USER MOD reduce.3.24.130724 H: found=0, std=0, add=1028, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1026 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 75 SER OG : rot 180:sc= 0.32 USER MOD Set 1.2: A 76 GLN : amide:sc= -5.69 K(o=-5.4,f=-8.5!) USER MOD Set 2.1: A 13 THR OG1 : rot 67:sc= 0.714 USER MOD Set 2.2: A 14 GLN : amide:sc= -2.21! C(o=-1.5!,f=-9.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= 0.00412 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot -47:sc= 0.944 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 50:sc= -0.222 USER MOD Single : A 11 THR OG1 : rot -133:sc= -0.784! USER MOD Single : A 12 SER OG : rot 180:sc= -0.238 USER MOD Single : A 19 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-0.49) USER MOD Single : A 23 ASN : amide:sc= -7.73! C(o=-7.7!,f=-9.8!) USER MOD Single : A 35 ASN : amide:sc= -0.0538 K(o=-0.054,f=-0.58) USER MOD Single : A 36 TYR OH : rot 180:sc=-0.00292 USER MOD Single : A 43 SER OG : rot 150:sc= -1.39! USER MOD Single : A 45 HIS : no HD1:sc= -0.01 X(o=-0.01,f=-0.01) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.205 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.314 X(o=-0.31,f=-0.48) USER MOD Single : A 60 GLN : amide:sc= -1.39 K(o=-1.4,f=-4.8!) USER MOD Single : A 61 ASN : amide:sc= -2.46! K(o=-2.5!,f=-0.1) USER MOD Single : A 63 LYS NZ :NH3+ 148:sc= -0.157 (180deg=-1.07) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 103:sc= 1.18 USER MOD Single : A 71 HIS : no HD1:sc= -10.1! C(o=-10!,f=-10!) USER MOD Single : A 72 SER OG : rot 107:sc= -3.01 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot 180:sc= -2.04 USER MOD Single : A 88 ASN : amide:sc= -1.42 X(o=-1.4,f=-1.3) USER MOD Single : A 89 TYR OH : rot -38:sc= -2.23 USER MOD Single : A 93 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0251) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0762 USER MOD Single : A 100 LYS NZ :NH3+ -173:sc= 1.19 (180deg=1.15) USER MOD Single : A 101 ASN : amide:sc= -0.257 X(o=-0.26,f=-0.1) USER MOD Single : A 103 MET CE :methyl -150:sc= -3.25! (180deg=-7!) USER MOD Single : A 110 ASN : amide:sc= -1.98 K(o=-2,f=-8.2!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 179:sc= 0.559 (180deg=0.558) USER MOD Single : A 131 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.020 21.716 11.685 1.00 0.00 N ATOM 2 CA MET A 1 6.333 22.017 10.263 1.00 0.00 C ATOM 3 C MET A 1 7.517 21.191 9.773 1.00 0.00 C ATOM 4 O MET A 1 7.984 20.285 10.464 1.00 0.00 O ATOM 5 CB MET A 1 6.640 23.512 10.137 1.00 0.00 C ATOM 6 CG MET A 1 5.484 24.325 9.578 1.00 0.00 C ATOM 7 SD MET A 1 5.515 24.428 7.777 1.00 0.00 S ATOM 8 CE MET A 1 4.898 26.089 7.524 1.00 0.00 C ATOM 0 H1 MET A 1 5.584 22.550 12.129 1.00 0.00 H new ATOM 0 H2 MET A 1 5.360 20.914 11.733 1.00 0.00 H new ATOM 0 H3 MET A 1 6.896 21.474 12.190 1.00 0.00 H new ATOM 0 HA MET A 1 5.474 21.757 9.644 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.908 23.903 11.118 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.510 23.643 9.494 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.542 23.877 9.896 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.516 25.331 9.996 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.858 26.304 6.456 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.898 26.174 7.949 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.562 26.802 8.013 1.00 0.00 H new ATOM 18 N ALA A 2 8.000 21.509 8.576 1.00 0.00 N ATOM 19 CA ALA A 2 9.131 20.798 7.990 1.00 0.00 C ATOM 20 C ALA A 2 8.780 19.341 7.706 1.00 0.00 C ATOM 21 O ALA A 2 7.668 18.893 7.985 1.00 0.00 O ATOM 22 CB ALA A 2 10.342 20.882 8.909 1.00 0.00 C ATOM 0 H ALA A 2 7.625 22.256 7.992 1.00 0.00 H new ATOM 0 HA ALA A 2 9.374 21.276 7.041 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.178 20.347 8.459 1.00 0.00 H new ATOM 0 HB2 ALA A 2 10.616 21.927 9.055 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.100 20.432 9.872 1.00 0.00 H new ATOM 28 N MET A 3 9.737 18.609 7.145 1.00 0.00 N ATOM 29 CA MET A 3 9.534 17.203 6.816 1.00 0.00 C ATOM 30 C MET A 3 10.832 16.414 6.995 1.00 0.00 C ATOM 31 O MET A 3 11.712 16.822 7.753 1.00 0.00 O ATOM 32 CB MET A 3 9.022 17.066 5.376 1.00 0.00 C ATOM 33 CG MET A 3 7.950 18.080 5.008 1.00 0.00 C ATOM 34 SD MET A 3 8.640 19.652 4.454 1.00 0.00 S ATOM 35 CE MET A 3 7.620 19.980 3.019 1.00 0.00 C ATOM 0 H MET A 3 10.662 18.967 6.908 1.00 0.00 H new ATOM 0 HA MET A 3 8.787 16.793 7.496 1.00 0.00 H new ATOM 0 HB2 MET A 3 9.862 17.174 4.690 1.00 0.00 H new ATOM 0 HB3 MET A 3 8.623 16.062 5.236 1.00 0.00 H new ATOM 0 HG2 MET A 3 7.320 17.667 4.220 1.00 0.00 H new ATOM 0 HG3 MET A 3 7.308 18.254 5.872 1.00 0.00 H new ATOM 0 HE1 MET A 3 7.925 20.922 2.564 1.00 0.00 H new ATOM 0 HE2 MET A 3 7.738 19.173 2.296 1.00 0.00 H new ATOM 0 HE3 MET A 3 6.575 20.045 3.322 1.00 0.00 H new ATOM 45 N ALA A 4 10.946 15.282 6.295 1.00 0.00 N ATOM 46 CA ALA A 4 12.135 14.433 6.371 1.00 0.00 C ATOM 47 C ALA A 4 12.095 13.520 7.593 1.00 0.00 C ATOM 48 O ALA A 4 12.320 13.961 8.719 1.00 0.00 O ATOM 49 CB ALA A 4 13.405 15.275 6.385 1.00 0.00 C ATOM 0 H ALA A 4 10.224 14.932 5.666 1.00 0.00 H new ATOM 0 HA ALA A 4 12.141 13.805 5.480 1.00 0.00 H new ATOM 0 HB1 ALA A 4 14.275 14.621 6.442 1.00 0.00 H new ATOM 0 HB2 ALA A 4 13.457 15.870 5.473 1.00 0.00 H new ATOM 0 HB3 ALA A 4 13.393 15.938 7.250 1.00 0.00 H new ATOM 55 N ARG A 5 11.811 12.242 7.355 1.00 0.00 N ATOM 56 CA ARG A 5 11.746 11.252 8.425 1.00 0.00 C ATOM 57 C ARG A 5 11.407 9.874 7.861 1.00 0.00 C ATOM 58 O ARG A 5 10.423 9.251 8.259 1.00 0.00 O ATOM 59 CB ARG A 5 10.710 11.659 9.476 1.00 0.00 C ATOM 60 CG ARG A 5 9.287 11.713 8.943 1.00 0.00 C ATOM 61 CD ARG A 5 8.383 12.534 9.848 1.00 0.00 C ATOM 62 NE ARG A 5 7.736 13.628 9.127 1.00 0.00 N ATOM 63 CZ ARG A 5 6.605 14.210 9.522 1.00 0.00 C ATOM 64 NH1 ARG A 5 5.999 13.814 10.636 1.00 0.00 N ATOM 65 NH2 ARG A 5 6.082 15.193 8.805 1.00 0.00 N ATOM 0 H ARG A 5 11.621 11.867 6.426 1.00 0.00 H new ATOM 0 HA ARG A 5 12.725 11.204 8.902 1.00 0.00 H new ATOM 0 HB2 ARG A 5 10.751 10.954 10.306 1.00 0.00 H new ATOM 0 HB3 ARG A 5 10.976 12.637 9.876 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.289 12.144 7.942 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.892 10.701 8.854 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.622 11.887 10.284 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.968 12.939 10.674 1.00 0.00 H new ATOM 0 HE ARG A 5 8.176 13.966 8.271 1.00 0.00 H new ATOM 0 HH11 ARG A 5 6.400 13.060 11.194 1.00 0.00 H new ATOM 0 HH12 ARG A 5 5.133 14.264 10.933 1.00 0.00 H new ATOM 0 HH21 ARG A 5 6.545 15.504 7.951 1.00 0.00 H new ATOM 0 HH22 ARG A 5 5.216 15.639 9.107 1.00 0.00 H new ATOM 79 N SER A 6 12.231 9.410 6.926 1.00 0.00 N ATOM 80 CA SER A 6 12.024 8.109 6.294 1.00 0.00 C ATOM 81 C SER A 6 10.731 8.094 5.490 1.00 0.00 C ATOM 82 O SER A 6 9.728 8.680 5.900 1.00 0.00 O ATOM 83 CB SER A 6 12.001 6.993 7.340 1.00 0.00 C ATOM 84 OG SER A 6 10.717 6.863 7.925 1.00 0.00 O ATOM 0 H SER A 6 13.050 9.916 6.588 1.00 0.00 H new ATOM 0 HA SER A 6 12.858 7.935 5.615 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.289 6.050 6.875 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.737 7.203 8.116 1.00 0.00 H new ATOM 0 HG SER A 6 10.380 7.749 8.174 1.00 0.00 H new ATOM 90 N ILE A 7 10.767 7.416 4.342 1.00 0.00 N ATOM 91 CA ILE A 7 9.609 7.306 3.450 1.00 0.00 C ATOM 92 C ILE A 7 8.901 8.649 3.270 1.00 0.00 C ATOM 93 O ILE A 7 9.323 9.664 3.823 1.00 0.00 O ATOM 94 CB ILE A 7 8.595 6.250 3.945 1.00 0.00 C ATOM 95 CG1 ILE A 7 8.353 6.375 5.453 1.00 0.00 C ATOM 96 CG2 ILE A 7 9.086 4.851 3.597 1.00 0.00 C ATOM 97 CD1 ILE A 7 7.365 5.366 5.992 1.00 0.00 C ATOM 0 H ILE A 7 11.597 6.928 4.004 1.00 0.00 H new ATOM 0 HA ILE A 7 10.001 6.985 2.485 1.00 0.00 H new ATOM 0 HB ILE A 7 7.645 6.428 3.441 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.302 6.257 5.976 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.991 7.379 5.673 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.365 4.114 3.950 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.196 4.762 2.516 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.049 4.674 4.075 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.243 5.514 7.065 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.403 5.498 5.496 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.735 4.358 5.804 1.00 0.00 H new ATOM 109 N SER A 8 7.826 8.658 2.485 1.00 0.00 N ATOM 110 CA SER A 8 7.082 9.886 2.242 1.00 0.00 C ATOM 111 C SER A 8 5.659 9.765 2.771 1.00 0.00 C ATOM 112 O SER A 8 5.234 8.688 3.178 1.00 0.00 O ATOM 113 CB SER A 8 7.068 10.217 0.751 1.00 0.00 C ATOM 114 OG SER A 8 7.967 11.271 0.454 1.00 0.00 O ATOM 0 H SER A 8 7.455 7.835 2.011 1.00 0.00 H new ATOM 0 HA SER A 8 7.579 10.698 2.773 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.339 9.331 0.176 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.060 10.498 0.447 1.00 0.00 H new ATOM 0 HG SER A 8 7.941 11.463 -0.507 1.00 0.00 H new ATOM 120 N TYR A 9 4.934 10.878 2.778 1.00 0.00 N ATOM 121 CA TYR A 9 3.557 10.894 3.267 1.00 0.00 C ATOM 122 C TYR A 9 2.662 11.683 2.319 1.00 0.00 C ATOM 123 O TYR A 9 2.999 12.800 1.928 1.00 0.00 O ATOM 124 CB TYR A 9 3.489 11.499 4.675 1.00 0.00 C ATOM 125 CG TYR A 9 4.805 12.063 5.167 1.00 0.00 C ATOM 126 CD1 TYR A 9 5.881 11.226 5.431 1.00 0.00 C ATOM 127 CD2 TYR A 9 4.972 13.429 5.364 1.00 0.00 C ATOM 128 CE1 TYR A 9 7.085 11.733 5.879 1.00 0.00 C ATOM 129 CE2 TYR A 9 6.175 13.943 5.812 1.00 0.00 C ATOM 130 CZ TYR A 9 7.228 13.091 6.068 1.00 0.00 C ATOM 131 OH TYR A 9 8.426 13.600 6.513 1.00 0.00 O ATOM 0 H TYR A 9 5.275 11.782 2.451 1.00 0.00 H new ATOM 0 HA TYR A 9 3.202 9.864 3.311 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.740 12.291 4.683 1.00 0.00 H new ATOM 0 HB3 TYR A 9 3.150 10.733 5.373 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.775 10.161 5.284 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.149 14.099 5.164 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.912 11.068 6.081 1.00 0.00 H new ATOM 0 HE2 TYR A 9 6.289 15.007 5.961 1.00 0.00 H new ATOM 0 HH TYR A 9 9.157 13.242 5.967 1.00 0.00 H new ATOM 141 N ILE A 10 1.518 11.108 1.950 1.00 0.00 N ATOM 142 CA ILE A 10 0.601 11.795 1.048 1.00 0.00 C ATOM 143 C ILE A 10 -0.858 11.569 1.437 1.00 0.00 C ATOM 144 O ILE A 10 -1.287 10.442 1.684 1.00 0.00 O ATOM 145 CB ILE A 10 0.826 11.343 -0.420 1.00 0.00 C ATOM 146 CG1 ILE A 10 1.762 12.320 -1.132 1.00 0.00 C ATOM 147 CG2 ILE A 10 -0.491 11.225 -1.180 1.00 0.00 C ATOM 148 CD1 ILE A 10 3.210 12.192 -0.709 1.00 0.00 C ATOM 0 H ILE A 10 1.210 10.185 2.256 1.00 0.00 H new ATOM 0 HA ILE A 10 0.814 12.861 1.133 1.00 0.00 H new ATOM 0 HB ILE A 10 1.285 10.355 -0.399 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.691 12.159 -2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.425 13.338 -0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.293 10.907 -2.204 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.130 10.491 -0.689 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.992 12.193 -1.192 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.814 12.916 -1.256 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.295 12.383 0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.565 11.185 -0.927 1.00 0.00 H new ATOM 160 N THR A 11 -1.614 12.660 1.461 1.00 0.00 N ATOM 161 CA THR A 11 -3.035 12.615 1.784 1.00 0.00 C ATOM 162 C THR A 11 -3.878 12.566 0.510 1.00 0.00 C ATOM 163 O THR A 11 -3.359 12.737 -0.592 1.00 0.00 O ATOM 164 CB THR A 11 -3.432 13.811 2.646 1.00 0.00 C ATOM 165 OG1 THR A 11 -2.358 14.203 3.485 1.00 0.00 O ATOM 166 CG2 THR A 11 -4.626 13.528 3.533 1.00 0.00 C ATOM 0 H THR A 11 -1.262 13.596 1.258 1.00 0.00 H new ATOM 0 HA THR A 11 -3.225 11.706 2.354 1.00 0.00 H new ATOM 0 HB THR A 11 -3.694 14.604 1.945 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.689 14.339 4.397 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.860 14.415 4.122 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.484 13.265 2.915 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.394 12.700 4.202 1.00 0.00 H new ATOM 174 N SER A 12 -5.180 12.332 0.667 1.00 0.00 N ATOM 175 CA SER A 12 -6.093 12.261 -0.476 1.00 0.00 C ATOM 176 C SER A 12 -5.898 13.442 -1.430 1.00 0.00 C ATOM 177 O SER A 12 -5.740 13.253 -2.634 1.00 0.00 O ATOM 178 CB SER A 12 -7.544 12.218 0.005 1.00 0.00 C ATOM 179 OG SER A 12 -7.944 13.467 0.541 1.00 0.00 O ATOM 0 H SER A 12 -5.627 12.188 1.572 1.00 0.00 H new ATOM 0 HA SER A 12 -5.864 11.345 -1.021 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.197 11.950 -0.825 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.656 11.442 0.762 1.00 0.00 H new ATOM 0 HG SER A 12 -8.876 13.412 0.839 1.00 0.00 H new ATOM 185 N THR A 13 -5.912 14.659 -0.890 1.00 0.00 N ATOM 186 CA THR A 13 -5.737 15.859 -1.708 1.00 0.00 C ATOM 187 C THR A 13 -4.324 15.956 -2.236 1.00 0.00 C ATOM 188 O THR A 13 -4.110 16.379 -3.368 1.00 0.00 O ATOM 189 CB THR A 13 -6.077 17.120 -0.923 1.00 0.00 C ATOM 190 OG1 THR A 13 -5.362 17.162 0.297 1.00 0.00 O ATOM 191 CG2 THR A 13 -7.549 17.249 -0.599 1.00 0.00 C ATOM 0 H THR A 13 -6.042 14.841 0.105 1.00 0.00 H new ATOM 0 HA THR A 13 -6.424 15.776 -2.550 1.00 0.00 H new ATOM 0 HB THR A 13 -5.793 17.947 -1.574 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.405 17.263 0.112 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.719 18.169 -0.040 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.124 17.275 -1.524 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.866 16.396 0.001 1.00 0.00 H new ATOM 199 N GLN A 14 -3.359 15.551 -1.426 1.00 0.00 N ATOM 200 CA GLN A 14 -1.968 15.585 -1.848 1.00 0.00 C ATOM 201 C GLN A 14 -1.808 14.749 -3.105 1.00 0.00 C ATOM 202 O GLN A 14 -0.875 14.939 -3.881 1.00 0.00 O ATOM 203 CB GLN A 14 -1.075 15.082 -0.718 1.00 0.00 C ATOM 204 CG GLN A 14 -1.181 15.913 0.556 1.00 0.00 C ATOM 205 CD GLN A 14 -2.022 17.176 0.397 1.00 0.00 C ATOM 206 OE1 GLN A 14 -3.097 17.292 0.984 1.00 0.00 O ATOM 207 NE2 GLN A 14 -1.539 18.128 -0.397 1.00 0.00 N ATOM 0 H GLN A 14 -3.511 15.198 -0.481 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.667 16.607 -2.078 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -1.337 14.049 -0.491 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.039 15.081 -1.057 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.612 15.298 1.346 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.179 16.193 0.881 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.643 17.995 -0.867 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.064 18.991 -0.536 1.00 0.00 H new ATOM 216 N LEU A 15 -2.772 13.865 -3.330 1.00 0.00 N ATOM 217 CA LEU A 15 -2.788 13.048 -4.527 1.00 0.00 C ATOM 218 C LEU A 15 -3.058 13.944 -5.737 1.00 0.00 C ATOM 219 O LEU A 15 -2.644 13.633 -6.855 1.00 0.00 O ATOM 220 CB LEU A 15 -3.867 11.967 -4.422 1.00 0.00 C ATOM 221 CG LEU A 15 -3.890 10.950 -5.564 1.00 0.00 C ATOM 222 CD1 LEU A 15 -2.971 9.780 -5.255 1.00 0.00 C ATOM 223 CD2 LEU A 15 -5.311 10.460 -5.810 1.00 0.00 C ATOM 0 H LEU A 15 -3.553 13.699 -2.695 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.822 12.556 -4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.730 11.431 -3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.841 12.454 -4.372 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.531 11.440 -6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.000 9.067 -6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.951 10.143 -5.125 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.301 9.290 -4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.310 9.737 -6.626 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.694 9.987 -4.906 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.947 11.305 -6.075 1.00 0.00 H new ATOM 235 N LEU A 16 -3.764 15.064 -5.505 1.00 0.00 N ATOM 236 CA LEU A 16 -4.091 15.999 -6.584 1.00 0.00 C ATOM 237 C LEU A 16 -2.835 16.646 -7.196 1.00 0.00 C ATOM 238 O LEU A 16 -2.648 16.602 -8.412 1.00 0.00 O ATOM 239 CB LEU A 16 -5.040 17.084 -6.055 1.00 0.00 C ATOM 240 CG LEU A 16 -5.397 18.200 -7.043 1.00 0.00 C ATOM 241 CD1 LEU A 16 -4.298 19.252 -7.078 1.00 0.00 C ATOM 242 CD2 LEU A 16 -5.644 17.636 -8.434 1.00 0.00 C ATOM 0 H LEU A 16 -4.114 15.338 -4.587 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.579 15.432 -7.377 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.963 16.605 -5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.587 17.537 -5.173 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.318 18.674 -6.703 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.568 20.037 -7.785 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.176 19.684 -6.085 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.361 18.790 -7.390 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.896 18.448 -9.116 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.745 17.131 -8.787 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.469 16.925 -8.397 1.00 0.00 H new ATOM 254 N PRO A 17 -1.957 17.263 -6.374 1.00 0.00 N ATOM 255 CA PRO A 17 -0.736 17.916 -6.870 1.00 0.00 C ATOM 256 C PRO A 17 0.197 16.961 -7.618 1.00 0.00 C ATOM 257 O PRO A 17 1.101 17.399 -8.328 1.00 0.00 O ATOM 258 CB PRO A 17 -0.053 18.462 -5.609 1.00 0.00 C ATOM 259 CG PRO A 17 -0.725 17.797 -4.454 1.00 0.00 C ATOM 260 CD PRO A 17 -2.097 17.393 -4.918 1.00 0.00 C ATOM 0 HA PRO A 17 -0.980 18.690 -7.598 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.015 18.243 -5.618 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -0.155 19.546 -5.548 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.157 16.927 -4.126 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.790 18.475 -3.603 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.412 16.454 -4.462 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.844 18.142 -4.654 1.00 0.00 H new ATOM 268 N LEU A 18 -0.038 15.660 -7.477 1.00 0.00 N ATOM 269 CA LEU A 18 0.770 14.659 -8.165 1.00 0.00 C ATOM 270 C LEU A 18 -0.119 13.520 -8.641 1.00 0.00 C ATOM 271 O LEU A 18 -0.028 12.387 -8.168 1.00 0.00 O ATOM 272 CB LEU A 18 1.912 14.128 -7.287 1.00 0.00 C ATOM 273 CG LEU A 18 1.603 13.954 -5.799 1.00 0.00 C ATOM 274 CD1 LEU A 18 1.523 15.305 -5.107 1.00 0.00 C ATOM 275 CD2 LEU A 18 0.319 13.167 -5.604 1.00 0.00 C ATOM 0 H LEU A 18 -0.780 15.275 -6.893 1.00 0.00 H new ATOM 0 HA LEU A 18 1.235 15.140 -9.026 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.229 13.164 -7.685 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.760 14.806 -7.383 1.00 0.00 H new ATOM 0 HG LEU A 18 2.416 13.388 -5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.302 15.160 -4.049 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.476 15.824 -5.211 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.733 15.902 -5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.119 13.055 -4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.508 13.698 -6.075 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.423 12.182 -6.059 1.00 0.00 H new ATOM 287 N HIS A 19 -0.978 13.852 -9.594 1.00 0.00 N ATOM 288 CA HIS A 19 -1.914 12.906 -10.188 1.00 0.00 C ATOM 289 C HIS A 19 -1.215 12.051 -11.234 1.00 0.00 C ATOM 290 O HIS A 19 -1.735 11.819 -12.325 1.00 0.00 O ATOM 291 CB HIS A 19 -3.084 13.657 -10.828 1.00 0.00 C ATOM 292 CG HIS A 19 -2.651 14.690 -11.822 1.00 0.00 C ATOM 293 ND1 HIS A 19 -3.329 15.874 -12.023 1.00 0.00 N ATOM 294 CD2 HIS A 19 -1.596 14.715 -12.671 1.00 0.00 C ATOM 295 CE1 HIS A 19 -2.709 16.581 -12.951 1.00 0.00 C ATOM 296 NE2 HIS A 19 -1.653 15.901 -13.360 1.00 0.00 N ATOM 0 H HIS A 19 -1.046 14.793 -9.981 1.00 0.00 H new ATOM 0 HA HIS A 19 -2.294 12.255 -9.401 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -3.740 12.940 -11.322 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.669 14.139 -10.045 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.848 13.944 -12.785 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -3.014 17.551 -13.314 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.989 16.207 -14.071 1.00 0.00 H new ATOM 305 N ARG A 20 -0.031 11.584 -10.878 1.00 0.00 N ATOM 306 CA ARG A 20 0.781 10.743 -11.752 1.00 0.00 C ATOM 307 C ARG A 20 0.202 9.335 -11.836 1.00 0.00 C ATOM 308 O ARG A 20 0.936 8.347 -11.866 1.00 0.00 O ATOM 309 CB ARG A 20 2.224 10.684 -11.247 1.00 0.00 C ATOM 310 CG ARG A 20 2.791 12.037 -10.849 1.00 0.00 C ATOM 311 CD ARG A 20 4.163 11.900 -10.207 1.00 0.00 C ATOM 312 NE ARG A 20 4.977 13.098 -10.396 1.00 0.00 N ATOM 313 CZ ARG A 20 5.482 13.474 -11.568 1.00 0.00 C ATOM 314 NH1 ARG A 20 5.265 12.745 -12.656 1.00 0.00 N ATOM 315 NH2 ARG A 20 6.207 14.582 -11.652 1.00 0.00 N ATOM 0 H ARG A 20 0.399 11.776 -9.973 1.00 0.00 H new ATOM 0 HA ARG A 20 0.773 11.183 -12.749 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.271 10.014 -10.389 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.854 10.251 -12.024 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.862 12.676 -11.729 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.110 12.528 -10.153 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.047 11.705 -9.141 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.679 11.040 -10.634 1.00 0.00 H new ATOM 0 HE ARG A 20 5.170 13.681 -9.581 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.709 11.892 -12.596 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.654 13.038 -13.552 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.377 15.145 -10.818 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.595 14.871 -12.550 1.00 0.00 H new ATOM 329 N ARG A 21 -1.125 9.268 -11.870 1.00 0.00 N ATOM 330 CA ARG A 21 -1.862 8.001 -11.949 1.00 0.00 C ATOM 331 C ARG A 21 -1.105 6.927 -12.738 1.00 0.00 C ATOM 332 O ARG A 21 -0.919 5.814 -12.247 1.00 0.00 O ATOM 333 CB ARG A 21 -3.239 8.230 -12.577 1.00 0.00 C ATOM 334 CG ARG A 21 -4.327 7.341 -11.993 1.00 0.00 C ATOM 335 CD ARG A 21 -5.714 7.950 -12.164 1.00 0.00 C ATOM 336 NE ARG A 21 -5.834 8.730 -13.396 1.00 0.00 N ATOM 337 CZ ARG A 21 -5.656 10.049 -13.466 1.00 0.00 C ATOM 338 NH1 ARG A 21 -5.330 10.745 -12.383 1.00 0.00 N ATOM 339 NH2 ARG A 21 -5.799 10.674 -14.627 1.00 0.00 N ATOM 0 H ARG A 21 -1.726 10.091 -11.844 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.975 7.635 -10.928 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.522 9.274 -12.442 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.174 8.054 -13.651 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.297 6.365 -12.478 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.131 7.177 -10.933 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.459 7.154 -12.167 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.935 8.590 -11.309 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.069 8.233 -14.255 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.214 10.270 -11.488 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.196 11.754 -12.447 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.045 10.145 -15.464 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.663 11.683 -14.683 1.00 0.00 H new ATOM 353 N PRO A 22 -0.660 7.238 -13.972 1.00 0.00 N ATOM 354 CA PRO A 22 0.074 6.284 -14.812 1.00 0.00 C ATOM 355 C PRO A 22 1.045 5.406 -14.017 1.00 0.00 C ATOM 356 O PRO A 22 1.313 4.266 -14.397 1.00 0.00 O ATOM 357 CB PRO A 22 0.823 7.201 -15.774 1.00 0.00 C ATOM 358 CG PRO A 22 -0.092 8.364 -15.960 1.00 0.00 C ATOM 359 CD PRO A 22 -0.838 8.537 -14.658 1.00 0.00 C ATOM 0 HA PRO A 22 -0.587 5.567 -15.299 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.783 7.512 -15.362 1.00 0.00 H new ATOM 0 HB3 PRO A 22 1.029 6.702 -16.721 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.471 9.264 -16.207 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -0.784 8.185 -16.783 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.430 9.359 -14.070 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.892 8.759 -14.827 1.00 0.00 H new ATOM 367 N ASN A 23 1.561 5.938 -12.910 1.00 0.00 N ATOM 368 CA ASN A 23 2.489 5.195 -12.062 1.00 0.00 C ATOM 369 C ASN A 23 2.165 5.394 -10.569 1.00 0.00 C ATOM 370 O ASN A 23 2.971 5.949 -9.823 1.00 0.00 O ATOM 371 CB ASN A 23 3.933 5.610 -12.336 1.00 0.00 C ATOM 372 CG ASN A 23 4.234 5.792 -13.809 1.00 0.00 C ATOM 373 OD1 ASN A 23 3.501 6.463 -14.532 1.00 0.00 O ATOM 374 ND2 ASN A 23 5.330 5.189 -14.252 1.00 0.00 N ATOM 0 H ASN A 23 1.352 6.880 -12.580 1.00 0.00 H new ATOM 0 HA ASN A 23 2.373 4.139 -12.305 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.142 6.543 -11.812 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.605 4.856 -11.925 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.597 5.272 -15.233 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.906 4.643 -13.611 1.00 0.00 H new ATOM 381 N ILE A 24 0.993 4.926 -10.130 1.00 0.00 N ATOM 382 CA ILE A 24 0.604 5.036 -8.716 1.00 0.00 C ATOM 383 C ILE A 24 -0.037 3.737 -8.213 1.00 0.00 C ATOM 384 O ILE A 24 -0.810 3.106 -8.934 1.00 0.00 O ATOM 385 CB ILE A 24 -0.384 6.193 -8.465 1.00 0.00 C ATOM 386 CG1 ILE A 24 -0.627 6.355 -6.962 1.00 0.00 C ATOM 387 CG2 ILE A 24 -1.699 5.942 -9.189 1.00 0.00 C ATOM 388 CD1 ILE A 24 -0.537 7.783 -6.483 1.00 0.00 C ATOM 0 H ILE A 24 0.301 4.471 -10.725 1.00 0.00 H new ATOM 0 HA ILE A 24 1.526 5.235 -8.170 1.00 0.00 H new ATOM 0 HB ILE A 24 0.050 7.113 -8.855 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.614 5.961 -6.718 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.101 5.752 -6.418 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.383 6.770 -8.999 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.515 5.862 -10.260 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.143 5.015 -8.827 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.720 7.819 -5.409 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.458 8.176 -6.695 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.283 8.387 -6.999 1.00 0.00 H new ATOM 400 N ALA A 25 0.259 3.352 -6.970 1.00 0.00 N ATOM 401 CA ALA A 25 -0.328 2.142 -6.390 1.00 0.00 C ATOM 402 C ALA A 25 -0.298 2.167 -4.856 1.00 0.00 C ATOM 403 O ALA A 25 0.592 2.753 -4.253 1.00 0.00 O ATOM 404 CB ALA A 25 0.369 0.898 -6.921 1.00 0.00 C ATOM 0 H ALA A 25 0.895 3.854 -6.351 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.374 2.112 -6.693 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.083 0.011 -6.477 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.263 0.856 -8.005 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.427 0.935 -6.662 1.00 0.00 H new ATOM 410 N ILE A 26 -1.287 1.533 -4.231 1.00 0.00 N ATOM 411 CA ILE A 26 -1.373 1.486 -2.771 1.00 0.00 C ATOM 412 C ILE A 26 -0.993 0.099 -2.212 1.00 0.00 C ATOM 413 O ILE A 26 -1.467 -0.928 -2.698 1.00 0.00 O ATOM 414 CB ILE A 26 -2.789 1.896 -2.306 1.00 0.00 C ATOM 415 CG1 ILE A 26 -2.848 3.398 -2.041 1.00 0.00 C ATOM 416 CG2 ILE A 26 -3.238 1.120 -1.075 1.00 0.00 C ATOM 417 CD1 ILE A 26 -4.176 4.014 -2.424 1.00 0.00 C ATOM 0 H ILE A 26 -2.042 1.044 -4.712 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.649 2.198 -2.375 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.479 1.648 -3.113 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.660 3.582 -0.983 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.051 3.891 -2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.238 1.443 -0.786 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.252 0.054 -1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.545 1.307 -0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.156 5.083 -2.212 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.356 3.858 -3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.974 3.545 -1.849 1.00 0.00 H new ATOM 429 N ILE A 27 -0.148 0.080 -1.177 1.00 0.00 N ATOM 430 CA ILE A 27 0.273 -1.167 -0.545 1.00 0.00 C ATOM 431 C ILE A 27 -0.592 -1.481 0.676 1.00 0.00 C ATOM 432 O ILE A 27 -0.908 -0.597 1.473 1.00 0.00 O ATOM 433 CB ILE A 27 1.758 -1.112 -0.127 1.00 0.00 C ATOM 434 CG1 ILE A 27 2.650 -1.211 -1.361 1.00 0.00 C ATOM 435 CG2 ILE A 27 2.094 -2.224 0.862 1.00 0.00 C ATOM 436 CD1 ILE A 27 2.535 -2.538 -2.082 1.00 0.00 C ATOM 0 H ILE A 27 0.257 0.918 -0.760 1.00 0.00 H new ATOM 0 HA ILE A 27 0.148 -1.960 -1.282 1.00 0.00 H new ATOM 0 HB ILE A 27 1.939 -0.158 0.369 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.393 -0.408 -2.051 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.687 -1.056 -1.064 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.147 -2.160 1.138 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.478 -2.116 1.754 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.898 -3.192 0.401 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.196 -2.540 -2.949 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.820 -3.345 -1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.506 -2.686 -2.410 1.00 0.00 H new ATOM 448 N ASP A 28 -0.971 -2.748 0.811 1.00 0.00 N ATOM 449 CA ASP A 28 -1.798 -3.183 1.929 1.00 0.00 C ATOM 450 C ASP A 28 -1.299 -4.507 2.503 1.00 0.00 C ATOM 451 O ASP A 28 -1.283 -5.526 1.815 1.00 0.00 O ATOM 452 CB ASP A 28 -3.253 -3.323 1.483 1.00 0.00 C ATOM 453 CG ASP A 28 -4.233 -3.009 2.596 1.00 0.00 C ATOM 454 OD1 ASP A 28 -4.540 -3.921 3.391 1.00 0.00 O ATOM 455 OD2 ASP A 28 -4.694 -1.850 2.672 1.00 0.00 O ATOM 0 H ASP A 28 -0.718 -3.491 0.159 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.732 -2.427 2.711 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.438 -2.655 0.641 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.425 -4.339 1.128 1.00 0.00 H new ATOM 460 N VAL A 29 -0.902 -4.485 3.772 1.00 0.00 N ATOM 461 CA VAL A 29 -0.416 -5.683 4.451 1.00 0.00 C ATOM 462 C VAL A 29 -1.230 -5.932 5.718 1.00 0.00 C ATOM 463 O VAL A 29 -1.388 -5.032 6.542 1.00 0.00 O ATOM 464 CB VAL A 29 1.076 -5.559 4.816 1.00 0.00 C ATOM 465 CG1 VAL A 29 1.630 -6.904 5.265 1.00 0.00 C ATOM 466 CG2 VAL A 29 1.873 -5.011 3.639 1.00 0.00 C ATOM 0 H VAL A 29 -0.907 -3.647 4.353 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.532 -6.523 3.766 1.00 0.00 H new ATOM 0 HB VAL A 29 1.170 -4.858 5.645 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.685 -6.797 5.519 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.080 -7.250 6.140 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.523 -7.629 4.458 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.924 -4.931 3.917 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.773 -5.684 2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.493 -4.026 3.370 1.00 0.00 H new ATOM 476 N ARG A 30 -1.772 -7.142 5.864 1.00 0.00 N ATOM 477 CA ARG A 30 -2.589 -7.453 7.030 1.00 0.00 C ATOM 478 C ARG A 30 -2.493 -8.922 7.455 1.00 0.00 C ATOM 479 O ARG A 30 -1.849 -9.233 8.456 1.00 0.00 O ATOM 480 CB ARG A 30 -4.051 -7.093 6.746 1.00 0.00 C ATOM 481 CG ARG A 30 -4.633 -6.091 7.729 1.00 0.00 C ATOM 482 CD ARG A 30 -5.792 -5.316 7.120 1.00 0.00 C ATOM 483 NE ARG A 30 -5.339 -4.123 6.406 1.00 0.00 N ATOM 484 CZ ARG A 30 -6.130 -3.368 5.646 1.00 0.00 C ATOM 485 NH1 ARG A 30 -7.410 -3.683 5.491 1.00 0.00 N ATOM 486 NH2 ARG A 30 -5.637 -2.296 5.038 1.00 0.00 N ATOM 0 H ARG A 30 -1.661 -7.908 5.200 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.203 -6.857 7.857 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.127 -6.686 5.738 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.651 -8.002 6.769 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.974 -6.614 8.623 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.855 -5.395 8.044 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.340 -5.963 6.434 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.487 -5.025 7.908 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.359 -3.853 6.495 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.792 -4.507 5.955 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.011 -3.101 4.908 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.653 -2.051 5.153 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.242 -1.717 4.456 1.00 0.00 H new ATOM 500 N ASP A 31 -3.167 -9.806 6.699 1.00 0.00 N ATOM 501 CA ASP A 31 -3.219 -11.254 6.983 1.00 0.00 C ATOM 502 C ASP A 31 -4.616 -11.786 6.634 1.00 0.00 C ATOM 503 O ASP A 31 -5.129 -11.505 5.550 1.00 0.00 O ATOM 504 CB ASP A 31 -2.872 -11.559 8.452 1.00 0.00 C ATOM 505 CG ASP A 31 -3.757 -10.807 9.428 1.00 0.00 C ATOM 506 OD1 ASP A 31 -4.876 -10.415 9.036 1.00 0.00 O ATOM 507 OD2 ASP A 31 -3.330 -10.610 10.584 1.00 0.00 O ATOM 0 H ASP A 31 -3.695 -9.536 5.869 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.472 -11.756 6.368 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.969 -12.630 8.630 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.830 -11.299 8.637 1.00 0.00 H new ATOM 512 N GLU A 32 -5.242 -12.540 7.544 1.00 0.00 N ATOM 513 CA GLU A 32 -6.579 -13.074 7.297 1.00 0.00 C ATOM 514 C GLU A 32 -7.656 -12.063 7.695 1.00 0.00 C ATOM 515 O GLU A 32 -8.846 -12.369 7.662 1.00 0.00 O ATOM 516 CB GLU A 32 -6.786 -14.378 8.069 1.00 0.00 C ATOM 517 CG GLU A 32 -5.648 -15.373 7.904 1.00 0.00 C ATOM 518 CD GLU A 32 -5.417 -16.203 9.152 1.00 0.00 C ATOM 519 OE1 GLU A 32 -4.805 -15.680 10.107 1.00 0.00 O ATOM 520 OE2 GLU A 32 -5.848 -17.375 9.174 1.00 0.00 O ATOM 0 H GLU A 32 -4.846 -12.791 8.450 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.666 -13.273 6.229 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.905 -14.148 9.128 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.714 -14.843 7.737 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.867 -16.035 7.067 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.733 -14.836 7.654 1.00 0.00 H new ATOM 527 N GLU A 33 -7.229 -10.857 8.070 1.00 0.00 N ATOM 528 CA GLU A 33 -8.154 -9.804 8.470 1.00 0.00 C ATOM 529 C GLU A 33 -9.121 -9.458 7.341 1.00 0.00 C ATOM 530 O GLU A 33 -10.169 -8.857 7.573 1.00 0.00 O ATOM 531 CB GLU A 33 -7.375 -8.556 8.893 1.00 0.00 C ATOM 532 CG GLU A 33 -8.261 -7.383 9.277 1.00 0.00 C ATOM 533 CD GLU A 33 -8.466 -6.409 8.135 1.00 0.00 C ATOM 534 OE1 GLU A 33 -8.450 -6.851 6.967 1.00 0.00 O ATOM 535 OE2 GLU A 33 -8.641 -5.202 8.407 1.00 0.00 O ATOM 0 H GLU A 33 -6.246 -10.588 8.104 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.738 -10.170 9.315 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.734 -8.808 9.738 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.720 -8.253 8.076 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.230 -7.757 9.609 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.816 -6.858 10.122 1.00 0.00 H new ATOM 542 N ARG A 34 -8.762 -9.840 6.120 1.00 0.00 N ATOM 543 CA ARG A 34 -9.597 -9.569 4.956 1.00 0.00 C ATOM 544 C ARG A 34 -10.847 -10.444 4.960 1.00 0.00 C ATOM 545 O ARG A 34 -11.778 -10.212 4.188 1.00 0.00 O ATOM 546 CB ARG A 34 -8.799 -9.808 3.674 1.00 0.00 C ATOM 547 CG ARG A 34 -8.141 -11.176 3.616 1.00 0.00 C ATOM 548 CD ARG A 34 -7.627 -11.493 2.222 1.00 0.00 C ATOM 549 NE ARG A 34 -6.169 -11.465 2.158 1.00 0.00 N ATOM 550 CZ ARG A 34 -5.461 -12.028 1.183 1.00 0.00 C ATOM 551 NH1 ARG A 34 -6.072 -12.665 0.192 1.00 0.00 N ATOM 552 NH2 ARG A 34 -4.139 -11.953 1.197 1.00 0.00 N ATOM 0 H ARG A 34 -7.897 -10.339 5.911 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.911 -8.526 4.999 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -9.462 -9.696 2.816 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.031 -9.040 3.585 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.315 -11.213 4.326 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.858 -11.938 3.922 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.984 -12.477 1.919 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.035 -10.773 1.513 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.664 -10.986 2.904 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.090 -12.725 0.175 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.524 -13.095 -0.553 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.664 -11.464 1.955 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.596 -12.385 0.449 1.00 0.00 H new ATOM 566 N ASN A 35 -10.864 -11.456 5.822 1.00 0.00 N ATOM 567 CA ASN A 35 -12.003 -12.360 5.902 1.00 0.00 C ATOM 568 C ASN A 35 -13.183 -11.706 6.617 1.00 0.00 C ATOM 569 O ASN A 35 -14.286 -11.637 6.075 1.00 0.00 O ATOM 570 CB ASN A 35 -11.607 -13.655 6.617 1.00 0.00 C ATOM 571 CG ASN A 35 -11.744 -14.873 5.723 1.00 0.00 C ATOM 572 OD1 ASN A 35 -11.458 -14.816 4.528 1.00 0.00 O ATOM 573 ND2 ASN A 35 -12.185 -15.985 6.301 1.00 0.00 N ATOM 0 H ASN A 35 -10.106 -11.669 6.471 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.313 -12.595 4.884 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.576 -13.575 6.963 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -12.231 -13.784 7.501 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.298 -16.836 5.750 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.411 -15.988 7.296 1.00 0.00 H new ATOM 580 N TYR A 36 -12.945 -11.229 7.835 1.00 0.00 N ATOM 581 CA TYR A 36 -13.996 -10.586 8.619 1.00 0.00 C ATOM 582 C TYR A 36 -14.139 -9.106 8.260 1.00 0.00 C ATOM 583 O TYR A 36 -15.135 -8.471 8.611 1.00 0.00 O ATOM 584 CB TYR A 36 -13.721 -10.741 10.118 1.00 0.00 C ATOM 585 CG TYR A 36 -12.608 -9.856 10.638 1.00 0.00 C ATOM 586 CD1 TYR A 36 -11.289 -10.293 10.644 1.00 0.00 C ATOM 587 CD2 TYR A 36 -12.881 -8.585 11.126 1.00 0.00 C ATOM 588 CE1 TYR A 36 -10.273 -9.485 11.121 1.00 0.00 C ATOM 589 CE2 TYR A 36 -11.869 -7.772 11.605 1.00 0.00 C ATOM 590 CZ TYR A 36 -10.568 -8.227 11.600 1.00 0.00 C ATOM 591 OH TYR A 36 -9.559 -7.422 12.078 1.00 0.00 O ATOM 0 H TYR A 36 -12.038 -11.275 8.300 1.00 0.00 H new ATOM 0 HA TYR A 36 -14.936 -11.083 8.378 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -14.635 -10.518 10.669 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -13.470 -11.781 10.325 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -11.054 -11.279 10.270 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -13.899 -8.225 11.132 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.252 -9.839 11.118 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -12.097 -6.786 11.981 1.00 0.00 H new ATOM 0 HH TYR A 36 -9.936 -6.568 12.377 1.00 0.00 H new ATOM 601 N ASP A 37 -13.143 -8.560 7.564 1.00 0.00 N ATOM 602 CA ASP A 37 -13.167 -7.156 7.168 1.00 0.00 C ATOM 603 C ASP A 37 -13.636 -7.007 5.726 1.00 0.00 C ATOM 604 O ASP A 37 -13.179 -6.125 5.000 1.00 0.00 O ATOM 605 CB ASP A 37 -11.781 -6.531 7.330 1.00 0.00 C ATOM 606 CG ASP A 37 -11.836 -5.019 7.416 1.00 0.00 C ATOM 607 OD1 ASP A 37 -12.728 -4.421 6.781 1.00 0.00 O ATOM 608 OD2 ASP A 37 -10.987 -4.433 8.121 1.00 0.00 O ATOM 0 H ASP A 37 -12.311 -9.069 7.264 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.870 -6.635 7.818 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -11.310 -6.927 8.230 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -11.153 -6.822 6.488 1.00 0.00 H new ATOM 613 N GLY A 38 -14.553 -7.876 5.320 1.00 0.00 N ATOM 614 CA GLY A 38 -15.073 -7.825 3.967 1.00 0.00 C ATOM 615 C GLY A 38 -14.055 -8.256 2.931 1.00 0.00 C ATOM 616 O GLY A 38 -13.707 -9.433 2.843 1.00 0.00 O ATOM 0 H GLY A 38 -14.946 -8.615 5.903 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.951 -8.466 3.896 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.401 -6.809 3.747 1.00 0.00 H new ATOM 620 N HIS A 39 -13.593 -7.301 2.129 1.00 0.00 N ATOM 621 CA HIS A 39 -12.622 -7.588 1.076 1.00 0.00 C ATOM 622 C HIS A 39 -11.741 -6.341 0.824 1.00 0.00 C ATOM 623 O HIS A 39 -11.350 -5.672 1.779 1.00 0.00 O ATOM 624 CB HIS A 39 -13.394 -8.002 -0.179 1.00 0.00 C ATOM 625 CG HIS A 39 -14.330 -6.947 -0.605 1.00 0.00 C ATOM 626 ND1 HIS A 39 -15.278 -7.173 -1.561 1.00 0.00 N ATOM 627 CD2 HIS A 39 -14.384 -5.658 -0.204 1.00 0.00 C ATOM 628 CE1 HIS A 39 -15.878 -6.018 -1.723 1.00 0.00 C ATOM 629 NE2 HIS A 39 -15.365 -5.069 -0.923 1.00 0.00 N ATOM 0 H HIS A 39 -13.875 -6.322 2.187 1.00 0.00 H new ATOM 0 HA HIS A 39 -11.956 -8.400 1.367 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -12.693 -8.216 -0.986 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -13.945 -8.922 0.017 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -13.764 -5.189 0.546 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -16.688 -5.850 -2.417 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -15.659 -4.094 -0.869 1.00 0.00 H new ATOM 637 N ILE A 40 -11.444 -6.007 -0.447 1.00 0.00 N ATOM 638 CA ILE A 40 -10.629 -4.816 -0.749 1.00 0.00 C ATOM 639 C ILE A 40 -10.333 -4.659 -2.250 1.00 0.00 C ATOM 640 O ILE A 40 -9.540 -5.411 -2.816 1.00 0.00 O ATOM 641 CB ILE A 40 -9.282 -4.841 0.016 1.00 0.00 C ATOM 642 CG1 ILE A 40 -8.508 -3.536 -0.212 1.00 0.00 C ATOM 643 CG2 ILE A 40 -8.444 -6.039 -0.410 1.00 0.00 C ATOM 644 CD1 ILE A 40 -8.587 -2.578 0.955 1.00 0.00 C ATOM 0 H ILE A 40 -11.749 -6.533 -1.266 1.00 0.00 H new ATOM 0 HA ILE A 40 -11.228 -3.966 -0.422 1.00 0.00 H new ATOM 0 HB ILE A 40 -9.496 -4.933 1.081 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.462 -3.772 -0.408 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -8.896 -3.043 -1.104 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.502 -6.038 0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -8.988 -6.959 -0.195 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -8.241 -5.979 -1.479 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.018 -1.677 0.725 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -9.628 -2.312 1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.172 -3.053 1.844 1.00 0.00 H new ATOM 656 N ALA A 41 -10.993 -3.685 -2.894 1.00 0.00 N ATOM 657 CA ALA A 41 -10.818 -3.437 -4.334 1.00 0.00 C ATOM 658 C ALA A 41 -9.832 -2.336 -4.655 1.00 0.00 C ATOM 659 O ALA A 41 -10.058 -1.192 -4.328 1.00 0.00 O ATOM 660 CB ALA A 41 -12.156 -3.073 -4.963 1.00 0.00 C ATOM 0 H ALA A 41 -11.654 -3.055 -2.440 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.417 -4.364 -4.744 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.019 -2.891 -6.029 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.859 -3.894 -4.822 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.548 -2.174 -4.488 1.00 0.00 H new ATOM 666 N GLY A 42 -8.767 -2.694 -5.363 1.00 0.00 N ATOM 667 CA GLY A 42 -7.776 -1.714 -5.762 1.00 0.00 C ATOM 668 C GLY A 42 -6.464 -1.896 -5.021 1.00 0.00 C ATOM 669 O GLY A 42 -6.432 -2.523 -3.963 1.00 0.00 O ATOM 0 H GLY A 42 -8.572 -3.648 -5.668 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.600 -1.793 -6.835 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.162 -0.712 -5.575 1.00 0.00 H new ATOM 673 N SER A 43 -5.381 -1.348 -5.571 1.00 0.00 N ATOM 674 CA SER A 43 -4.068 -1.458 -4.946 1.00 0.00 C ATOM 675 C SER A 43 -3.711 -2.917 -4.652 1.00 0.00 C ATOM 676 O SER A 43 -4.554 -3.806 -4.755 1.00 0.00 O ATOM 677 CB SER A 43 -4.038 -0.638 -3.661 1.00 0.00 C ATOM 678 OG SER A 43 -5.071 0.336 -3.652 1.00 0.00 O ATOM 0 H SER A 43 -5.389 -0.825 -6.447 1.00 0.00 H new ATOM 0 HA SER A 43 -3.325 -1.068 -5.642 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.150 -1.299 -2.801 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.070 -0.147 -3.562 1.00 0.00 H new ATOM 0 HG SER A 43 -5.353 0.505 -2.729 1.00 0.00 H new ATOM 684 N LEU A 44 -2.453 -3.159 -4.286 1.00 0.00 N ATOM 685 CA LEU A 44 -2.001 -4.513 -3.980 1.00 0.00 C ATOM 686 C LEU A 44 -2.261 -4.851 -2.514 1.00 0.00 C ATOM 687 O LEU A 44 -1.825 -4.132 -1.616 1.00 0.00 O ATOM 688 CB LEU A 44 -0.511 -4.669 -4.295 1.00 0.00 C ATOM 689 CG LEU A 44 -0.145 -4.592 -5.780 1.00 0.00 C ATOM 690 CD1 LEU A 44 1.360 -4.440 -5.949 1.00 0.00 C ATOM 691 CD2 LEU A 44 -0.643 -5.825 -6.518 1.00 0.00 C ATOM 0 H LEU A 44 -1.735 -2.441 -4.195 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.566 -5.205 -4.604 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.039 -3.894 -3.761 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.172 -5.628 -3.903 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.631 -3.716 -6.210 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.603 -4.387 -7.010 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.691 -3.527 -5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.865 -5.297 -5.504 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.374 -5.752 -7.572 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.186 -6.716 -6.087 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.727 -5.892 -6.425 1.00 0.00 H new ATOM 703 N HIS A 45 -2.980 -5.948 -2.279 1.00 0.00 N ATOM 704 CA HIS A 45 -3.301 -6.372 -0.919 1.00 0.00 C ATOM 705 C HIS A 45 -2.693 -7.737 -0.600 1.00 0.00 C ATOM 706 O HIS A 45 -2.673 -8.637 -1.439 1.00 0.00 O ATOM 707 CB HIS A 45 -4.819 -6.415 -0.717 1.00 0.00 C ATOM 708 CG HIS A 45 -5.499 -7.528 -1.457 1.00 0.00 C ATOM 709 ND1 HIS A 45 -5.924 -8.689 -0.845 1.00 0.00 N ATOM 710 CD2 HIS A 45 -5.829 -7.651 -2.764 1.00 0.00 C ATOM 711 CE1 HIS A 45 -6.484 -9.479 -1.744 1.00 0.00 C ATOM 712 NE2 HIS A 45 -6.441 -8.872 -2.915 1.00 0.00 N ATOM 0 H HIS A 45 -3.349 -6.556 -3.010 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.869 -5.641 -0.235 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.031 -6.516 0.347 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.245 -5.465 -1.038 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.646 -6.925 -3.542 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.905 -10.455 -1.553 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.804 -9.248 -3.791 1.00 0.00 H new ATOM 721 N TYR A 46 -2.216 -7.880 0.632 1.00 0.00 N ATOM 722 CA TYR A 46 -1.619 -9.125 1.102 1.00 0.00 C ATOM 723 C TYR A 46 -1.233 -8.989 2.573 1.00 0.00 C ATOM 724 O TYR A 46 -1.767 -8.131 3.272 1.00 0.00 O ATOM 725 CB TYR A 46 -0.409 -9.516 0.238 1.00 0.00 C ATOM 726 CG TYR A 46 0.879 -8.796 0.581 1.00 0.00 C ATOM 727 CD1 TYR A 46 0.918 -7.414 0.704 1.00 0.00 C ATOM 728 CD2 TYR A 46 2.058 -9.506 0.773 1.00 0.00 C ATOM 729 CE1 TYR A 46 2.096 -6.759 1.009 1.00 0.00 C ATOM 730 CE2 TYR A 46 3.239 -8.859 1.079 1.00 0.00 C ATOM 731 CZ TYR A 46 3.254 -7.485 1.196 1.00 0.00 C ATOM 732 OH TYR A 46 4.428 -6.836 1.500 1.00 0.00 O ATOM 0 H TYR A 46 -2.232 -7.138 1.332 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.353 -9.926 1.010 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.245 -10.589 0.333 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -0.649 -9.322 -0.807 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.014 -6.842 0.559 1.00 0.00 H new ATOM 0 HD2 TYR A 46 2.051 -10.582 0.681 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.110 -5.683 1.101 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.146 -9.426 1.226 1.00 0.00 H new ATOM 0 HH TYR A 46 5.148 -7.493 1.600 1.00 0.00 H new ATOM 742 N ALA A 47 -0.333 -9.843 3.050 1.00 0.00 N ATOM 743 CA ALA A 47 0.082 -9.803 4.448 1.00 0.00 C ATOM 744 C ALA A 47 1.518 -10.283 4.646 1.00 0.00 C ATOM 745 O ALA A 47 2.337 -10.234 3.727 1.00 0.00 O ATOM 746 CB ALA A 47 -0.852 -10.659 5.268 1.00 0.00 C ATOM 0 H ALA A 47 0.121 -10.567 2.493 1.00 0.00 H new ATOM 0 HA ALA A 47 0.040 -8.764 4.774 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.546 -10.632 6.314 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.869 -10.277 5.178 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.817 -11.686 4.906 1.00 0.00 H new ATOM 752 N SER A 48 1.809 -10.758 5.862 1.00 0.00 N ATOM 753 CA SER A 48 3.133 -11.261 6.200 1.00 0.00 C ATOM 754 C SER A 48 3.261 -12.743 5.863 1.00 0.00 C ATOM 755 O SER A 48 4.115 -13.444 6.406 1.00 0.00 O ATOM 756 CB SER A 48 3.425 -11.034 7.685 1.00 0.00 C ATOM 757 OG SER A 48 2.915 -9.786 8.120 1.00 0.00 O ATOM 0 H SER A 48 1.137 -10.802 6.628 1.00 0.00 H new ATOM 0 HA SER A 48 3.863 -10.711 5.605 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.981 -11.837 8.273 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.501 -11.071 7.857 1.00 0.00 H new ATOM 0 HG SER A 48 3.113 -9.666 9.072 1.00 0.00 H new ATOM 763 N GLY A 49 2.422 -13.206 4.946 1.00 0.00 N ATOM 764 CA GLY A 49 2.469 -14.590 4.524 1.00 0.00 C ATOM 765 C GLY A 49 3.385 -14.758 3.335 1.00 0.00 C ATOM 766 O GLY A 49 4.032 -15.792 3.170 1.00 0.00 O ATOM 0 H GLY A 49 1.707 -12.644 4.485 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.816 -15.214 5.347 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.466 -14.931 4.267 1.00 0.00 H new ATOM 770 N SER A 50 3.449 -13.714 2.513 1.00 0.00 N ATOM 771 CA SER A 50 4.302 -13.707 1.336 1.00 0.00 C ATOM 772 C SER A 50 5.238 -12.504 1.359 1.00 0.00 C ATOM 773 O SER A 50 5.912 -12.210 0.372 1.00 0.00 O ATOM 774 CB SER A 50 3.459 -13.684 0.063 1.00 0.00 C ATOM 775 OG SER A 50 3.038 -12.367 -0.249 1.00 0.00 O ATOM 0 H SER A 50 2.913 -12.856 2.646 1.00 0.00 H new ATOM 0 HA SER A 50 4.900 -14.618 1.346 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.038 -14.090 -0.767 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.588 -14.327 0.189 1.00 0.00 H new ATOM 0 HG SER A 50 2.502 -12.381 -1.069 1.00 0.00 H new ATOM 781 N PHE A 51 5.292 -11.818 2.502 1.00 0.00 N ATOM 782 CA PHE A 51 6.161 -10.664 2.656 1.00 0.00 C ATOM 783 C PHE A 51 7.618 -11.081 2.538 1.00 0.00 C ATOM 784 O PHE A 51 8.504 -10.236 2.444 1.00 0.00 O ATOM 785 CB PHE A 51 5.922 -9.985 4.008 1.00 0.00 C ATOM 786 CG PHE A 51 6.610 -10.671 5.157 1.00 0.00 C ATOM 787 CD1 PHE A 51 6.264 -11.962 5.522 1.00 0.00 C ATOM 788 CD2 PHE A 51 7.609 -10.025 5.869 1.00 0.00 C ATOM 789 CE1 PHE A 51 6.896 -12.595 6.575 1.00 0.00 C ATOM 790 CE2 PHE A 51 8.246 -10.652 6.923 1.00 0.00 C ATOM 791 CZ PHE A 51 7.888 -11.939 7.277 1.00 0.00 C ATOM 0 H PHE A 51 4.742 -12.046 3.330 1.00 0.00 H new ATOM 0 HA PHE A 51 5.929 -9.954 1.862 1.00 0.00 H new ATOM 0 HB2 PHE A 51 6.267 -8.953 3.953 1.00 0.00 H new ATOM 0 HB3 PHE A 51 4.850 -9.952 4.204 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.490 -12.481 4.976 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.893 -9.019 5.597 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.615 -13.601 6.849 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.022 -10.137 7.469 1.00 0.00 H new ATOM 0 HZ PHE A 51 8.383 -12.431 8.101 1.00 0.00 H new ATOM 801 N ASP A 52 7.855 -12.392 2.553 1.00 0.00 N ATOM 802 CA ASP A 52 9.202 -12.922 2.449 1.00 0.00 C ATOM 803 C ASP A 52 9.343 -13.836 1.232 1.00 0.00 C ATOM 804 O ASP A 52 10.407 -14.405 0.996 1.00 0.00 O ATOM 805 CB ASP A 52 9.578 -13.681 3.723 1.00 0.00 C ATOM 806 CG ASP A 52 8.603 -14.799 4.040 1.00 0.00 C ATOM 807 OD1 ASP A 52 7.474 -14.771 3.509 1.00 0.00 O ATOM 808 OD2 ASP A 52 8.970 -15.702 4.821 1.00 0.00 O ATOM 0 H ASP A 52 7.127 -13.102 2.636 1.00 0.00 H new ATOM 0 HA ASP A 52 9.883 -12.080 2.324 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.580 -14.097 3.613 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.612 -12.984 4.561 1.00 0.00 H new ATOM 813 N ASP A 53 8.266 -13.965 0.458 1.00 0.00 N ATOM 814 CA ASP A 53 8.280 -14.801 -0.734 1.00 0.00 C ATOM 815 C ASP A 53 8.030 -13.966 -1.987 1.00 0.00 C ATOM 816 O ASP A 53 8.100 -14.477 -3.105 1.00 0.00 O ATOM 817 CB ASP A 53 7.231 -15.909 -0.618 1.00 0.00 C ATOM 818 CG ASP A 53 7.849 -17.293 -0.667 1.00 0.00 C ATOM 819 OD1 ASP A 53 8.508 -17.613 -1.678 1.00 0.00 O ATOM 820 OD2 ASP A 53 7.676 -18.054 0.308 1.00 0.00 O ATOM 0 H ASP A 53 7.376 -13.501 0.638 1.00 0.00 H new ATOM 0 HA ASP A 53 9.266 -15.257 -0.818 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.683 -15.791 0.317 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.507 -15.808 -1.427 1.00 0.00 H new ATOM 825 N LYS A 54 7.747 -12.679 -1.799 1.00 0.00 N ATOM 826 CA LYS A 54 7.501 -11.783 -2.922 1.00 0.00 C ATOM 827 C LYS A 54 8.621 -10.753 -3.032 1.00 0.00 C ATOM 828 O LYS A 54 8.460 -9.699 -3.647 1.00 0.00 O ATOM 829 CB LYS A 54 6.153 -11.080 -2.748 1.00 0.00 C ATOM 830 CG LYS A 54 4.986 -11.817 -3.391 1.00 0.00 C ATOM 831 CD LYS A 54 4.981 -13.298 -3.038 1.00 0.00 C ATOM 832 CE LYS A 54 5.508 -14.146 -4.184 1.00 0.00 C ATOM 833 NZ LYS A 54 4.413 -14.619 -5.075 1.00 0.00 N ATOM 0 H LYS A 54 7.683 -12.236 -0.882 1.00 0.00 H new ATOM 0 HA LYS A 54 7.476 -12.370 -3.840 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.952 -10.959 -1.684 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.218 -10.079 -3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.049 -11.364 -3.067 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.038 -11.703 -4.474 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.592 -13.464 -2.151 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.967 -13.610 -2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.224 -13.565 -4.766 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.046 -15.005 -3.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.814 -15.194 -5.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.743 -15.195 -4.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.916 -13.800 -5.479 1.00 0.00 H new ATOM 847 N ILE A 55 9.758 -11.074 -2.414 1.00 0.00 N ATOM 848 CA ILE A 55 10.908 -10.186 -2.426 1.00 0.00 C ATOM 849 C ILE A 55 11.595 -10.222 -3.782 1.00 0.00 C ATOM 850 O ILE A 55 12.096 -9.212 -4.274 1.00 0.00 O ATOM 851 CB ILE A 55 11.931 -10.522 -1.310 1.00 0.00 C ATOM 852 CG1 ILE A 55 11.277 -11.309 -0.176 1.00 0.00 C ATOM 853 CG2 ILE A 55 12.533 -9.242 -0.755 1.00 0.00 C ATOM 854 CD1 ILE A 55 10.066 -10.614 0.398 1.00 0.00 C ATOM 0 H ILE A 55 9.902 -11.943 -1.900 1.00 0.00 H new ATOM 0 HA ILE A 55 10.531 -9.182 -2.233 1.00 0.00 H new ATOM 0 HB ILE A 55 12.715 -11.138 -1.750 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.985 -12.292 -0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.008 -11.469 0.617 1.00 0.00 H new ATOM 0 HG21 ILE A 55 13.250 -9.487 0.028 1.00 0.00 H new ATOM 0 HG22 ILE A 55 13.039 -8.702 -1.555 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.742 -8.618 -0.340 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.644 -11.221 1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.358 -9.642 0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.320 -10.477 -0.385 1.00 0.00 H new ATOM 866 N SER A 56 11.582 -11.401 -4.385 1.00 0.00 N ATOM 867 CA SER A 56 12.170 -11.598 -5.702 1.00 0.00 C ATOM 868 C SER A 56 11.164 -11.239 -6.779 1.00 0.00 C ATOM 869 O SER A 56 11.500 -11.102 -7.954 1.00 0.00 O ATOM 870 CB SER A 56 12.655 -13.039 -5.878 1.00 0.00 C ATOM 871 OG SER A 56 13.840 -13.274 -5.138 1.00 0.00 O ATOM 0 H SER A 56 11.168 -12.241 -3.981 1.00 0.00 H new ATOM 0 HA SER A 56 13.035 -10.941 -5.794 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.877 -13.730 -5.553 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.837 -13.238 -6.934 1.00 0.00 H new ATOM 0 HG SER A 56 14.127 -14.202 -5.267 1.00 0.00 H new ATOM 877 N HIS A 57 9.932 -11.067 -6.344 1.00 0.00 N ATOM 878 CA HIS A 57 8.837 -10.695 -7.218 1.00 0.00 C ATOM 879 C HIS A 57 8.972 -9.233 -7.604 1.00 0.00 C ATOM 880 O HIS A 57 8.959 -8.878 -8.783 1.00 0.00 O ATOM 881 CB HIS A 57 7.509 -10.928 -6.499 1.00 0.00 C ATOM 882 CG HIS A 57 6.476 -11.597 -7.350 1.00 0.00 C ATOM 883 ND1 HIS A 57 6.789 -12.534 -8.312 1.00 0.00 N ATOM 884 CD2 HIS A 57 5.128 -11.463 -7.382 1.00 0.00 C ATOM 885 CE1 HIS A 57 5.681 -12.947 -8.900 1.00 0.00 C ATOM 886 NE2 HIS A 57 4.659 -12.312 -8.354 1.00 0.00 N ATOM 0 H HIS A 57 9.660 -11.182 -5.368 1.00 0.00 H new ATOM 0 HA HIS A 57 8.864 -11.305 -8.121 1.00 0.00 H new ATOM 0 HB2 HIS A 57 7.687 -11.537 -5.613 1.00 0.00 H new ATOM 0 HB3 HIS A 57 7.119 -9.970 -6.155 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.534 -10.811 -6.760 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.621 -13.679 -9.692 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.680 -12.433 -8.613 1.00 0.00 H new ATOM 895 N LEU A 58 9.137 -8.391 -6.588 1.00 0.00 N ATOM 896 CA LEU A 58 9.313 -6.967 -6.815 1.00 0.00 C ATOM 897 C LEU A 58 10.684 -6.733 -7.428 1.00 0.00 C ATOM 898 O LEU A 58 10.889 -5.788 -8.189 1.00 0.00 O ATOM 899 CB LEU A 58 9.165 -6.185 -5.507 1.00 0.00 C ATOM 900 CG LEU A 58 7.801 -5.522 -5.299 1.00 0.00 C ATOM 901 CD1 LEU A 58 7.587 -4.413 -6.317 1.00 0.00 C ATOM 902 CD2 LEU A 58 6.688 -6.555 -5.390 1.00 0.00 C ATOM 0 H LEU A 58 9.152 -8.671 -5.607 1.00 0.00 H new ATOM 0 HA LEU A 58 8.542 -6.612 -7.499 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.354 -6.862 -4.674 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.935 -5.415 -5.473 1.00 0.00 H new ATOM 0 HG LEU A 58 7.780 -5.081 -4.302 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.612 -3.953 -6.154 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.367 -3.660 -6.204 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.628 -4.830 -7.323 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.725 -6.067 -5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.707 -7.025 -6.373 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.833 -7.315 -4.622 1.00 0.00 H new ATOM 914 N VAL A 59 11.614 -7.631 -7.107 1.00 0.00 N ATOM 915 CA VAL A 59 12.960 -7.561 -7.639 1.00 0.00 C ATOM 916 C VAL A 59 12.931 -7.922 -9.120 1.00 0.00 C ATOM 917 O VAL A 59 13.649 -7.341 -9.935 1.00 0.00 O ATOM 918 CB VAL A 59 13.908 -8.503 -6.859 1.00 0.00 C ATOM 919 CG1 VAL A 59 14.618 -9.487 -7.779 1.00 0.00 C ATOM 920 CG2 VAL A 59 14.912 -7.694 -6.052 1.00 0.00 C ATOM 0 H VAL A 59 11.452 -8.417 -6.477 1.00 0.00 H new ATOM 0 HA VAL A 59 13.341 -6.546 -7.525 1.00 0.00 H new ATOM 0 HB VAL A 59 13.298 -9.090 -6.173 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.273 -10.129 -7.190 1.00 0.00 H new ATOM 0 HG12 VAL A 59 13.879 -10.100 -8.296 1.00 0.00 H new ATOM 0 HG13 VAL A 59 15.211 -8.938 -8.511 1.00 0.00 H new ATOM 0 HG21 VAL A 59 15.572 -8.371 -5.509 1.00 0.00 H new ATOM 0 HG22 VAL A 59 15.503 -7.073 -6.725 1.00 0.00 H new ATOM 0 HG23 VAL A 59 14.381 -7.058 -5.343 1.00 0.00 H new ATOM 930 N GLN A 60 12.069 -8.877 -9.456 1.00 0.00 N ATOM 931 CA GLN A 60 11.902 -9.318 -10.833 1.00 0.00 C ATOM 932 C GLN A 60 11.278 -8.212 -11.671 1.00 0.00 C ATOM 933 O GLN A 60 11.406 -8.198 -12.895 1.00 0.00 O ATOM 934 CB GLN A 60 11.020 -10.569 -10.887 1.00 0.00 C ATOM 935 CG GLN A 60 11.776 -11.831 -11.263 1.00 0.00 C ATOM 936 CD GLN A 60 11.409 -13.018 -10.396 1.00 0.00 C ATOM 937 OE1 GLN A 60 10.650 -12.891 -9.435 1.00 0.00 O ATOM 938 NE2 GLN A 60 11.945 -14.186 -10.734 1.00 0.00 N ATOM 0 H GLN A 60 11.472 -9.362 -8.786 1.00 0.00 H new ATOM 0 HA GLN A 60 12.885 -9.558 -11.239 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.549 -10.714 -9.914 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.219 -10.407 -11.608 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.573 -12.073 -12.306 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.847 -11.645 -11.181 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.569 -14.247 -11.538 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.732 -15.022 -10.189 1.00 0.00 H new ATOM 947 N ASN A 61 10.591 -7.291 -11.002 1.00 0.00 N ATOM 948 CA ASN A 61 9.936 -6.189 -11.685 1.00 0.00 C ATOM 949 C ASN A 61 10.768 -4.913 -11.581 1.00 0.00 C ATOM 950 O ASN A 61 11.391 -4.491 -12.555 1.00 0.00 O ATOM 951 CB ASN A 61 8.542 -5.973 -11.098 1.00 0.00 C ATOM 952 CG ASN A 61 7.553 -7.037 -11.545 1.00 0.00 C ATOM 953 OD1 ASN A 61 6.405 -6.732 -11.867 1.00 0.00 O ATOM 954 ND2 ASN A 61 7.990 -8.297 -11.567 1.00 0.00 N ATOM 0 H ASN A 61 10.476 -7.289 -9.989 1.00 0.00 H new ATOM 0 HA ASN A 61 9.840 -6.439 -12.742 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.605 -5.974 -10.010 1.00 0.00 H new ATOM 0 HB3 ASN A 61 8.174 -4.991 -11.395 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.365 -9.049 -11.858 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.949 -8.509 -11.293 1.00 0.00 H new ATOM 961 N VAL A 62 10.779 -4.308 -10.392 1.00 0.00 N ATOM 962 CA VAL A 62 11.540 -3.079 -10.148 1.00 0.00 C ATOM 963 C VAL A 62 11.453 -2.122 -11.334 1.00 0.00 C ATOM 964 O VAL A 62 12.422 -1.445 -11.678 1.00 0.00 O ATOM 965 CB VAL A 62 13.023 -3.379 -9.851 1.00 0.00 C ATOM 966 CG1 VAL A 62 13.191 -3.888 -8.426 1.00 0.00 C ATOM 967 CG2 VAL A 62 13.583 -4.379 -10.853 1.00 0.00 C ATOM 0 H VAL A 62 10.267 -4.650 -9.579 1.00 0.00 H new ATOM 0 HA VAL A 62 11.091 -2.607 -9.274 1.00 0.00 H new ATOM 0 HB VAL A 62 13.586 -2.451 -9.950 1.00 0.00 H new ATOM 0 HG11 VAL A 62 14.244 -4.094 -8.235 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.836 -3.132 -7.725 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.613 -4.803 -8.296 1.00 0.00 H new ATOM 0 HG21 VAL A 62 14.630 -4.576 -10.624 1.00 0.00 H new ATOM 0 HG22 VAL A 62 13.018 -5.309 -10.794 1.00 0.00 H new ATOM 0 HG23 VAL A 62 13.502 -3.969 -11.860 1.00 0.00 H new ATOM 977 N LYS A 63 10.283 -2.087 -11.959 1.00 0.00 N ATOM 978 CA LYS A 63 10.052 -1.232 -13.120 1.00 0.00 C ATOM 979 C LYS A 63 10.313 0.242 -12.818 1.00 0.00 C ATOM 980 O LYS A 63 10.480 1.045 -13.737 1.00 0.00 O ATOM 981 CB LYS A 63 8.620 -1.403 -13.622 1.00 0.00 C ATOM 982 CG LYS A 63 8.488 -1.253 -15.130 1.00 0.00 C ATOM 983 CD LYS A 63 8.191 -2.584 -15.806 1.00 0.00 C ATOM 984 CE LYS A 63 6.876 -2.540 -16.567 1.00 0.00 C ATOM 985 NZ LYS A 63 6.810 -1.371 -17.486 1.00 0.00 N ATOM 0 H LYS A 63 9.475 -2.643 -11.681 1.00 0.00 H new ATOM 0 HA LYS A 63 10.758 -1.543 -13.890 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.255 -2.387 -13.329 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.981 -0.667 -13.134 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.691 -0.544 -15.357 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.410 -0.837 -15.536 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.001 -2.834 -16.491 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.152 -3.374 -15.056 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.756 -3.460 -17.139 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.048 -2.494 -15.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.245 -1.619 -18.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.368 -0.568 -16.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.771 -1.108 -17.783 1.00 0.00 H new ATOM 999 N ASP A 64 10.330 0.607 -11.541 1.00 0.00 N ATOM 1000 CA ASP A 64 10.550 1.999 -11.159 1.00 0.00 C ATOM 1001 C ASP A 64 9.448 2.874 -11.743 1.00 0.00 C ATOM 1002 O ASP A 64 9.646 4.062 -11.998 1.00 0.00 O ATOM 1003 CB ASP A 64 11.918 2.478 -11.646 1.00 0.00 C ATOM 1004 CG ASP A 64 13.004 2.261 -10.613 1.00 0.00 C ATOM 1005 OD1 ASP A 64 12.674 2.202 -9.409 1.00 0.00 O ATOM 1006 OD2 ASP A 64 14.184 2.150 -11.005 1.00 0.00 O ATOM 0 H ASP A 64 10.196 -0.034 -10.759 1.00 0.00 H new ATOM 0 HA ASP A 64 10.527 2.073 -10.072 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.180 1.949 -12.562 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.862 3.538 -11.894 1.00 0.00 H new ATOM 1011 N LYS A 65 8.290 2.262 -11.968 1.00 0.00 N ATOM 1012 CA LYS A 65 7.142 2.952 -12.541 1.00 0.00 C ATOM 1013 C LYS A 65 6.389 3.782 -11.508 1.00 0.00 C ATOM 1014 O LYS A 65 6.540 4.996 -11.453 1.00 0.00 O ATOM 1015 CB LYS A 65 6.204 1.925 -13.218 1.00 0.00 C ATOM 1016 CG LYS A 65 4.722 2.297 -13.256 1.00 0.00 C ATOM 1017 CD LYS A 65 4.076 1.895 -14.573 1.00 0.00 C ATOM 1018 CE LYS A 65 3.597 0.451 -14.545 1.00 0.00 C ATOM 1019 NZ LYS A 65 2.148 0.343 -14.864 1.00 0.00 N ATOM 0 H LYS A 65 8.122 1.278 -11.759 1.00 0.00 H new ATOM 0 HA LYS A 65 7.511 3.653 -13.290 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.546 1.769 -14.241 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.306 0.972 -12.699 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.203 1.808 -12.432 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.612 3.372 -13.110 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.233 2.554 -14.782 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.792 2.026 -15.385 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.172 -0.136 -15.261 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.785 0.025 -13.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.860 -0.656 -14.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.598 0.883 -14.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.972 0.726 -15.815 1.00 0.00 H new ATOM 1033 N ASP A 66 5.502 3.125 -10.782 1.00 0.00 N ATOM 1034 CA ASP A 66 4.608 3.772 -9.830 1.00 0.00 C ATOM 1035 C ASP A 66 5.096 3.944 -8.411 1.00 0.00 C ATOM 1036 O ASP A 66 5.866 3.151 -7.879 1.00 0.00 O ATOM 1037 CB ASP A 66 3.330 2.978 -9.773 1.00 0.00 C ATOM 1038 CG ASP A 66 3.545 1.563 -9.272 1.00 0.00 C ATOM 1039 OD1 ASP A 66 4.717 1.151 -9.149 1.00 0.00 O ATOM 1040 OD2 ASP A 66 2.543 0.868 -9.002 1.00 0.00 O ATOM 0 H ASP A 66 5.378 2.114 -10.836 1.00 0.00 H new ATOM 0 HA ASP A 66 4.504 4.787 -10.214 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.619 3.486 -9.121 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.883 2.944 -10.767 1.00 0.00 H new ATOM 1045 N THR A 67 4.536 4.978 -7.793 1.00 0.00 N ATOM 1046 CA THR A 67 4.788 5.307 -6.403 1.00 0.00 C ATOM 1047 C THR A 67 3.730 4.616 -5.574 1.00 0.00 C ATOM 1048 O THR A 67 2.549 4.686 -5.901 1.00 0.00 O ATOM 1049 CB THR A 67 4.724 6.830 -6.183 1.00 0.00 C ATOM 1050 OG1 THR A 67 4.106 7.138 -4.945 1.00 0.00 O ATOM 1051 CG2 THR A 67 3.972 7.581 -7.268 1.00 0.00 C ATOM 0 H THR A 67 3.887 5.617 -8.253 1.00 0.00 H new ATOM 0 HA THR A 67 5.785 4.975 -6.112 1.00 0.00 H new ATOM 0 HB THR A 67 5.765 7.154 -6.202 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.792 7.381 -4.289 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.972 8.647 -7.040 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.459 7.416 -8.229 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.945 7.220 -7.315 1.00 0.00 H new ATOM 1059 N LEU A 68 4.141 3.918 -4.530 1.00 0.00 N ATOM 1060 CA LEU A 68 3.177 3.192 -3.721 1.00 0.00 C ATOM 1061 C LEU A 68 3.144 3.655 -2.278 1.00 0.00 C ATOM 1062 O LEU A 68 4.180 3.776 -1.626 1.00 0.00 O ATOM 1063 CB LEU A 68 3.454 1.688 -3.790 1.00 0.00 C ATOM 1064 CG LEU A 68 2.787 0.972 -4.969 1.00 0.00 C ATOM 1065 CD1 LEU A 68 3.794 0.669 -6.065 1.00 0.00 C ATOM 1066 CD2 LEU A 68 2.106 -0.307 -4.508 1.00 0.00 C ATOM 0 H LEU A 68 5.112 3.838 -4.227 1.00 0.00 H new ATOM 0 HA LEU A 68 2.193 3.404 -4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.531 1.532 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.116 1.226 -2.862 1.00 0.00 H new ATOM 0 HG LEU A 68 2.029 1.640 -5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.293 0.161 -6.889 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.231 1.600 -6.425 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.581 0.028 -5.669 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.639 -0.799 -5.362 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.846 -0.974 -4.065 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.344 -0.067 -3.766 1.00 0.00 H new ATOM 1078 N VAL A 69 1.929 3.878 -1.774 1.00 0.00 N ATOM 1079 CA VAL A 69 1.753 4.284 -0.391 1.00 0.00 C ATOM 1080 C VAL A 69 1.295 3.081 0.408 1.00 0.00 C ATOM 1081 O VAL A 69 0.254 2.504 0.110 1.00 0.00 O ATOM 1082 CB VAL A 69 0.713 5.416 -0.248 1.00 0.00 C ATOM 1083 CG1 VAL A 69 1.203 6.688 -0.928 1.00 0.00 C ATOM 1084 CG2 VAL A 69 -0.636 4.985 -0.811 1.00 0.00 C ATOM 0 H VAL A 69 1.062 3.784 -2.303 1.00 0.00 H new ATOM 0 HA VAL A 69 2.705 4.663 -0.021 1.00 0.00 H new ATOM 0 HB VAL A 69 0.584 5.628 0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.455 7.472 -0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.138 7.009 -0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.368 6.494 -1.988 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.353 5.798 -0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.528 4.739 -1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.993 4.109 -0.269 1.00 0.00 H new ATOM 1094 N PHE A 70 2.071 2.687 1.404 1.00 0.00 N ATOM 1095 CA PHE A 70 1.717 1.514 2.190 1.00 0.00 C ATOM 1096 C PHE A 70 1.126 1.875 3.541 1.00 0.00 C ATOM 1097 O PHE A 70 1.404 2.944 4.083 1.00 0.00 O ATOM 1098 CB PHE A 70 2.946 0.620 2.386 1.00 0.00 C ATOM 1099 CG PHE A 70 3.979 1.198 3.312 1.00 0.00 C ATOM 1100 CD1 PHE A 70 4.826 2.208 2.885 1.00 0.00 C ATOM 1101 CD2 PHE A 70 4.102 0.730 4.611 1.00 0.00 C ATOM 1102 CE1 PHE A 70 5.777 2.741 3.736 1.00 0.00 C ATOM 1103 CE2 PHE A 70 5.052 1.259 5.466 1.00 0.00 C ATOM 1104 CZ PHE A 70 5.889 2.265 5.028 1.00 0.00 C ATOM 0 H PHE A 70 2.935 3.151 1.685 1.00 0.00 H new ATOM 0 HA PHE A 70 0.951 0.976 1.632 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.622 -0.345 2.776 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.406 0.434 1.416 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.743 2.583 1.876 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.449 -0.056 4.959 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.431 3.528 3.391 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.139 0.885 6.475 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.631 2.680 5.695 1.00 0.00 H new ATOM 1114 N HIS A 71 0.323 0.942 4.069 1.00 0.00 N ATOM 1115 CA HIS A 71 -0.341 1.073 5.384 1.00 0.00 C ATOM 1116 C HIS A 71 -1.844 0.820 5.269 1.00 0.00 C ATOM 1117 O HIS A 71 -2.308 -0.294 5.513 1.00 0.00 O ATOM 1118 CB HIS A 71 -0.106 2.447 6.038 1.00 0.00 C ATOM 1119 CG HIS A 71 1.230 2.589 6.705 1.00 0.00 C ATOM 1120 ND1 HIS A 71 1.613 3.725 7.391 1.00 0.00 N ATOM 1121 CD2 HIS A 71 2.277 1.734 6.786 1.00 0.00 C ATOM 1122 CE1 HIS A 71 2.837 3.561 7.861 1.00 0.00 C ATOM 1123 NE2 HIS A 71 3.262 2.362 7.509 1.00 0.00 N ATOM 0 H HIS A 71 0.110 0.064 3.595 1.00 0.00 H new ATOM 0 HA HIS A 71 0.112 0.316 6.024 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.204 3.221 5.277 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.889 2.625 6.776 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.328 0.742 6.361 1.00 0.00 H new ATOM 0 HE1 HIS A 71 3.395 4.285 8.436 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.174 1.966 7.737 1.00 0.00 H new ATOM 1132 N SER A 72 -2.587 1.874 4.910 1.00 0.00 N ATOM 1133 CA SER A 72 -4.050 1.835 4.760 1.00 0.00 C ATOM 1134 C SER A 72 -4.725 2.616 5.887 1.00 0.00 C ATOM 1135 O SER A 72 -5.928 2.485 6.112 1.00 0.00 O ATOM 1136 CB SER A 72 -4.595 0.403 4.722 1.00 0.00 C ATOM 1137 OG SER A 72 -4.693 -0.137 6.029 1.00 0.00 O ATOM 0 H SER A 72 -2.185 2.791 4.713 1.00 0.00 H new ATOM 0 HA SER A 72 -4.282 2.301 3.802 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.576 0.396 4.247 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.942 -0.223 4.114 1.00 0.00 H new ATOM 0 HG SER A 72 -5.635 -0.180 6.295 1.00 0.00 H new ATOM 1143 N ALA A 73 -3.940 3.438 6.582 1.00 0.00 N ATOM 1144 CA ALA A 73 -4.450 4.256 7.676 1.00 0.00 C ATOM 1145 C ALA A 73 -5.183 3.424 8.722 1.00 0.00 C ATOM 1146 O ALA A 73 -6.394 3.220 8.626 1.00 0.00 O ATOM 1147 CB ALA A 73 -5.368 5.340 7.138 1.00 0.00 C ATOM 0 H ALA A 73 -2.942 3.554 6.403 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.591 4.715 8.165 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.742 5.944 7.965 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.815 5.975 6.446 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.207 4.880 6.616 1.00 0.00 H new ATOM 1153 N LEU A 74 -4.446 2.962 9.729 1.00 0.00 N ATOM 1154 CA LEU A 74 -5.023 2.170 10.807 1.00 0.00 C ATOM 1155 C LEU A 74 -5.270 0.735 10.370 1.00 0.00 C ATOM 1156 O LEU A 74 -6.224 0.100 10.822 1.00 0.00 O ATOM 1157 CB LEU A 74 -6.331 2.798 11.300 1.00 0.00 C ATOM 1158 CG LEU A 74 -6.761 2.381 12.708 1.00 0.00 C ATOM 1159 CD1 LEU A 74 -6.254 3.379 13.738 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -8.275 2.252 12.786 1.00 0.00 C ATOM 0 H LEU A 74 -3.443 3.125 9.819 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.304 2.159 11.626 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.227 3.883 11.275 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -7.127 2.538 10.602 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.322 1.408 12.929 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.569 3.066 14.733 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.166 3.421 13.699 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.663 4.366 13.521 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.563 1.955 13.794 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.735 3.210 12.545 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.613 1.498 12.075 1.00 0.00 H new ATOM 1172 N SER A 75 -4.401 0.214 9.505 1.00 0.00 N ATOM 1173 CA SER A 75 -4.541 -1.162 9.040 1.00 0.00 C ATOM 1174 C SER A 75 -4.754 -2.092 10.231 1.00 0.00 C ATOM 1175 O SER A 75 -5.509 -3.059 10.153 1.00 0.00 O ATOM 1176 CB SER A 75 -3.301 -1.587 8.258 1.00 0.00 C ATOM 1177 OG SER A 75 -2.142 -1.529 9.071 1.00 0.00 O ATOM 0 H SER A 75 -3.603 0.717 9.117 1.00 0.00 H new ATOM 0 HA SER A 75 -5.406 -1.224 8.380 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.435 -2.601 7.881 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.174 -0.939 7.391 1.00 0.00 H new ATOM 0 HG SER A 75 -1.361 -1.807 8.548 1.00 0.00 H new ATOM 1183 N GLN A 76 -4.082 -1.758 11.335 1.00 0.00 N ATOM 1184 CA GLN A 76 -4.169 -2.518 12.590 1.00 0.00 C ATOM 1185 C GLN A 76 -2.987 -2.186 13.500 1.00 0.00 C ATOM 1186 O GLN A 76 -2.485 -3.052 14.217 1.00 0.00 O ATOM 1187 CB GLN A 76 -4.202 -4.033 12.333 1.00 0.00 C ATOM 1188 CG GLN A 76 -2.869 -4.614 11.879 1.00 0.00 C ATOM 1189 CD GLN A 76 -2.852 -4.967 10.406 1.00 0.00 C ATOM 1190 OE1 GLN A 76 -3.171 -6.092 10.022 1.00 0.00 O ATOM 1191 NE2 GLN A 76 -2.475 -4.005 9.572 1.00 0.00 N ATOM 0 H GLN A 76 -3.460 -0.951 11.387 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.100 -2.230 13.078 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.515 -4.539 13.246 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.956 -4.246 11.576 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.076 -3.895 12.084 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -2.649 -5.507 12.464 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.219 -3.087 9.935 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.441 -4.184 8.568 1.00 0.00 H new ATOM 1200 N VAL A 77 -2.529 -0.937 13.450 1.00 0.00 N ATOM 1201 CA VAL A 77 -1.388 -0.504 14.252 1.00 0.00 C ATOM 1202 C VAL A 77 -0.076 -1.059 13.687 1.00 0.00 C ATOM 1203 O VAL A 77 1.002 -0.774 14.208 1.00 0.00 O ATOM 1204 CB VAL A 77 -1.518 -0.938 15.726 1.00 0.00 C ATOM 1205 CG1 VAL A 77 -0.488 -0.219 16.583 1.00 0.00 C ATOM 1206 CG2 VAL A 77 -2.925 -0.681 16.242 1.00 0.00 C ATOM 0 H VAL A 77 -2.931 -0.207 12.862 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.377 0.585 14.208 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.328 -2.010 15.787 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.593 -0.536 17.621 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.514 -0.462 16.229 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.646 0.857 16.515 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.994 -0.995 17.284 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.151 0.383 16.168 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.640 -1.247 15.645 1.00 0.00 H new ATOM 1216 N ARG A 78 -0.175 -1.854 12.621 1.00 0.00 N ATOM 1217 CA ARG A 78 0.997 -2.448 11.992 1.00 0.00 C ATOM 1218 C ARG A 78 1.735 -1.439 11.135 1.00 0.00 C ATOM 1219 O ARG A 78 2.945 -1.350 11.229 1.00 0.00 O ATOM 1220 CB ARG A 78 0.592 -3.666 11.157 1.00 0.00 C ATOM 1221 CG ARG A 78 0.965 -5.003 11.786 1.00 0.00 C ATOM 1222 CD ARG A 78 0.556 -5.084 13.250 1.00 0.00 C ATOM 1223 NE ARG A 78 1.550 -5.792 14.054 1.00 0.00 N ATOM 1224 CZ ARG A 78 1.645 -5.688 15.377 1.00 0.00 C ATOM 1225 NH1 ARG A 78 0.803 -4.916 16.052 1.00 0.00 N ATOM 1226 NH2 ARG A 78 2.586 -6.360 16.028 1.00 0.00 N ATOM 0 H ARG A 78 -1.060 -2.100 12.177 1.00 0.00 H new ATOM 0 HA ARG A 78 1.674 -2.772 12.782 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.486 -3.641 10.996 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.063 -3.594 10.177 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.486 -5.810 11.231 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.041 -5.154 11.702 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.419 -4.077 13.645 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.405 -5.592 13.331 1.00 0.00 H new ATOM 0 HE ARG A 78 2.210 -6.402 13.572 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.077 -4.398 15.557 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.881 -4.841 17.066 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.235 -6.955 15.514 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.660 -6.281 17.042 1.00 0.00 H new ATOM 1240 N GLY A 79 1.007 -0.682 10.307 1.00 0.00 N ATOM 1241 CA GLY A 79 1.635 0.322 9.442 1.00 0.00 C ATOM 1242 C GLY A 79 3.160 0.246 9.449 1.00 0.00 C ATOM 1243 O GLY A 79 3.766 -0.270 8.510 1.00 0.00 O ATOM 0 H GLY A 79 -0.007 -0.744 10.218 1.00 0.00 H new ATOM 0 HA2 GLY A 79 1.275 0.191 8.422 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.325 1.316 9.764 1.00 0.00 H new ATOM 1247 N PRO A 80 3.804 0.734 10.529 1.00 0.00 N ATOM 1248 CA PRO A 80 5.261 0.687 10.669 1.00 0.00 C ATOM 1249 C PRO A 80 5.779 -0.743 10.547 1.00 0.00 C ATOM 1250 O PRO A 80 6.779 -0.991 9.875 1.00 0.00 O ATOM 1251 CB PRO A 80 5.517 1.235 12.080 1.00 0.00 C ATOM 1252 CG PRO A 80 4.200 1.154 12.775 1.00 0.00 C ATOM 1253 CD PRO A 80 3.164 1.340 11.706 1.00 0.00 C ATOM 0 HA PRO A 80 5.771 1.259 9.893 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.273 0.647 12.600 1.00 0.00 H new ATOM 0 HB3 PRO A 80 5.881 2.262 12.044 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.079 0.192 13.274 1.00 0.00 H new ATOM 0 HG3 PRO A 80 4.114 1.924 13.542 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.227 0.843 11.959 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.933 2.393 11.544 1.00 0.00 H new ATOM 1261 N THR A 81 5.077 -1.686 11.183 1.00 0.00 N ATOM 1262 CA THR A 81 5.459 -3.089 11.122 1.00 0.00 C ATOM 1263 C THR A 81 5.445 -3.562 9.676 1.00 0.00 C ATOM 1264 O THR A 81 6.310 -4.326 9.253 1.00 0.00 O ATOM 1265 CB THR A 81 4.505 -3.939 11.960 1.00 0.00 C ATOM 1266 OG1 THR A 81 4.378 -3.411 13.268 1.00 0.00 O ATOM 1267 CG2 THR A 81 4.943 -5.381 12.088 1.00 0.00 C ATOM 0 H THR A 81 4.245 -1.498 11.743 1.00 0.00 H new ATOM 0 HA THR A 81 6.465 -3.198 11.526 1.00 0.00 H new ATOM 0 HB THR A 81 3.553 -3.911 11.429 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.762 -3.969 13.787 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.221 -5.928 12.695 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.001 -5.833 11.098 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.923 -5.423 12.564 1.00 0.00 H new ATOM 1275 N CYS A 82 4.470 -3.079 8.908 1.00 0.00 N ATOM 1276 CA CYS A 82 4.375 -3.434 7.501 1.00 0.00 C ATOM 1277 C CYS A 82 5.657 -3.011 6.804 1.00 0.00 C ATOM 1278 O CYS A 82 6.208 -3.741 5.980 1.00 0.00 O ATOM 1279 CB CYS A 82 3.169 -2.756 6.850 1.00 0.00 C ATOM 1280 SG CYS A 82 1.590 -3.150 7.636 1.00 0.00 S ATOM 0 H CYS A 82 3.741 -2.446 9.237 1.00 0.00 H new ATOM 0 HA CYS A 82 4.241 -4.512 7.408 1.00 0.00 H new ATOM 0 HB2 CYS A 82 3.316 -1.676 6.874 1.00 0.00 H new ATOM 0 HB3 CYS A 82 3.124 -3.048 5.801 1.00 0.00 H new ATOM 0 HG CYS A 82 0.630 -2.529 7.017 1.00 0.00 H new ATOM 1286 N ALA A 83 6.144 -1.831 7.182 1.00 0.00 N ATOM 1287 CA ALA A 83 7.385 -1.324 6.626 1.00 0.00 C ATOM 1288 C ALA A 83 8.528 -2.230 7.047 1.00 0.00 C ATOM 1289 O ALA A 83 9.490 -2.412 6.305 1.00 0.00 O ATOM 1290 CB ALA A 83 7.632 0.112 7.065 1.00 0.00 C ATOM 0 H ALA A 83 5.699 -1.217 7.865 1.00 0.00 H new ATOM 0 HA ALA A 83 7.316 -1.321 5.538 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.568 0.468 6.635 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.812 0.743 6.723 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.693 0.155 8.152 1.00 0.00 H new ATOM 1296 N ARG A 84 8.391 -2.839 8.225 1.00 0.00 N ATOM 1297 CA ARG A 84 9.393 -3.776 8.709 1.00 0.00 C ATOM 1298 C ARG A 84 9.428 -4.963 7.761 1.00 0.00 C ATOM 1299 O ARG A 84 10.479 -5.547 7.506 1.00 0.00 O ATOM 1300 CB ARG A 84 9.085 -4.235 10.137 1.00 0.00 C ATOM 1301 CG ARG A 84 8.929 -3.093 11.128 1.00 0.00 C ATOM 1302 CD ARG A 84 10.225 -2.315 11.294 1.00 0.00 C ATOM 1303 NE ARG A 84 11.062 -2.864 12.359 1.00 0.00 N ATOM 1304 CZ ARG A 84 12.364 -2.614 12.485 1.00 0.00 C ATOM 1305 NH1 ARG A 84 12.982 -1.826 11.613 1.00 0.00 N ATOM 1306 NH2 ARG A 84 13.050 -3.152 13.484 1.00 0.00 N ATOM 0 H ARG A 84 7.601 -2.699 8.854 1.00 0.00 H new ATOM 0 HA ARG A 84 10.366 -3.286 8.736 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.168 -4.825 10.129 1.00 0.00 H new ATOM 0 HB3 ARG A 84 9.885 -4.893 10.478 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.141 -2.421 10.788 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.615 -3.489 12.094 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.778 -2.328 10.355 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.996 -1.272 11.514 1.00 0.00 H new ATOM 0 HE ARG A 84 10.622 -3.475 13.047 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.459 -1.409 10.843 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.979 -1.637 11.714 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.581 -3.758 14.157 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.047 -2.960 13.580 1.00 0.00 H new ATOM 1320 N ARG A 85 8.260 -5.298 7.219 1.00 0.00 N ATOM 1321 CA ARG A 85 8.151 -6.390 6.269 1.00 0.00 C ATOM 1322 C ARG A 85 8.949 -6.046 5.023 1.00 0.00 C ATOM 1323 O ARG A 85 9.776 -6.839 4.572 1.00 0.00 O ATOM 1324 CB ARG A 85 6.686 -6.660 5.916 1.00 0.00 C ATOM 1325 CG ARG A 85 5.759 -6.693 7.123 1.00 0.00 C ATOM 1326 CD ARG A 85 6.165 -7.773 8.114 1.00 0.00 C ATOM 1327 NE ARG A 85 7.201 -7.312 9.038 1.00 0.00 N ATOM 1328 CZ ARG A 85 7.940 -8.127 9.787 1.00 0.00 C ATOM 1329 NH1 ARG A 85 7.764 -9.441 9.723 1.00 0.00 N ATOM 1330 NH2 ARG A 85 8.858 -7.627 10.604 1.00 0.00 N ATOM 0 H ARG A 85 7.379 -4.827 7.424 1.00 0.00 H new ATOM 0 HA ARG A 85 8.554 -7.298 6.717 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.341 -5.891 5.225 1.00 0.00 H new ATOM 0 HB3 ARG A 85 6.618 -7.613 5.391 1.00 0.00 H new ATOM 0 HG2 ARG A 85 5.771 -5.722 7.618 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.736 -6.869 6.791 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.290 -8.091 8.681 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.527 -8.645 7.570 1.00 0.00 H new ATOM 0 HE ARG A 85 7.367 -6.308 9.113 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.059 -9.831 9.097 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.333 -10.060 10.299 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.997 -6.618 10.658 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.424 -8.252 11.178 1.00 0.00 H new ATOM 1344 N LEU A 86 8.746 -4.836 4.494 1.00 0.00 N ATOM 1345 CA LEU A 86 9.521 -4.405 3.334 1.00 0.00 C ATOM 1346 C LEU A 86 10.979 -4.293 3.764 1.00 0.00 C ATOM 1347 O LEU A 86 11.892 -4.470 2.961 1.00 0.00 O ATOM 1348 CB LEU A 86 8.985 -3.072 2.785 1.00 0.00 C ATOM 1349 CG LEU A 86 10.038 -1.998 2.494 1.00 0.00 C ATOM 1350 CD1 LEU A 86 9.527 -1.013 1.456 1.00 0.00 C ATOM 1351 CD2 LEU A 86 10.423 -1.275 3.776 1.00 0.00 C ATOM 0 H LEU A 86 8.070 -4.156 4.841 1.00 0.00 H new ATOM 0 HA LEU A 86 9.434 -5.130 2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.436 -3.274 1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.269 -2.668 3.501 1.00 0.00 H new ATOM 0 HG LEU A 86 10.926 -2.485 2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.290 -0.259 1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.300 -1.544 0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.624 -0.529 1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.172 -0.515 3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.540 -0.801 4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.833 -1.991 4.488 1.00 0.00 H new ATOM 1363 N VAL A 87 11.196 -4.064 5.060 1.00 0.00 N ATOM 1364 CA VAL A 87 12.543 -4.017 5.586 1.00 0.00 C ATOM 1365 C VAL A 87 13.132 -5.411 5.444 1.00 0.00 C ATOM 1366 O VAL A 87 14.302 -5.571 5.114 1.00 0.00 O ATOM 1367 CB VAL A 87 12.591 -3.552 7.058 1.00 0.00 C ATOM 1368 CG1 VAL A 87 13.971 -3.784 7.657 1.00 0.00 C ATOM 1369 CG2 VAL A 87 12.200 -2.087 7.159 1.00 0.00 C ATOM 0 H VAL A 87 10.460 -3.911 5.750 1.00 0.00 H new ATOM 0 HA VAL A 87 13.122 -3.284 5.025 1.00 0.00 H new ATOM 0 HB VAL A 87 11.875 -4.143 7.629 1.00 0.00 H new ATOM 0 HG11 VAL A 87 13.979 -3.448 8.694 1.00 0.00 H new ATOM 0 HG12 VAL A 87 14.211 -4.847 7.618 1.00 0.00 H new ATOM 0 HG13 VAL A 87 14.713 -3.223 7.089 1.00 0.00 H new ATOM 0 HG21 VAL A 87 12.238 -1.771 8.202 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.893 -1.484 6.572 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.188 -1.953 6.776 1.00 0.00 H new ATOM 1379 N ASN A 88 12.284 -6.424 5.647 1.00 0.00 N ATOM 1380 CA ASN A 88 12.706 -7.804 5.479 1.00 0.00 C ATOM 1381 C ASN A 88 13.020 -8.039 4.004 1.00 0.00 C ATOM 1382 O ASN A 88 13.768 -8.946 3.653 1.00 0.00 O ATOM 1383 CB ASN A 88 11.605 -8.765 5.968 1.00 0.00 C ATOM 1384 CG ASN A 88 11.340 -9.926 5.013 1.00 0.00 C ATOM 1385 OD1 ASN A 88 12.125 -10.870 4.938 1.00 0.00 O ATOM 1386 ND2 ASN A 88 10.231 -9.854 4.275 1.00 0.00 N ATOM 0 H ASN A 88 11.310 -6.309 5.926 1.00 0.00 H new ATOM 0 HA ASN A 88 13.598 -7.996 6.075 1.00 0.00 H new ATOM 0 HB2 ASN A 88 11.889 -9.164 6.942 1.00 0.00 H new ATOM 0 HB3 ASN A 88 10.681 -8.204 6.110 1.00 0.00 H new ATOM 0 HD21 ASN A 88 10.007 -10.600 3.617 1.00 0.00 H new ATOM 0 HD22 ASN A 88 9.607 -9.053 4.369 1.00 0.00 H new ATOM 1393 N TYR A 89 12.432 -7.196 3.151 1.00 0.00 N ATOM 1394 CA TYR A 89 12.625 -7.276 1.709 1.00 0.00 C ATOM 1395 C TYR A 89 14.011 -6.767 1.330 1.00 0.00 C ATOM 1396 O TYR A 89 14.825 -7.507 0.778 1.00 0.00 O ATOM 1397 CB TYR A 89 11.512 -6.471 1.002 1.00 0.00 C ATOM 1398 CG TYR A 89 11.589 -6.424 -0.510 1.00 0.00 C ATOM 1399 CD1 TYR A 89 12.507 -5.608 -1.159 1.00 0.00 C ATOM 1400 CD2 TYR A 89 10.737 -7.194 -1.289 1.00 0.00 C ATOM 1401 CE1 TYR A 89 12.574 -5.566 -2.538 1.00 0.00 C ATOM 1402 CE2 TYR A 89 10.801 -7.161 -2.671 1.00 0.00 C ATOM 1403 CZ TYR A 89 11.722 -6.344 -3.288 1.00 0.00 C ATOM 1404 OH TYR A 89 11.793 -6.307 -4.660 1.00 0.00 O ATOM 0 H TYR A 89 11.811 -6.442 3.444 1.00 0.00 H new ATOM 0 HA TYR A 89 12.561 -8.315 1.385 1.00 0.00 H new ATOM 0 HB2 TYR A 89 10.548 -6.895 1.285 1.00 0.00 H new ATOM 0 HB3 TYR A 89 11.534 -5.449 1.380 1.00 0.00 H new ATOM 0 HD1 TYR A 89 13.179 -4.996 -0.576 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.010 -7.831 -0.808 1.00 0.00 H new ATOM 0 HE1 TYR A 89 13.293 -4.925 -3.026 1.00 0.00 H new ATOM 0 HE2 TYR A 89 10.134 -7.771 -3.261 1.00 0.00 H new ATOM 0 HH TYR A 89 11.970 -5.389 -4.954 1.00 0.00 H new ATOM 1414 N LEU A 90 14.289 -5.506 1.659 1.00 0.00 N ATOM 1415 CA LEU A 90 15.594 -4.929 1.378 1.00 0.00 C ATOM 1416 C LEU A 90 16.661 -5.801 2.015 1.00 0.00 C ATOM 1417 O LEU A 90 17.683 -6.109 1.407 1.00 0.00 O ATOM 1418 CB LEU A 90 15.688 -3.493 1.907 1.00 0.00 C ATOM 1419 CG LEU A 90 15.238 -3.296 3.358 1.00 0.00 C ATOM 1420 CD1 LEU A 90 16.408 -3.481 4.315 1.00 0.00 C ATOM 1421 CD2 LEU A 90 14.612 -1.920 3.536 1.00 0.00 C ATOM 0 H LEU A 90 13.632 -4.873 2.116 1.00 0.00 H new ATOM 0 HA LEU A 90 15.744 -4.890 0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 90 16.721 -3.157 1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 90 15.086 -2.848 1.267 1.00 0.00 H new ATOM 0 HG LEU A 90 14.487 -4.051 3.591 1.00 0.00 H new ATOM 0 HD11 LEU A 90 16.066 -3.337 5.340 1.00 0.00 H new ATOM 0 HD12 LEU A 90 16.812 -4.487 4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 90 17.185 -2.751 4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 90 14.297 -1.795 4.572 1.00 0.00 H new ATOM 0 HD22 LEU A 90 15.343 -1.152 3.284 1.00 0.00 H new ATOM 0 HD23 LEU A 90 13.747 -1.826 2.880 1.00 0.00 H new ATOM 1433 N ASP A 91 16.387 -6.216 3.244 1.00 0.00 N ATOM 1434 CA ASP A 91 17.284 -7.085 3.982 1.00 0.00 C ATOM 1435 C ASP A 91 17.292 -8.479 3.364 1.00 0.00 C ATOM 1436 O ASP A 91 18.292 -9.194 3.439 1.00 0.00 O ATOM 1437 CB ASP A 91 16.867 -7.161 5.453 1.00 0.00 C ATOM 1438 CG ASP A 91 18.003 -6.815 6.394 1.00 0.00 C ATOM 1439 OD1 ASP A 91 18.344 -5.616 6.495 1.00 0.00 O ATOM 1440 OD2 ASP A 91 18.551 -7.737 7.031 1.00 0.00 O ATOM 0 H ASP A 91 15.541 -5.960 3.753 1.00 0.00 H new ATOM 0 HA ASP A 91 18.291 -6.670 3.929 1.00 0.00 H new ATOM 0 HB2 ASP A 91 16.034 -6.480 5.627 1.00 0.00 H new ATOM 0 HB3 ASP A 91 16.508 -8.166 5.675 1.00 0.00 H new ATOM 1445 N GLU A 92 16.165 -8.871 2.761 1.00 0.00 N ATOM 1446 CA GLU A 92 16.056 -10.187 2.150 1.00 0.00 C ATOM 1447 C GLU A 92 17.096 -10.381 1.055 1.00 0.00 C ATOM 1448 O GLU A 92 17.749 -11.422 0.997 1.00 0.00 O ATOM 1449 CB GLU A 92 14.655 -10.405 1.579 1.00 0.00 C ATOM 1450 CG GLU A 92 13.816 -11.385 2.382 1.00 0.00 C ATOM 1451 CD GLU A 92 13.793 -12.774 1.771 1.00 0.00 C ATOM 1452 OE1 GLU A 92 13.903 -12.879 0.531 1.00 0.00 O ATOM 1453 OE2 GLU A 92 13.664 -13.756 2.533 1.00 0.00 O ATOM 0 H GLU A 92 15.325 -8.297 2.686 1.00 0.00 H new ATOM 0 HA GLU A 92 16.240 -10.924 2.932 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.137 -9.447 1.535 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.742 -10.768 0.555 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.208 -11.446 3.397 1.00 0.00 H new ATOM 0 HG3 GLU A 92 12.796 -11.008 2.456 1.00 0.00 H new ATOM 1460 N LYS A 93 17.249 -9.389 0.177 1.00 0.00 N ATOM 1461 CA LYS A 93 18.222 -9.514 -0.910 1.00 0.00 C ATOM 1462 C LYS A 93 18.738 -8.163 -1.388 1.00 0.00 C ATOM 1463 O LYS A 93 18.999 -7.969 -2.575 1.00 0.00 O ATOM 1464 CB LYS A 93 17.601 -10.276 -2.073 1.00 0.00 C ATOM 1465 CG LYS A 93 18.562 -11.236 -2.752 1.00 0.00 C ATOM 1466 CD LYS A 93 18.987 -12.357 -1.816 1.00 0.00 C ATOM 1467 CE LYS A 93 20.468 -12.670 -1.955 1.00 0.00 C ATOM 1468 NZ LYS A 93 20.807 -13.125 -3.331 1.00 0.00 N ATOM 0 H LYS A 93 16.728 -8.512 0.194 1.00 0.00 H new ATOM 0 HA LYS A 93 19.078 -10.065 -0.519 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.738 -10.834 -1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 93 17.233 -9.562 -2.809 1.00 0.00 H new ATOM 0 HG2 LYS A 93 18.089 -11.660 -3.638 1.00 0.00 H new ATOM 0 HG3 LYS A 93 19.443 -10.691 -3.092 1.00 0.00 H new ATOM 0 HD2 LYS A 93 18.769 -12.074 -0.786 1.00 0.00 H new ATOM 0 HD3 LYS A 93 18.403 -13.252 -2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 93 21.052 -11.783 -1.711 1.00 0.00 H new ATOM 0 HE3 LYS A 93 20.746 -13.442 -1.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 21.807 -13.410 -3.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 20.207 -13.935 -3.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 20.645 -12.348 -4.003 1.00 0.00 H new ATOM 1482 N LYS A 94 18.894 -7.240 -0.456 1.00 0.00 N ATOM 1483 CA LYS A 94 19.397 -5.903 -0.771 1.00 0.00 C ATOM 1484 C LYS A 94 18.643 -5.287 -1.948 1.00 0.00 C ATOM 1485 O LYS A 94 19.048 -5.437 -3.099 1.00 0.00 O ATOM 1486 CB LYS A 94 20.895 -5.966 -1.090 1.00 0.00 C ATOM 1487 CG LYS A 94 21.777 -5.384 0.004 1.00 0.00 C ATOM 1488 CD LYS A 94 21.437 -5.969 1.364 1.00 0.00 C ATOM 1489 CE LYS A 94 22.685 -6.208 2.198 1.00 0.00 C ATOM 1490 NZ LYS A 94 22.579 -7.456 3.005 1.00 0.00 N ATOM 0 H LYS A 94 18.680 -7.387 0.531 1.00 0.00 H new ATOM 0 HA LYS A 94 19.237 -5.271 0.103 1.00 0.00 H new ATOM 0 HB2 LYS A 94 21.178 -7.005 -1.259 1.00 0.00 H new ATOM 0 HB3 LYS A 94 21.083 -5.429 -2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 94 22.824 -5.582 -0.227 1.00 0.00 H new ATOM 0 HG3 LYS A 94 21.656 -4.301 0.032 1.00 0.00 H new ATOM 0 HD2 LYS A 94 20.768 -5.292 1.895 1.00 0.00 H new ATOM 0 HD3 LYS A 94 20.901 -6.909 1.233 1.00 0.00 H new ATOM 0 HE2 LYS A 94 23.554 -6.271 1.543 1.00 0.00 H new ATOM 0 HE3 LYS A 94 22.847 -5.359 2.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 23.449 -7.585 3.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 21.765 -7.385 3.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 22.449 -8.270 2.370 1.00 0.00 H new ATOM 1504 N GLU A 95 17.549 -4.590 -1.648 1.00 0.00 N ATOM 1505 CA GLU A 95 16.736 -3.943 -2.678 1.00 0.00 C ATOM 1506 C GLU A 95 15.475 -3.340 -2.067 1.00 0.00 C ATOM 1507 O GLU A 95 15.356 -3.247 -0.849 1.00 0.00 O ATOM 1508 CB GLU A 95 16.350 -4.948 -3.769 1.00 0.00 C ATOM 1509 CG GLU A 95 15.455 -6.069 -3.269 1.00 0.00 C ATOM 1510 CD GLU A 95 16.214 -7.357 -3.035 1.00 0.00 C ATOM 1511 OE1 GLU A 95 16.940 -7.792 -3.954 1.00 0.00 O ATOM 1512 OE2 GLU A 95 16.082 -7.930 -1.933 1.00 0.00 O ATOM 0 H GLU A 95 17.204 -4.458 -0.697 1.00 0.00 H new ATOM 0 HA GLU A 95 17.330 -3.145 -3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 95 15.841 -4.420 -4.575 1.00 0.00 H new ATOM 0 HB3 GLU A 95 17.257 -5.379 -4.193 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.976 -5.760 -2.340 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.661 -6.246 -3.994 1.00 0.00 H new ATOM 1519 N ASP A 96 14.539 -2.941 -2.932 1.00 0.00 N ATOM 1520 CA ASP A 96 13.262 -2.349 -2.516 1.00 0.00 C ATOM 1521 C ASP A 96 12.745 -1.398 -3.590 1.00 0.00 C ATOM 1522 O ASP A 96 11.542 -1.153 -3.682 1.00 0.00 O ATOM 1523 CB ASP A 96 13.383 -1.602 -1.178 1.00 0.00 C ATOM 1524 CG ASP A 96 12.115 -0.848 -0.814 1.00 0.00 C ATOM 1525 OD1 ASP A 96 11.014 -1.381 -1.072 1.00 0.00 O ATOM 1526 OD2 ASP A 96 12.224 0.273 -0.274 1.00 0.00 O ATOM 0 H ASP A 96 14.644 -3.019 -3.944 1.00 0.00 H new ATOM 0 HA ASP A 96 12.555 -3.168 -2.380 1.00 0.00 H new ATOM 0 HB2 ASP A 96 13.617 -2.315 -0.388 1.00 0.00 H new ATOM 0 HB3 ASP A 96 14.216 -0.901 -1.231 1.00 0.00 H new ATOM 1531 N THR A 97 13.658 -0.866 -4.401 1.00 0.00 N ATOM 1532 CA THR A 97 13.288 0.058 -5.470 1.00 0.00 C ATOM 1533 C THR A 97 12.187 -0.531 -6.346 1.00 0.00 C ATOM 1534 O THR A 97 11.639 -1.592 -6.049 1.00 0.00 O ATOM 1535 CB THR A 97 14.506 0.405 -6.330 1.00 0.00 C ATOM 1536 OG1 THR A 97 15.534 -0.560 -6.165 1.00 0.00 O ATOM 1537 CG2 THR A 97 15.091 1.767 -6.021 1.00 0.00 C ATOM 0 H THR A 97 14.658 -1.059 -4.338 1.00 0.00 H new ATOM 0 HA THR A 97 12.912 0.969 -5.005 1.00 0.00 H new ATOM 0 HB THR A 97 14.140 0.413 -7.357 1.00 0.00 H new ATOM 0 HG1 THR A 97 16.302 -0.319 -6.725 1.00 0.00 H new ATOM 0 HG21 THR A 97 15.951 1.949 -6.666 1.00 0.00 H new ATOM 0 HG22 THR A 97 14.337 2.535 -6.196 1.00 0.00 H new ATOM 0 HG23 THR A 97 15.407 1.799 -4.978 1.00 0.00 H new ATOM 1545 N GLY A 98 11.863 0.165 -7.427 1.00 0.00 N ATOM 1546 CA GLY A 98 10.826 -0.306 -8.323 1.00 0.00 C ATOM 1547 C GLY A 98 9.643 0.636 -8.365 1.00 0.00 C ATOM 1548 O GLY A 98 8.947 0.734 -9.376 1.00 0.00 O ATOM 0 H GLY A 98 12.299 1.046 -7.699 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.237 -0.417 -9.326 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.492 -1.293 -8.004 1.00 0.00 H new ATOM 1552 N ILE A 99 9.420 1.333 -7.261 1.00 0.00 N ATOM 1553 CA ILE A 99 8.319 2.290 -7.165 1.00 0.00 C ATOM 1554 C ILE A 99 8.756 3.680 -7.596 1.00 0.00 C ATOM 1555 O ILE A 99 9.851 4.117 -7.244 1.00 0.00 O ATOM 1556 CB ILE A 99 7.751 2.420 -5.731 1.00 0.00 C ATOM 1557 CG1 ILE A 99 8.824 2.159 -4.669 1.00 0.00 C ATOM 1558 CG2 ILE A 99 6.568 1.497 -5.528 1.00 0.00 C ATOM 1559 CD1 ILE A 99 9.943 3.177 -4.672 1.00 0.00 C ATOM 0 H ILE A 99 9.986 1.256 -6.416 1.00 0.00 H new ATOM 0 HA ILE A 99 7.547 1.896 -7.826 1.00 0.00 H new ATOM 0 HB ILE A 99 7.410 3.449 -5.613 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.355 2.151 -3.685 1.00 0.00 H new ATOM 0 HG13 ILE A 99 9.247 1.167 -4.828 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.189 1.609 -4.512 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.782 1.752 -6.239 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.880 0.465 -5.687 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.664 2.927 -3.894 1.00 0.00 H new ATOM 0 HD12 ILE A 99 10.439 3.170 -5.643 1.00 0.00 H new ATOM 0 HD13 ILE A 99 9.533 4.169 -4.482 1.00 0.00 H new ATOM 1571 N LYS A 100 7.892 4.406 -8.314 1.00 0.00 N ATOM 1572 CA LYS A 100 8.238 5.773 -8.705 1.00 0.00 C ATOM 1573 C LYS A 100 8.706 6.535 -7.470 1.00 0.00 C ATOM 1574 O LYS A 100 9.764 7.164 -7.462 1.00 0.00 O ATOM 1575 CB LYS A 100 7.030 6.493 -9.311 1.00 0.00 C ATOM 1576 CG LYS A 100 7.373 7.354 -10.519 1.00 0.00 C ATOM 1577 CD LYS A 100 8.334 8.474 -10.156 1.00 0.00 C ATOM 1578 CE LYS A 100 9.758 8.139 -10.575 1.00 0.00 C ATOM 1579 NZ LYS A 100 10.759 8.635 -9.589 1.00 0.00 N ATOM 0 H LYS A 100 6.977 4.082 -8.627 1.00 0.00 H new ATOM 0 HA LYS A 100 9.028 5.734 -9.455 1.00 0.00 H new ATOM 0 HB2 LYS A 100 6.286 5.752 -9.604 1.00 0.00 H new ATOM 0 HB3 LYS A 100 6.572 7.121 -8.547 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.817 6.731 -11.296 1.00 0.00 H new ATOM 0 HG3 LYS A 100 6.459 7.779 -10.934 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.018 9.398 -10.640 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.301 8.650 -9.081 1.00 0.00 H new ATOM 0 HE2 LYS A 100 9.860 7.059 -10.684 1.00 0.00 H new ATOM 0 HE3 LYS A 100 9.962 8.578 -11.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 11.718 8.493 -9.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.602 9.648 -9.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 10.657 8.110 -8.697 1.00 0.00 H new ATOM 1593 N ASN A 101 7.893 6.447 -6.425 1.00 0.00 N ATOM 1594 CA ASN A 101 8.172 7.092 -5.152 1.00 0.00 C ATOM 1595 C ASN A 101 7.475 6.349 -4.006 1.00 0.00 C ATOM 1596 O ASN A 101 6.270 6.106 -4.054 1.00 0.00 O ATOM 1597 CB ASN A 101 7.714 8.551 -5.191 1.00 0.00 C ATOM 1598 CG ASN A 101 8.745 9.498 -4.607 1.00 0.00 C ATOM 1599 OD1 ASN A 101 8.432 10.321 -3.747 1.00 0.00 O ATOM 1600 ND2 ASN A 101 9.982 9.384 -5.074 1.00 0.00 N ATOM 0 H ASN A 101 7.018 5.923 -6.439 1.00 0.00 H new ATOM 0 HA ASN A 101 9.248 7.063 -4.977 1.00 0.00 H new ATOM 0 HB2 ASN A 101 7.506 8.836 -6.222 1.00 0.00 H new ATOM 0 HB3 ASN A 101 6.780 8.650 -4.638 1.00 0.00 H new ATOM 0 HD21 ASN A 101 10.719 9.993 -4.720 1.00 0.00 H new ATOM 0 HD22 ASN A 101 10.196 8.687 -5.787 1.00 0.00 H new ATOM 1607 N ILE A 102 8.240 6.002 -2.974 1.00 0.00 N ATOM 1608 CA ILE A 102 7.691 5.305 -1.813 1.00 0.00 C ATOM 1609 C ILE A 102 7.064 6.306 -0.842 1.00 0.00 C ATOM 1610 O ILE A 102 7.727 7.229 -0.370 1.00 0.00 O ATOM 1611 CB ILE A 102 8.779 4.491 -1.082 1.00 0.00 C ATOM 1612 CG1 ILE A 102 8.169 3.697 0.075 1.00 0.00 C ATOM 1613 CG2 ILE A 102 9.882 5.408 -0.574 1.00 0.00 C ATOM 1614 CD1 ILE A 102 9.130 2.707 0.697 1.00 0.00 C ATOM 0 H ILE A 102 9.241 6.192 -2.918 1.00 0.00 H new ATOM 0 HA ILE A 102 6.926 4.616 -2.171 1.00 0.00 H new ATOM 0 HB ILE A 102 9.215 3.788 -1.791 1.00 0.00 H new ATOM 0 HG12 ILE A 102 7.827 4.392 0.842 1.00 0.00 H new ATOM 0 HG13 ILE A 102 7.290 3.162 -0.285 1.00 0.00 H new ATOM 0 HG21 ILE A 102 10.640 4.816 -0.061 1.00 0.00 H new ATOM 0 HG22 ILE A 102 10.337 5.930 -1.415 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.460 6.136 0.119 1.00 0.00 H new ATOM 0 HD11 ILE A 102 8.632 2.179 1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 102 9.453 1.990 -0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 102 9.998 3.238 1.087 1.00 0.00 H new ATOM 1626 N MET A 103 5.773 6.132 -0.580 1.00 0.00 N ATOM 1627 CA MET A 103 5.035 7.034 0.300 1.00 0.00 C ATOM 1628 C MET A 103 4.169 6.269 1.300 1.00 0.00 C ATOM 1629 O MET A 103 4.038 5.050 1.224 1.00 0.00 O ATOM 1630 CB MET A 103 4.160 7.970 -0.530 1.00 0.00 C ATOM 1631 CG MET A 103 4.934 9.087 -1.213 1.00 0.00 C ATOM 1632 SD MET A 103 4.660 9.147 -2.994 1.00 0.00 S ATOM 1633 CE MET A 103 3.143 10.096 -3.077 1.00 0.00 C ATOM 0 H MET A 103 5.213 5.372 -0.966 1.00 0.00 H new ATOM 0 HA MET A 103 5.764 7.614 0.865 1.00 0.00 H new ATOM 0 HB2 MET A 103 3.637 7.387 -1.288 1.00 0.00 H new ATOM 0 HB3 MET A 103 3.399 8.409 0.116 1.00 0.00 H new ATOM 0 HG2 MET A 103 4.646 10.042 -0.774 1.00 0.00 H new ATOM 0 HG3 MET A 103 5.998 8.955 -1.019 1.00 0.00 H new ATOM 0 HE1 MET A 103 2.571 9.792 -3.954 1.00 0.00 H new ATOM 0 HE2 MET A 103 2.552 9.917 -2.179 1.00 0.00 H new ATOM 0 HE3 MET A 103 3.381 11.157 -3.149 1.00 0.00 H new ATOM 1643 N ILE A 104 3.589 7.007 2.243 1.00 0.00 N ATOM 1644 CA ILE A 104 2.728 6.423 3.263 1.00 0.00 C ATOM 1645 C ILE A 104 1.444 7.243 3.410 1.00 0.00 C ATOM 1646 O ILE A 104 1.488 8.440 3.691 1.00 0.00 O ATOM 1647 CB ILE A 104 3.448 6.314 4.629 1.00 0.00 C ATOM 1648 CG1 ILE A 104 3.533 7.677 5.323 1.00 0.00 C ATOM 1649 CG2 ILE A 104 4.842 5.731 4.446 1.00 0.00 C ATOM 1650 CD1 ILE A 104 2.409 7.924 6.306 1.00 0.00 C ATOM 0 H ILE A 104 3.702 8.018 2.320 1.00 0.00 H new ATOM 0 HA ILE A 104 2.475 5.414 2.939 1.00 0.00 H new ATOM 0 HB ILE A 104 2.864 5.648 5.264 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.486 7.751 5.847 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.523 8.462 4.567 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.337 5.660 5.415 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.766 4.738 4.004 1.00 0.00 H new ATOM 0 HG23 ILE A 104 5.423 6.377 3.788 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.532 8.907 6.760 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.453 7.883 5.784 1.00 0.00 H new ATOM 0 HD13 ILE A 104 2.431 7.160 7.083 1.00 0.00 H new ATOM 1662 N LEU A 105 0.304 6.592 3.209 1.00 0.00 N ATOM 1663 CA LEU A 105 -0.989 7.264 3.309 1.00 0.00 C ATOM 1664 C LEU A 105 -1.409 7.452 4.764 1.00 0.00 C ATOM 1665 O LEU A 105 -1.224 6.566 5.598 1.00 0.00 O ATOM 1666 CB LEU A 105 -2.079 6.529 2.502 1.00 0.00 C ATOM 1667 CG LEU A 105 -2.461 5.100 2.938 1.00 0.00 C ATOM 1668 CD1 LEU A 105 -1.284 4.146 2.815 1.00 0.00 C ATOM 1669 CD2 LEU A 105 -3.025 5.078 4.351 1.00 0.00 C ATOM 0 H LEU A 105 0.247 5.601 2.976 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.871 8.254 2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.982 7.139 2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.753 6.485 1.463 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.243 4.758 2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.590 3.148 3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.950 4.112 1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.467 4.492 3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.283 4.055 4.624 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.279 5.462 5.047 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.918 5.702 4.396 1.00 0.00 H new ATOM 1681 N GLU A 106 -1.967 8.623 5.062 1.00 0.00 N ATOM 1682 CA GLU A 106 -2.413 8.938 6.417 1.00 0.00 C ATOM 1683 C GLU A 106 -3.905 8.674 6.575 1.00 0.00 C ATOM 1684 O GLU A 106 -4.336 8.068 7.555 1.00 0.00 O ATOM 1685 CB GLU A 106 -2.102 10.395 6.773 1.00 0.00 C ATOM 1686 CG GLU A 106 -2.167 11.357 5.596 1.00 0.00 C ATOM 1687 CD GLU A 106 -2.525 12.766 6.021 1.00 0.00 C ATOM 1688 OE1 GLU A 106 -3.611 12.949 6.610 1.00 0.00 O ATOM 1689 OE2 GLU A 106 -1.718 13.685 5.772 1.00 0.00 O ATOM 0 H GLU A 106 -2.121 9.369 4.384 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.868 8.288 7.101 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.804 10.727 7.537 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.106 10.444 7.212 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.204 11.368 5.086 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -2.904 10.999 4.878 1.00 0.00 H new ATOM 1696 N ARG A 107 -4.692 9.128 5.604 1.00 0.00 N ATOM 1697 CA ARG A 107 -6.136 8.930 5.639 1.00 0.00 C ATOM 1698 C ARG A 107 -6.487 7.496 5.265 1.00 0.00 C ATOM 1699 O ARG A 107 -7.291 6.846 5.931 1.00 0.00 O ATOM 1700 CB ARG A 107 -6.832 9.906 4.685 1.00 0.00 C ATOM 1701 CG ARG A 107 -8.347 9.911 4.815 1.00 0.00 C ATOM 1702 CD ARG A 107 -8.793 10.511 6.140 1.00 0.00 C ATOM 1703 NE ARG A 107 -8.707 11.970 6.140 1.00 0.00 N ATOM 1704 CZ ARG A 107 -8.686 12.711 7.246 1.00 0.00 C ATOM 1705 NH1 ARG A 107 -8.744 12.137 8.441 1.00 0.00 N ATOM 1706 NH2 ARG A 107 -8.604 14.033 7.155 1.00 0.00 N ATOM 0 H ARG A 107 -4.354 9.634 4.785 1.00 0.00 H new ATOM 0 HA ARG A 107 -6.484 9.122 6.654 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -6.457 10.912 4.871 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -6.565 9.651 3.660 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -8.781 10.480 3.993 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -8.723 8.891 4.731 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -9.820 10.209 6.347 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -8.175 10.112 6.944 1.00 0.00 H new ATOM 0 HE ARG A 107 -8.660 12.448 5.240 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.805 11.122 8.517 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.727 12.711 9.284 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.557 14.479 6.239 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.588 14.602 8.001 1.00 0.00 H new ATOM 1720 N GLY A 108 -5.868 7.006 4.193 1.00 0.00 N ATOM 1721 CA GLY A 108 -6.115 5.648 3.741 1.00 0.00 C ATOM 1722 C GLY A 108 -7.589 5.301 3.696 1.00 0.00 C ATOM 1723 O GLY A 108 -8.280 5.614 2.726 1.00 0.00 O ATOM 0 H GLY A 108 -5.198 7.528 3.628 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -5.686 5.517 2.748 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -5.603 4.951 4.404 1.00 0.00 H new ATOM 1727 N PHE A 109 -8.069 4.647 4.748 1.00 0.00 N ATOM 1728 CA PHE A 109 -9.467 4.252 4.826 1.00 0.00 C ATOM 1729 C PHE A 109 -9.934 4.172 6.278 1.00 0.00 C ATOM 1730 O PHE A 109 -10.826 3.390 6.608 1.00 0.00 O ATOM 1731 CB PHE A 109 -9.676 2.899 4.137 1.00 0.00 C ATOM 1732 CG PHE A 109 -8.907 2.749 2.854 1.00 0.00 C ATOM 1733 CD1 PHE A 109 -9.369 3.327 1.682 1.00 0.00 C ATOM 1734 CD2 PHE A 109 -7.723 2.030 2.821 1.00 0.00 C ATOM 1735 CE1 PHE A 109 -8.663 3.191 0.501 1.00 0.00 C ATOM 1736 CE2 PHE A 109 -7.013 1.892 1.643 1.00 0.00 C ATOM 1737 CZ PHE A 109 -7.483 2.473 0.482 1.00 0.00 C ATOM 0 H PHE A 109 -7.509 4.380 5.558 1.00 0.00 H new ATOM 0 HA PHE A 109 -10.060 5.010 4.315 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -9.382 2.103 4.822 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -10.738 2.766 3.931 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -10.291 3.890 1.691 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -7.351 1.572 3.726 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -9.034 3.646 -0.406 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -6.091 1.330 1.631 1.00 0.00 H new ATOM 0 HZ PHE A 109 -6.929 2.366 -0.439 1.00 0.00 H new ATOM 1747 N ASN A 110 -9.330 4.985 7.144 1.00 0.00 N ATOM 1748 CA ASN A 110 -9.702 4.992 8.556 1.00 0.00 C ATOM 1749 C ASN A 110 -11.169 5.373 8.712 1.00 0.00 C ATOM 1750 O ASN A 110 -11.935 4.671 9.367 1.00 0.00 O ATOM 1751 CB ASN A 110 -8.813 5.956 9.347 1.00 0.00 C ATOM 1752 CG ASN A 110 -8.926 7.389 8.866 1.00 0.00 C ATOM 1753 OD1 ASN A 110 -8.844 7.662 7.668 1.00 0.00 O ATOM 1754 ND2 ASN A 110 -9.112 8.316 9.800 1.00 0.00 N ATOM 0 H ASN A 110 -8.589 5.640 6.895 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.556 3.988 8.955 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -9.083 5.909 10.402 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -7.775 5.632 9.269 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -9.193 9.298 9.535 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -9.174 8.046 10.782 1.00 0.00 H new ATOM 1761 N GLY A 111 -11.562 6.474 8.079 1.00 0.00 N ATOM 1762 CA GLY A 111 -12.938 6.909 8.129 1.00 0.00 C ATOM 1763 C GLY A 111 -13.843 5.945 7.394 1.00 0.00 C ATOM 1764 O GLY A 111 -15.005 5.766 7.758 1.00 0.00 O ATOM 0 H GLY A 111 -10.945 7.073 7.530 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -13.258 6.993 9.168 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -13.025 7.902 7.688 1.00 0.00 H new ATOM 1768 N TRP A 112 -13.300 5.326 6.346 1.00 0.00 N ATOM 1769 CA TRP A 112 -14.057 4.374 5.546 1.00 0.00 C ATOM 1770 C TRP A 112 -14.556 3.231 6.414 1.00 0.00 C ATOM 1771 O TRP A 112 -15.746 2.961 6.464 1.00 0.00 O ATOM 1772 CB TRP A 112 -13.143 3.836 4.436 1.00 0.00 C ATOM 1773 CG TRP A 112 -13.736 2.721 3.634 1.00 0.00 C ATOM 1774 CD1 TRP A 112 -14.391 1.625 4.112 1.00 0.00 C ATOM 1775 CD2 TRP A 112 -13.706 2.582 2.211 1.00 0.00 C ATOM 1776 NE1 TRP A 112 -14.810 0.840 3.081 1.00 0.00 N ATOM 1777 CE2 TRP A 112 -14.389 1.393 1.897 1.00 0.00 C ATOM 1778 CE3 TRP A 112 -13.178 3.352 1.171 1.00 0.00 C ATOM 1779 CZ2 TRP A 112 -14.556 0.956 0.586 1.00 0.00 C ATOM 1780 CZ3 TRP A 112 -13.341 2.916 -0.131 1.00 0.00 C ATOM 1781 CH2 TRP A 112 -14.026 1.728 -0.413 1.00 0.00 C ATOM 0 H TRP A 112 -12.339 5.469 6.034 1.00 0.00 H new ATOM 0 HA TRP A 112 -14.924 4.868 5.108 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -12.887 4.655 3.764 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -12.212 3.490 4.885 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -14.554 1.410 5.158 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -15.350 -0.020 3.174 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -12.652 4.272 1.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -15.085 0.041 0.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -12.934 3.501 -0.943 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -14.139 1.414 -1.440 1.00 0.00 H new ATOM 1792 N GLU A 113 -13.649 2.576 7.112 1.00 0.00 N ATOM 1793 CA GLU A 113 -14.021 1.485 7.996 1.00 0.00 C ATOM 1794 C GLU A 113 -14.776 1.994 9.221 1.00 0.00 C ATOM 1795 O GLU A 113 -15.791 1.434 9.633 1.00 0.00 O ATOM 1796 CB GLU A 113 -12.780 0.703 8.436 1.00 0.00 C ATOM 1797 CG GLU A 113 -12.145 -0.118 7.325 1.00 0.00 C ATOM 1798 CD GLU A 113 -10.742 -0.577 7.671 1.00 0.00 C ATOM 1799 OE1 GLU A 113 -10.541 -1.069 8.803 1.00 0.00 O ATOM 1800 OE2 GLU A 113 -9.844 -0.446 6.813 1.00 0.00 O ATOM 0 H GLU A 113 -12.650 2.779 7.085 1.00 0.00 H new ATOM 0 HA GLU A 113 -14.682 0.821 7.439 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -12.041 1.403 8.826 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -13.053 0.038 9.256 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -12.768 -0.988 7.119 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -12.115 0.475 6.411 1.00 0.00 H new ATOM 1807 N ALA A 114 -14.205 3.028 9.827 1.00 0.00 N ATOM 1808 CA ALA A 114 -14.721 3.620 11.055 1.00 0.00 C ATOM 1809 C ALA A 114 -16.072 4.325 10.939 1.00 0.00 C ATOM 1810 O ALA A 114 -16.937 4.121 11.793 1.00 0.00 O ATOM 1811 CB ALA A 114 -13.696 4.596 11.606 1.00 0.00 C ATOM 0 H ALA A 114 -13.362 3.483 9.476 1.00 0.00 H new ATOM 0 HA ALA A 114 -14.896 2.778 11.725 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.076 5.042 12.525 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -12.767 4.067 11.817 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.509 5.380 10.872 1.00 0.00 H new ATOM 1817 N SER A 115 -16.248 5.212 9.956 1.00 0.00 N ATOM 1818 CA SER A 115 -17.508 5.971 9.891 1.00 0.00 C ATOM 1819 C SER A 115 -18.320 5.818 8.606 1.00 0.00 C ATOM 1820 O SER A 115 -19.546 5.923 8.648 1.00 0.00 O ATOM 1821 CB SER A 115 -17.224 7.454 10.134 1.00 0.00 C ATOM 1822 OG SER A 115 -15.980 7.833 9.568 1.00 0.00 O ATOM 0 H SER A 115 -15.570 5.420 9.223 1.00 0.00 H new ATOM 0 HA SER A 115 -18.132 5.538 10.672 1.00 0.00 H new ATOM 0 HB2 SER A 115 -18.023 8.056 9.702 1.00 0.00 H new ATOM 0 HB3 SER A 115 -17.217 7.656 11.205 1.00 0.00 H new ATOM 0 HG SER A 115 -15.821 8.786 9.735 1.00 0.00 H new ATOM 1828 N GLY A 116 -17.677 5.603 7.476 1.00 0.00 N ATOM 1829 CA GLY A 116 -18.441 5.487 6.242 1.00 0.00 C ATOM 1830 C GLY A 116 -18.795 4.058 5.905 1.00 0.00 C ATOM 1831 O GLY A 116 -19.776 3.792 5.210 1.00 0.00 O ATOM 0 H GLY A 116 -16.666 5.507 7.381 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -19.356 6.072 6.330 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -17.866 5.917 5.422 1.00 0.00 H new ATOM 1835 N LYS A 117 -17.970 3.147 6.385 1.00 0.00 N ATOM 1836 CA LYS A 117 -18.132 1.717 6.141 1.00 0.00 C ATOM 1837 C LYS A 117 -18.603 1.389 4.718 1.00 0.00 C ATOM 1838 O LYS A 117 -19.400 0.470 4.534 1.00 0.00 O ATOM 1839 CB LYS A 117 -19.096 1.100 7.148 1.00 0.00 C ATOM 1840 CG LYS A 117 -18.952 -0.409 7.253 1.00 0.00 C ATOM 1841 CD LYS A 117 -19.859 -0.985 8.330 1.00 0.00 C ATOM 1842 CE LYS A 117 -19.156 -2.059 9.141 1.00 0.00 C ATOM 1843 NZ LYS A 117 -20.049 -2.641 10.181 1.00 0.00 N ATOM 0 H LYS A 117 -17.160 3.376 6.961 1.00 0.00 H new ATOM 0 HA LYS A 117 -17.139 1.284 6.261 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -18.925 1.546 8.128 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -20.119 1.344 6.861 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -19.191 -0.866 6.293 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -17.915 -0.661 7.476 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -20.189 -0.186 8.993 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -20.752 -1.405 7.867 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -18.811 -2.850 8.475 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -18.272 -1.635 9.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -19.533 -3.370 10.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -20.359 -1.891 10.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -20.880 -3.069 9.725 1.00 0.00 H new ATOM 1857 N PRO A 118 -18.110 2.094 3.677 1.00 0.00 N ATOM 1858 CA PRO A 118 -18.499 1.798 2.300 1.00 0.00 C ATOM 1859 C PRO A 118 -17.691 0.632 1.736 1.00 0.00 C ATOM 1860 O PRO A 118 -17.197 0.697 0.612 1.00 0.00 O ATOM 1861 CB PRO A 118 -18.150 3.087 1.566 1.00 0.00 C ATOM 1862 CG PRO A 118 -16.952 3.599 2.287 1.00 0.00 C ATOM 1863 CD PRO A 118 -17.127 3.201 3.732 1.00 0.00 C ATOM 0 HA PRO A 118 -19.545 1.507 2.207 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -17.934 2.901 0.514 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.972 3.801 1.601 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -16.038 3.173 1.874 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -16.872 4.682 2.189 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -16.185 2.878 4.175 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -17.494 4.032 4.334 1.00 0.00 H new ATOM 1871 N VAL A 119 -17.552 -0.428 2.531 1.00 0.00 N ATOM 1872 CA VAL A 119 -16.787 -1.601 2.117 1.00 0.00 C ATOM 1873 C VAL A 119 -17.686 -2.627 1.431 1.00 0.00 C ATOM 1874 O VAL A 119 -18.840 -2.811 1.814 1.00 0.00 O ATOM 1875 CB VAL A 119 -16.023 -2.257 3.313 1.00 0.00 C ATOM 1876 CG1 VAL A 119 -16.532 -1.751 4.657 1.00 0.00 C ATOM 1877 CG2 VAL A 119 -16.099 -3.779 3.259 1.00 0.00 C ATOM 0 H VAL A 119 -17.959 -0.498 3.464 1.00 0.00 H new ATOM 0 HA VAL A 119 -16.041 -1.256 1.401 1.00 0.00 H new ATOM 0 HB VAL A 119 -14.978 -1.962 3.215 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -15.975 -2.231 5.461 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -16.395 -0.671 4.715 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -17.591 -1.988 4.757 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -15.557 -4.201 4.106 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -17.142 -4.093 3.303 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -15.652 -4.133 2.330 1.00 0.00 H new ATOM 1887 N CYS A 120 -17.128 -3.295 0.422 1.00 0.00 N ATOM 1888 CA CYS A 120 -17.838 -4.322 -0.352 1.00 0.00 C ATOM 1889 C CYS A 120 -19.286 -3.998 -0.699 1.00 0.00 C ATOM 1890 O CYS A 120 -19.979 -3.242 -0.020 1.00 0.00 O ATOM 1891 CB CYS A 120 -17.792 -5.675 0.358 1.00 0.00 C ATOM 1892 SG CYS A 120 -18.372 -7.043 -0.670 1.00 0.00 S ATOM 0 H CYS A 120 -16.168 -3.141 0.115 1.00 0.00 H new ATOM 0 HA CYS A 120 -17.297 -4.355 -1.298 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -16.769 -5.876 0.675 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -18.401 -5.625 1.261 1.00 0.00 H new ATOM 1897 N ARG A 121 -19.720 -4.634 -1.785 1.00 0.00 N ATOM 1898 CA ARG A 121 -21.068 -4.518 -2.308 1.00 0.00 C ATOM 1899 C ARG A 121 -21.169 -5.309 -3.608 1.00 0.00 C ATOM 1900 O ARG A 121 -21.813 -4.874 -4.562 1.00 0.00 O ATOM 1901 CB ARG A 121 -21.443 -3.057 -2.555 1.00 0.00 C ATOM 1902 CG ARG A 121 -22.942 -2.833 -2.646 1.00 0.00 C ATOM 1903 CD ARG A 121 -23.270 -1.541 -3.376 1.00 0.00 C ATOM 1904 NE ARG A 121 -24.219 -0.715 -2.632 1.00 0.00 N ATOM 1905 CZ ARG A 121 -25.476 -1.076 -2.378 1.00 0.00 C ATOM 1906 NH1 ARG A 121 -25.937 -2.242 -2.808 1.00 0.00 N ATOM 1907 NH2 ARG A 121 -26.274 -0.267 -1.695 1.00 0.00 N ATOM 0 H ARG A 121 -19.127 -5.257 -2.334 1.00 0.00 H new ATOM 0 HA ARG A 121 -21.764 -4.920 -1.572 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -21.038 -2.443 -1.750 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -20.975 -2.719 -3.480 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -23.405 -3.672 -3.164 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -23.368 -2.803 -1.643 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -22.353 -0.977 -3.544 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -23.684 -1.774 -4.357 1.00 0.00 H new ATOM 0 HE ARG A 121 -23.900 0.191 -2.287 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -25.329 -2.868 -3.336 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -26.900 -2.514 -2.611 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -25.926 0.633 -1.364 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -27.236 -0.544 -1.501 1.00 0.00 H new ATOM 1921 N CYS A 122 -20.509 -6.473 -3.647 1.00 0.00 N ATOM 1922 CA CYS A 122 -20.527 -7.297 -4.852 1.00 0.00 C ATOM 1923 C CYS A 122 -21.941 -7.750 -5.180 1.00 0.00 C ATOM 1924 O CYS A 122 -22.804 -7.848 -4.306 1.00 0.00 O ATOM 1925 CB CYS A 122 -19.598 -8.536 -4.786 1.00 0.00 C ATOM 1926 SG CYS A 122 -18.639 -8.780 -3.270 1.00 0.00 S ATOM 0 H CYS A 122 -19.967 -6.856 -2.872 1.00 0.00 H new ATOM 0 HA CYS A 122 -20.142 -6.652 -5.642 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -20.210 -9.424 -4.944 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -18.899 -8.478 -5.621 1.00 0.00 H new ATOM 1931 N ALA A 123 -22.156 -8.021 -6.457 1.00 0.00 N ATOM 1932 CA ALA A 123 -23.437 -8.465 -6.969 1.00 0.00 C ATOM 1933 C ALA A 123 -23.304 -8.623 -8.468 1.00 0.00 C ATOM 1934 O ALA A 123 -23.906 -9.504 -9.083 1.00 0.00 O ATOM 1935 CB ALA A 123 -24.538 -7.475 -6.621 1.00 0.00 C ATOM 0 H ALA A 123 -21.435 -7.937 -7.174 1.00 0.00 H new ATOM 0 HA ALA A 123 -23.713 -9.416 -6.513 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -25.488 -7.833 -7.017 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -24.610 -7.377 -5.538 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -24.306 -6.504 -7.058 1.00 0.00 H new ATOM 1941 N GLU A 124 -22.473 -7.756 -9.040 1.00 0.00 N ATOM 1942 CA GLU A 124 -22.200 -7.770 -10.452 1.00 0.00 C ATOM 1943 C GLU A 124 -20.810 -7.242 -10.725 1.00 0.00 C ATOM 1944 O GLU A 124 -20.142 -6.736 -9.824 1.00 0.00 O ATOM 1945 CB GLU A 124 -23.236 -6.953 -11.201 1.00 0.00 C ATOM 1946 CG GLU A 124 -24.230 -6.228 -10.307 1.00 0.00 C ATOM 1947 CD GLU A 124 -25.287 -5.479 -11.096 1.00 0.00 C ATOM 1948 OE1 GLU A 124 -26.015 -6.127 -11.877 1.00 0.00 O ATOM 1949 OE2 GLU A 124 -25.387 -4.245 -10.931 1.00 0.00 O ATOM 0 H GLU A 124 -21.976 -7.028 -8.527 1.00 0.00 H new ATOM 0 HA GLU A 124 -22.254 -8.800 -10.805 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -22.723 -6.219 -11.823 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -23.784 -7.613 -11.873 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -24.716 -6.950 -9.650 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -23.694 -5.526 -9.668 1.00 0.00 H new ATOM 1956 N VAL A 125 -20.364 -7.382 -11.968 1.00 0.00 N ATOM 1957 CA VAL A 125 -19.030 -6.934 -12.341 1.00 0.00 C ATOM 1958 C VAL A 125 -18.012 -7.516 -11.355 1.00 0.00 C ATOM 1959 O VAL A 125 -18.379 -8.318 -10.496 1.00 0.00 O ATOM 1960 CB VAL A 125 -18.950 -5.382 -12.387 1.00 0.00 C ATOM 1961 CG1 VAL A 125 -20.236 -4.805 -12.957 1.00 0.00 C ATOM 1962 CG2 VAL A 125 -18.668 -4.779 -11.012 1.00 0.00 C ATOM 0 H VAL A 125 -20.902 -7.799 -12.728 1.00 0.00 H new ATOM 0 HA VAL A 125 -18.799 -7.292 -13.344 1.00 0.00 H new ATOM 0 HB VAL A 125 -18.115 -5.120 -13.037 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -20.166 -3.718 -12.984 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -20.388 -5.184 -13.968 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -21.077 -5.100 -12.329 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -18.621 -3.693 -11.094 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -19.465 -5.057 -10.322 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -17.716 -5.156 -10.637 1.00 0.00 H new ATOM 1972 N PRO A 126 -16.729 -7.143 -11.440 1.00 0.00 N ATOM 1973 CA PRO A 126 -15.726 -7.664 -10.525 1.00 0.00 C ATOM 1974 C PRO A 126 -15.659 -6.862 -9.226 1.00 0.00 C ATOM 1975 O PRO A 126 -14.569 -6.554 -8.744 1.00 0.00 O ATOM 1976 CB PRO A 126 -14.437 -7.516 -11.330 1.00 0.00 C ATOM 1977 CG PRO A 126 -14.657 -6.311 -12.184 1.00 0.00 C ATOM 1978 CD PRO A 126 -16.147 -6.199 -12.413 1.00 0.00 C ATOM 0 HA PRO A 126 -15.933 -8.685 -10.206 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -13.575 -7.385 -10.676 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -14.246 -8.401 -11.937 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -14.274 -5.416 -11.694 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -14.127 -6.408 -13.132 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -16.502 -5.182 -12.244 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -16.415 -6.464 -13.436 1.00 0.00 H new ATOM 1986 N CYS A 127 -16.833 -6.524 -8.658 1.00 0.00 N ATOM 1987 CA CYS A 127 -16.888 -5.749 -7.408 1.00 0.00 C ATOM 1988 C CYS A 127 -15.758 -4.704 -7.371 1.00 0.00 C ATOM 1989 O CYS A 127 -14.843 -4.811 -6.560 1.00 0.00 O ATOM 1990 CB CYS A 127 -16.783 -6.697 -6.187 1.00 0.00 C ATOM 1991 SG CYS A 127 -17.550 -6.100 -4.643 1.00 0.00 S ATOM 0 H CYS A 127 -17.745 -6.773 -9.041 1.00 0.00 H new ATOM 0 HA CYS A 127 -17.843 -5.226 -7.366 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -17.241 -7.650 -6.452 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -15.728 -6.893 -5.993 1.00 0.00 H new ATOM 1996 N LYS A 128 -15.812 -3.700 -8.259 1.00 0.00 N ATOM 1997 CA LYS A 128 -14.783 -2.664 -8.303 1.00 0.00 C ATOM 1998 C LYS A 128 -13.469 -3.224 -8.817 1.00 0.00 C ATOM 1999 O LYS A 128 -13.427 -4.320 -9.379 1.00 0.00 O ATOM 2000 CB LYS A 128 -14.560 -2.109 -6.903 1.00 0.00 C ATOM 2001 CG LYS A 128 -14.866 -0.630 -6.765 1.00 0.00 C ATOM 2002 CD LYS A 128 -16.345 -0.340 -6.966 1.00 0.00 C ATOM 2003 CE LYS A 128 -16.845 0.731 -6.005 1.00 0.00 C ATOM 2004 NZ LYS A 128 -17.892 0.205 -5.082 1.00 0.00 N ATOM 0 H LYS A 128 -16.554 -3.588 -8.950 1.00 0.00 H new ATOM 0 HA LYS A 128 -15.122 -1.877 -8.977 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -15.182 -2.664 -6.201 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -13.523 -2.282 -6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -14.559 -0.285 -5.778 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -14.283 -0.068 -7.495 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -16.516 -0.016 -7.993 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -16.918 -1.256 -6.821 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -16.008 1.116 -5.423 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -17.250 1.569 -6.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -18.194 0.960 -4.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -18.709 -0.123 -5.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -17.504 -0.589 -4.533 1.00 0.00 H new ATOM 2018 N GLY A 129 -12.384 -2.487 -8.565 1.00 0.00 N ATOM 2019 CA GLY A 129 -11.069 -2.962 -8.951 1.00 0.00 C ATOM 2020 C GLY A 129 -10.923 -4.376 -8.464 1.00 0.00 C ATOM 2021 O GLY A 129 -10.954 -5.321 -9.253 1.00 0.00 O ATOM 0 H GLY A 129 -12.396 -1.577 -8.104 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -10.951 -2.918 -10.034 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -10.294 -2.329 -8.520 1.00 0.00 H new ATOM 2025 N ASP A 130 -10.857 -4.532 -7.144 1.00 0.00 N ATOM 2026 CA ASP A 130 -10.819 -5.874 -6.574 1.00 0.00 C ATOM 2027 C ASP A 130 -11.787 -6.009 -5.407 1.00 0.00 C ATOM 2028 O ASP A 130 -11.604 -5.422 -4.336 1.00 0.00 O ATOM 2029 CB ASP A 130 -9.435 -6.218 -6.062 1.00 0.00 C ATOM 2030 CG ASP A 130 -8.330 -5.865 -7.038 1.00 0.00 C ATOM 2031 OD1 ASP A 130 -8.433 -6.258 -8.219 1.00 0.00 O ATOM 2032 OD2 ASP A 130 -7.359 -5.201 -6.619 1.00 0.00 O ATOM 0 H ASP A 130 -10.829 -3.770 -6.467 1.00 0.00 H new ATOM 0 HA ASP A 130 -11.102 -6.554 -7.377 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -9.262 -5.693 -5.122 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -9.391 -7.285 -5.844 1.00 0.00 H new ATOM 2037 N CYS A 131 -12.783 -6.838 -5.585 1.00 0.00 N ATOM 2038 CA CYS A 131 -13.745 -7.090 -4.537 1.00 0.00 C ATOM 2039 C CYS A 131 -14.012 -5.845 -3.681 1.00 0.00 C ATOM 2040 O CYS A 131 -13.469 -5.706 -2.591 1.00 0.00 O ATOM 2041 CB CYS A 131 -13.261 -8.239 -3.654 1.00 0.00 C ATOM 2042 SG CYS A 131 -14.185 -9.777 -3.874 1.00 0.00 S ATOM 0 H CYS A 131 -12.952 -7.353 -6.449 1.00 0.00 H new ATOM 0 HA CYS A 131 -14.686 -7.362 -5.015 1.00 0.00 H new ATOM 0 HB2 CYS A 131 -12.208 -8.427 -3.865 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -13.328 -7.934 -2.610 1.00 0.00 H new ATOM 0 HG CYS A 131 -13.701 -10.691 -3.086 1.00 0.00 H new ATOM 2048 N ALA A 132 -14.862 -4.962 -4.191 1.00 0.00 N ATOM 2049 CA ALA A 132 -15.274 -3.728 -3.494 1.00 0.00 C ATOM 2050 C ALA A 132 -16.046 -2.789 -4.410 1.00 0.00 C ATOM 2051 O ALA A 132 -16.928 -3.280 -5.147 1.00 0.00 O ATOM 2052 CB ALA A 132 -14.098 -3.010 -2.851 1.00 0.00 C ATOM 2053 OXT ALA A 132 -15.778 -1.569 -4.376 1.00 0.00 O ATOM 0 H ALA A 132 -15.294 -5.074 -5.108 1.00 0.00 H new ATOM 0 HA ALA A 132 -15.945 -4.039 -2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -14.452 -2.108 -2.351 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -13.625 -3.668 -2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -13.374 -2.738 -3.619 1.00 0.00 H new TER 2059 ALA A 132 HETATM 2060 ZN ZN A 201 -16.813 -7.542 -2.629 1.00 0.00 ZN