -0.457 X(o=-0.46,f=-0.13) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc=-0.00844 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.474 10.776 22.990 1.00 0.00 N ATOM 2 CA GLY A 1 1.656 11.642 22.161 1.00 0.00 C ATOM 3 C GLY A 1 1.686 11.242 20.699 1.00 0.00 C ATOM 4 O GLY A 1 1.353 10.110 20.351 1.00 0.00 O ATOM 0 H1 GLY A 1 2.420 11.091 23.980 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.127 9.798 22.918 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.462 10.818 22.667 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.627 11.618 22.520 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.004 12.670 22.261 1.00 0.00 H new ATOM 8 N SER A 2 2.085 12.176 19.841 1.00 0.00 N ATOM 9 CA SER A 2 2.152 11.917 18.407 1.00 0.00 C ATOM 10 C SER A 2 3.045 10.716 18.113 1.00 0.00 C ATOM 11 O SER A 2 4.222 10.701 18.472 1.00 0.00 O ATOM 12 CB SER A 2 2.677 13.150 17.669 1.00 0.00 C ATOM 13 OG SER A 2 2.539 13.002 16.267 1.00 0.00 O ATOM 0 H SER A 2 2.366 13.118 20.113 1.00 0.00 H new ATOM 0 HA SER A 2 1.145 11.693 18.056 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.133 14.035 18.000 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.726 13.309 17.920 1.00 0.00 H new ATOM 0 HG SER A 2 2.880 13.804 15.818 1.00 0.00 H new ATOM 19 N SER A 3 2.475 9.709 17.457 1.00 0.00 N ATOM 20 CA SER A 3 3.217 8.501 17.118 1.00 0.00 C ATOM 21 C SER A 3 3.338 8.345 15.605 1.00 0.00 C ATOM 22 O SER A 3 2.598 8.967 14.844 1.00 0.00 O ATOM 23 CB SER A 3 2.531 7.271 17.716 1.00 0.00 C ATOM 24 OG SER A 3 1.211 7.131 17.219 1.00 0.00 O ATOM 0 H SER A 3 1.502 9.707 17.150 1.00 0.00 H new ATOM 0 HA SER A 3 4.219 8.589 17.538 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.109 6.377 17.479 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.507 7.356 18.802 1.00 0.00 H new ATOM 0 HG SER A 3 0.795 6.337 17.615 1.00 0.00 H new ATOM 30 N GLY A 4 4.278 7.508 15.176 1.00 0.00 N ATOM 31 CA GLY A 4 4.480 7.285 13.756 1.00 0.00 C ATOM 32 C GLY A 4 5.884 6.812 13.438 1.00 0.00 C ATOM 33 O GLY A 4 6.673 6.535 14.341 1.00 0.00 O ATOM 0 H GLY A 4 4.903 6.981 15.786 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.762 6.546 13.402 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.280 8.209 13.214 1.00 0.00 H new ATOM 37 N SER A 5 6.197 6.717 12.149 1.00 0.00 N ATOM 38 CA SER A 5 7.515 6.269 11.714 1.00 0.00 C ATOM 39 C SER A 5 8.170 7.308 10.807 1.00 0.00 C ATOM 40 O SER A 5 7.509 8.223 10.315 1.00 0.00 O ATOM 41 CB SER A 5 7.405 4.932 10.979 1.00 0.00 C ATOM 42 OG SER A 5 6.737 3.967 11.774 1.00 0.00 O ATOM 0 H SER A 5 5.556 6.944 11.389 1.00 0.00 H new ATOM 0 HA SER A 5 8.138 6.139 12.599 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.866 5.072 10.042 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.401 4.571 10.723 1.00 0.00 H new ATOM 0 HG SER A 5 6.678 3.122 11.282 1.00 0.00 H new ATOM 48 N SER A 6 9.473 7.159 10.592 1.00 0.00 N ATOM 49 CA SER A 6 10.219 8.085 9.749 1.00 0.00 C ATOM 50 C SER A 6 9.816 7.932 8.285 1.00 0.00 C ATOM 51 O SER A 6 9.362 8.884 7.652 1.00 0.00 O ATOM 52 CB SER A 6 11.723 7.849 9.903 1.00 0.00 C ATOM 53 OG SER A 6 12.173 8.251 11.185 1.00 0.00 O ATOM 0 H SER A 6 10.034 6.406 10.990 1.00 0.00 H new ATOM 0 HA SER A 6 9.983 9.100 10.069 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.946 6.793 9.750 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.262 8.403 9.135 1.00 0.00 H new ATOM 0 HG SER A 6 13.137 8.089 11.259 1.00 0.00 H new ATOM 59 N GLY A 7 9.987 6.725 7.754 1.00 0.00 N ATOM 60 CA GLY A 7 9.637 6.468 6.369 1.00 0.00 C ATOM 61 C GLY A 7 10.674 6.999 5.400 1.00 0.00 C ATOM 62 O GLY A 7 10.539 8.109 4.884 1.00 0.00 O ATOM 0 H GLY A 7 10.361 5.921 8.258 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.521 5.394 6.220 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.672 6.926 6.150 1.00 0.00 H new ATOM 66 N ILE A 8 11.713 6.208 5.155 1.00 0.00 N ATOM 67 CA ILE A 8 12.777 6.606 4.243 1.00 0.00 C ATOM 68 C ILE A 8 13.025 5.535 3.186 1.00 0.00 C ATOM 69 O ILE A 8 13.022 5.817 1.987 1.00 0.00 O ATOM 70 CB ILE A 8 14.092 6.880 4.997 1.00 0.00 C ATOM 71 CG1 ILE A 8 13.886 7.981 6.040 1.00 0.00 C ATOM 72 CG2 ILE A 8 15.192 7.268 4.020 1.00 0.00 C ATOM 73 CD1 ILE A 8 14.993 8.052 7.069 1.00 0.00 C ATOM 0 H ILE A 8 11.840 5.288 5.576 1.00 0.00 H new ATOM 0 HA ILE A 8 12.448 7.524 3.757 1.00 0.00 H new ATOM 0 HB ILE A 8 14.396 5.969 5.512 1.00 0.00 H new ATOM 0 HG12 ILE A 8 13.811 8.942 5.532 1.00 0.00 H new ATOM 0 HG13 ILE A 8 12.937 7.815 6.550 1.00 0.00 H new ATOM 0 HG21 ILE A 8 16.115 7.458 4.568 1.00 0.00 H new ATOM 0 HG22 ILE A 8 15.352 6.456 3.311 1.00 0.00 H new ATOM 0 HG23 ILE A 8 14.898 8.168 3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 8 14.782 8.854 7.776 1.00 0.00 H new ATOM 0 HD12 ILE A 8 15.054 7.104 7.603 1.00 0.00 H new ATOM 0 HD13 ILE A 8 15.942 8.249 6.570 1.00 0.00 H new ATOM 85 N LEU A 9 13.237 4.304 3.638 1.00 0.00 N ATOM 86 CA LEU A 9 13.484 3.188 2.731 1.00 0.00 C ATOM 87 C LEU A 9 12.411 3.116 1.650 1.00 0.00 C ATOM 88 O LEU A 9 12.695 2.786 0.498 1.00 0.00 O ATOM 89 CB LEU A 9 13.528 1.872 3.510 1.00 0.00 C ATOM 90 CG LEU A 9 14.906 1.430 4.003 1.00 0.00 C ATOM 91 CD1 LEU A 9 14.783 0.645 5.300 1.00 0.00 C ATOM 92 CD2 LEU A 9 15.612 0.600 2.941 1.00 0.00 C ATOM 0 H LEU A 9 13.243 4.053 4.627 1.00 0.00 H new ATOM 0 HA LEU A 9 14.448 3.351 2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 9 12.867 1.961 4.372 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.121 1.084 2.876 1.00 0.00 H new ATOM 0 HG LEU A 9 15.504 2.321 4.196 1.00 0.00 H new ATOM 0 HD11 LEU A 9 15.774 0.339 5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 9 14.319 1.272 6.062 1.00 0.00 H new ATOM 0 HD13 LEU A 9 14.167 -0.239 5.133 1.00 0.00 H new ATOM 0 HD21 LEU A 9 16.591 0.294 3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 9 15.017 -0.285 2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 9 15.735 1.195 2.036 1.00 0.00 H new ATOM 104 N PHE A 10 11.176 3.430 2.028 1.00 0.00 N ATOM 105 CA PHE A 10 10.059 3.402 1.091 1.00 0.00 C ATOM 106 C PHE A 10 10.158 4.553 0.093 1.00 0.00 C ATOM 107 O PHE A 10 9.598 5.628 0.311 1.00 0.00 O ATOM 108 CB PHE A 10 8.730 3.480 1.845 1.00 0.00 C ATOM 109 CG PHE A 10 7.635 2.669 1.214 1.00 0.00 C ATOM 110 CD1 PHE A 10 7.716 1.286 1.171 1.00 0.00 C ATOM 111 CD2 PHE A 10 6.524 3.288 0.666 1.00 0.00 C ATOM 112 CE1 PHE A 10 6.709 0.537 0.591 1.00 0.00 C ATOM 113 CE2 PHE A 10 5.514 2.545 0.084 1.00 0.00 C ATOM 114 CZ PHE A 10 5.607 1.167 0.048 1.00 0.00 C ATOM 0 H PHE A 10 10.924 3.707 2.977 1.00 0.00 H new ATOM 0 HA PHE A 10 10.102 2.462 0.541 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.881 3.137 2.869 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.414 4.522 1.901 1.00 0.00 H new ATOM 0 HD1 PHE A 10 8.575 0.788 1.595 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.446 4.365 0.694 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.784 -0.540 0.563 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.654 3.041 -0.342 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.819 0.583 -0.404 1.00 0.00 H new ATOM 124 N ILE A 11 10.874 4.319 -1.001 1.00 0.00 N ATOM 125 CA ILE A 11 11.047 5.334 -2.033 1.00 0.00 C ATOM 126 C ILE A 11 9.743 6.083 -2.290 1.00 0.00 C ATOM 127 O ILE A 11 9.601 7.247 -1.917 1.00 0.00 O ATOM 128 CB ILE A 11 11.540 4.717 -3.354 1.00 0.00 C ATOM 129 CG1 ILE A 11 12.925 4.094 -3.165 1.00 0.00 C ATOM 130 CG2 ILE A 11 11.572 5.770 -4.452 1.00 0.00 C ATOM 131 CD1 ILE A 11 14.031 5.115 -3.014 1.00 0.00 C ATOM 0 H ILE A 11 11.344 3.435 -1.196 1.00 0.00 H new ATOM 0 HA ILE A 11 11.799 6.032 -1.666 1.00 0.00 H new ATOM 0 HB ILE A 11 10.846 3.931 -3.652 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.909 3.454 -2.283 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.146 3.454 -4.019 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.923 5.318 -5.380 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.570 6.172 -4.600 1.00 0.00 H new ATOM 0 HG23 ILE A 11 12.247 6.576 -4.164 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.984 4.602 -2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.074 5.740 -3.906 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.833 5.740 -2.143 1.00 0.00 H new ATOM 143 N GLU A 12 8.794 5.406 -2.928 1.00 0.00 N ATOM 144 CA GLU A 12 7.502 6.007 -3.234 1.00 0.00 C ATOM 145 C GLU A 12 6.434 5.530 -2.254 1.00 0.00 C ATOM 146 O GLU A 12 6.484 4.402 -1.763 1.00 0.00 O ATOM 147 CB GLU A 12 7.083 5.669 -4.666 1.00 0.00 C ATOM 148 CG GLU A 12 6.236 6.746 -5.324 1.00 0.00 C ATOM 149 CD GLU A 12 7.070 7.872 -5.901 1.00 0.00 C ATOM 150 OE1 GLU A 12 7.632 8.659 -5.111 1.00 0.00 O ATOM 151 OE2 GLU A 12 7.162 7.967 -7.143 1.00 0.00 O ATOM 0 H GLU A 12 8.896 4.441 -3.243 1.00 0.00 H new ATOM 0 HA GLU A 12 7.602 7.088 -3.138 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.977 5.504 -5.268 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.525 4.733 -4.661 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.638 6.298 -6.118 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.539 7.153 -4.591 1.00 0.00 H new ATOM 158 N LYS A 13 5.468 6.398 -1.972 1.00 0.00 N ATOM 159 CA LYS A 13 4.386 6.068 -1.052 1.00 0.00 C ATOM 160 C LYS A 13 3.027 6.282 -1.710 1.00 0.00 C ATOM 161 O LYS A 13 2.740 7.342 -2.265 1.00 0.00 O ATOM 162 CB LYS A 13 4.491 6.919 0.216 1.00 0.00 C ATOM 163 CG LYS A 13 5.801 6.739 0.963 1.00 0.00 C ATOM 164 CD LYS A 13 6.188 7.998 1.721 1.00 0.00 C ATOM 165 CE LYS A 13 7.693 8.092 1.914 1.00 0.00 C ATOM 166 NZ LYS A 13 8.109 9.442 2.386 1.00 0.00 N ATOM 0 H LYS A 13 5.413 7.336 -2.368 1.00 0.00 H new ATOM 0 HA LYS A 13 4.478 5.015 -0.785 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.376 7.970 -0.051 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.665 6.667 0.882 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.712 5.906 1.661 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.591 6.481 0.258 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.834 8.874 1.178 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.694 8.005 2.693 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.014 7.340 2.635 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.195 7.866 0.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.142 9.465 2.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.825 10.157 1.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.651 9.648 3.297 1.00 0.00 H new ATOM 180 N PRO A 14 2.169 5.253 -1.646 1.00 0.00 N ATOM 181 CA PRO A 14 0.825 5.305 -2.229 1.00 0.00 C ATOM 182 C PRO A 14 -0.100 6.250 -1.470 1.00 0.00 C ATOM 183 O PRO A 14 -0.541 5.943 -0.363 1.00 0.00 O ATOM 184 CB PRO A 14 0.330 3.862 -2.110 1.00 0.00 C ATOM 185 CG PRO A 14 1.098 3.291 -0.968 1.00 0.00 C ATOM 186 CD PRO A 14 2.445 3.959 -1.000 1.00 0.00 C ATOM 0 HA PRO A 14 0.839 5.682 -3.252 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.743 3.826 -1.923 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.512 3.304 -3.028 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.590 3.481 -0.022 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.196 2.210 -1.065 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.853 4.089 0.002 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.170 3.374 -1.566 1.00 0.00 H new ATOM 194 N GLN A 15 -0.388 7.399 -2.072 1.00 0.00 N ATOM 195 CA GLN A 15 -1.261 8.389 -1.451 1.00 0.00 C ATOM 196 C GLN A 15 -2.727 8.061 -1.711 1.00 0.00 C ATOM 197 O GLN A 15 -3.541 8.954 -1.943 1.00 0.00 O ATOM 198 CB GLN A 15 -0.937 9.788 -1.978 1.00 0.00 C ATOM 199 CG GLN A 15 0.429 10.299 -1.548 1.00 0.00 C ATOM 200 CD GLN A 15 0.706 10.058 -0.078 1.00 0.00 C ATOM 201 OE1 GLN A 15 -0.157 10.278 0.773 1.00 0.00 O ATOM 202 NE2 GLN A 15 1.915 9.605 0.231 1.00 0.00 N ATOM 0 H GLN A 15 -0.030 7.668 -2.989 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.088 8.365 -0.375 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.985 9.777 -3.067 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.701 10.484 -1.632 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.200 9.810 -2.144 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.495 11.367 -1.756 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.600 9.436 -0.506 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.159 9.426 1.205 1.00 0.00 H new ATOM 211 N GLY A 16 -3.057 6.774 -1.672 1.00 0.00 N ATOM 212 CA GLY A 16 -4.426 6.351 -1.906 1.00 0.00 C ATOM 213 C GLY A 16 -5.115 7.181 -2.971 1.00 0.00 C ATOM 214 O GLY A 16 -4.458 7.779 -3.823 1.00 0.00 O ATOM 0 H GLY A 16 -2.401 6.016 -1.483 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.433 5.303 -2.205 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.989 6.420 -0.975 1.00 0.00 H new ATOM 218 N GLY A 17 -6.443 7.217 -2.924 1.00 0.00 N ATOM 219 CA GLY A 17 -7.199 7.981 -3.899 1.00 0.00 C ATOM 220 C GLY A 17 -8.694 7.766 -3.771 1.00 0.00 C ATOM 221 O GLY A 17 -9.201 7.503 -2.680 1.00 0.00 O ATOM 0 H GLY A 17 -7.009 6.731 -2.228 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.976 9.041 -3.778 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.879 7.701 -4.903 1.00 0.00 H new ATOM 225 N THR A 18 -9.404 7.878 -4.890 1.00 0.00 N ATOM 226 CA THR A 18 -10.851 7.697 -4.898 1.00 0.00 C ATOM 227 C THR A 18 -11.308 6.982 -6.164 1.00 0.00 C ATOM 228 O THR A 18 -11.188 7.514 -7.268 1.00 0.00 O ATOM 229 CB THR A 18 -11.587 9.046 -4.790 1.00 0.00 C ATOM 230 OG1 THR A 18 -11.032 9.822 -3.723 1.00 0.00 O ATOM 231 CG2 THR A 18 -13.073 8.833 -4.549 1.00 0.00 C ATOM 0 H THR A 18 -9.001 8.093 -5.802 1.00 0.00 H new ATOM 0 HA THR A 18 -11.098 7.087 -4.029 1.00 0.00 H new ATOM 0 HB THR A 18 -11.461 9.581 -5.731 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.504 10.679 -3.662 1.00 0.00 H new ATOM 0 HG21 THR A 18 -13.572 9.799 -4.476 1.00 0.00 H new ATOM 0 HG22 THR A 18 -13.498 8.266 -5.377 1.00 0.00 H new ATOM 0 HG23 THR A 18 -13.215 8.280 -3.620 1.00 0.00 H new ATOM 239 N VAL A 19 -11.832 5.772 -5.998 1.00 0.00 N ATOM 240 CA VAL A 19 -12.310 4.984 -7.128 1.00 0.00 C ATOM 241 C VAL A 19 -13.822 4.799 -7.070 1.00 0.00 C ATOM 242 O VAL A 19 -14.396 4.618 -5.996 1.00 0.00 O ATOM 243 CB VAL A 19 -11.635 3.600 -7.172 1.00 0.00 C ATOM 244 CG1 VAL A 19 -11.991 2.793 -5.932 1.00 0.00 C ATOM 245 CG2 VAL A 19 -12.034 2.853 -8.436 1.00 0.00 C ATOM 0 H VAL A 19 -11.936 5.316 -5.092 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.050 5.536 -8.031 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.554 3.742 -7.187 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.505 1.818 -5.980 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.652 3.324 -5.043 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.072 2.658 -5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.548 1.877 -8.451 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -13.116 2.720 -8.454 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.724 3.426 -9.310 1.00 0.00 H new ATOM 255 N LYS A 20 -14.463 4.845 -8.233 1.00 0.00 N ATOM 256 CA LYS A 20 -15.909 4.681 -8.317 1.00 0.00 C ATOM 257 C LYS A 20 -16.306 3.225 -8.091 1.00 0.00 C ATOM 258 O LYS A 20 -15.525 2.311 -8.353 1.00 0.00 O ATOM 259 CB LYS A 20 -16.419 5.153 -9.680 1.00 0.00 C ATOM 260 CG LYS A 20 -17.900 5.491 -9.692 1.00 0.00 C ATOM 261 CD LYS A 20 -18.205 6.695 -8.817 1.00 0.00 C ATOM 262 CE LYS A 20 -17.402 7.913 -9.245 1.00 0.00 C ATOM 263 NZ LYS A 20 -18.133 9.182 -8.977 1.00 0.00 N ATOM 0 H LYS A 20 -14.003 4.995 -9.131 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.364 5.289 -7.535 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.852 6.032 -9.986 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.226 4.376 -10.420 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.220 5.693 -10.714 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.473 4.632 -9.343 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.270 6.923 -8.869 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.980 6.457 -7.777 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.449 7.924 -8.716 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.175 7.843 -10.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.428 9.610 -9.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.973 8.983 -8.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -17.509 9.841 -8.469 1.00 0.00 H new ATOM 277 N VAL A 21 -17.525 3.017 -7.603 1.00 0.00 N ATOM 278 CA VAL A 21 -18.026 1.673 -7.345 1.00 0.00 C ATOM 279 C VAL A 21 -18.090 0.854 -8.629 1.00 0.00 C ATOM 280 O VAL A 21 -18.836 1.183 -9.551 1.00 0.00 O ATOM 281 CB VAL A 21 -19.425 1.709 -6.702 1.00 0.00 C ATOM 282 CG1 VAL A 21 -20.037 0.317 -6.674 1.00 0.00 C ATOM 283 CG2 VAL A 21 -19.352 2.296 -5.300 1.00 0.00 C ATOM 0 H VAL A 21 -18.184 3.763 -7.378 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.328 1.203 -6.652 1.00 0.00 H new ATOM 0 HB VAL A 21 -20.067 2.350 -7.307 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -21.025 0.363 -6.216 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -20.126 -0.062 -7.692 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -19.399 -0.349 -6.094 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -20.349 2.314 -4.861 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -18.695 1.684 -4.683 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -18.960 3.312 -5.351 1.00 0.00 H new ATOM 293 N GLY A 22 -17.303 -0.216 -8.682 1.00 0.00 N ATOM 294 CA GLY A 22 -17.286 -1.067 -9.858 1.00 0.00 C ATOM 295 C GLY A 22 -16.124 -0.757 -10.781 1.00 0.00 C ATOM 296 O GLY A 22 -15.895 -1.466 -11.760 1.00 0.00 O ATOM 0 H GLY A 22 -16.677 -0.509 -7.932 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.231 -2.110 -9.547 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.222 -0.946 -10.404 1.00 0.00 H new ATOM 300 N GLU A 23 -15.389 0.306 -10.468 1.00 0.00 N ATOM 301 CA GLU A 23 -14.246 0.709 -11.279 1.00 0.00 C ATOM 302 C GLU A 23 -12.989 -0.046 -10.860 1.00 0.00 C ATOM 303 O GLU A 23 -13.036 -0.920 -9.994 1.00 0.00 O ATOM 304 CB GLU A 23 -14.013 2.217 -11.158 1.00 0.00 C ATOM 305 CG GLU A 23 -14.767 3.034 -12.194 1.00 0.00 C ATOM 306 CD GLU A 23 -14.379 4.500 -12.175 1.00 0.00 C ATOM 307 OE1 GLU A 23 -13.172 4.794 -12.048 1.00 0.00 O ATOM 308 OE2 GLU A 23 -15.284 5.354 -12.288 1.00 0.00 O ATOM 0 H GLU A 23 -15.565 0.903 -9.660 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.466 0.465 -12.318 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.312 2.544 -10.162 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.946 2.420 -11.253 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.574 2.624 -13.185 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -15.838 2.943 -12.014 1.00 0.00 H new ATOM 315 N ASP A 24 -11.865 0.297 -11.481 1.00 0.00 N ATOM 316 CA ASP A 24 -10.594 -0.348 -11.173 1.00 0.00 C ATOM 317 C ASP A 24 -9.529 0.688 -10.830 1.00 0.00 C ATOM 318 O ASP A 24 -9.312 1.642 -11.578 1.00 0.00 O ATOM 319 CB ASP A 24 -10.131 -1.201 -12.355 1.00 0.00 C ATOM 320 CG ASP A 24 -9.488 -0.373 -13.450 1.00 0.00 C ATOM 321 OD1 ASP A 24 -10.186 0.481 -14.035 1.00 0.00 O ATOM 322 OD2 ASP A 24 -8.287 -0.581 -13.724 1.00 0.00 O ATOM 0 H ASP A 24 -11.809 1.018 -12.200 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.742 -0.992 -10.306 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.420 -1.948 -12.003 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.984 -1.741 -12.766 1.00 0.00 H new ATOM 327 N ILE A 25 -8.867 0.495 -9.694 1.00 0.00 N ATOM 328 CA ILE A 25 -7.825 1.413 -9.252 1.00 0.00 C ATOM 329 C ILE A 25 -6.532 0.667 -8.940 1.00 0.00 C ATOM 330 O ILE A 25 -6.544 -0.534 -8.669 1.00 0.00 O ATOM 331 CB ILE A 25 -8.262 2.202 -8.004 1.00 0.00 C ATOM 332 CG1 ILE A 25 -7.137 3.130 -7.541 1.00 0.00 C ATOM 333 CG2 ILE A 25 -8.663 1.249 -6.888 1.00 0.00 C ATOM 334 CD1 ILE A 25 -7.609 4.244 -6.632 1.00 0.00 C ATOM 0 H ILE A 25 -9.034 -0.289 -9.063 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.651 2.111 -10.071 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.128 2.812 -8.263 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.383 2.541 -7.019 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.653 3.566 -8.415 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.969 1.822 -6.013 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.492 0.626 -7.222 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.815 0.615 -6.628 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.759 4.862 -6.343 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.342 4.857 -7.157 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.067 3.816 -5.740 1.00 0.00 H new ATOM 346 N THR A 26 -5.415 1.387 -8.979 1.00 0.00 N ATOM 347 CA THR A 26 -4.113 0.795 -8.701 1.00 0.00 C ATOM 348 C THR A 26 -3.264 1.717 -7.833 1.00 0.00 C ATOM 349 O THR A 26 -3.244 2.931 -8.034 1.00 0.00 O ATOM 350 CB THR A 26 -3.348 0.484 -10.001 1.00 0.00 C ATOM 351 OG1 THR A 26 -4.249 -0.026 -10.990 1.00 0.00 O ATOM 352 CG2 THR A 26 -2.240 -0.528 -9.748 1.00 0.00 C ATOM 0 H THR A 26 -5.387 2.382 -9.201 1.00 0.00 H new ATOM 0 HA THR A 26 -4.297 -0.136 -8.165 1.00 0.00 H new ATOM 0 HB THR A 26 -2.899 1.409 -10.362 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.755 -0.220 -11.814 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.714 -0.732 -10.680 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.539 -0.125 -9.016 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.672 -1.453 -9.366 1.00 0.00 H new ATOM 360 N PHE A 27 -2.563 1.132 -6.867 1.00 0.00 N ATOM 361 CA PHE A 27 -1.711 1.902 -5.968 1.00 0.00 C ATOM 362 C PHE A 27 -0.237 1.613 -6.234 1.00 0.00 C ATOM 363 O PHE A 27 0.147 0.470 -6.486 1.00 0.00 O ATOM 364 CB PHE A 27 -2.050 1.581 -4.511 1.00 0.00 C ATOM 365 CG PHE A 27 -3.505 1.755 -4.182 1.00 0.00 C ATOM 366 CD1 PHE A 27 -3.997 2.989 -3.786 1.00 0.00 C ATOM 367 CD2 PHE A 27 -4.381 0.685 -4.268 1.00 0.00 C ATOM 368 CE1 PHE A 27 -5.335 3.151 -3.482 1.00 0.00 C ATOM 369 CE2 PHE A 27 -5.721 0.842 -3.966 1.00 0.00 C ATOM 370 CZ PHE A 27 -6.198 2.077 -3.573 1.00 0.00 C ATOM 0 H PHE A 27 -2.568 0.128 -6.687 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.894 2.961 -6.152 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.758 0.553 -4.296 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.459 2.224 -3.859 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.327 3.833 -3.714 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.013 -0.283 -4.575 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.706 4.117 -3.173 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.394 0.000 -4.037 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.244 2.203 -3.337 1.00 0.00 H new ATOM 380 N ILE A 28 0.584 2.656 -6.178 1.00 0.00 N ATOM 381 CA ILE A 28 2.016 2.514 -6.413 1.00 0.00 C ATOM 382 C ILE A 28 2.791 2.520 -5.100 1.00 0.00 C ATOM 383 O ILE A 28 2.458 3.257 -4.173 1.00 0.00 O ATOM 384 CB ILE A 28 2.552 3.639 -7.317 1.00 0.00 C ATOM 385 CG1 ILE A 28 1.913 3.557 -8.705 1.00 0.00 C ATOM 386 CG2 ILE A 28 4.068 3.559 -7.421 1.00 0.00 C ATOM 387 CD1 ILE A 28 2.306 2.317 -9.478 1.00 0.00 C ATOM 0 H ILE A 28 0.283 3.608 -5.972 1.00 0.00 H new ATOM 0 HA ILE A 28 2.161 1.557 -6.914 1.00 0.00 H new ATOM 0 HB ILE A 28 2.288 4.598 -6.872 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.828 3.581 -8.599 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.197 4.439 -9.280 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.431 4.361 -8.063 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.507 3.662 -6.429 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.353 2.596 -7.846 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.817 2.325 -10.452 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.387 2.301 -9.615 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.998 1.430 -8.924 1.00 0.00 H new ATOM 399 N ALA A 29 3.829 1.693 -5.029 1.00 0.00 N ATOM 400 CA ALA A 29 4.655 1.605 -3.831 1.00 0.00 C ATOM 401 C ALA A 29 6.034 1.040 -4.155 1.00 0.00 C ATOM 402 O ALA A 29 6.167 -0.127 -4.524 1.00 0.00 O ATOM 403 CB ALA A 29 3.967 0.750 -2.777 1.00 0.00 C ATOM 0 H ALA A 29 4.118 1.074 -5.787 1.00 0.00 H new ATOM 0 HA ALA A 29 4.787 2.612 -3.436 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.595 0.693 -1.888 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.008 1.197 -2.516 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.805 -0.253 -3.171 1.00 0.00 H new ATOM 409 N LYS A 30 7.058 1.875 -4.015 1.00 0.00 N ATOM 410 CA LYS A 30 8.428 1.460 -4.292 1.00 0.00 C ATOM 411 C LYS A 30 9.253 1.414 -3.010 1.00 0.00 C ATOM 412 O LYS A 30 8.965 2.128 -2.049 1.00 0.00 O ATOM 413 CB LYS A 30 9.079 2.414 -5.296 1.00 0.00 C ATOM 414 CG LYS A 30 8.930 1.971 -6.741 1.00 0.00 C ATOM 415 CD LYS A 30 8.887 3.159 -7.687 1.00 0.00 C ATOM 416 CE LYS A 30 7.460 3.622 -7.936 1.00 0.00 C ATOM 417 NZ LYS A 30 6.851 2.936 -9.109 1.00 0.00 N ATOM 0 H LYS A 30 6.965 2.844 -3.711 1.00 0.00 H new ATOM 0 HA LYS A 30 8.398 0.458 -4.719 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.639 3.404 -5.181 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.139 2.507 -5.061 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.762 1.320 -7.011 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.018 1.384 -6.850 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.469 3.980 -7.268 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.353 2.888 -8.634 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.856 3.430 -7.049 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.451 4.699 -8.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.386 3.638 -9.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.593 2.446 -9.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.148 2.244 -8.780 1.00 0.00 H new ATOM 431 N VAL A 31 10.280 0.570 -3.002 1.00 0.00 N ATOM 432 CA VAL A 31 11.148 0.434 -1.839 1.00 0.00 C ATOM 433 C VAL A 31 12.613 0.347 -2.253 1.00 0.00 C ATOM 434 O VAL A 31 12.959 -0.347 -3.209 1.00 0.00 O ATOM 435 CB VAL A 31 10.785 -0.814 -1.011 1.00 0.00 C ATOM 436 CG1 VAL A 31 11.683 -0.923 0.212 1.00 0.00 C ATOM 437 CG2 VAL A 31 9.320 -0.776 -0.605 1.00 0.00 C ATOM 0 H VAL A 31 10.531 -0.030 -3.788 1.00 0.00 H new ATOM 0 HA VAL A 31 10.999 1.324 -1.227 1.00 0.00 H new ATOM 0 HB VAL A 31 10.944 -1.698 -1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.412 -1.810 0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.723 -1.000 -0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.559 -0.037 0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.081 -1.665 -0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.132 0.114 -0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.696 -0.750 -1.498 1.00 0.00 H new ATOM 447 N LYS A 32 13.470 1.056 -1.527 1.00 0.00 N ATOM 448 CA LYS A 32 14.899 1.059 -1.816 1.00 0.00 C ATOM 449 C LYS A 32 15.555 -0.230 -1.332 1.00 0.00 C ATOM 450 O LYS A 32 15.526 -0.543 -0.142 1.00 0.00 O ATOM 451 CB LYS A 32 15.571 2.265 -1.156 1.00 0.00 C ATOM 452 CG LYS A 32 16.945 2.581 -1.721 1.00 0.00 C ATOM 453 CD LYS A 32 16.847 3.304 -3.054 1.00 0.00 C ATOM 454 CE LYS A 32 18.011 2.950 -3.967 1.00 0.00 C ATOM 455 NZ LYS A 32 19.163 3.875 -3.783 1.00 0.00 N ATOM 0 H LYS A 32 13.200 1.637 -0.733 1.00 0.00 H new ATOM 0 HA LYS A 32 15.026 1.126 -2.897 1.00 0.00 H new ATOM 0 HB2 LYS A 32 14.929 3.138 -1.275 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.662 2.079 -0.086 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.498 3.197 -1.012 1.00 0.00 H new ATOM 0 HG3 LYS A 32 17.509 1.657 -1.848 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.908 3.043 -3.542 1.00 0.00 H new ATOM 0 HD3 LYS A 32 16.830 4.381 -2.885 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.331 1.927 -3.767 1.00 0.00 H new ATOM 0 HE3 LYS A 32 17.681 2.983 -5.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 19.935 3.600 -4.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 18.865 4.848 -3.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 19.495 3.825 -2.799 1.00 0.00 H new ATOM 469 N ALA A 33 16.147 -0.972 -2.261 1.00 0.00 N ATOM 470 CA ALA A 33 16.814 -2.225 -1.928 1.00 0.00 C ATOM 471 C ALA A 33 18.305 -2.153 -2.237 1.00 0.00 C ATOM 472 O ALA A 33 18.717 -1.512 -3.203 1.00 0.00 O ATOM 473 CB ALA A 33 16.172 -3.381 -2.682 1.00 0.00 C ATOM 0 H ALA A 33 16.179 -0.727 -3.251 1.00 0.00 H new ATOM 0 HA ALA A 33 16.700 -2.395 -0.857 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.680 -4.310 -2.424 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.120 -3.454 -2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 33 16.256 -3.207 -3.755 1.00 0.00 H new ATOM 479 N GLU A 34 19.109 -2.813 -1.410 1.00 0.00 N ATOM 480 CA GLU A 34 20.556 -2.821 -1.595 1.00 0.00 C ATOM 481 C GLU A 34 21.027 -4.167 -2.139 1.00 0.00 C ATOM 482 O GLU A 34 21.913 -4.228 -2.991 1.00 0.00 O ATOM 483 CB GLU A 34 21.263 -2.517 -0.273 1.00 0.00 C ATOM 484 CG GLU A 34 20.897 -1.165 0.316 1.00 0.00 C ATOM 485 CD GLU A 34 21.318 -1.028 1.766 1.00 0.00 C ATOM 486 OE1 GLU A 34 21.140 -1.998 2.531 1.00 0.00 O ATOM 487 OE2 GLU A 34 21.826 0.052 2.136 1.00 0.00 O ATOM 0 H GLU A 34 18.784 -3.349 -0.606 1.00 0.00 H new ATOM 0 HA GLU A 34 20.809 -2.047 -2.320 1.00 0.00 H new ATOM 0 HB2 GLU A 34 21.018 -3.297 0.448 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.341 -2.556 -0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 34 21.369 -0.377 -0.271 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.820 -1.019 0.239 1.00 0.00 H new ATOM 494 N ASP A 35 20.428 -5.243 -1.640 1.00 0.00 N ATOM 495 CA ASP A 35 20.785 -6.588 -2.075 1.00 0.00 C ATOM 496 C ASP A 35 19.776 -7.116 -3.090 1.00 0.00 C ATOM 497 O ASP A 35 18.609 -6.722 -3.086 1.00 0.00 O ATOM 498 CB ASP A 35 20.860 -7.532 -0.874 1.00 0.00 C ATOM 499 CG ASP A 35 21.862 -8.651 -1.079 1.00 0.00 C ATOM 500 OD1 ASP A 35 21.515 -9.643 -1.753 1.00 0.00 O ATOM 501 OD2 ASP A 35 22.995 -8.534 -0.566 1.00 0.00 O ATOM 0 H ASP A 35 19.693 -5.210 -0.934 1.00 0.00 H new ATOM 0 HA ASP A 35 21.764 -6.541 -2.553 1.00 0.00 H new ATOM 0 HB2 ASP A 35 21.132 -6.963 0.015 1.00 0.00 H new ATOM 0 HB3 ASP A 35 19.875 -7.960 -0.690 1.00 0.00 H new ATOM 506 N LEU A 36 20.234 -8.009 -3.961 1.00 0.00 N ATOM 507 CA LEU A 36 19.373 -8.591 -4.984 1.00 0.00 C ATOM 508 C LEU A 36 19.125 -10.071 -4.710 1.00 0.00 C ATOM 509 O LEU A 36 18.482 -10.761 -5.503 1.00 0.00 O ATOM 510 CB LEU A 36 20.001 -8.415 -6.368 1.00 0.00 C ATOM 511 CG LEU A 36 20.854 -7.161 -6.563 1.00 0.00 C ATOM 512 CD1 LEU A 36 21.367 -7.082 -7.993 1.00 0.00 C ATOM 513 CD2 LEU A 36 20.057 -5.914 -6.211 1.00 0.00 C ATOM 0 H LEU A 36 21.197 -8.345 -3.979 1.00 0.00 H new ATOM 0 HA LEU A 36 18.416 -8.070 -4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 36 20.620 -9.287 -6.578 1.00 0.00 H new ATOM 0 HB3 LEU A 36 19.202 -8.405 -7.109 1.00 0.00 H new ATOM 0 HG LEU A 36 21.712 -7.220 -5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 36 21.972 -6.183 -8.113 1.00 0.00 H new ATOM 0 HD12 LEU A 36 21.975 -7.960 -8.211 1.00 0.00 H new ATOM 0 HD13 LEU A 36 20.522 -7.046 -8.681 1.00 0.00 H new ATOM 0 HD21 LEU A 36 20.680 -5.031 -6.356 1.00 0.00 H new ATOM 0 HD22 LEU A 36 19.180 -5.849 -6.855 1.00 0.00 H new ATOM 0 HD23 LEU A 36 19.739 -5.967 -5.170 1.00 0.00 H new ATOM 525 N LEU A 37 19.637 -10.552 -3.583 1.00 0.00 N ATOM 526 CA LEU A 37 19.469 -11.950 -3.202 1.00 0.00 C ATOM 527 C LEU A 37 18.192 -12.145 -2.392 1.00 0.00 C ATOM 528 O LEU A 37 17.594 -13.221 -2.406 1.00 0.00 O ATOM 529 CB LEU A 37 20.677 -12.427 -2.394 1.00 0.00 C ATOM 530 CG LEU A 37 22.050 -12.122 -2.994 1.00 0.00 C ATOM 531 CD1 LEU A 37 23.141 -12.300 -1.950 1.00 0.00 C ATOM 532 CD2 LEU A 37 22.314 -13.011 -4.201 1.00 0.00 C ATOM 0 H LEU A 37 20.172 -9.995 -2.917 1.00 0.00 H new ATOM 0 HA LEU A 37 19.392 -12.542 -4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 37 20.627 -11.975 -1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 37 20.594 -13.505 -2.257 1.00 0.00 H new ATOM 0 HG LEU A 37 22.058 -11.083 -3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 37 24.111 -12.079 -2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 37 22.961 -11.621 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 37 23.134 -13.328 -1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 37 23.295 -12.780 -4.615 1.00 0.00 H new ATOM 0 HD22 LEU A 37 22.286 -14.057 -3.896 1.00 0.00 H new ATOM 0 HD23 LEU A 37 21.550 -12.833 -4.958 1.00 0.00 H new ATOM 544 N ARG A 38 17.778 -11.096 -1.689 1.00 0.00 N ATOM 545 CA ARG A 38 16.570 -11.151 -0.874 1.00 0.00 C ATOM 546 C ARG A 38 15.419 -10.420 -1.557 1.00 0.00 C ATOM 547 O ARG A 38 15.581 -9.858 -2.641 1.00 0.00 O ATOM 548 CB ARG A 38 16.831 -10.539 0.504 1.00 0.00 C ATOM 549 CG ARG A 38 18.104 -11.043 1.163 1.00 0.00 C ATOM 550 CD ARG A 38 19.330 -10.313 0.638 1.00 0.00 C ATOM 551 NE ARG A 38 20.503 -10.536 1.479 1.00 0.00 N ATOM 552 CZ ARG A 38 21.135 -11.702 1.565 1.00 0.00 C ATOM 553 NH1 ARG A 38 20.709 -12.743 0.864 1.00 0.00 N ATOM 554 NH2 ARG A 38 22.195 -11.826 2.353 1.00 0.00 N ATOM 0 H ARG A 38 18.261 -10.198 -1.667 1.00 0.00 H new ATOM 0 HA ARG A 38 16.291 -12.198 -0.753 1.00 0.00 H new ATOM 0 HB2 ARG A 38 16.887 -9.455 0.406 1.00 0.00 H new ATOM 0 HB3 ARG A 38 15.984 -10.756 1.155 1.00 0.00 H new ATOM 0 HG2 ARG A 38 18.034 -10.909 2.242 1.00 0.00 H new ATOM 0 HG3 ARG A 38 18.210 -12.112 0.981 1.00 0.00 H new ATOM 0 HD2 ARG A 38 19.543 -10.647 -0.377 1.00 0.00 H new ATOM 0 HD3 ARG A 38 19.120 -9.245 0.585 1.00 0.00 H new ATOM 0 HE ARG A 38 20.857 -9.754 2.030 1.00 0.00 H new ATOM 0 HH11 ARG A 38 19.895 -12.650 0.257 1.00 0.00 H new ATOM 0 HH12 ARG A 38 21.196 -13.637 0.932 1.00 0.00 H new ATOM 0 HH21 ARG A 38 22.525 -11.026 2.893 1.00 0.00 H new ATOM 0 HH22 ARG A 38 22.680 -12.721 2.419 1.00 0.00 H new ATOM 568 N LYS A 39 14.254 -10.431 -0.917 1.00 0.00 N ATOM 569 CA LYS A 39 13.075 -9.769 -1.462 1.00 0.00 C ATOM 570 C LYS A 39 12.178 -9.249 -0.343 1.00 0.00 C ATOM 571 O LYS A 39 11.709 -10.003 0.510 1.00 0.00 O ATOM 572 CB LYS A 39 12.290 -10.733 -2.353 1.00 0.00 C ATOM 573 CG LYS A 39 11.466 -10.038 -3.424 1.00 0.00 C ATOM 574 CD LYS A 39 10.381 -10.949 -3.972 1.00 0.00 C ATOM 575 CE LYS A 39 10.960 -12.021 -4.883 1.00 0.00 C ATOM 576 NZ LYS A 39 10.073 -13.214 -4.970 1.00 0.00 N ATOM 0 H LYS A 39 14.102 -10.892 -0.020 1.00 0.00 H new ATOM 0 HA LYS A 39 13.409 -8.921 -2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.987 -11.421 -2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.628 -11.333 -1.729 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.011 -9.139 -3.008 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.119 -9.719 -4.236 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.849 -11.421 -3.146 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.651 -10.356 -4.524 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.111 -11.607 -5.880 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.939 -12.323 -4.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.503 -13.921 -5.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.949 -13.624 -4.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.147 -12.931 -5.348 1.00 0.00 H new ATOM 590 N PRO A 40 11.931 -7.931 -0.346 1.00 0.00 N ATOM 591 CA PRO A 40 11.086 -7.282 0.661 1.00 0.00 C ATOM 592 C PRO A 40 9.616 -7.657 0.514 1.00 0.00 C ATOM 593 O PRO A 40 9.004 -7.417 -0.528 1.00 0.00 O ATOM 594 CB PRO A 40 11.287 -5.790 0.385 1.00 0.00 C ATOM 595 CG PRO A 40 11.673 -5.720 -1.052 1.00 0.00 C ATOM 596 CD PRO A 40 12.456 -6.973 -1.333 1.00 0.00 C ATOM 0 HA PRO A 40 11.356 -7.583 1.673 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.375 -5.225 0.578 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.063 -5.370 1.025 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.791 -5.660 -1.690 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.273 -4.832 -1.252 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.302 -7.323 -2.354 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.527 -6.814 -1.209 1.00 0.00 H new ATOM 604 N THR A 41 9.052 -8.248 1.563 1.00 0.00 N ATOM 605 CA THR A 41 7.653 -8.657 1.550 1.00 0.00 C ATOM 606 C THR A 41 6.732 -7.473 1.819 1.00 0.00 C ATOM 607 O THR A 41 7.014 -6.637 2.679 1.00 0.00 O ATOM 608 CB THR A 41 7.379 -9.754 2.596 1.00 0.00 C ATOM 609 OG1 THR A 41 8.305 -10.833 2.428 1.00 0.00 O ATOM 610 CG2 THR A 41 5.956 -10.277 2.472 1.00 0.00 C ATOM 0 H THR A 41 9.543 -8.454 2.433 1.00 0.00 H new ATOM 0 HA THR A 41 7.449 -9.054 0.556 1.00 0.00 H new ATOM 0 HB THR A 41 7.504 -9.319 3.588 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.125 -11.526 3.098 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.786 -11.051 3.221 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.253 -9.459 2.629 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.808 -10.697 1.477 1.00 0.00 H new ATOM 618 N ILE A 42 5.629 -7.407 1.080 1.00 0.00 N ATOM 619 CA ILE A 42 4.666 -6.326 1.241 1.00 0.00 C ATOM 620 C ILE A 42 3.254 -6.871 1.433 1.00 0.00 C ATOM 621 O ILE A 42 2.752 -7.629 0.603 1.00 0.00 O ATOM 622 CB ILE A 42 4.677 -5.377 0.028 1.00 0.00 C ATOM 623 CG1 ILE A 42 3.679 -4.236 0.236 1.00 0.00 C ATOM 624 CG2 ILE A 42 4.356 -6.142 -1.247 1.00 0.00 C ATOM 625 CD1 ILE A 42 3.803 -3.129 -0.788 1.00 0.00 C ATOM 0 H ILE A 42 5.381 -8.090 0.364 1.00 0.00 H new ATOM 0 HA ILE A 42 4.962 -5.770 2.130 1.00 0.00 H new ATOM 0 HB ILE A 42 5.675 -4.949 -0.070 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.667 -4.639 0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.822 -3.816 1.232 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.368 -5.457 -2.095 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.101 -6.922 -1.401 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.369 -6.595 -1.160 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.065 -2.355 -0.578 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.803 -2.699 -0.740 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.630 -3.535 -1.785 1.00 0.00 H new ATOM 637 N LYS A 43 2.619 -6.478 2.531 1.00 0.00 N ATOM 638 CA LYS A 43 1.263 -6.924 2.832 1.00 0.00 C ATOM 639 C LYS A 43 0.317 -5.735 2.967 1.00 0.00 C ATOM 640 O LYS A 43 0.575 -4.810 3.736 1.00 0.00 O ATOM 641 CB LYS A 43 1.250 -7.749 4.121 1.00 0.00 C ATOM 642 CG LYS A 43 -0.019 -8.562 4.310 1.00 0.00 C ATOM 643 CD LYS A 43 0.108 -9.946 3.696 1.00 0.00 C ATOM 644 CE LYS A 43 0.973 -10.858 4.552 1.00 0.00 C ATOM 645 NZ LYS A 43 1.667 -11.892 3.735 1.00 0.00 N ATOM 0 H LYS A 43 3.021 -5.851 3.228 1.00 0.00 H new ATOM 0 HA LYS A 43 0.920 -7.547 2.006 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.107 -8.423 4.120 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.373 -7.079 4.972 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.238 -8.654 5.374 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.859 -8.037 3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.882 -10.386 3.580 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.540 -9.864 2.698 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.712 -10.261 5.086 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.353 -11.346 5.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.246 -12.493 4.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.962 -12.478 3.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.279 -11.427 3.034 1.00 0.00 H new ATOM 659 N TRP A 44 -0.778 -5.769 2.217 1.00 0.00 N ATOM 660 CA TRP A 44 -1.764 -4.695 2.254 1.00 0.00 C ATOM 661 C TRP A 44 -2.882 -5.016 3.240 1.00 0.00 C ATOM 662 O TRP A 44 -3.460 -6.102 3.205 1.00 0.00 O ATOM 663 CB TRP A 44 -2.347 -4.461 0.860 1.00 0.00 C ATOM 664 CG TRP A 44 -1.303 -4.236 -0.191 1.00 0.00 C ATOM 665 CD1 TRP A 44 -0.479 -5.175 -0.742 1.00 0.00 C ATOM 666 CD2 TRP A 44 -0.970 -2.991 -0.815 1.00 0.00 C ATOM 667 NE1 TRP A 44 0.347 -4.589 -1.672 1.00 0.00 N ATOM 668 CE2 TRP A 44 0.065 -3.250 -1.736 1.00 0.00 C ATOM 669 CE3 TRP A 44 -1.446 -1.683 -0.688 1.00 0.00 C ATOM 670 CZ2 TRP A 44 0.630 -2.249 -2.521 1.00 0.00 C ATOM 671 CZ3 TRP A 44 -0.884 -0.691 -1.468 1.00 0.00 C ATOM 672 CH2 TRP A 44 0.144 -0.978 -2.376 1.00 0.00 C ATOM 0 H TRP A 44 -1.006 -6.529 1.576 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.262 -3.786 2.586 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.955 -5.321 0.579 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.012 -3.598 0.892 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.476 -6.224 -0.485 1.00 0.00 H new ATOM 0 HE1 TRP A 44 1.055 -5.073 -2.225 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.239 -1.452 0.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.424 -2.468 -3.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.243 0.323 -1.376 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.561 -0.180 -2.973 1.00 0.00 H new ATOM 683 N PHE A 45 -3.183 -4.065 4.117 1.00 0.00 N ATOM 684 CA PHE A 45 -4.232 -4.247 5.113 1.00 0.00 C ATOM 685 C PHE A 45 -5.256 -3.119 5.038 1.00 0.00 C ATOM 686 O PHE A 45 -4.917 -1.976 4.731 1.00 0.00 O ATOM 687 CB PHE A 45 -3.627 -4.309 6.517 1.00 0.00 C ATOM 688 CG PHE A 45 -3.013 -5.639 6.848 1.00 0.00 C ATOM 689 CD1 PHE A 45 -3.799 -6.686 7.301 1.00 0.00 C ATOM 690 CD2 PHE A 45 -1.650 -5.842 6.706 1.00 0.00 C ATOM 691 CE1 PHE A 45 -3.238 -7.912 7.606 1.00 0.00 C ATOM 692 CE2 PHE A 45 -1.083 -7.066 7.009 1.00 0.00 C ATOM 693 CZ PHE A 45 -1.877 -8.102 7.460 1.00 0.00 C ATOM 0 H PHE A 45 -2.715 -3.160 4.158 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.739 -5.188 4.901 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.867 -3.534 6.611 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.403 -4.084 7.248 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.863 -6.543 7.417 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.024 -5.035 6.355 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.862 -8.720 7.958 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.019 -7.212 6.893 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.435 -9.058 7.698 1.00 0.00 H new ATOM 703 N LYS A 46 -6.512 -3.448 5.319 1.00 0.00 N ATOM 704 CA LYS A 46 -7.588 -2.464 5.285 1.00 0.00 C ATOM 705 C LYS A 46 -8.295 -2.383 6.634 1.00 0.00 C ATOM 706 O LYS A 46 -8.382 -3.372 7.360 1.00 0.00 O ATOM 707 CB LYS A 46 -8.596 -2.819 4.189 1.00 0.00 C ATOM 708 CG LYS A 46 -9.802 -1.896 4.150 1.00 0.00 C ATOM 709 CD LYS A 46 -9.401 -0.471 3.804 1.00 0.00 C ATOM 710 CE LYS A 46 -10.571 0.489 3.956 1.00 0.00 C ATOM 711 NZ LYS A 46 -11.149 0.447 5.328 1.00 0.00 N ATOM 0 H LYS A 46 -6.810 -4.390 5.573 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.150 -1.490 5.066 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.094 -2.789 3.222 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.937 -3.843 4.339 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.518 -2.262 3.415 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.303 -1.909 5.118 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.583 -0.155 4.451 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.030 -0.435 2.780 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.240 1.503 3.732 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.343 0.238 3.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.975 1.077 5.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.442 -0.526 5.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.434 0.760 6.016 1.00 0.00 H new ATOM 725 N GLY A 47 -8.799 -1.198 6.962 1.00 0.00 N ATOM 726 CA GLY A 47 -9.493 -1.010 8.223 1.00 0.00 C ATOM 727 C GLY A 47 -8.637 -1.382 9.417 1.00 0.00 C ATOM 728 O GLY A 47 -7.489 -0.950 9.526 1.00 0.00 O ATOM 0 H GLY A 47 -8.739 -0.364 6.377 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.802 0.031 8.312 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.400 -1.614 8.228 1.00 0.00 H new ATOM 732 N LYS A 48 -9.195 -2.184 10.317 1.00 0.00 N ATOM 733 CA LYS A 48 -8.476 -2.614 11.510 1.00 0.00 C ATOM 734 C LYS A 48 -8.019 -4.063 11.377 1.00 0.00 C ATOM 735 O LYS A 48 -6.832 -4.363 11.505 1.00 0.00 O ATOM 736 CB LYS A 48 -9.362 -2.460 12.748 1.00 0.00 C ATOM 737 CG LYS A 48 -8.580 -2.326 14.043 1.00 0.00 C ATOM 738 CD LYS A 48 -7.932 -3.641 14.442 1.00 0.00 C ATOM 739 CE LYS A 48 -7.138 -3.503 15.732 1.00 0.00 C ATOM 740 NZ LYS A 48 -5.819 -2.850 15.503 1.00 0.00 N ATOM 0 H LYS A 48 -10.144 -2.550 10.243 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.595 -1.982 11.620 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.996 -1.582 12.624 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.024 -3.323 12.821 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.812 -1.561 13.928 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.246 -1.992 14.838 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.701 -4.403 14.567 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.273 -3.980 13.643 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.712 -2.919 16.452 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.984 -4.489 16.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.308 -2.774 16.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.261 -3.420 14.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.966 -1.899 15.108 1.00 0.00 H new ATOM 754 N TRP A 49 -8.967 -4.956 11.118 1.00 0.00 N ATOM 755 CA TRP A 49 -8.660 -6.374 10.966 1.00 0.00 C ATOM 756 C TRP A 49 -8.663 -6.777 9.496 1.00 0.00 C ATOM 757 O TRP A 49 -7.870 -7.617 9.071 1.00 0.00 O ATOM 758 CB TRP A 49 -9.670 -7.222 11.742 1.00 0.00 C ATOM 759 CG TRP A 49 -9.912 -6.728 13.136 1.00 0.00 C ATOM 760 CD1 TRP A 49 -10.640 -5.633 13.503 1.00 0.00 C ATOM 761 CD2 TRP A 49 -9.424 -7.312 14.349 1.00 0.00 C ATOM 762 NE1 TRP A 49 -10.634 -5.500 14.870 1.00 0.00 N ATOM 763 CE2 TRP A 49 -9.896 -6.519 15.413 1.00 0.00 C ATOM 764 CE3 TRP A 49 -8.637 -8.430 14.640 1.00 0.00 C ATOM 765 CZ2 TRP A 49 -9.604 -6.808 16.743 1.00 0.00 C ATOM 766 CZ3 TRP A 49 -8.348 -8.715 15.961 1.00 0.00 C ATOM 767 CH2 TRP A 49 -8.831 -7.907 16.999 1.00 0.00 C ATOM 0 H TRP A 49 -9.954 -4.724 11.009 1.00 0.00 H new ATOM 0 HA TRP A 49 -7.663 -6.549 11.370 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.615 -7.236 11.200 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -9.313 -8.251 11.785 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -11.147 -4.969 12.819 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -11.103 -4.762 15.396 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.262 -9.060 13.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -9.975 -6.186 17.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.739 -9.575 16.197 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.588 -8.157 18.021 1.00 0.00 H new ATOM 778 N MET A 50 -9.560 -6.173 8.723 1.00 0.00 N ATOM 779 CA MET A 50 -9.664 -6.469 7.299 1.00 0.00 C ATOM 780 C MET A 50 -8.281 -6.586 6.665 1.00 0.00 C ATOM 781 O MET A 50 -7.448 -5.691 6.803 1.00 0.00 O ATOM 782 CB MET A 50 -10.473 -5.383 6.588 1.00 0.00 C ATOM 783 CG MET A 50 -11.259 -5.895 5.392 1.00 0.00 C ATOM 784 SD MET A 50 -10.194 -6.468 4.055 1.00 0.00 S ATOM 785 CE MET A 50 -10.677 -5.356 2.737 1.00 0.00 C ATOM 0 H MET A 50 -10.225 -5.476 9.059 1.00 0.00 H new ATOM 0 HA MET A 50 -10.177 -7.425 7.189 1.00 0.00 H new ATOM 0 HB2 MET A 50 -11.164 -4.931 7.300 1.00 0.00 H new ATOM 0 HB3 MET A 50 -9.796 -4.595 6.257 1.00 0.00 H new ATOM 0 HG2 MET A 50 -11.907 -6.712 5.711 1.00 0.00 H new ATOM 0 HG3 MET A 50 -11.906 -5.101 5.021 1.00 0.00 H new ATOM 0 HE1 MET A 50 -10.284 -5.723 1.789 1.00 0.00 H new ATOM 0 HE2 MET A 50 -11.765 -5.305 2.684 1.00 0.00 H new ATOM 0 HE3 MET A 50 -10.276 -4.362 2.935 1.00 0.00 H new ATOM 795 N ASP A 51 -8.045 -7.695 5.973 1.00 0.00 N ATOM 796 CA ASP A 51 -6.763 -7.928 5.318 1.00 0.00 C ATOM 797 C ASP A 51 -6.949 -8.136 3.818 1.00 0.00 C ATOM 798 O ASP A 51 -7.483 -9.158 3.384 1.00 0.00 O ATOM 799 CB ASP A 51 -6.066 -9.144 5.931 1.00 0.00 C ATOM 800 CG ASP A 51 -4.664 -9.343 5.389 1.00 0.00 C ATOM 801 OD1 ASP A 51 -4.368 -8.806 4.301 1.00 0.00 O ATOM 802 OD2 ASP A 51 -3.864 -10.035 6.052 1.00 0.00 O ATOM 0 H ASP A 51 -8.724 -8.446 5.851 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.140 -7.047 5.470 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.020 -9.025 7.014 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.659 -10.037 5.733 1.00 0.00 H new ATOM 807 N LEU A 52 -6.507 -7.161 3.031 1.00 0.00 N ATOM 808 CA LEU A 52 -6.626 -7.237 1.579 1.00 0.00 C ATOM 809 C LEU A 52 -5.874 -8.447 1.034 1.00 0.00 C ATOM 810 O LEU A 52 -6.305 -9.073 0.066 1.00 0.00 O ATOM 811 CB LEU A 52 -6.089 -5.957 0.937 1.00 0.00 C ATOM 812 CG LEU A 52 -6.573 -4.643 1.552 1.00 0.00 C ATOM 813 CD1 LEU A 52 -6.182 -3.466 0.672 1.00 0.00 C ATOM 814 CD2 LEU A 52 -8.079 -4.677 1.764 1.00 0.00 C ATOM 0 H LEU A 52 -6.063 -6.309 3.374 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.682 -7.346 1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.000 -5.979 0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.360 -5.962 -0.119 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.093 -4.519 2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.535 -2.540 1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.097 -3.431 0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.634 -3.583 -0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.406 -3.734 2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.578 -4.824 0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.333 -5.497 2.436 1.00 0.00 H new ATOM 826 N ALA A 53 -4.750 -8.772 1.663 1.00 0.00 N ATOM 827 CA ALA A 53 -3.941 -9.909 1.243 1.00 0.00 C ATOM 828 C ALA A 53 -4.813 -11.128 0.959 1.00 0.00 C ATOM 829 O ALA A 53 -4.650 -11.795 -0.063 1.00 0.00 O ATOM 830 CB ALA A 53 -2.902 -10.238 2.305 1.00 0.00 C ATOM 0 H ALA A 53 -4.379 -8.264 2.466 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.429 -9.638 0.320 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.305 -11.089 1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.252 -9.376 2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.404 -10.485 3.241 1.00 0.00 H new ATOM 836 N SER A 54 -5.738 -11.413 1.869 1.00 0.00 N ATOM 837 CA SER A 54 -6.633 -12.554 1.718 1.00 0.00 C ATOM 838 C SER A 54 -7.768 -12.230 0.751 1.00 0.00 C ATOM 839 O SER A 54 -8.261 -13.104 0.037 1.00 0.00 O ATOM 840 CB SER A 54 -7.206 -12.964 3.076 1.00 0.00 C ATOM 841 OG SER A 54 -8.148 -14.013 2.937 1.00 0.00 O ATOM 0 H SER A 54 -5.888 -10.869 2.719 1.00 0.00 H new ATOM 0 HA SER A 54 -6.057 -13.384 1.310 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.397 -13.282 3.734 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.682 -12.104 3.548 1.00 0.00 H new ATOM 0 HG SER A 54 -8.498 -14.257 3.819 1.00 0.00 H new ATOM 847 N LYS A 55 -8.180 -10.967 0.734 1.00 0.00 N ATOM 848 CA LYS A 55 -9.256 -10.524 -0.145 1.00 0.00 C ATOM 849 C LYS A 55 -8.854 -10.663 -1.610 1.00 0.00 C ATOM 850 O LYS A 55 -9.708 -10.784 -2.488 1.00 0.00 O ATOM 851 CB LYS A 55 -9.623 -9.070 0.158 1.00 0.00 C ATOM 852 CG LYS A 55 -10.039 -8.835 1.600 1.00 0.00 C ATOM 853 CD LYS A 55 -11.453 -9.327 1.860 1.00 0.00 C ATOM 854 CE LYS A 55 -12.476 -8.221 1.650 1.00 0.00 C ATOM 855 NZ LYS A 55 -12.963 -8.176 0.243 1.00 0.00 N ATOM 0 H LYS A 55 -7.785 -10.231 1.320 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.124 -11.157 0.037 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.769 -8.433 -0.073 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.436 -8.765 -0.500 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.346 -9.347 2.268 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.975 -7.771 1.829 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.677 -10.162 1.196 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.527 -9.703 2.880 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.320 -8.375 2.322 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.032 -7.261 1.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.894 -7.713 0.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.290 -7.639 -0.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.046 -9.144 -0.127 1.00 0.00 H new ATOM 869 N ALA A 56 -7.550 -10.646 -1.865 1.00 0.00 N ATOM 870 CA ALA A 56 -7.036 -10.774 -3.223 1.00 0.00 C ATOM 871 C ALA A 56 -7.516 -12.068 -3.872 1.00 0.00 C ATOM 872 O ALA A 56 -7.147 -13.161 -3.446 1.00 0.00 O ATOM 873 CB ALA A 56 -5.516 -10.715 -3.220 1.00 0.00 C ATOM 0 H ALA A 56 -6.830 -10.545 -1.149 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.420 -9.940 -3.810 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.146 -10.812 -4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.190 -9.761 -2.805 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.121 -11.529 -2.612 1.00 0.00 H new ATOM 879 N GLY A 57 -8.341 -11.936 -4.906 1.00 0.00 N ATOM 880 CA GLY A 57 -8.858 -13.103 -5.596 1.00 0.00 C ATOM 881 C GLY A 57 -9.476 -12.757 -6.937 1.00 0.00 C ATOM 882 O GLY A 57 -8.853 -12.944 -7.983 1.00 0.00 O ATOM 0 H GLY A 57 -8.661 -11.042 -5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.051 -13.820 -5.746 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.605 -13.590 -4.970 1.00 0.00 H new ATOM 886 N LYS A 58 -10.705 -12.253 -6.908 1.00 0.00 N ATOM 887 CA LYS A 58 -11.408 -11.881 -8.130 1.00 0.00 C ATOM 888 C LYS A 58 -11.712 -10.386 -8.149 1.00 0.00 C ATOM 889 O LYS A 58 -11.646 -9.742 -9.197 1.00 0.00 O ATOM 890 CB LYS A 58 -12.708 -12.678 -8.258 1.00 0.00 C ATOM 891 CG LYS A 58 -13.518 -12.326 -9.494 1.00 0.00 C ATOM 892 CD LYS A 58 -14.684 -13.281 -9.687 1.00 0.00 C ATOM 893 CE LYS A 58 -15.824 -12.970 -8.729 1.00 0.00 C ATOM 894 NZ LYS A 58 -17.126 -13.490 -9.230 1.00 0.00 N ATOM 0 H LYS A 58 -11.235 -12.093 -6.051 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.762 -12.114 -8.976 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.472 -13.742 -8.280 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.319 -12.505 -7.372 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.892 -11.306 -9.406 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.874 -12.355 -10.373 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.043 -13.216 -10.714 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.346 -14.306 -9.532 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.609 -13.408 -7.754 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.894 -11.892 -8.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.877 -13.258 -8.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.344 -13.053 -10.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.067 -14.522 -9.343 1.00 0.00 H new ATOM 908 N HIS A 59 -12.043 -9.839 -6.984 1.00 0.00 N ATOM 909 CA HIS A 59 -12.355 -8.419 -6.866 1.00 0.00 C ATOM 910 C HIS A 59 -11.100 -7.612 -6.548 1.00 0.00 C ATOM 911 O HIS A 59 -11.127 -6.380 -6.539 1.00 0.00 O ATOM 912 CB HIS A 59 -13.409 -8.194 -5.782 1.00 0.00 C ATOM 913 CG HIS A 59 -14.761 -8.729 -6.141 1.00 0.00 C ATOM 914 ND1 HIS A 59 -15.422 -8.386 -7.302 1.00 0.00 N ATOM 915 CD2 HIS A 59 -15.576 -9.588 -5.486 1.00 0.00 C ATOM 916 CE1 HIS A 59 -16.586 -9.010 -7.344 1.00 0.00 C ATOM 917 NE2 HIS A 59 -16.704 -9.746 -6.254 1.00 0.00 N ATOM 0 H HIS A 59 -12.102 -10.358 -6.108 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.752 -8.079 -7.823 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.074 -8.666 -4.858 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.491 -7.125 -5.583 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.377 -10.061 -4.536 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -17.317 -8.931 -8.135 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -17.503 -10.336 -6.020 1.00 0.00 H new ATOM 926 N LEU A 60 -10.003 -8.313 -6.285 1.00 0.00 N ATOM 927 CA LEU A 60 -8.737 -7.662 -5.965 1.00 0.00 C ATOM 928 C LEU A 60 -7.559 -8.466 -6.504 1.00 0.00 C ATOM 929 O LEU A 60 -7.612 -9.694 -6.569 1.00 0.00 O ATOM 930 CB LEU A 60 -8.600 -7.486 -4.452 1.00 0.00 C ATOM 931 CG LEU A 60 -7.266 -6.924 -3.959 1.00 0.00 C ATOM 932 CD1 LEU A 60 -7.339 -5.410 -3.835 1.00 0.00 C ATOM 933 CD2 LEU A 60 -6.881 -7.552 -2.628 1.00 0.00 C ATOM 0 H LEU A 60 -9.964 -9.332 -6.287 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.731 -6.681 -6.441 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.398 -6.827 -4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.761 -8.454 -3.978 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.497 -7.172 -4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.381 -5.027 -3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.568 -4.976 -4.808 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.121 -5.140 -3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.929 -7.140 -2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.651 -7.336 -1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.787 -8.631 -2.749 1.00 0.00 H new ATOM 945 N GLN A 61 -6.496 -7.765 -6.888 1.00 0.00 N ATOM 946 CA GLN A 61 -5.305 -8.416 -7.420 1.00 0.00 C ATOM 947 C GLN A 61 -4.049 -7.627 -7.062 1.00 0.00 C ATOM 948 O GLN A 61 -3.945 -6.436 -7.361 1.00 0.00 O ATOM 949 CB GLN A 61 -5.413 -8.563 -8.938 1.00 0.00 C ATOM 950 CG GLN A 61 -6.521 -9.506 -9.380 1.00 0.00 C ATOM 951 CD GLN A 61 -6.118 -10.965 -9.285 1.00 0.00 C ATOM 952 OE1 GLN A 61 -5.817 -11.604 -10.294 1.00 0.00 O ATOM 953 NE2 GLN A 61 -6.108 -11.499 -8.070 1.00 0.00 N ATOM 0 H GLN A 61 -6.436 -6.748 -6.840 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.231 -9.406 -6.971 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.586 -7.581 -9.379 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.462 -8.925 -9.328 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.404 -9.336 -8.765 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.800 -9.276 -10.408 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.365 -10.932 -7.262 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -5.844 -12.476 -7.945 1.00 0.00 H new ATOM 962 N LEU A 62 -3.098 -8.297 -6.421 1.00 0.00 N ATOM 963 CA LEU A 62 -1.848 -7.659 -6.022 1.00 0.00 C ATOM 964 C LEU A 62 -0.775 -7.849 -7.089 1.00 0.00 C ATOM 965 O LEU A 62 -0.778 -8.841 -7.819 1.00 0.00 O ATOM 966 CB LEU A 62 -1.364 -8.230 -4.688 1.00 0.00 C ATOM 967 CG LEU A 62 -2.424 -8.373 -3.595 1.00 0.00 C ATOM 968 CD1 LEU A 62 -1.824 -9.008 -2.350 1.00 0.00 C ATOM 969 CD2 LEU A 62 -3.035 -7.019 -3.265 1.00 0.00 C ATOM 0 H LEU A 62 -3.168 -9.282 -6.166 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.034 -6.591 -5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.927 -9.211 -4.873 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.565 -7.591 -4.311 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.215 -9.025 -3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.593 -9.102 -1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.435 -9.996 -2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.014 -8.382 -1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.787 -7.140 -2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.255 -6.343 -2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.501 -6.603 -4.158 1.00 0.00 H new ATOM 981 N LYS A 63 0.144 -6.893 -7.173 1.00 0.00 N ATOM 982 CA LYS A 63 1.227 -6.956 -8.148 1.00 0.00 C ATOM 983 C LYS A 63 2.578 -6.740 -7.475 1.00 0.00 C ATOM 984 O LYS A 63 2.666 -6.086 -6.436 1.00 0.00 O ATOM 985 CB LYS A 63 1.016 -5.907 -9.242 1.00 0.00 C ATOM 986 CG LYS A 63 1.463 -6.366 -10.619 1.00 0.00 C ATOM 987 CD LYS A 63 1.098 -5.353 -11.691 1.00 0.00 C ATOM 988 CE LYS A 63 1.960 -5.520 -12.933 1.00 0.00 C ATOM 989 NZ LYS A 63 2.034 -4.264 -13.730 1.00 0.00 N ATOM 0 H LYS A 63 0.161 -6.065 -6.578 1.00 0.00 H new ATOM 0 HA LYS A 63 1.221 -7.949 -8.598 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.041 -5.643 -9.282 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.561 -5.001 -8.975 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.542 -6.524 -10.618 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.001 -7.325 -10.851 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.047 -5.467 -11.958 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.219 -4.344 -11.296 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.965 -5.824 -12.639 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.554 -6.320 -13.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.630 -4.419 -14.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.078 -3.988 -14.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.445 -3.507 -13.148 1.00 0.00 H new ATOM 1003 N GLU A 64 3.628 -7.292 -8.075 1.00 0.00 N ATOM 1004 CA GLU A 64 4.975 -7.158 -7.532 1.00 0.00 C ATOM 1005 C GLU A 64 6.020 -7.253 -8.640 1.00 0.00 C ATOM 1006 O GLU A 64 5.966 -8.146 -9.486 1.00 0.00 O ATOM 1007 CB GLU A 64 5.234 -8.236 -6.478 1.00 0.00 C ATOM 1008 CG GLU A 64 6.704 -8.576 -6.303 1.00 0.00 C ATOM 1009 CD GLU A 64 7.181 -9.626 -7.288 1.00 0.00 C ATOM 1010 OE1 GLU A 64 6.530 -10.687 -7.387 1.00 0.00 O ATOM 1011 OE2 GLU A 64 8.207 -9.386 -7.960 1.00 0.00 O ATOM 0 H GLU A 64 3.572 -7.836 -8.936 1.00 0.00 H new ATOM 0 HA GLU A 64 5.054 -6.177 -7.064 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.831 -7.902 -5.522 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.691 -9.140 -6.754 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.299 -7.671 -6.425 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.872 -8.933 -5.287 1.00 0.00 H new ATOM 1018 N THR A 65 6.972 -6.324 -8.630 1.00 0.00 N ATOM 1019 CA THR A 65 8.028 -6.301 -9.633 1.00 0.00 C ATOM 1020 C THR A 65 9.324 -5.744 -9.055 1.00 0.00 C ATOM 1021 O THR A 65 9.305 -4.958 -8.107 1.00 0.00 O ATOM 1022 CB THR A 65 7.622 -5.459 -10.857 1.00 0.00 C ATOM 1023 OG1 THR A 65 8.518 -5.711 -11.945 1.00 0.00 O ATOM 1024 CG2 THR A 65 7.631 -3.975 -10.520 1.00 0.00 C ATOM 0 H THR A 65 7.032 -5.578 -7.937 1.00 0.00 H new ATOM 0 HA THR A 65 8.187 -7.333 -9.947 1.00 0.00 H new ATOM 0 HB THR A 65 6.611 -5.744 -11.147 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.252 -5.173 -12.720 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.341 -3.400 -11.400 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.926 -3.781 -9.711 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.632 -3.679 -10.207 1.00 0.00 H new ATOM 1032 N PHE A 66 10.449 -6.156 -9.630 1.00 0.00 N ATOM 1033 CA PHE A 66 11.755 -5.698 -9.171 1.00 0.00 C ATOM 1034 C PHE A 66 12.539 -5.059 -10.313 1.00 0.00 C ATOM 1035 O PHE A 66 12.428 -5.476 -11.465 1.00 0.00 O ATOM 1036 CB PHE A 66 12.550 -6.865 -8.582 1.00 0.00 C ATOM 1037 CG PHE A 66 13.969 -6.512 -8.242 1.00 0.00 C ATOM 1038 CD1 PHE A 66 14.247 -5.524 -7.312 1.00 0.00 C ATOM 1039 CD2 PHE A 66 15.026 -7.169 -8.852 1.00 0.00 C ATOM 1040 CE1 PHE A 66 15.553 -5.197 -6.996 1.00 0.00 C ATOM 1041 CE2 PHE A 66 16.333 -6.847 -8.540 1.00 0.00 C ATOM 1042 CZ PHE A 66 16.597 -5.859 -7.612 1.00 0.00 C ATOM 0 H PHE A 66 10.482 -6.806 -10.415 1.00 0.00 H new ATOM 0 HA PHE A 66 11.598 -4.947 -8.397 1.00 0.00 H new ATOM 0 HB2 PHE A 66 12.047 -7.220 -7.683 1.00 0.00 H new ATOM 0 HB3 PHE A 66 12.550 -7.690 -9.294 1.00 0.00 H new ATOM 0 HD1 PHE A 66 13.434 -5.003 -6.828 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.826 -7.942 -9.580 1.00 0.00 H new ATOM 0 HE1 PHE A 66 15.756 -4.425 -6.269 1.00 0.00 H new ATOM 0 HE2 PHE A 66 17.148 -7.368 -9.022 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.618 -5.604 -7.368 1.00 0.00 H new ATOM 1052 N GLU A 67 13.331 -4.044 -9.983 1.00 0.00 N ATOM 1053 CA GLU A 67 14.133 -3.346 -10.981 1.00 0.00 C ATOM 1054 C GLU A 67 15.585 -3.228 -10.527 1.00 0.00 C ATOM 1055 O GLU A 67 15.958 -2.273 -9.844 1.00 0.00 O ATOM 1056 CB GLU A 67 13.556 -1.954 -11.249 1.00 0.00 C ATOM 1057 CG GLU A 67 12.534 -1.924 -12.372 1.00 0.00 C ATOM 1058 CD GLU A 67 11.818 -0.592 -12.475 1.00 0.00 C ATOM 1059 OE1 GLU A 67 12.433 0.374 -12.973 1.00 0.00 O ATOM 1060 OE2 GLU A 67 10.644 -0.514 -12.057 1.00 0.00 O ATOM 0 H GLU A 67 13.435 -3.687 -9.033 1.00 0.00 H new ATOM 0 HA GLU A 67 14.105 -3.927 -11.903 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.091 -1.581 -10.336 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.371 -1.273 -11.493 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.033 -2.138 -13.317 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.801 -2.715 -12.212 1.00 0.00 H new ATOM 1067 N ARG A 68 16.400 -4.205 -10.910 1.00 0.00 N ATOM 1068 CA ARG A 68 17.811 -4.212 -10.542 1.00 0.00 C ATOM 1069 C ARG A 68 18.527 -2.989 -11.107 1.00 0.00 C ATOM 1070 O ARG A 68 19.461 -2.467 -10.497 1.00 0.00 O ATOM 1071 CB ARG A 68 18.485 -5.490 -11.046 1.00 0.00 C ATOM 1072 CG ARG A 68 17.870 -6.039 -12.323 1.00 0.00 C ATOM 1073 CD ARG A 68 16.771 -7.047 -12.023 1.00 0.00 C ATOM 1074 NE ARG A 68 17.286 -8.411 -11.945 1.00 0.00 N ATOM 1075 CZ ARG A 68 17.641 -9.125 -13.008 1.00 0.00 C ATOM 1076 NH1 ARG A 68 17.538 -8.606 -14.223 1.00 0.00 N ATOM 1077 NH2 ARG A 68 18.101 -10.360 -12.855 1.00 0.00 N ATOM 0 H ARG A 68 16.108 -5.002 -11.475 1.00 0.00 H new ATOM 0 HA ARG A 68 17.877 -4.179 -9.455 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.542 -5.289 -11.219 1.00 0.00 H new ATOM 0 HB3 ARG A 68 18.428 -6.252 -10.268 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.462 -5.219 -12.913 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.644 -6.512 -12.927 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.288 -6.787 -11.081 1.00 0.00 H new ATOM 0 HD3 ARG A 68 16.007 -6.992 -12.798 1.00 0.00 H new ATOM 0 HE ARG A 68 17.378 -8.839 -11.024 1.00 0.00 H new ATOM 0 HH11 ARG A 68 17.186 -7.656 -14.344 1.00 0.00 H new ATOM 0 HH12 ARG A 68 17.811 -9.156 -15.037 1.00 0.00 H new ATOM 0 HH21 ARG A 68 18.182 -10.762 -11.921 1.00 0.00 H new ATOM 0 HH22 ARG A 68 18.373 -10.908 -13.671 1.00 0.00 H new ATOM 1091 N HIS A 69 18.083 -2.538 -12.276 1.00 0.00 N ATOM 1092 CA HIS A 69 18.682 -1.376 -12.923 1.00 0.00 C ATOM 1093 C HIS A 69 18.921 -0.255 -11.916 1.00 0.00 C ATOM 1094 O HIS A 69 19.944 0.427 -11.963 1.00 0.00 O ATOM 1095 CB HIS A 69 17.783 -0.877 -14.055 1.00 0.00 C ATOM 1096 CG HIS A 69 17.255 -1.973 -14.928 1.00 0.00 C ATOM 1097 ND1 HIS A 69 16.088 -2.655 -14.657 1.00 0.00 N ATOM 1098 CD2 HIS A 69 17.742 -2.503 -16.075 1.00 0.00 C ATOM 1099 CE1 HIS A 69 15.880 -3.559 -15.598 1.00 0.00 C ATOM 1100 NE2 HIS A 69 16.869 -3.487 -16.471 1.00 0.00 N ATOM 0 H HIS A 69 17.312 -2.959 -12.794 1.00 0.00 H new ATOM 0 HA HIS A 69 19.644 -1.678 -13.338 1.00 0.00 H new ATOM 0 HB2 HIS A 69 16.944 -0.329 -13.627 1.00 0.00 H new ATOM 0 HB3 HIS A 69 18.344 -0.173 -14.669 1.00 0.00 H new ATOM 0 HD2 HIS A 69 18.648 -2.207 -16.584 1.00 0.00 H new ATOM 0 HE1 HIS A 69 15.044 -4.241 -15.645 1.00 0.00 H new ATOM 0 HE2 HIS A 69 16.968 -4.068 -17.304 1.00 0.00 H new ATOM 1109 N SER A 70 17.969 -0.071 -11.006 1.00 0.00 N ATOM 1110 CA SER A 70 18.074 0.970 -9.990 1.00 0.00 C ATOM 1111 C SER A 70 18.008 0.369 -8.589 1.00 0.00 C ATOM 1112 O SER A 70 17.961 1.093 -7.593 1.00 0.00 O ATOM 1113 CB SER A 70 16.959 2.001 -10.169 1.00 0.00 C ATOM 1114 OG SER A 70 17.374 3.283 -9.731 1.00 0.00 O ATOM 0 H SER A 70 17.117 -0.629 -10.952 1.00 0.00 H new ATOM 0 HA SER A 70 19.038 1.465 -10.109 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.668 2.048 -11.218 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.078 1.689 -9.608 1.00 0.00 H new ATOM 0 HG SER A 70 16.644 3.924 -9.858 1.00 0.00 H new ATOM 1120 N ARG A 71 18.005 -0.958 -8.520 1.00 0.00 N ATOM 1121 CA ARG A 71 17.943 -1.656 -7.241 1.00 0.00 C ATOM 1122 C ARG A 71 16.763 -1.162 -6.409 1.00 0.00 C ATOM 1123 O ARG A 71 16.920 -0.807 -5.240 1.00 0.00 O ATOM 1124 CB ARG A 71 19.246 -1.460 -6.466 1.00 0.00 C ATOM 1125 CG ARG A 71 20.351 -2.420 -6.878 1.00 0.00 C ATOM 1126 CD ARG A 71 21.272 -2.743 -5.712 1.00 0.00 C ATOM 1127 NE ARG A 71 22.237 -1.675 -5.466 1.00 0.00 N ATOM 1128 CZ ARG A 71 23.368 -1.848 -4.791 1.00 0.00 C ATOM 1129 NH1 ARG A 71 23.675 -3.040 -4.298 1.00 0.00 N ATOM 1130 NH2 ARG A 71 24.196 -0.827 -4.608 1.00 0.00 N ATOM 0 H ARG A 71 18.045 -1.571 -9.334 1.00 0.00 H new ATOM 0 HA ARG A 71 17.804 -2.718 -7.441 1.00 0.00 H new ATOM 0 HB2 ARG A 71 19.593 -0.437 -6.609 1.00 0.00 H new ATOM 0 HB3 ARG A 71 19.048 -1.583 -5.401 1.00 0.00 H new ATOM 0 HG2 ARG A 71 19.911 -3.341 -7.261 1.00 0.00 H new ATOM 0 HG3 ARG A 71 20.931 -1.982 -7.690 1.00 0.00 H new ATOM 0 HD2 ARG A 71 20.676 -2.907 -4.814 1.00 0.00 H new ATOM 0 HD3 ARG A 71 21.804 -3.672 -5.916 1.00 0.00 H new ATOM 0 HE ARG A 71 22.031 -0.746 -5.832 1.00 0.00 H new ATOM 0 HH11 ARG A 71 23.042 -3.828 -4.437 1.00 0.00 H new ATOM 0 HH12 ARG A 71 24.544 -3.169 -3.780 1.00 0.00 H new ATOM 0 HH21 ARG A 71 23.964 0.092 -4.986 1.00 0.00 H new ATOM 0 HH22 ARG A 71 25.064 -0.961 -4.090 1.00 0.00 H new ATOM 1144 N VAL A 72 15.582 -1.142 -7.018 1.00 0.00 N ATOM 1145 CA VAL A 72 14.376 -0.692 -6.333 1.00 0.00 C ATOM 1146 C VAL A 72 13.180 -1.563 -6.699 1.00 0.00 C ATOM 1147 O VAL A 72 12.912 -1.806 -7.876 1.00 0.00 O ATOM 1148 CB VAL A 72 14.052 0.775 -6.672 1.00 0.00 C ATOM 1149 CG1 VAL A 72 12.698 1.168 -6.102 1.00 0.00 C ATOM 1150 CG2 VAL A 72 15.147 1.695 -6.154 1.00 0.00 C ATOM 0 H VAL A 72 15.434 -1.432 -7.985 1.00 0.00 H new ATOM 0 HA VAL A 72 14.569 -0.775 -5.263 1.00 0.00 H new ATOM 0 HB VAL A 72 14.006 0.878 -7.756 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.486 2.208 -6.351 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.925 0.528 -6.527 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.711 1.050 -5.018 1.00 0.00 H new ATOM 0 HG21 VAL A 72 14.902 2.728 -6.402 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.228 1.591 -5.072 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.097 1.426 -6.616 1.00 0.00 H new ATOM 1160 N TYR A 73 12.463 -2.031 -5.683 1.00 0.00 N ATOM 1161 CA TYR A 73 11.295 -2.877 -5.897 1.00 0.00 C ATOM 1162 C TYR A 73 10.030 -2.035 -6.033 1.00 0.00 C ATOM 1163 O TYR A 73 9.883 -1.002 -5.379 1.00 0.00 O ATOM 1164 CB TYR A 73 11.140 -3.869 -4.744 1.00 0.00 C ATOM 1165 CG TYR A 73 12.176 -4.971 -4.749 1.00 0.00 C ATOM 1166 CD1 TYR A 73 13.481 -4.725 -4.342 1.00 0.00 C ATOM 1167 CD2 TYR A 73 11.848 -6.257 -5.160 1.00 0.00 C ATOM 1168 CE1 TYR A 73 14.431 -5.728 -4.345 1.00 0.00 C ATOM 1169 CE2 TYR A 73 12.791 -7.267 -5.165 1.00 0.00 C ATOM 1170 CZ TYR A 73 14.081 -6.997 -4.758 1.00 0.00 C ATOM 1171 OH TYR A 73 15.024 -8.000 -4.762 1.00 0.00 O ATOM 0 H TYR A 73 12.670 -1.839 -4.703 1.00 0.00 H new ATOM 0 HA TYR A 73 11.443 -3.429 -6.825 1.00 0.00 H new ATOM 0 HB2 TYR A 73 11.202 -3.328 -3.800 1.00 0.00 H new ATOM 0 HB3 TYR A 73 10.147 -4.315 -4.791 1.00 0.00 H new ATOM 0 HD1 TYR A 73 13.758 -3.733 -4.018 1.00 0.00 H new ATOM 0 HD2 TYR A 73 10.839 -6.471 -5.481 1.00 0.00 H new ATOM 0 HE1 TYR A 73 15.442 -5.520 -4.026 1.00 0.00 H new ATOM 0 HE2 TYR A 73 12.520 -8.262 -5.486 1.00 0.00 H new ATOM 0 HH TYR A 73 14.975 -8.499 -3.920 1.00 0.00 H new ATOM 1181 N THR A 74 9.116 -2.486 -6.886 1.00 0.00 N ATOM 1182 CA THR A 74 7.863 -1.776 -7.109 1.00 0.00 C ATOM 1183 C THR A 74 6.666 -2.701 -6.922 1.00 0.00 C ATOM 1184 O THR A 74 6.413 -3.580 -7.746 1.00 0.00 O ATOM 1185 CB THR A 74 7.808 -1.163 -8.522 1.00 0.00 C ATOM 1186 OG1 THR A 74 8.907 -0.265 -8.709 1.00 0.00 O ATOM 1187 CG2 THR A 74 6.497 -0.421 -8.739 1.00 0.00 C ATOM 0 H THR A 74 9.220 -3.340 -7.434 1.00 0.00 H new ATOM 0 HA THR A 74 7.818 -0.975 -6.371 1.00 0.00 H new ATOM 0 HB THR A 74 7.873 -1.973 -9.249 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.866 0.119 -9.610 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.481 0.003 -9.743 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.663 -1.114 -8.624 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.406 0.380 -8.005 1.00 0.00 H new ATOM 1195 N PHE A 75 5.930 -2.496 -5.835 1.00 0.00 N ATOM 1196 CA PHE A 75 4.758 -3.313 -5.539 1.00 0.00 C ATOM 1197 C PHE A 75 3.474 -2.516 -5.748 1.00 0.00 C ATOM 1198 O PHE A 75 3.307 -1.432 -5.190 1.00 0.00 O ATOM 1199 CB PHE A 75 4.822 -3.833 -4.102 1.00 0.00 C ATOM 1200 CG PHE A 75 6.108 -4.537 -3.776 1.00 0.00 C ATOM 1201 CD1 PHE A 75 6.424 -5.744 -4.379 1.00 0.00 C ATOM 1202 CD2 PHE A 75 7.000 -3.993 -2.866 1.00 0.00 C ATOM 1203 CE1 PHE A 75 7.607 -6.395 -4.081 1.00 0.00 C ATOM 1204 CE2 PHE A 75 8.184 -4.639 -2.565 1.00 0.00 C ATOM 1205 CZ PHE A 75 8.487 -5.842 -3.172 1.00 0.00 C ATOM 0 H PHE A 75 6.124 -1.771 -5.144 1.00 0.00 H new ATOM 0 HA PHE A 75 4.754 -4.161 -6.224 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.691 -2.997 -3.415 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.990 -4.517 -3.934 1.00 0.00 H new ATOM 0 HD1 PHE A 75 5.738 -6.181 -5.090 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.767 -3.054 -2.387 1.00 0.00 H new ATOM 0 HE1 PHE A 75 7.842 -7.335 -4.559 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.872 -4.203 -1.856 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.411 -6.349 -2.936 1.00 0.00 H new ATOM 1215 N GLU A 76 2.569 -3.063 -6.554 1.00 0.00 N ATOM 1216 CA GLU A 76 1.300 -2.403 -6.837 1.00 0.00 C ATOM 1217 C GLU A 76 0.131 -3.213 -6.285 1.00 0.00 C ATOM 1218 O GLU A 76 0.295 -4.364 -5.882 1.00 0.00 O ATOM 1219 CB GLU A 76 1.130 -2.202 -8.344 1.00 0.00 C ATOM 1220 CG GLU A 76 2.340 -1.576 -9.016 1.00 0.00 C ATOM 1221 CD GLU A 76 2.418 -1.898 -10.496 1.00 0.00 C ATOM 1222 OE1 GLU A 76 1.382 -1.782 -11.184 1.00 0.00 O ATOM 1223 OE2 GLU A 76 3.515 -2.264 -10.966 1.00 0.00 O ATOM 0 H GLU A 76 2.691 -3.961 -7.022 1.00 0.00 H new ATOM 0 HA GLU A 76 1.308 -1.430 -6.347 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.925 -3.166 -8.809 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.259 -1.571 -8.522 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.305 -0.495 -8.885 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.247 -1.927 -8.523 1.00 0.00 H new ATOM 1230 N MET A 77 -1.049 -2.601 -6.270 1.00 0.00 N ATOM 1231 CA MET A 77 -2.247 -3.265 -5.768 1.00 0.00 C ATOM 1232 C MET A 77 -3.462 -2.912 -6.619 1.00 0.00 C ATOM 1233 O MET A 77 -3.993 -1.806 -6.529 1.00 0.00 O ATOM 1234 CB MET A 77 -2.500 -2.874 -4.310 1.00 0.00 C ATOM 1235 CG MET A 77 -3.652 -3.630 -3.670 1.00 0.00 C ATOM 1236 SD MET A 77 -5.204 -2.714 -3.733 1.00 0.00 S ATOM 1237 CE MET A 77 -5.093 -1.756 -2.223 1.00 0.00 C ATOM 0 H MET A 77 -1.201 -1.648 -6.599 1.00 0.00 H new ATOM 0 HA MET A 77 -2.086 -4.342 -5.826 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.593 -3.052 -3.732 1.00 0.00 H new ATOM 0 HB3 MET A 77 -2.705 -1.805 -4.259 1.00 0.00 H new ATOM 0 HG2 MET A 77 -3.779 -4.587 -4.176 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.405 -3.849 -2.631 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.919 -1.047 -2.181 1.00 0.00 H new ATOM 0 HE2 MET A 77 -5.144 -2.424 -1.363 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.148 -1.213 -2.205 1.00 0.00 H new ATOM 1247 N GLN A 78 -3.896 -3.859 -7.445 1.00 0.00 N ATOM 1248 CA GLN A 78 -5.047 -3.646 -8.313 1.00 0.00 C ATOM 1249 C GLN A 78 -6.346 -3.981 -7.587 1.00 0.00 C ATOM 1250 O GLN A 78 -6.426 -4.976 -6.866 1.00 0.00 O ATOM 1251 CB GLN A 78 -4.923 -4.495 -9.579 1.00 0.00 C ATOM 1252 CG GLN A 78 -5.399 -3.786 -10.837 1.00 0.00 C ATOM 1253 CD GLN A 78 -5.179 -4.611 -12.090 1.00 0.00 C ATOM 1254 OE1 GLN A 78 -6.103 -4.827 -12.875 1.00 0.00 O ATOM 1255 NE2 GLN A 78 -3.951 -5.077 -12.285 1.00 0.00 N ATOM 0 H GLN A 78 -3.468 -4.781 -7.531 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.069 -2.593 -8.592 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.881 -4.788 -9.709 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.498 -5.412 -9.449 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.460 -3.555 -10.740 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.874 -2.836 -10.935 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.215 -4.874 -11.609 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.744 -5.638 -13.111 1.00 0.00 H new ATOM 1264 N ILE A 79 -7.360 -3.145 -7.782 1.00 0.00 N ATOM 1265 CA ILE A 79 -8.655 -3.354 -7.146 1.00 0.00 C ATOM 1266 C ILE A 79 -9.777 -3.373 -8.177 1.00 0.00 C ATOM 1267 O ILE A 79 -10.199 -2.326 -8.670 1.00 0.00 O ATOM 1268 CB ILE A 79 -8.951 -2.262 -6.101 1.00 0.00 C ATOM 1269 CG1 ILE A 79 -7.872 -2.257 -5.016 1.00 0.00 C ATOM 1270 CG2 ILE A 79 -10.327 -2.476 -5.487 1.00 0.00 C ATOM 1271 CD1 ILE A 79 -8.372 -1.782 -3.669 1.00 0.00 C ATOM 0 H ILE A 79 -7.310 -2.317 -8.375 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.609 -4.321 -6.646 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.943 -1.292 -6.598 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.469 -3.264 -4.911 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.050 -1.617 -5.336 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.522 -1.697 -4.750 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.085 -2.434 -6.269 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -10.361 -3.451 -5.001 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.554 -1.805 -2.949 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.748 -0.763 -3.759 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.174 -2.436 -3.327 1.00 0.00 H new ATOM 1283 N ILE A 80 -10.259 -4.569 -8.498 1.00 0.00 N ATOM 1284 CA ILE A 80 -11.335 -4.723 -9.469 1.00 0.00 C ATOM 1285 C ILE A 80 -12.698 -4.702 -8.786 1.00 0.00 C ATOM 1286 O ILE A 80 -12.897 -5.337 -7.750 1.00 0.00 O ATOM 1287 CB ILE A 80 -11.192 -6.035 -10.264 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -9.714 -6.365 -10.484 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -11.920 -5.929 -11.595 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -9.136 -7.281 -9.428 1.00 0.00 C ATOM 0 H ILE A 80 -9.921 -5.445 -8.100 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.263 -3.881 -10.157 1.00 0.00 H new ATOM 0 HB ILE A 80 -11.643 -6.843 -9.688 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.596 -6.831 -11.462 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.142 -5.438 -10.502 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.810 -6.863 -12.145 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -12.978 -5.735 -11.417 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -11.495 -5.112 -12.178 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.086 -7.472 -9.647 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.222 -6.808 -8.450 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.683 -8.224 -9.425 1.00 0.00 H new ATOM 1302 N LYS A 81 -13.637 -3.968 -9.375 1.00 0.00 N ATOM 1303 CA LYS A 81 -14.984 -3.866 -8.827 1.00 0.00 C ATOM 1304 C LYS A 81 -14.950 -3.344 -7.394 1.00 0.00 C ATOM 1305 O LYS A 81 -15.588 -3.905 -6.503 1.00 0.00 O ATOM 1306 CB LYS A 81 -15.679 -5.228 -8.868 1.00 0.00 C ATOM 1307 CG LYS A 81 -15.643 -5.888 -10.235 1.00 0.00 C ATOM 1308 CD LYS A 81 -16.772 -6.892 -10.400 1.00 0.00 C ATOM 1309 CE LYS A 81 -16.404 -7.989 -11.387 1.00 0.00 C ATOM 1310 NZ LYS A 81 -17.475 -9.017 -11.499 1.00 0.00 N ATOM 0 H LYS A 81 -13.489 -3.435 -10.232 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.545 -3.160 -9.439 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.207 -5.890 -8.142 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -16.717 -5.106 -8.560 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.717 -5.125 -11.010 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.685 -6.390 -10.372 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -17.009 -7.336 -9.433 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -17.670 -6.378 -10.744 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.219 -7.549 -12.367 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.476 -8.465 -11.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -17.186 -9.747 -12.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -17.634 -9.455 -10.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -18.355 -8.568 -11.825 1.00 0.00 H new ATOM 1324 N ALA A 82 -14.203 -2.265 -7.179 1.00 0.00 N ATOM 1325 CA ALA A 82 -14.089 -1.666 -5.855 1.00 0.00 C ATOM 1326 C ALA A 82 -15.465 -1.395 -5.256 1.00 0.00 C ATOM 1327 O ALA A 82 -16.253 -0.626 -5.806 1.00 0.00 O ATOM 1328 CB ALA A 82 -13.279 -0.380 -5.926 1.00 0.00 C ATOM 0 H ALA A 82 -13.668 -1.788 -7.905 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.572 -2.373 -5.206 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.202 0.057 -4.930 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.281 -0.599 -6.305 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.774 0.325 -6.594 1.00 0.00 H new ATOM 1334 N LYS A 83 -15.747 -2.031 -4.124 1.00 0.00 N ATOM 1335 CA LYS A 83 -17.028 -1.859 -3.448 1.00 0.00 C ATOM 1336 C LYS A 83 -16.934 -0.782 -2.372 1.00 0.00 C ATOM 1337 O LYS A 83 -15.840 -0.386 -1.970 1.00 0.00 O ATOM 1338 CB LYS A 83 -17.480 -3.181 -2.823 1.00 0.00 C ATOM 1339 CG LYS A 83 -17.170 -4.396 -3.680 1.00 0.00 C ATOM 1340 CD LYS A 83 -17.310 -5.686 -2.890 1.00 0.00 C ATOM 1341 CE LYS A 83 -16.935 -6.897 -3.729 1.00 0.00 C ATOM 1342 NZ LYS A 83 -17.975 -7.210 -4.748 1.00 0.00 N ATOM 0 H LYS A 83 -15.106 -2.671 -3.655 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.763 -1.545 -4.189 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -16.997 -3.298 -1.853 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -18.554 -3.139 -2.642 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.843 -4.419 -4.537 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.156 -4.317 -4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -16.674 -5.643 -2.006 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -18.337 -5.789 -2.539 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -15.983 -6.713 -4.227 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -16.793 -7.760 -3.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -17.778 -8.140 -5.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -18.911 -7.227 -4.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -17.963 -6.482 -5.491 1.00 0.00 H new ATOM 1356 N ASP A 84 -18.088 -0.313 -1.909 1.00 0.00 N ATOM 1357 CA ASP A 84 -18.135 0.717 -0.877 1.00 0.00 C ATOM 1358 C ASP A 84 -17.300 0.312 0.333 1.00 0.00 C ATOM 1359 O ASP A 84 -16.757 1.163 1.037 1.00 0.00 O ATOM 1360 CB ASP A 84 -19.581 0.975 -0.451 1.00 0.00 C ATOM 1361 CG ASP A 84 -20.016 0.082 0.695 1.00 0.00 C ATOM 1362 OD1 ASP A 84 -19.659 0.387 1.852 1.00 0.00 O ATOM 1363 OD2 ASP A 84 -20.711 -0.922 0.434 1.00 0.00 O ATOM 0 H ASP A 84 -19.003 -0.629 -2.232 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.717 1.634 -1.293 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -19.689 2.019 -0.155 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -20.242 0.815 -1.303 1.00 0.00 H new ATOM 1368 N ASN A 85 -17.202 -0.992 0.569 1.00 0.00 N ATOM 1369 CA ASN A 85 -16.434 -1.509 1.696 1.00 0.00 C ATOM 1370 C ASN A 85 -14.942 -1.265 1.495 1.00 0.00 C ATOM 1371 O ASN A 85 -14.175 -1.212 2.457 1.00 0.00 O ATOM 1372 CB ASN A 85 -16.697 -3.006 1.875 1.00 0.00 C ATOM 1373 CG ASN A 85 -18.176 -3.324 1.988 1.00 0.00 C ATOM 1374 OD1 ASN A 85 -18.879 -2.768 2.832 1.00 0.00 O ATOM 1375 ND2 ASN A 85 -18.655 -4.222 1.135 1.00 0.00 N ATOM 0 H ASN A 85 -17.645 -1.710 -0.005 1.00 0.00 H new ATOM 0 HA ASN A 85 -16.753 -0.980 2.594 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -16.275 -3.550 1.030 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -16.183 -3.358 2.769 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -19.642 -4.476 1.163 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -18.035 -4.658 0.452 1.00 0.00 H new ATOM 1382 N PHE A 86 -14.536 -1.114 0.239 1.00 0.00 N ATOM 1383 CA PHE A 86 -13.135 -0.875 -0.089 1.00 0.00 C ATOM 1384 C PHE A 86 -12.720 0.541 0.298 1.00 0.00 C ATOM 1385 O PHE A 86 -11.578 0.945 0.084 1.00 0.00 O ATOM 1386 CB PHE A 86 -12.894 -1.099 -1.584 1.00 0.00 C ATOM 1387 CG PHE A 86 -12.906 -2.547 -1.983 1.00 0.00 C ATOM 1388 CD1 PHE A 86 -13.924 -3.387 -1.560 1.00 0.00 C ATOM 1389 CD2 PHE A 86 -11.901 -3.067 -2.781 1.00 0.00 C ATOM 1390 CE1 PHE A 86 -13.936 -4.720 -1.925 1.00 0.00 C ATOM 1391 CE2 PHE A 86 -11.909 -4.400 -3.150 1.00 0.00 C ATOM 1392 CZ PHE A 86 -12.928 -5.227 -2.722 1.00 0.00 C ATOM 0 H PHE A 86 -15.157 -1.153 -0.569 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.529 -1.580 0.479 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -13.659 -0.568 -2.151 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.934 -0.663 -1.858 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -14.716 -2.996 -0.939 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -11.102 -2.424 -3.119 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -14.733 -5.365 -1.587 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -11.119 -4.793 -3.772 1.00 0.00 H new ATOM 0 HZ PHE A 86 -12.937 -6.268 -3.010 1.00 0.00 H new ATOM 1402 N ALA A 87 -13.658 1.291 0.868 1.00 0.00 N ATOM 1403 CA ALA A 87 -13.390 2.661 1.287 1.00 0.00 C ATOM 1404 C ALA A 87 -13.014 2.720 2.764 1.00 0.00 C ATOM 1405 O ALA A 87 -13.423 1.870 3.553 1.00 0.00 O ATOM 1406 CB ALA A 87 -14.599 3.543 1.013 1.00 0.00 C ATOM 0 H ALA A 87 -14.610 0.973 1.050 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.544 3.033 0.708 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -14.385 4.563 1.331 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -14.821 3.535 -0.054 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -15.459 3.164 1.566 1.00 0.00 H new ATOM 1412 N GLY A 88 -12.231 3.731 3.130 1.00 0.00 N ATOM 1413 CA GLY A 88 -11.813 3.881 4.512 1.00 0.00 C ATOM 1414 C GLY A 88 -10.335 4.194 4.639 1.00 0.00 C ATOM 1415 O GLY A 88 -9.813 5.054 3.930 1.00 0.00 O ATOM 0 H GLY A 88 -11.879 4.448 2.495 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.392 4.678 4.979 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.035 2.964 5.057 1.00 0.00 H new ATOM 1419 N ASN A 89 -9.659 3.496 5.546 1.00 0.00 N ATOM 1420 CA ASN A 89 -8.233 3.706 5.765 1.00 0.00 C ATOM 1421 C ASN A 89 -7.438 2.455 5.407 1.00 0.00 C ATOM 1422 O ASN A 89 -7.767 1.351 5.843 1.00 0.00 O ATOM 1423 CB ASN A 89 -7.971 4.090 7.223 1.00 0.00 C ATOM 1424 CG ASN A 89 -6.492 4.127 7.554 1.00 0.00 C ATOM 1425 OD1 ASN A 89 -6.015 3.376 8.405 1.00 0.00 O ATOM 1426 ND2 ASN A 89 -5.757 5.005 6.881 1.00 0.00 N ATOM 0 H ASN A 89 -10.076 2.780 6.141 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.907 4.520 5.117 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.410 5.068 7.423 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -8.470 3.377 7.879 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -4.756 5.076 7.061 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.194 5.608 6.184 1.00 0.00 H new ATOM 1433 N TYR A 90 -6.390 2.634 4.610 1.00 0.00 N ATOM 1434 CA TYR A 90 -5.548 1.520 4.191 1.00 0.00 C ATOM 1435 C TYR A 90 -4.252 1.483 4.996 1.00 0.00 C ATOM 1436 O TYR A 90 -3.941 2.417 5.735 1.00 0.00 O ATOM 1437 CB TYR A 90 -5.232 1.625 2.699 1.00 0.00 C ATOM 1438 CG TYR A 90 -6.338 1.109 1.807 1.00 0.00 C ATOM 1439 CD1 TYR A 90 -7.630 1.611 1.907 1.00 0.00 C ATOM 1440 CD2 TYR A 90 -6.092 0.119 0.864 1.00 0.00 C ATOM 1441 CE1 TYR A 90 -8.644 1.142 1.096 1.00 0.00 C ATOM 1442 CE2 TYR A 90 -7.100 -0.356 0.047 1.00 0.00 C ATOM 1443 CZ TYR A 90 -8.374 0.159 0.167 1.00 0.00 C ATOM 1444 OH TYR A 90 -9.382 -0.311 -0.645 1.00 0.00 O ATOM 0 H TYR A 90 -6.103 3.541 4.241 1.00 0.00 H new ATOM 0 HA TYR A 90 -6.095 0.595 4.375 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -5.034 2.668 2.451 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.319 1.068 2.490 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.845 2.382 2.632 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.096 -0.286 0.768 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -9.643 1.542 1.188 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -6.892 -1.126 -0.681 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.248 -0.006 -0.302 1.00 0.00 H new ATOM 1454 N ARG A 91 -3.500 0.398 4.845 1.00 0.00 N ATOM 1455 CA ARG A 91 -2.238 0.238 5.557 1.00 0.00 C ATOM 1456 C ARG A 91 -1.293 -0.682 4.789 1.00 0.00 C ATOM 1457 O ARG A 91 -1.624 -1.835 4.511 1.00 0.00 O ATOM 1458 CB ARG A 91 -2.486 -0.323 6.958 1.00 0.00 C ATOM 1459 CG ARG A 91 -1.236 -0.379 7.822 1.00 0.00 C ATOM 1460 CD ARG A 91 -1.500 -1.097 9.136 1.00 0.00 C ATOM 1461 NE ARG A 91 -0.440 -0.857 10.112 1.00 0.00 N ATOM 1462 CZ ARG A 91 -0.298 0.284 10.777 1.00 0.00 C ATOM 1463 NH1 ARG A 91 -1.143 1.285 10.571 1.00 0.00 N ATOM 1464 NH2 ARG A 91 0.692 0.426 11.649 1.00 0.00 N ATOM 0 H ARG A 91 -3.743 -0.383 4.236 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.772 1.219 5.643 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.236 0.290 7.458 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.902 -1.327 6.870 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.440 -0.890 7.280 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.885 0.633 8.023 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -2.453 -0.764 9.546 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.589 -2.168 8.953 1.00 0.00 H new ATOM 0 HE ARG A 91 0.228 -1.607 10.293 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -1.904 1.180 9.900 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.032 2.160 11.083 1.00 0.00 H new ATOM 0 HH21 ARG A 91 1.345 -0.341 11.809 1.00 0.00 H new ATOM 0 HH22 ARG A 91 0.800 1.303 12.159 1.00 0.00 H new ATOM 1478 N CYS A 92 -0.118 -0.164 4.449 1.00 0.00 N ATOM 1479 CA CYS A 92 0.874 -0.939 3.712 1.00 0.00 C ATOM 1480 C CYS A 92 2.055 -1.301 4.607 1.00 0.00 C ATOM 1481 O CYS A 92 2.668 -0.430 5.224 1.00 0.00 O ATOM 1482 CB CYS A 92 1.363 -0.153 2.494 1.00 0.00 C ATOM 1483 SG CYS A 92 2.769 -0.908 1.644 1.00 0.00 S ATOM 0 H CYS A 92 0.171 0.789 4.672 1.00 0.00 H new ATOM 0 HA CYS A 92 0.401 -1.861 3.374 1.00 0.00 H new ATOM 0 HB2 CYS A 92 0.539 -0.048 1.788 1.00 0.00 H new ATOM 0 HB3 CYS A 92 1.641 0.852 2.811 1.00 0.00 H new ATOM 0 HG CYS A 92 3.574 0.023 1.226 1.00 0.00 H new ATOM 1489 N GLU A 93 2.368 -2.591 4.673 1.00 0.00 N ATOM 1490 CA GLU A 93 3.474 -3.068 5.494 1.00 0.00 C ATOM 1491 C GLU A 93 4.568 -3.686 4.628 1.00 0.00 C ATOM 1492 O GLU A 93 4.337 -4.672 3.927 1.00 0.00 O ATOM 1493 CB GLU A 93 2.976 -4.092 6.515 1.00 0.00 C ATOM 1494 CG GLU A 93 2.456 -3.469 7.799 1.00 0.00 C ATOM 1495 CD GLU A 93 2.301 -4.480 8.918 1.00 0.00 C ATOM 1496 OE1 GLU A 93 1.218 -5.094 9.018 1.00 0.00 O ATOM 1497 OE2 GLU A 93 3.263 -4.659 9.694 1.00 0.00 O ATOM 0 H GLU A 93 1.871 -3.324 4.168 1.00 0.00 H new ATOM 0 HA GLU A 93 3.894 -2.213 6.024 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.183 -4.687 6.063 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.789 -4.776 6.757 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.138 -2.681 8.118 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.493 -2.997 7.605 1.00 0.00 H new ATOM 1504 N VAL A 94 5.760 -3.101 4.682 1.00 0.00 N ATOM 1505 CA VAL A 94 6.890 -3.593 3.904 1.00 0.00 C ATOM 1506 C VAL A 94 8.076 -3.920 4.804 1.00 0.00 C ATOM 1507 O VAL A 94 8.718 -3.025 5.354 1.00 0.00 O ATOM 1508 CB VAL A 94 7.331 -2.567 2.844 1.00 0.00 C ATOM 1509 CG1 VAL A 94 7.612 -1.219 3.490 1.00 0.00 C ATOM 1510 CG2 VAL A 94 8.553 -3.072 2.091 1.00 0.00 C ATOM 0 H VAL A 94 5.968 -2.285 5.257 1.00 0.00 H new ATOM 0 HA VAL A 94 6.557 -4.502 3.402 1.00 0.00 H new ATOM 0 HB VAL A 94 6.519 -2.437 2.128 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.922 -0.507 2.725 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.709 -0.855 3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 94 8.406 -1.328 4.228 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.851 -2.335 1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 94 9.372 -3.231 2.792 1.00 0.00 H new ATOM 0 HG23 VAL A 94 8.312 -4.012 1.595 1.00 0.00 H new ATOM 1520 N THR A 95 8.363 -5.210 4.950 1.00 0.00 N ATOM 1521 CA THR A 95 9.472 -5.657 5.784 1.00 0.00 C ATOM 1522 C THR A 95 10.672 -6.058 4.934 1.00 0.00 C ATOM 1523 O THR A 95 10.526 -6.736 3.917 1.00 0.00 O ATOM 1524 CB THR A 95 9.064 -6.848 6.671 1.00 0.00 C ATOM 1525 OG1 THR A 95 7.926 -6.499 7.468 1.00 0.00 O ATOM 1526 CG2 THR A 95 10.213 -7.269 7.575 1.00 0.00 C ATOM 0 H THR A 95 7.842 -5.964 4.501 1.00 0.00 H new ATOM 0 HA THR A 95 9.746 -4.817 6.422 1.00 0.00 H new ATOM 0 HB THR A 95 8.809 -7.685 6.021 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.011 -5.571 7.771 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.901 -8.112 8.192 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.067 -7.563 6.965 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.495 -6.435 8.217 1.00 0.00 H new ATOM 1534 N TYR A 96 11.858 -5.636 5.358 1.00 0.00 N ATOM 1535 CA TYR A 96 13.084 -5.951 4.634 1.00 0.00 C ATOM 1536 C TYR A 96 14.213 -6.298 5.599 1.00 0.00 C ATOM 1537 O TYR A 96 14.047 -6.232 6.818 1.00 0.00 O ATOM 1538 CB TYR A 96 13.498 -4.771 3.752 1.00 0.00 C ATOM 1539 CG TYR A 96 14.511 -5.135 2.690 1.00 0.00 C ATOM 1540 CD1 TYR A 96 14.425 -6.340 2.004 1.00 0.00 C ATOM 1541 CD2 TYR A 96 15.553 -4.272 2.372 1.00 0.00 C ATOM 1542 CE1 TYR A 96 15.349 -6.677 1.034 1.00 0.00 C ATOM 1543 CE2 TYR A 96 16.480 -4.600 1.402 1.00 0.00 C ATOM 1544 CZ TYR A 96 16.374 -5.803 0.736 1.00 0.00 C ATOM 1545 OH TYR A 96 17.296 -6.134 -0.231 1.00 0.00 O ATOM 0 H TYR A 96 11.997 -5.075 6.199 1.00 0.00 H new ATOM 0 HA TYR A 96 12.890 -6.818 4.003 1.00 0.00 H new ATOM 0 HB2 TYR A 96 12.611 -4.360 3.270 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.912 -3.984 4.383 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.622 -7.025 2.233 1.00 0.00 H new ATOM 0 HD2 TYR A 96 15.639 -3.329 2.892 1.00 0.00 H new ATOM 0 HE1 TYR A 96 15.269 -7.619 0.512 1.00 0.00 H new ATOM 0 HE2 TYR A 96 17.284 -3.918 1.166 1.00 0.00 H new ATOM 0 HH TYR A 96 17.628 -5.318 -0.659 1.00 0.00 H new ATOM 1555 N LYS A 97 15.363 -6.670 5.046 1.00 0.00 N ATOM 1556 CA LYS A 97 16.522 -7.026 5.855 1.00 0.00 C ATOM 1557 C LYS A 97 16.999 -5.834 6.678 1.00 0.00 C ATOM 1558 O LYS A 97 16.839 -5.805 7.898 1.00 0.00 O ATOM 1559 CB LYS A 97 17.657 -7.531 4.962 1.00 0.00 C ATOM 1560 CG LYS A 97 17.176 -8.244 3.710 1.00 0.00 C ATOM 1561 CD LYS A 97 16.109 -9.276 4.032 1.00 0.00 C ATOM 1562 CE LYS A 97 16.721 -10.568 4.552 1.00 0.00 C ATOM 1563 NZ LYS A 97 16.760 -10.604 6.040 1.00 0.00 N ATOM 0 H LYS A 97 15.517 -6.733 4.040 1.00 0.00 H new ATOM 0 HA LYS A 97 16.226 -7.821 6.539 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.282 -6.687 4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 97 18.286 -8.210 5.538 1.00 0.00 H new ATOM 0 HG2 LYS A 97 16.777 -7.514 3.005 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.019 -8.732 3.221 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.423 -8.872 4.777 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.522 -9.485 3.138 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.145 -11.417 4.183 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.732 -10.674 4.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.821 -11.591 6.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.591 -10.078 6.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.896 -10.169 6.421 1.00 0.00 H new ATOM 1577 N ASP A 98 17.585 -4.851 6.002 1.00 0.00 N ATOM 1578 CA ASP A 98 18.083 -3.655 6.670 1.00 0.00 C ATOM 1579 C ASP A 98 17.118 -3.199 7.760 1.00 0.00 C ATOM 1580 O ASP A 98 17.373 -3.388 8.949 1.00 0.00 O ATOM 1581 CB ASP A 98 18.295 -2.530 5.656 1.00 0.00 C ATOM 1582 CG ASP A 98 17.334 -2.615 4.487 1.00 0.00 C ATOM 1583 OD1 ASP A 98 16.188 -2.136 4.624 1.00 0.00 O ATOM 1584 OD2 ASP A 98 17.727 -3.160 3.434 1.00 0.00 O ATOM 0 H ASP A 98 17.726 -4.860 4.992 1.00 0.00 H new ATOM 0 HA ASP A 98 19.038 -3.900 7.135 1.00 0.00 H new ATOM 0 HB2 ASP A 98 18.172 -1.568 6.154 1.00 0.00 H new ATOM 0 HB3 ASP A 98 19.319 -2.568 5.284 1.00 0.00 H new ATOM 1589 N LYS A 99 16.009 -2.596 7.346 1.00 0.00 N ATOM 1590 CA LYS A 99 15.004 -2.113 8.286 1.00 0.00 C ATOM 1591 C LYS A 99 13.596 -2.400 7.773 1.00 0.00 C ATOM 1592 O LYS A 99 13.412 -2.780 6.617 1.00 0.00 O ATOM 1593 CB LYS A 99 15.176 -0.610 8.520 1.00 0.00 C ATOM 1594 CG LYS A 99 16.558 -0.227 9.021 1.00 0.00 C ATOM 1595 CD LYS A 99 16.696 -0.469 10.515 1.00 0.00 C ATOM 1596 CE LYS A 99 18.035 0.027 11.038 1.00 0.00 C ATOM 1597 NZ LYS A 99 18.060 0.092 12.526 1.00 0.00 N ATOM 0 H LYS A 99 15.783 -2.430 6.365 1.00 0.00 H new ATOM 0 HA LYS A 99 15.142 -2.640 9.230 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.977 -0.081 7.588 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.431 -0.276 9.242 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.313 -0.804 8.487 1.00 0.00 H new ATOM 0 HG3 LYS A 99 16.747 0.824 8.803 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.888 0.037 11.043 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.595 -1.534 10.723 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.828 -0.635 10.690 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.241 1.016 10.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.989 0.435 12.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.320 0.743 12.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.888 -0.856 12.918 1.00 0.00 H new ATOM 1611 N PHE A 100 12.606 -2.215 8.640 1.00 0.00 N ATOM 1612 CA PHE A 100 11.215 -2.454 8.274 1.00 0.00 C ATOM 1613 C PHE A 100 10.389 -1.178 8.414 1.00 0.00 C ATOM 1614 O PHE A 100 10.258 -0.628 9.508 1.00 0.00 O ATOM 1615 CB PHE A 100 10.619 -3.560 9.148 1.00 0.00 C ATOM 1616 CG PHE A 100 9.163 -3.360 9.457 1.00 0.00 C ATOM 1617 CD1 PHE A 100 8.209 -3.451 8.456 1.00 0.00 C ATOM 1618 CD2 PHE A 100 8.747 -3.079 10.749 1.00 0.00 C ATOM 1619 CE1 PHE A 100 6.868 -3.268 8.737 1.00 0.00 C ATOM 1620 CE2 PHE A 100 7.408 -2.895 11.036 1.00 0.00 C ATOM 1621 CZ PHE A 100 6.467 -2.989 10.028 1.00 0.00 C ATOM 0 H PHE A 100 12.741 -1.900 9.601 1.00 0.00 H new ATOM 0 HA PHE A 100 11.188 -2.770 7.231 1.00 0.00 H new ATOM 0 HB2 PHE A 100 10.747 -4.518 8.645 1.00 0.00 H new ATOM 0 HB3 PHE A 100 11.177 -3.614 10.083 1.00 0.00 H new ATOM 0 HD1 PHE A 100 8.517 -3.668 7.444 1.00 0.00 H new ATOM 0 HD2 PHE A 100 9.478 -3.003 11.540 1.00 0.00 H new ATOM 0 HE1 PHE A 100 6.135 -3.343 7.947 1.00 0.00 H new ATOM 0 HE2 PHE A 100 7.097 -2.678 12.047 1.00 0.00 H new ATOM 0 HZ PHE A 100 5.420 -2.844 10.250 1.00 0.00 H new ATOM 1631 N ASP A 101 9.836 -0.714 7.300 1.00 0.00 N ATOM 1632 CA ASP A 101 9.022 0.496 7.297 1.00 0.00 C ATOM 1633 C ASP A 101 7.556 0.164 7.039 1.00 0.00 C ATOM 1634 O ASP A 101 7.237 -0.867 6.448 1.00 0.00 O ATOM 1635 CB ASP A 101 9.530 1.475 6.237 1.00 0.00 C ATOM 1636 CG ASP A 101 10.570 2.433 6.785 1.00 0.00 C ATOM 1637 OD1 ASP A 101 10.325 3.024 7.857 1.00 0.00 O ATOM 1638 OD2 ASP A 101 11.629 2.592 6.141 1.00 0.00 O ATOM 0 H ASP A 101 9.936 -1.157 6.387 1.00 0.00 H new ATOM 0 HA ASP A 101 9.103 0.961 8.279 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.958 0.916 5.405 1.00 0.00 H new ATOM 0 HB3 ASP A 101 8.690 2.044 5.840 1.00 0.00 H new ATOM 1643 N SER A 102 6.667 1.046 7.487 1.00 0.00 N ATOM 1644 CA SER A 102 5.234 0.844 7.309 1.00 0.00 C ATOM 1645 C SER A 102 4.509 2.180 7.182 1.00 0.00 C ATOM 1646 O SER A 102 4.674 3.070 8.018 1.00 0.00 O ATOM 1647 CB SER A 102 4.660 0.049 8.483 1.00 0.00 C ATOM 1648 OG SER A 102 5.052 -1.311 8.418 1.00 0.00 O ATOM 0 H SER A 102 6.914 1.907 7.975 1.00 0.00 H new ATOM 0 HA SER A 102 5.083 0.279 6.389 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.001 0.484 9.422 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.572 0.118 8.476 1.00 0.00 H new ATOM 0 HG SER A 102 5.825 -1.457 9.002 1.00 0.00 H new ATOM 1654 N CYS A 103 3.707 2.314 6.131 1.00 0.00 N ATOM 1655 CA CYS A 103 2.957 3.541 5.893 1.00 0.00 C ATOM 1656 C CYS A 103 1.474 3.243 5.697 1.00 0.00 C ATOM 1657 O CYS A 103 1.072 2.084 5.597 1.00 0.00 O ATOM 1658 CB CYS A 103 3.509 4.272 4.668 1.00 0.00 C ATOM 1659 SG CYS A 103 4.883 5.389 5.032 1.00 0.00 S ATOM 0 H CYS A 103 3.560 1.587 5.430 1.00 0.00 H new ATOM 0 HA CYS A 103 3.068 4.180 6.769 1.00 0.00 H new ATOM 0 HB2 CYS A 103 3.838 3.535 3.936 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.704 4.843 4.205 1.00 0.00 H new ATOM 0 HG CYS A 103 5.282 5.958 3.934 1.00 0.00 H new ATOM 1665 N SER A 104 0.666 4.297 5.644 1.00 0.00 N ATOM 1666 CA SER A 104 -0.774 4.147 5.465 1.00 0.00 C ATOM 1667 C SER A 104 -1.325 5.241 4.555 1.00 0.00 C ATOM 1668 O SER A 104 -0.688 6.275 4.352 1.00 0.00 O ATOM 1669 CB SER A 104 -1.485 4.189 6.819 1.00 0.00 C ATOM 1670 OG SER A 104 -1.403 5.480 7.398 1.00 0.00 O ATOM 0 H SER A 104 0.983 5.263 5.722 1.00 0.00 H new ATOM 0 HA SER A 104 -0.958 3.181 4.996 1.00 0.00 H new ATOM 0 HB2 SER A 104 -2.531 3.909 6.693 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.038 3.456 7.491 1.00 0.00 H new ATOM 0 HG SER A 104 -1.866 5.481 8.262 1.00 0.00 H new ATOM 1676 N PHE A 105 -2.513 5.004 4.008 1.00 0.00 N ATOM 1677 CA PHE A 105 -3.150 5.968 3.118 1.00 0.00 C ATOM 1678 C PHE A 105 -4.667 5.939 3.283 1.00 0.00 C ATOM 1679 O PHE A 105 -5.197 5.213 4.124 1.00 0.00 O ATOM 1680 CB PHE A 105 -2.778 5.674 1.663 1.00 0.00 C ATOM 1681 CG PHE A 105 -2.829 4.214 1.314 1.00 0.00 C ATOM 1682 CD1 PHE A 105 -1.853 3.344 1.774 1.00 0.00 C ATOM 1683 CD2 PHE A 105 -3.852 3.712 0.527 1.00 0.00 C ATOM 1684 CE1 PHE A 105 -1.897 2.000 1.455 1.00 0.00 C ATOM 1685 CE2 PHE A 105 -3.901 2.369 0.205 1.00 0.00 C ATOM 1686 CZ PHE A 105 -2.922 1.512 0.669 1.00 0.00 C ATOM 0 H PHE A 105 -3.054 4.153 4.165 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.792 6.963 3.383 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.455 6.220 1.006 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.773 6.051 1.470 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -1.049 3.721 2.389 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.620 4.377 0.161 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -1.131 1.332 1.820 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.704 1.990 -0.409 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.958 0.462 0.417 1.00 0.00 H new ATOM 1696 N ASP A 106 -5.359 6.734 2.474 1.00 0.00 N ATOM 1697 CA ASP A 106 -6.814 6.800 2.528 1.00 0.00 C ATOM 1698 C ASP A 106 -7.423 6.510 1.160 1.00 0.00 C ATOM 1699 O ASP A 106 -6.926 6.979 0.135 1.00 0.00 O ATOM 1700 CB ASP A 106 -7.266 8.177 3.019 1.00 0.00 C ATOM 1701 CG ASP A 106 -6.873 9.289 2.066 1.00 0.00 C ATOM 1702 OD1 ASP A 106 -7.613 9.519 1.086 1.00 0.00 O ATOM 1703 OD2 ASP A 106 -5.827 9.929 2.300 1.00 0.00 O ATOM 0 H ASP A 106 -4.935 7.342 1.773 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.161 6.041 3.229 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.349 8.177 3.146 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.830 8.371 3.999 1.00 0.00 H new ATOM 1708 N LEU A 107 -8.501 5.734 1.150 1.00 0.00 N ATOM 1709 CA LEU A 107 -9.178 5.380 -0.093 1.00 0.00 C ATOM 1710 C LEU A 107 -10.661 5.730 -0.024 1.00 0.00 C ATOM 1711 O LEU A 107 -11.351 5.361 0.925 1.00 0.00 O ATOM 1712 CB LEU A 107 -9.007 3.887 -0.382 1.00 0.00 C ATOM 1713 CG LEU A 107 -9.396 3.428 -1.788 1.00 0.00 C ATOM 1714 CD1 LEU A 107 -10.899 3.216 -1.883 1.00 0.00 C ATOM 1715 CD2 LEU A 107 -8.931 4.437 -2.827 1.00 0.00 C ATOM 0 H LEU A 107 -8.925 5.338 1.989 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.726 5.955 -0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.964 3.621 -0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.602 3.327 0.339 1.00 0.00 H new ATOM 0 HG LEU A 107 -8.902 2.477 -1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.157 2.890 -2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -11.205 2.455 -1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.413 4.151 -1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.217 4.093 -3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.396 5.403 -2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -7.847 4.539 -2.776 1.00 0.00 H new ATOM 1727 N GLU A 108 -11.143 6.442 -1.038 1.00 0.00 N ATOM 1728 CA GLU A 108 -12.545 6.840 -1.093 1.00 0.00 C ATOM 1729 C GLU A 108 -13.278 6.098 -2.207 1.00 0.00 C ATOM 1730 O GLU A 108 -12.696 5.781 -3.245 1.00 0.00 O ATOM 1731 CB GLU A 108 -12.661 8.350 -1.307 1.00 0.00 C ATOM 1732 CG GLU A 108 -12.701 9.147 -0.015 1.00 0.00 C ATOM 1733 CD GLU A 108 -12.475 10.630 -0.237 1.00 0.00 C ATOM 1734 OE1 GLU A 108 -13.224 11.231 -1.035 1.00 0.00 O ATOM 1735 OE2 GLU A 108 -11.549 11.190 0.387 1.00 0.00 O ATOM 0 H GLU A 108 -10.584 6.755 -1.832 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.008 6.579 -0.141 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.817 8.689 -1.907 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.564 8.559 -1.881 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.666 8.999 0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.941 8.765 0.667 1.00 0.00 H new ATOM 1742 N VAL A 109 -14.560 5.825 -1.984 1.00 0.00 N ATOM 1743 CA VAL A 109 -15.374 5.121 -2.969 1.00 0.00 C ATOM 1744 C VAL A 109 -16.662 5.883 -3.261 1.00 0.00 C ATOM 1745 O VAL A 109 -17.467 6.131 -2.363 1.00 0.00 O ATOM 1746 CB VAL A 109 -15.727 3.700 -2.492 1.00 0.00 C ATOM 1747 CG1 VAL A 109 -16.401 2.915 -3.607 1.00 0.00 C ATOM 1748 CG2 VAL A 109 -14.482 2.979 -1.998 1.00 0.00 C ATOM 0 H VAL A 109 -15.057 6.080 -1.131 1.00 0.00 H new ATOM 0 HA VAL A 109 -14.781 5.053 -3.881 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.427 3.778 -1.660 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -16.643 1.913 -3.252 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -17.316 3.424 -3.909 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.727 2.844 -4.461 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -14.750 1.976 -1.665 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.756 2.910 -2.808 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -14.046 3.533 -1.167 1.00 0.00 H new ATOM 1758 N HIS A 110 -16.851 6.251 -4.525 1.00 0.00 N ATOM 1759 CA HIS A 110 -18.043 6.983 -4.937 1.00 0.00 C ATOM 1760 C HIS A 110 -19.029 6.061 -5.648 1.00 0.00 C ATOM 1761 O HIS A 110 -18.635 5.057 -6.242 1.00 0.00 O ATOM 1762 CB HIS A 110 -17.661 8.146 -5.854 1.00 0.00 C ATOM 1763 CG HIS A 110 -16.930 9.248 -5.152 1.00 0.00 C ATOM 1764 ND1 HIS A 110 -16.771 10.508 -5.690 1.00 0.00 N ATOM 1765 CD2 HIS A 110 -16.315 9.275 -3.946 1.00 0.00 C ATOM 1766 CE1 HIS A 110 -16.088 11.261 -4.846 1.00 0.00 C ATOM 1767 NE2 HIS A 110 -15.800 10.537 -3.780 1.00 0.00 N ATOM 0 H HIS A 110 -16.194 6.054 -5.280 1.00 0.00 H new ATOM 0 HA HIS A 110 -18.524 7.378 -4.042 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -17.039 7.768 -6.666 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -18.565 8.552 -6.307 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -16.243 8.456 -3.245 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -15.812 12.293 -5.002 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -15.279 10.862 -2.965 1.00 0.00 H new ATOM 1776 N GLU A 111 -20.310 6.409 -5.583 1.00 0.00 N ATOM 1777 CA GLU A 111 -21.351 5.611 -6.220 1.00 0.00 C ATOM 1778 C GLU A 111 -21.315 5.780 -7.736 1.00 0.00 C ATOM 1779 O GLU A 111 -21.376 6.898 -8.248 1.00 0.00 O ATOM 1780 CB GLU A 111 -22.728 6.007 -5.683 1.00 0.00 C ATOM 1781 CG GLU A 111 -22.942 5.640 -4.225 1.00 0.00 C ATOM 1782 CD GLU A 111 -24.396 5.353 -3.902 1.00 0.00 C ATOM 1783 OE1 GLU A 111 -25.033 4.593 -4.661 1.00 0.00 O ATOM 1784 OE2 GLU A 111 -24.895 5.889 -2.891 1.00 0.00 O ATOM 0 H GLU A 111 -20.652 7.238 -5.096 1.00 0.00 H new ATOM 0 HA GLU A 111 -21.165 4.563 -5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -22.859 7.083 -5.801 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -23.496 5.524 -6.287 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -22.340 4.764 -3.983 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -22.588 6.455 -3.594 1.00 0.00 H new ATOM 1791 N SER A 112 -21.217 4.662 -8.448 1.00 0.00 N ATOM 1792 CA SER A 112 -21.168 4.686 -9.905 1.00 0.00 C ATOM 1793 C SER A 112 -22.505 5.140 -10.486 1.00 0.00 C ATOM 1794 O SER A 112 -23.554 4.572 -10.179 1.00 0.00 O ATOM 1795 CB SER A 112 -20.808 3.302 -10.447 1.00 0.00 C ATOM 1796 OG SER A 112 -21.144 3.187 -11.819 1.00 0.00 O ATOM 0 H SER A 112 -21.170 3.728 -8.040 1.00 0.00 H new ATOM 0 HA SER A 112 -20.399 5.398 -10.206 1.00 0.00 H new ATOM 0 HB2 SER A 112 -19.741 3.123 -10.315 1.00 0.00 H new ATOM 0 HB3 SER A 112 -21.333 2.537 -9.876 1.00 0.00 H new ATOM 0 HG SER A 112 -20.902 2.294 -12.141 1.00 0.00 H new ATOM 1802 N THR A 113 -22.459 6.168 -11.326 1.00 0.00 N ATOM 1803 CA THR A 113 -23.664 6.700 -11.950 1.00 0.00 C ATOM 1804 C THR A 113 -23.323 7.557 -13.164 1.00 0.00 C ATOM 1805 O THR A 113 -22.343 8.301 -13.155 1.00 0.00 O ATOM 1806 CB THR A 113 -24.485 7.543 -10.956 1.00 0.00 C ATOM 1807 OG1 THR A 113 -23.656 8.548 -10.363 1.00 0.00 O ATOM 1808 CG2 THR A 113 -25.083 6.665 -9.867 1.00 0.00 C ATOM 0 H THR A 113 -21.600 6.650 -11.590 1.00 0.00 H new ATOM 0 HA THR A 113 -24.259 5.844 -12.269 1.00 0.00 H new ATOM 0 HB THR A 113 -25.298 8.020 -11.504 1.00 0.00 H new ATOM 0 HG1 THR A 113 -24.186 9.080 -9.734 1.00 0.00 H new ATOM 0 HG21 THR A 113 -25.658 7.282 -9.177 1.00 0.00 H new ATOM 0 HG22 THR A 113 -25.737 5.920 -10.319 1.00 0.00 H new ATOM 0 HG23 THR A 113 -24.282 6.163 -9.324 1.00 0.00 H new ATOM 1816 N GLY A 114 -24.139 7.447 -14.208 1.00 0.00 N ATOM 1817 CA GLY A 114 -23.907 8.218 -15.415 1.00 0.00 C ATOM 1818 C GLY A 114 -24.103 9.706 -15.200 1.00 0.00 C ATOM 1819 O GLY A 114 -25.082 10.286 -15.670 1.00 0.00 O ATOM 0 H GLY A 114 -24.956 6.838 -14.239 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -22.892 8.036 -15.769 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -24.584 7.875 -16.197 1.00 0.00 H new ATOM 1823 N THR A 115 -23.170 10.326 -14.484 1.00 0.00 N ATOM 1824 CA THR A 115 -23.246 11.755 -14.205 1.00 0.00 C ATOM 1825 C THR A 115 -21.870 12.406 -14.292 1.00 0.00 C ATOM 1826 O THR A 115 -20.845 11.724 -14.253 1.00 0.00 O ATOM 1827 CB THR A 115 -23.840 12.023 -12.810 1.00 0.00 C ATOM 1828 OG1 THR A 115 -22.976 11.495 -11.798 1.00 0.00 O ATOM 1829 CG2 THR A 115 -25.221 11.398 -12.681 1.00 0.00 C ATOM 0 H THR A 115 -22.353 9.861 -14.087 1.00 0.00 H new ATOM 0 HA THR A 115 -23.900 12.191 -14.961 1.00 0.00 H new ATOM 0 HB THR A 115 -23.932 13.101 -12.681 1.00 0.00 H new ATOM 0 HG1 THR A 115 -23.314 10.625 -11.500 1.00 0.00 H new ATOM 0 HG21 THR A 115 -25.621 11.600 -11.687 1.00 0.00 H new ATOM 0 HG22 THR A 115 -25.885 11.824 -13.433 1.00 0.00 H new ATOM 0 HG23 THR A 115 -25.148 10.321 -12.830 1.00 0.00 H new ATOM 1837 N THR A 116 -21.853 13.730 -14.410 1.00 0.00 N ATOM 1838 CA THR A 116 -20.603 14.473 -14.503 1.00 0.00 C ATOM 1839 C THR A 116 -20.599 15.663 -13.551 1.00 0.00 C ATOM 1840 O THR A 116 -21.604 16.352 -13.374 1.00 0.00 O ATOM 1841 CB THR A 116 -20.355 14.977 -15.937 1.00 0.00 C ATOM 1842 OG1 THR A 116 -21.437 15.817 -16.355 1.00 0.00 O ATOM 1843 CG2 THR A 116 -20.209 13.811 -16.903 1.00 0.00 C ATOM 0 H THR A 116 -22.692 14.310 -14.443 1.00 0.00 H new ATOM 0 HA THR A 116 -19.805 13.785 -14.224 1.00 0.00 H new ATOM 0 HB THR A 116 -19.428 15.550 -15.942 1.00 0.00 H new ATOM 0 HG1 THR A 116 -21.271 16.135 -17.267 1.00 0.00 H new ATOM 0 HG21 THR A 116 -20.035 14.192 -17.909 1.00 0.00 H new ATOM 0 HG22 THR A 116 -19.366 13.190 -16.599 1.00 0.00 H new ATOM 0 HG23 THR A 116 -21.121 13.215 -16.894 1.00 0.00 H new ATOM 1851 N PRO A 117 -19.441 15.914 -12.921 1.00 0.00 N ATOM 1852 CA PRO A 117 -19.278 17.023 -11.976 1.00 0.00 C ATOM 1853 C PRO A 117 -19.311 18.383 -12.667 1.00 0.00 C ATOM 1854 O PRO A 117 -18.916 18.510 -13.825 1.00 0.00 O ATOM 1855 CB PRO A 117 -17.899 16.767 -11.364 1.00 0.00 C ATOM 1856 CG PRO A 117 -17.166 15.980 -12.395 1.00 0.00 C ATOM 1857 CD PRO A 117 -18.202 15.135 -13.084 1.00 0.00 C ATOM 0 HA PRO A 117 -20.085 17.057 -11.244 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -17.385 17.702 -11.141 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -17.978 16.215 -10.427 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -16.664 16.638 -13.104 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -16.396 15.358 -11.937 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -17.960 14.980 -14.135 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -18.284 14.149 -12.628 1.00 0.00 H new ATOM 1865 N ASN A 118 -19.783 19.395 -11.947 1.00 0.00 N ATOM 1866 CA ASN A 118 -19.866 20.746 -12.491 1.00 0.00 C ATOM 1867 C ASN A 118 -18.478 21.290 -12.812 1.00 0.00 C ATOM 1868 O ASN A 118 -17.501 20.963 -12.138 1.00 0.00 O ATOM 1869 CB ASN A 118 -20.574 21.674 -11.501 1.00 0.00 C ATOM 1870 CG ASN A 118 -19.985 21.588 -10.107 1.00 0.00 C ATOM 1871 OD1 ASN A 118 -19.002 22.260 -9.793 1.00 0.00 O ATOM 1872 ND2 ASN A 118 -20.585 20.758 -9.261 1.00 0.00 N ATOM 0 H ASN A 118 -20.114 19.306 -10.986 1.00 0.00 H new ATOM 0 HA ASN A 118 -20.442 20.704 -13.415 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -20.507 22.702 -11.858 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -21.633 21.419 -11.462 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -20.234 20.658 -8.309 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -21.397 20.220 -9.564 1.00 0.00 H new ATOM 1879 N ILE A 119 -18.399 22.122 -13.845 1.00 0.00 N ATOM 1880 CA ILE A 119 -17.131 22.713 -14.255 1.00 0.00 C ATOM 1881 C ILE A 119 -17.109 24.213 -13.980 1.00 0.00 C ATOM 1882 O ILE A 119 -17.991 24.948 -14.424 1.00 0.00 O ATOM 1883 CB ILE A 119 -16.854 22.471 -15.750 1.00 0.00 C ATOM 1884 CG1 ILE A 119 -16.834 20.972 -16.052 1.00 0.00 C ATOM 1885 CG2 ILE A 119 -15.537 23.116 -16.156 1.00 0.00 C ATOM 1886 CD1 ILE A 119 -17.275 20.633 -17.459 1.00 0.00 C ATOM 0 H ILE A 119 -19.198 22.402 -14.413 1.00 0.00 H new ATOM 0 HA ILE A 119 -16.352 22.227 -13.667 1.00 0.00 H new ATOM 0 HB ILE A 119 -17.655 22.929 -16.331 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -15.825 20.591 -15.895 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -17.483 20.458 -15.343 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -15.355 22.936 -17.216 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -15.586 24.189 -15.973 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -14.725 22.685 -15.570 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -17.236 19.553 -17.602 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -18.295 20.983 -17.615 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -16.612 21.118 -18.175 1.00 0.00 H new ATOM 1898 N ASP A 120 -16.095 24.660 -13.249 1.00 0.00 N ATOM 1899 CA ASP A 120 -15.956 26.073 -12.917 1.00 0.00 C ATOM 1900 C ASP A 120 -14.485 26.459 -12.788 1.00 0.00 C ATOM 1901 O ASP A 120 -13.686 25.716 -12.220 1.00 0.00 O ATOM 1902 CB ASP A 120 -16.695 26.389 -11.616 1.00 0.00 C ATOM 1903 CG ASP A 120 -15.941 25.910 -10.391 1.00 0.00 C ATOM 1904 OD1 ASP A 120 -15.844 24.679 -10.198 1.00 0.00 O ATOM 1905 OD2 ASP A 120 -15.448 26.764 -9.626 1.00 0.00 O ATOM 0 H ASP A 120 -15.357 24.064 -12.875 1.00 0.00 H new ATOM 0 HA ASP A 120 -16.396 26.656 -13.726 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -16.854 27.465 -11.544 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -17.680 25.922 -11.638 1.00 0.00 H new ATOM 1910 N SER A 121 -14.136 27.626 -13.321 1.00 0.00 N ATOM 1911 CA SER A 121 -12.761 28.109 -13.270 1.00 0.00 C ATOM 1912 C SER A 121 -12.109 27.750 -11.938 1.00 0.00 C ATOM 1913 O SER A 121 -12.769 27.713 -10.901 1.00 0.00 O ATOM 1914 CB SER A 121 -12.722 29.624 -13.479 1.00 0.00 C ATOM 1915 OG SER A 121 -11.405 30.126 -13.327 1.00 0.00 O ATOM 0 H SER A 121 -14.786 28.254 -13.793 1.00 0.00 H new ATOM 0 HA SER A 121 -12.202 27.625 -14.071 1.00 0.00 H new ATOM 0 HB2 SER A 121 -13.094 29.867 -14.474 1.00 0.00 H new ATOM 0 HB3 SER A 121 -13.385 30.110 -12.763 1.00 0.00 H new ATOM 0 HG SER A 121 -11.406 31.096 -13.467 1.00 0.00 H new ATOM 1921 N GLY A 122 -10.806 27.488 -11.976 1.00 0.00 N ATOM 1922 CA GLY A 122 -10.085 27.136 -10.767 1.00 0.00 C ATOM 1923 C GLY A 122 -10.090 25.643 -10.502 1.00 0.00 C ATOM 1924 O GLY A 122 -10.723 25.160 -9.563 1.00 0.00 O ATOM 0 H GLY A 122 -10.237 27.513 -12.822 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -9.055 27.484 -10.848 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -10.531 27.654 -9.918 1.00 0.00 H new ATOM 1928 N PRO A 123 -9.373 24.886 -11.346 1.00 0.00 N ATOM 1929 CA PRO A 123 -9.283 23.428 -11.220 1.00 0.00 C ATOM 1930 C PRO A 123 -8.478 23.001 -9.997 1.00 0.00 C ATOM 1931 O PRO A 123 -8.922 22.165 -9.211 1.00 0.00 O ATOM 1932 CB PRO A 123 -8.568 23.005 -12.505 1.00 0.00 C ATOM 1933 CG PRO A 123 -7.783 24.203 -12.915 1.00 0.00 C ATOM 1934 CD PRO A 123 -8.595 25.395 -12.488 1.00 0.00 C ATOM 0 HA PRO A 123 -10.263 22.968 -11.090 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -7.919 22.147 -12.332 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -9.281 22.715 -13.277 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -6.802 24.208 -12.440 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -7.616 24.210 -13.992 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -7.959 26.232 -12.200 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -9.243 25.748 -13.290 1.00 0.00 H new ATOM 1942 N SER A 124 -7.292 23.581 -9.842 1.00 0.00 N ATOM 1943 CA SER A 124 -6.424 23.258 -8.716 1.00 0.00 C ATOM 1944 C SER A 124 -5.314 24.294 -8.571 1.00 0.00 C ATOM 1945 O SER A 124 -5.102 25.122 -9.458 1.00 0.00 O ATOM 1946 CB SER A 124 -5.816 21.865 -8.897 1.00 0.00 C ATOM 1947 OG SER A 124 -5.036 21.799 -10.078 1.00 0.00 O ATOM 0 H SER A 124 -6.910 24.277 -10.482 1.00 0.00 H new ATOM 0 HA SER A 124 -7.028 23.269 -7.809 1.00 0.00 H new ATOM 0 HB2 SER A 124 -5.197 21.620 -8.034 1.00 0.00 H new ATOM 0 HB3 SER A 124 -6.611 21.121 -8.940 1.00 0.00 H new ATOM 0 HG SER A 124 -4.657 20.900 -10.170 1.00 0.00 H new ATOM 1953 N SER A 125 -4.608 24.242 -7.446 1.00 0.00 N ATOM 1954 CA SER A 125 -3.521 25.179 -7.181 1.00 0.00 C ATOM 1955 C SER A 125 -2.411 24.509 -6.377 1.00 0.00 C ATOM 1956 O SER A 125 -2.675 23.732 -5.461 1.00 0.00 O ATOM 1957 CB SER A 125 -4.046 26.402 -6.427 1.00 0.00 C ATOM 1958 OG SER A 125 -5.140 26.991 -7.109 1.00 0.00 O ATOM 0 H SER A 125 -4.769 23.562 -6.703 1.00 0.00 H new ATOM 0 HA SER A 125 -3.110 25.501 -8.138 1.00 0.00 H new ATOM 0 HB2 SER A 125 -4.354 26.110 -5.423 1.00 0.00 H new ATOM 0 HB3 SER A 125 -3.247 27.134 -6.314 1.00 0.00 H new ATOM 0 HG SER A 125 -5.458 27.770 -6.606 1.00 0.00 H new ATOM 1964 N GLY A 126 -1.166 24.817 -6.728 1.00 0.00 N ATOM 1965 CA GLY A 126 -0.034 24.237 -6.030 1.00 0.00 C ATOM 1966 C GLY A 126 1.291 24.803 -6.504 1.00 0.00 C ATOM 1967 O GLY A 126 1.331 25.859 -7.136 1.00 0.00 O ATOM 0 H GLY A 126 -0.922 25.458 -7.483 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -0.140 24.416 -4.960 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -0.037 23.157 -6.174 1.00 0.00 H new TER 1971 GLY A 126