USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=34 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 Set 1.1: A 54 LYS NZ :NH3+ -158:sc= 0 (180deg=0) USER MOD Set 1.2: A 57 HIS : no HD1:sc= -0.0153 X(o=-0.015,f=0.0029) USER MOD Single : A 1 MET CE :methyl -159:sc= -0.469 (180deg=-1.41!) USER MOD Single : A 1 MET N :NH3+ 128:sc= 0.0601 (180deg=-0.103) USER MOD Single : A 3 MET CE :methyl -152:sc= -0.143 (180deg=-0.738) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 53:sc= -0.483 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0628 X(o=-0.063,f=-0.075) USER MOD Single : A 19 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-1.3) USER MOD Single : A 23 ASN : amide:sc= -3.37! C(o=-3.4!,f=-5.8!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -2.02 X(o=-2,f=-1.9) USER MOD Single : A 43 SER OG : rot 78:sc= 1.56 USER MOD Single : A 45 HIS : no HE2:sc= -9.37! C(o=-9.4!,f=-13!) USER MOD Single : A 46 TYR OH : rot 15:sc= -0.348 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.0337 USER MOD Single : A 60 GLN :FLIP amide:sc= -0.406 F(o=-0.99,f=-0.41) USER MOD Single : A 61 ASN :FLIP amide:sc= -1.32 F(o=-4.6!,f=-1.3) USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0405) USER MOD Single : A 65 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.22) USER MOD Single : A 67 THR OG1 : rot -88:sc= -3.62! USER MOD Single : A 71 HIS : no HD1:sc= -13.6! C(o=-14!,f=-17!) USER MOD Single : A 72 SER OG : rot -150:sc= -0.931 USER MOD Single : A 75 SER OG : rot 99:sc= -1.94 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.0352 F(o=-0.73,f=-0.035) USER MOD Single : A 81 THR OG1 : rot -136:sc= -1.75 USER MOD Single : A 82 CYS SG : rot 149:sc= 0.0484 USER MOD Single : A 88 ASN : amide:sc= -3.81 X(o=-3.8,f=-3.7!) USER MOD Single : A 89 TYR OH : rot -60:sc= -4.6! USER MOD Single : A 93 LYS NZ :NH3+ 166:sc= 0.759 (180deg=0.501) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 85:sc= 0.101 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 MET CE :methyl 170:sc= -2.63 (180deg=-3.01) USER MOD Single : A 110 ASN : amide:sc= -0.305 X(o=-0.31,f=-0.11) 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+ 163:sc= -0.0433 (180deg=-0.316) USER MOD Single : A 131 CYS SG : rot 180:sc= 0.126 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.602 23.479 7.779 1.00 0.00 N ATOM 2 CA MET A 1 8.716 22.685 8.359 1.00 0.00 C ATOM 3 C MET A 1 8.205 21.706 9.411 1.00 0.00 C ATOM 4 O MET A 1 6.998 21.496 9.543 1.00 0.00 O ATOM 5 CB MET A 1 9.730 23.649 8.979 1.00 0.00 C ATOM 6 CG MET A 1 9.188 24.420 10.173 1.00 0.00 C ATOM 7 SD MET A 1 10.429 25.483 10.935 1.00 0.00 S ATOM 8 CE MET A 1 11.800 24.341 11.095 1.00 0.00 C ATOM 0 H1 MET A 1 7.832 24.492 7.835 1.00 0.00 H new ATOM 0 H2 MET A 1 7.465 23.210 6.784 1.00 0.00 H new ATOM 0 H3 MET A 1 6.728 23.292 8.311 1.00 0.00 H new ATOM 0 HA MET A 1 9.189 22.100 7.570 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.610 23.086 9.290 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.057 24.358 8.218 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.341 25.028 9.854 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.813 23.716 10.916 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.489 24.704 11.858 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.424 23.359 11.383 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.322 24.264 10.141 1.00 0.00 H new ATOM 18 N ALA A 2 9.129 21.109 10.159 1.00 0.00 N ATOM 19 CA ALA A 2 8.772 20.152 11.200 1.00 0.00 C ATOM 20 C ALA A 2 8.140 18.898 10.603 1.00 0.00 C ATOM 21 O ALA A 2 6.917 18.771 10.552 1.00 0.00 O ATOM 22 CB ALA A 2 7.828 20.792 12.209 1.00 0.00 C ATOM 0 H ALA A 2 10.131 21.272 10.063 1.00 0.00 H new ATOM 0 HA ALA A 2 9.687 19.857 11.713 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.571 20.065 12.979 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.316 21.651 12.669 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.920 21.119 11.702 1.00 0.00 H new ATOM 28 N MET A 3 8.982 17.973 10.152 1.00 0.00 N ATOM 29 CA MET A 3 8.505 16.729 9.559 1.00 0.00 C ATOM 30 C MET A 3 9.623 15.691 9.499 1.00 0.00 C ATOM 31 O MET A 3 10.675 15.932 8.909 1.00 0.00 O ATOM 32 CB MET A 3 7.955 16.985 8.154 1.00 0.00 C ATOM 33 CG MET A 3 8.835 17.891 7.309 1.00 0.00 C ATOM 34 SD MET A 3 8.134 19.537 7.087 1.00 0.00 S ATOM 35 CE MET A 3 6.641 19.151 6.176 1.00 0.00 C ATOM 0 H MET A 3 9.998 18.062 10.186 1.00 0.00 H new ATOM 0 HA MET A 3 7.705 16.340 10.189 1.00 0.00 H new ATOM 0 HB2 MET A 3 7.833 16.031 7.642 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.964 17.431 8.237 1.00 0.00 H new ATOM 0 HG2 MET A 3 9.815 17.979 7.778 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.989 17.432 6.332 1.00 0.00 H new ATOM 0 HE1 MET A 3 6.366 20.001 5.551 1.00 0.00 H new ATOM 0 HE2 MET A 3 6.814 18.279 5.546 1.00 0.00 H new ATOM 0 HE3 MET A 3 5.833 18.938 6.876 1.00 0.00 H new ATOM 45 N ALA A 4 9.386 14.538 10.116 1.00 0.00 N ATOM 46 CA ALA A 4 10.373 13.464 10.133 1.00 0.00 C ATOM 47 C ALA A 4 10.051 12.402 9.085 1.00 0.00 C ATOM 48 O ALA A 4 9.265 12.640 8.168 1.00 0.00 O ATOM 49 CB ALA A 4 10.443 12.842 11.521 1.00 0.00 C ATOM 0 H ALA A 4 8.520 14.323 10.610 1.00 0.00 H new ATOM 0 HA ALA A 4 11.346 13.889 9.886 1.00 0.00 H new ATOM 0 HB1 ALA A 4 11.182 12.041 11.524 1.00 0.00 H new ATOM 0 HB2 ALA A 4 10.729 13.603 12.247 1.00 0.00 H new ATOM 0 HB3 ALA A 4 9.467 12.436 11.787 1.00 0.00 H new ATOM 55 N ARG A 5 10.664 11.228 9.227 1.00 0.00 N ATOM 56 CA ARG A 5 10.444 10.125 8.295 1.00 0.00 C ATOM 57 C ARG A 5 11.124 10.397 6.956 1.00 0.00 C ATOM 58 O ARG A 5 11.320 11.550 6.571 1.00 0.00 O ATOM 59 CB ARG A 5 8.945 9.891 8.081 1.00 0.00 C ATOM 60 CG ARG A 5 8.127 9.959 9.362 1.00 0.00 C ATOM 61 CD ARG A 5 6.700 9.484 9.140 1.00 0.00 C ATOM 62 NE ARG A 5 5.720 10.435 9.660 1.00 0.00 N ATOM 63 CZ ARG A 5 4.422 10.398 9.368 1.00 0.00 C ATOM 64 NH1 ARG A 5 3.942 9.460 8.561 1.00 0.00 N ATOM 65 NH2 ARG A 5 3.600 11.301 9.886 1.00 0.00 N ATOM 0 H ARG A 5 11.318 11.017 9.980 1.00 0.00 H new ATOM 0 HA ARG A 5 10.883 9.228 8.731 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.567 10.634 7.379 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.801 8.914 7.620 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.600 9.346 10.129 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.116 10.984 9.734 1.00 0.00 H new ATOM 0 HD2 ARG A 5 6.529 9.334 8.074 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.560 8.518 9.624 1.00 0.00 H new ATOM 0 HE ARG A 5 6.050 11.171 10.284 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.569 8.762 8.161 1.00 0.00 H new ATOM 0 HH12 ARG A 5 2.946 9.437 8.341 1.00 0.00 H new ATOM 0 HH21 ARG A 5 3.963 12.024 10.508 1.00 0.00 H new ATOM 0 HH22 ARG A 5 2.605 11.273 9.662 1.00 0.00 H new ATOM 79 N SER A 6 11.483 9.327 6.252 1.00 0.00 N ATOM 80 CA SER A 6 12.143 9.447 4.956 1.00 0.00 C ATOM 81 C SER A 6 11.125 9.400 3.819 1.00 0.00 C ATOM 82 O SER A 6 11.110 10.273 2.951 1.00 0.00 O ATOM 83 CB SER A 6 13.176 8.333 4.780 1.00 0.00 C ATOM 84 OG SER A 6 13.993 8.208 5.931 1.00 0.00 O ATOM 0 H SER A 6 11.328 8.366 6.558 1.00 0.00 H new ATOM 0 HA SER A 6 12.651 10.411 4.924 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.667 7.388 4.587 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.798 8.544 3.910 1.00 0.00 H new ATOM 0 HG SER A 6 14.644 7.488 5.794 1.00 0.00 H new ATOM 90 N ILE A 7 10.273 8.377 3.832 1.00 0.00 N ATOM 91 CA ILE A 7 9.245 8.218 2.805 1.00 0.00 C ATOM 92 C ILE A 7 8.423 9.499 2.651 1.00 0.00 C ATOM 93 O ILE A 7 8.678 10.488 3.338 1.00 0.00 O ATOM 94 CB ILE A 7 8.304 7.038 3.137 1.00 0.00 C ATOM 95 CG1 ILE A 7 7.387 7.388 4.312 1.00 0.00 C ATOM 96 CG2 ILE A 7 9.118 5.791 3.451 1.00 0.00 C ATOM 97 CD1 ILE A 7 8.128 7.635 5.607 1.00 0.00 C ATOM 0 H ILE A 7 10.274 7.645 4.543 1.00 0.00 H new ATOM 0 HA ILE A 7 9.755 8.008 1.865 1.00 0.00 H new ATOM 0 HB ILE A 7 7.679 6.840 2.266 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.809 8.277 4.059 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.675 6.576 4.460 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.445 4.966 3.683 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.729 5.528 2.587 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.764 5.984 4.307 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.414 7.877 6.394 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.684 6.740 5.885 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.821 8.466 5.477 1.00 0.00 H new ATOM 109 N SER A 8 7.439 9.487 1.752 1.00 0.00 N ATOM 110 CA SER A 8 6.608 10.672 1.545 1.00 0.00 C ATOM 111 C SER A 8 5.121 10.355 1.646 1.00 0.00 C ATOM 112 O SER A 8 4.624 9.450 1.001 1.00 0.00 O ATOM 113 CB SER A 8 6.898 11.309 0.191 1.00 0.00 C ATOM 114 OG SER A 8 8.287 11.523 0.009 1.00 0.00 O ATOM 0 H SER A 8 7.201 8.687 1.166 1.00 0.00 H new ATOM 0 HA SER A 8 6.862 11.373 2.340 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.520 10.666 -0.604 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.368 12.258 0.113 1.00 0.00 H new ATOM 0 HG SER A 8 8.443 11.931 -0.868 1.00 0.00 H new ATOM 120 N TYR A 9 4.419 11.135 2.444 1.00 0.00 N ATOM 121 CA TYR A 9 2.970 10.961 2.630 1.00 0.00 C ATOM 122 C TYR A 9 2.197 11.831 1.651 1.00 0.00 C ATOM 123 O TYR A 9 2.696 12.865 1.205 1.00 0.00 O ATOM 124 CB TYR A 9 2.539 11.284 4.072 1.00 0.00 C ATOM 125 CG TYR A 9 3.519 12.138 4.842 1.00 0.00 C ATOM 126 CD1 TYR A 9 4.142 13.207 4.231 1.00 0.00 C ATOM 127 CD2 TYR A 9 3.817 11.871 6.171 1.00 0.00 C ATOM 128 CE1 TYR A 9 5.047 13.994 4.915 1.00 0.00 C ATOM 129 CE2 TYR A 9 4.720 12.653 6.867 1.00 0.00 C ATOM 130 CZ TYR A 9 5.332 13.713 6.235 1.00 0.00 C ATOM 131 OH TYR A 9 6.234 14.493 6.923 1.00 0.00 O ATOM 0 H TYR A 9 4.820 11.903 2.982 1.00 0.00 H new ATOM 0 HA TYR A 9 2.741 9.913 2.436 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.576 11.794 4.044 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.389 10.349 4.611 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.918 13.432 3.199 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.337 11.041 6.668 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.529 14.824 4.420 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.944 12.434 7.900 1.00 0.00 H new ATOM 0 HH TYR A 9 5.978 15.436 6.845 1.00 0.00 H new ATOM 141 N ILE A 10 0.976 11.417 1.314 1.00 0.00 N ATOM 142 CA ILE A 10 0.166 12.193 0.379 1.00 0.00 C ATOM 143 C ILE A 10 -1.202 12.538 0.956 1.00 0.00 C ATOM 144 O ILE A 10 -1.900 11.683 1.500 1.00 0.00 O ATOM 145 CB ILE A 10 -0.037 11.440 -0.952 1.00 0.00 C ATOM 146 CG1 ILE A 10 -0.732 10.099 -0.708 1.00 0.00 C ATOM 147 CG2 ILE A 10 1.296 11.232 -1.654 1.00 0.00 C ATOM 148 CD1 ILE A 10 -2.232 10.152 -0.899 1.00 0.00 C ATOM 0 H ILE A 10 0.534 10.568 1.666 1.00 0.00 H new ATOM 0 HA ILE A 10 0.718 13.115 0.198 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.674 12.044 -1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.314 9.354 -1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.515 9.766 0.307 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.134 10.699 -2.591 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.753 12.200 -1.861 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.957 10.648 -1.014 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.658 9.167 -0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.662 10.873 -0.204 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.458 10.455 -1.921 1.00 0.00 H new ATOM 160 N THR A 11 -1.579 13.804 0.808 1.00 0.00 N ATOM 161 CA THR A 11 -2.868 14.295 1.285 1.00 0.00 C ATOM 162 C THR A 11 -3.898 14.289 0.159 1.00 0.00 C ATOM 163 O THR A 11 -3.552 14.094 -1.005 1.00 0.00 O ATOM 164 CB THR A 11 -2.722 15.708 1.850 1.00 0.00 C ATOM 165 OG1 THR A 11 -1.457 15.875 2.465 1.00 0.00 O ATOM 166 CG2 THR A 11 -3.781 16.053 2.873 1.00 0.00 C ATOM 0 H THR A 11 -1.004 14.515 0.357 1.00 0.00 H new ATOM 0 HA THR A 11 -3.214 13.630 2.076 1.00 0.00 H new ATOM 0 HB THR A 11 -2.834 16.375 0.995 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.383 16.786 2.818 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.621 17.069 3.234 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.767 15.983 2.414 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.720 15.357 3.709 1.00 0.00 H new ATOM 174 N SER A 12 -5.160 14.526 0.505 1.00 0.00 N ATOM 175 CA SER A 12 -6.223 14.570 -0.494 1.00 0.00 C ATOM 176 C SER A 12 -5.967 15.716 -1.468 1.00 0.00 C ATOM 177 O SER A 12 -6.184 15.588 -2.673 1.00 0.00 O ATOM 178 CB SER A 12 -7.587 14.743 0.176 1.00 0.00 C ATOM 179 OG SER A 12 -7.587 15.855 1.055 1.00 0.00 O ATOM 0 H SER A 12 -5.470 14.690 1.463 1.00 0.00 H new ATOM 0 HA SER A 12 -6.228 13.627 -1.041 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.355 14.878 -0.586 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.841 13.839 0.729 1.00 0.00 H new ATOM 0 HG SER A 12 -8.471 15.945 1.469 1.00 0.00 H new ATOM 185 N THR A 13 -5.486 16.831 -0.926 1.00 0.00 N ATOM 186 CA THR A 13 -5.169 18.011 -1.721 1.00 0.00 C ATOM 187 C THR A 13 -3.871 17.811 -2.476 1.00 0.00 C ATOM 188 O THR A 13 -3.720 18.277 -3.602 1.00 0.00 O ATOM 189 CB THR A 13 -5.070 19.257 -0.849 1.00 0.00 C ATOM 190 OG1 THR A 13 -4.150 19.059 0.211 1.00 0.00 O ATOM 191 CG2 THR A 13 -6.392 19.677 -0.242 1.00 0.00 C ATOM 0 H THR A 13 -5.306 16.941 0.072 1.00 0.00 H new ATOM 0 HA THR A 13 -5.981 18.154 -2.434 1.00 0.00 H new ATOM 0 HB THR A 13 -4.734 20.048 -1.520 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.100 19.871 0.757 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.246 20.570 0.366 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.106 19.892 -1.037 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.777 18.872 0.383 1.00 0.00 H new ATOM 199 N GLN A 14 -2.928 17.112 -1.855 1.00 0.00 N ATOM 200 CA GLN A 14 -1.646 16.859 -2.491 1.00 0.00 C ATOM 201 C GLN A 14 -1.874 16.173 -3.833 1.00 0.00 C ATOM 202 O GLN A 14 -1.027 16.225 -4.724 1.00 0.00 O ATOM 203 CB GLN A 14 -0.779 15.981 -1.591 1.00 0.00 C ATOM 204 CG GLN A 14 -0.216 16.720 -0.389 1.00 0.00 C ATOM 205 CD GLN A 14 0.849 17.728 -0.771 1.00 0.00 C ATOM 206 OE1 GLN A 14 1.852 17.383 -1.394 1.00 0.00 O ATOM 207 NE2 GLN A 14 0.636 18.985 -0.398 1.00 0.00 N ATOM 0 H GLN A 14 -3.027 16.715 -0.921 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.130 17.805 -2.654 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -1.371 15.134 -1.243 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.045 15.575 -2.177 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.026 17.232 0.130 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.206 15.999 0.311 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.210 19.228 0.118 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.318 19.708 -0.627 1.00 0.00 H new ATOM 216 N LEU A 15 -3.049 15.563 -3.979 1.00 0.00 N ATOM 217 CA LEU A 15 -3.422 14.908 -5.219 1.00 0.00 C ATOM 218 C LEU A 15 -3.788 15.945 -6.284 1.00 0.00 C ATOM 219 O LEU A 15 -3.660 15.680 -7.479 1.00 0.00 O ATOM 220 CB LEU A 15 -4.600 13.958 -4.985 1.00 0.00 C ATOM 221 CG LEU A 15 -5.218 13.363 -6.253 1.00 0.00 C ATOM 222 CD1 LEU A 15 -5.783 11.979 -5.973 1.00 0.00 C ATOM 223 CD2 LEU A 15 -6.300 14.283 -6.802 1.00 0.00 C ATOM 0 H LEU A 15 -3.758 15.512 -3.247 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.568 14.330 -5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.266 13.141 -4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.376 14.494 -4.439 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.435 13.267 -7.005 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.218 11.572 -6.886 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.984 11.323 -5.628 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.553 12.049 -5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.728 13.844 -7.703 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.082 14.411 -6.054 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.865 15.253 -7.042 1.00 0.00 H new ATOM 235 N LEU A 16 -4.260 17.125 -5.854 1.00 0.00 N ATOM 236 CA LEU A 16 -4.649 18.168 -6.806 1.00 0.00 C ATOM 237 C LEU A 16 -3.474 18.563 -7.708 1.00 0.00 C ATOM 238 O LEU A 16 -3.594 18.547 -8.934 1.00 0.00 O ATOM 239 CB LEU A 16 -5.193 19.396 -6.057 1.00 0.00 C ATOM 240 CG LEU A 16 -4.862 20.759 -6.676 1.00 0.00 C ATOM 241 CD1 LEU A 16 -5.486 20.884 -8.057 1.00 0.00 C ATOM 242 CD2 LEU A 16 -5.340 21.884 -5.769 1.00 0.00 C ATOM 0 H LEU A 16 -4.379 17.375 -4.872 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.437 17.768 -7.444 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.277 19.304 -5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.805 19.377 -5.038 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.780 20.837 -6.781 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.240 21.858 -8.481 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.097 20.098 -8.704 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.569 20.786 -7.977 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.097 22.845 -6.223 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.419 21.809 -5.634 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.846 21.805 -4.800 1.00 0.00 H new ATOM 254 N PRO A 17 -2.322 18.923 -7.117 1.00 0.00 N ATOM 255 CA PRO A 17 -1.135 19.318 -7.876 1.00 0.00 C ATOM 256 C PRO A 17 -0.351 18.119 -8.401 1.00 0.00 C ATOM 257 O PRO A 17 0.102 18.113 -9.545 1.00 0.00 O ATOM 258 CB PRO A 17 -0.311 20.082 -6.845 1.00 0.00 C ATOM 259 CG PRO A 17 -0.656 19.440 -5.546 1.00 0.00 C ATOM 260 CD PRO A 17 -2.088 18.984 -5.662 1.00 0.00 C ATOM 0 HA PRO A 17 -1.389 19.897 -8.764 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.756 20.007 -7.054 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -0.562 21.143 -6.843 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.004 18.597 -5.342 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.538 20.144 -4.722 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.237 18.012 -5.192 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.770 19.681 -5.176 1.00 0.00 H new ATOM 268 N LEU A 18 -0.193 17.106 -7.554 1.00 0.00 N ATOM 269 CA LEU A 18 0.542 15.901 -7.928 1.00 0.00 C ATOM 270 C LEU A 18 -0.097 15.220 -9.137 1.00 0.00 C ATOM 271 O LEU A 18 0.571 14.498 -9.877 1.00 0.00 O ATOM 272 CB LEU A 18 0.597 14.930 -6.744 1.00 0.00 C ATOM 273 CG LEU A 18 1.704 13.871 -6.809 1.00 0.00 C ATOM 274 CD1 LEU A 18 1.323 12.763 -7.776 1.00 0.00 C ATOM 275 CD2 LEU A 18 3.030 14.501 -7.211 1.00 0.00 C ATOM 0 H LEU A 18 -0.564 17.095 -6.604 1.00 0.00 H new ATOM 0 HA LEU A 18 1.557 16.192 -8.200 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.724 15.508 -5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.364 14.421 -6.669 1.00 0.00 H new ATOM 0 HG LEU A 18 1.822 13.437 -5.816 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.120 12.020 -7.810 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.400 12.290 -7.442 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.176 13.183 -8.771 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.801 13.732 -7.251 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.930 14.965 -8.192 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.310 15.258 -6.478 1.00 0.00 H new ATOM 287 N HIS A 19 -1.393 15.456 -9.331 1.00 0.00 N ATOM 288 CA HIS A 19 -2.131 14.873 -10.451 1.00 0.00 C ATOM 289 C HIS A 19 -2.399 13.379 -10.245 1.00 0.00 C ATOM 290 O HIS A 19 -2.969 12.726 -11.116 1.00 0.00 O ATOM 291 CB HIS A 19 -1.376 15.089 -11.766 1.00 0.00 C ATOM 292 CG HIS A 19 -0.916 16.500 -11.963 1.00 0.00 C ATOM 293 ND1 HIS A 19 -1.757 17.589 -11.853 1.00 0.00 N ATOM 294 CD2 HIS A 19 0.305 17.000 -12.265 1.00 0.00 C ATOM 295 CE1 HIS A 19 -1.071 18.696 -12.079 1.00 0.00 C ATOM 296 NE2 HIS A 19 0.181 18.365 -12.332 1.00 0.00 N ATOM 0 H HIS A 19 -1.957 16.050 -8.723 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.093 15.383 -10.500 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.511 14.426 -11.793 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.021 14.806 -12.598 1.00 0.00 H new ATOM 0 HD2 HIS A 19 1.209 16.431 -12.424 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -1.468 19.700 -12.060 1.00 0.00 H new ATOM 0 HE2 HIS A 19 0.935 19.018 -12.543 1.00 0.00 H new ATOM 305 N ARG A 20 -1.988 12.850 -9.087 1.00 0.00 N ATOM 306 CA ARG A 20 -2.185 11.435 -8.749 1.00 0.00 C ATOM 307 C ARG A 20 -1.048 10.560 -9.280 1.00 0.00 C ATOM 308 O ARG A 20 -0.756 9.506 -8.717 1.00 0.00 O ATOM 309 CB ARG A 20 -3.546 10.925 -9.258 1.00 0.00 C ATOM 310 CG ARG A 20 -3.484 10.152 -10.571 1.00 0.00 C ATOM 311 CD ARG A 20 -4.755 10.334 -11.384 1.00 0.00 C ATOM 312 NE ARG A 20 -4.624 9.788 -12.733 1.00 0.00 N ATOM 313 CZ ARG A 20 -3.846 10.316 -13.674 1.00 0.00 C ATOM 314 NH1 ARG A 20 -3.132 11.407 -13.421 1.00 0.00 N ATOM 315 NH2 ARG A 20 -3.782 9.753 -14.872 1.00 0.00 N ATOM 0 H ARG A 20 -1.512 13.386 -8.362 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.177 11.362 -7.661 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.987 10.284 -8.495 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.214 11.777 -9.384 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.627 10.490 -11.153 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.331 9.093 -10.364 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.585 9.845 -10.874 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.998 11.395 -11.444 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.161 8.953 -12.967 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.178 11.845 -12.501 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.537 11.807 -14.147 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.329 8.916 -15.072 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.186 10.157 -15.594 1.00 0.00 H new ATOM 329 N ARG A 21 -0.413 10.999 -10.362 1.00 0.00 N ATOM 330 CA ARG A 21 0.688 10.249 -10.964 1.00 0.00 C ATOM 331 C ARG A 21 0.222 8.863 -11.424 1.00 0.00 C ATOM 332 O ARG A 21 -0.301 8.083 -10.629 1.00 0.00 O ATOM 333 CB ARG A 21 1.842 10.109 -9.966 1.00 0.00 C ATOM 334 CG ARG A 21 3.183 10.570 -10.518 1.00 0.00 C ATOM 335 CD ARG A 21 3.639 11.869 -9.871 1.00 0.00 C ATOM 336 NE ARG A 21 5.042 12.161 -10.158 1.00 0.00 N ATOM 337 CZ ARG A 21 5.468 12.723 -11.288 1.00 0.00 C ATOM 338 NH1 ARG A 21 4.605 13.052 -12.242 1.00 0.00 N ATOM 339 NH2 ARG A 21 6.761 12.954 -11.465 1.00 0.00 N ATOM 0 H ARG A 21 -0.641 11.870 -10.841 1.00 0.00 H new ATOM 0 HA ARG A 21 1.036 10.801 -11.837 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.609 10.686 -9.071 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.923 9.066 -9.661 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.932 9.796 -10.349 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.105 10.708 -11.596 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.017 12.690 -10.229 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.495 11.807 -8.792 1.00 0.00 H new ATOM 0 HE ARG A 21 5.736 11.920 -9.451 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.609 12.875 -12.112 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.938 13.482 -13.105 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.429 12.701 -10.736 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.088 13.384 -12.330 1.00 0.00 H new ATOM 353 N PRO A 22 0.408 8.534 -12.718 1.00 0.00 N ATOM 354 CA PRO A 22 0.001 7.234 -13.264 1.00 0.00 C ATOM 355 C PRO A 22 0.630 6.068 -12.508 1.00 0.00 C ATOM 356 O PRO A 22 -0.071 5.191 -12.005 1.00 0.00 O ATOM 357 CB PRO A 22 0.514 7.271 -14.708 1.00 0.00 C ATOM 358 CG PRO A 22 0.649 8.718 -15.031 1.00 0.00 C ATOM 359 CD PRO A 22 1.025 9.395 -13.743 1.00 0.00 C ATOM 0 HA PRO A 22 -1.075 7.081 -13.186 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.470 6.755 -14.801 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.182 6.778 -15.387 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.411 8.878 -15.793 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -0.285 9.119 -15.425 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.106 9.455 -13.620 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.642 10.414 -13.697 1.00 0.00 H new ATOM 367 N ASN A 23 1.957 6.070 -12.431 1.00 0.00 N ATOM 368 CA ASN A 23 2.692 5.019 -11.733 1.00 0.00 C ATOM 369 C ASN A 23 2.422 5.072 -10.228 1.00 0.00 C ATOM 370 O ASN A 23 3.311 5.404 -9.444 1.00 0.00 O ATOM 371 CB ASN A 23 4.187 5.162 -11.999 1.00 0.00 C ATOM 372 CG ASN A 23 4.670 6.575 -11.803 1.00 0.00 C ATOM 373 OD1 ASN A 23 4.258 7.493 -12.510 1.00 0.00 O ATOM 374 ND2 ASN A 23 5.553 6.754 -10.838 1.00 0.00 N ATOM 0 H ASN A 23 2.548 6.791 -12.845 1.00 0.00 H new ATOM 0 HA ASN A 23 2.351 4.055 -12.110 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.737 4.497 -11.334 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.404 4.844 -13.019 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.924 7.686 -10.652 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.864 5.960 -10.278 1.00 0.00 H new ATOM 381 N ILE A 24 1.188 4.758 -9.827 1.00 0.00 N ATOM 382 CA ILE A 24 0.815 4.794 -8.411 1.00 0.00 C ATOM 383 C ILE A 24 0.003 3.564 -7.987 1.00 0.00 C ATOM 384 O ILE A 24 -0.892 3.115 -8.702 1.00 0.00 O ATOM 385 CB ILE A 24 0.018 6.082 -8.084 1.00 0.00 C ATOM 386 CG1 ILE A 24 0.957 7.157 -7.527 1.00 0.00 C ATOM 387 CG2 ILE A 24 -1.117 5.805 -7.103 1.00 0.00 C ATOM 388 CD1 ILE A 24 1.301 6.972 -6.064 1.00 0.00 C ATOM 0 H ILE A 24 0.436 4.478 -10.457 1.00 0.00 H new ATOM 0 HA ILE A 24 1.747 4.789 -7.845 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.428 6.444 -9.010 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.878 7.158 -8.110 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.494 8.135 -7.661 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.654 6.731 -6.897 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.803 5.077 -7.536 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.707 5.409 -6.174 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.969 7.771 -5.743 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.388 7.001 -5.469 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.794 6.010 -5.925 1.00 0.00 H new ATOM 400 N ALA A 25 0.318 3.055 -6.798 1.00 0.00 N ATOM 401 CA ALA A 25 -0.378 1.904 -6.225 1.00 0.00 C ATOM 402 C ALA A 25 -0.207 1.886 -4.708 1.00 0.00 C ATOM 403 O ALA A 25 0.827 2.291 -4.192 1.00 0.00 O ATOM 404 CB ALA A 25 0.124 0.604 -6.831 1.00 0.00 C ATOM 0 H ALA A 25 1.060 3.427 -6.206 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.438 1.996 -6.459 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.411 -0.235 -6.386 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.047 0.614 -7.907 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.191 0.499 -6.634 1.00 0.00 H new ATOM 410 N ILE A 26 -1.230 1.438 -3.995 1.00 0.00 N ATOM 411 CA ILE A 26 -1.180 1.399 -2.536 1.00 0.00 C ATOM 412 C ILE A 26 -0.980 -0.017 -1.987 1.00 0.00 C ATOM 413 O ILE A 26 -1.669 -0.957 -2.385 1.00 0.00 O ATOM 414 CB ILE A 26 -2.466 1.985 -1.939 1.00 0.00 C ATOM 415 CG1 ILE A 26 -2.779 3.338 -2.583 1.00 0.00 C ATOM 416 CG2 ILE A 26 -2.356 2.112 -0.427 1.00 0.00 C ATOM 417 CD1 ILE A 26 -3.997 4.023 -2.006 1.00 0.00 C ATOM 0 H ILE A 26 -2.103 1.097 -4.398 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.318 1.998 -2.244 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.289 1.303 -2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.916 3.993 -2.466 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.928 3.194 -3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.281 2.530 -0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.185 1.128 0.009 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.523 2.769 -0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.154 4.975 -2.513 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.872 3.389 -2.147 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.845 4.200 -0.941 1.00 0.00 H new ATOM 429 N ILE A 27 -0.045 -0.146 -1.041 1.00 0.00 N ATOM 430 CA ILE A 27 0.239 -1.421 -0.396 1.00 0.00 C ATOM 431 C ILE A 27 -0.545 -1.541 0.910 1.00 0.00 C ATOM 432 O ILE A 27 -0.589 -0.604 1.706 1.00 0.00 O ATOM 433 CB ILE A 27 1.745 -1.591 -0.105 1.00 0.00 C ATOM 434 CG1 ILE A 27 2.545 -1.542 -1.405 1.00 0.00 C ATOM 435 CG2 ILE A 27 2.006 -2.898 0.632 1.00 0.00 C ATOM 436 CD1 ILE A 27 4.042 -1.606 -1.198 1.00 0.00 C ATOM 0 H ILE A 27 0.530 0.627 -0.706 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.068 -2.208 -1.085 1.00 0.00 H new ATOM 0 HB ILE A 27 2.067 -0.769 0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.239 -2.372 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.299 -0.624 -1.939 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.074 -2.999 0.828 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.462 -2.898 1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.669 -3.734 0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.545 -1.566 -2.164 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.361 -0.761 -0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.300 -2.537 -0.693 1.00 0.00 H new ATOM 448 N ASP A 28 -1.163 -2.698 1.122 1.00 0.00 N ATOM 449 CA ASP A 28 -1.947 -2.931 2.330 1.00 0.00 C ATOM 450 C ASP A 28 -1.590 -4.270 2.971 1.00 0.00 C ATOM 451 O ASP A 28 -0.996 -5.136 2.334 1.00 0.00 O ATOM 452 CB ASP A 28 -3.442 -2.891 2.007 1.00 0.00 C ATOM 453 CG ASP A 28 -3.821 -1.666 1.198 1.00 0.00 C ATOM 454 OD1 ASP A 28 -3.112 -0.643 1.303 1.00 0.00 O ATOM 455 OD2 ASP A 28 -4.825 -1.729 0.458 1.00 0.00 O ATOM 0 H ASP A 28 -1.137 -3.487 0.476 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.711 -2.139 3.040 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.716 -3.789 1.453 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.013 -2.902 2.935 1.00 0.00 H new ATOM 460 N VAL A 29 -1.960 -4.427 4.238 1.00 0.00 N ATOM 461 CA VAL A 29 -1.687 -5.654 4.977 1.00 0.00 C ATOM 462 C VAL A 29 -2.854 -6.011 5.893 1.00 0.00 C ATOM 463 O VAL A 29 -3.436 -5.136 6.534 1.00 0.00 O ATOM 464 CB VAL A 29 -0.407 -5.529 5.826 1.00 0.00 C ATOM 465 CG1 VAL A 29 0.813 -5.351 4.933 1.00 0.00 C ATOM 466 CG2 VAL A 29 -0.528 -4.376 6.812 1.00 0.00 C ATOM 0 H VAL A 29 -2.453 -3.715 4.777 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.548 -6.443 4.238 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.281 -6.450 6.395 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.707 -5.265 5.551 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.910 -6.213 4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.697 -4.447 4.334 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.386 -4.304 7.402 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.681 -3.445 6.266 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.375 -4.552 7.475 1.00 0.00 H new ATOM 476 N ARG A 30 -3.196 -7.297 5.957 1.00 0.00 N ATOM 477 CA ARG A 30 -4.301 -7.739 6.806 1.00 0.00 C ATOM 478 C ARG A 30 -4.339 -9.261 6.937 1.00 0.00 C ATOM 479 O ARG A 30 -4.575 -9.786 8.026 1.00 0.00 O ATOM 480 CB ARG A 30 -5.633 -7.222 6.259 1.00 0.00 C ATOM 481 CG ARG A 30 -6.090 -5.926 6.911 1.00 0.00 C ATOM 482 CD ARG A 30 -6.143 -4.785 5.908 1.00 0.00 C ATOM 483 NE ARG A 30 -7.479 -4.621 5.341 1.00 0.00 N ATOM 484 CZ ARG A 30 -8.522 -4.155 6.023 1.00 0.00 C ATOM 485 NH1 ARG A 30 -8.387 -3.798 7.294 1.00 0.00 N ATOM 486 NH2 ARG A 30 -9.702 -4.042 5.432 1.00 0.00 N ATOM 0 H ARG A 30 -2.731 -8.042 5.439 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.138 -7.324 7.801 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.540 -7.067 5.184 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.398 -7.984 6.406 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.076 -6.068 7.354 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.410 -5.667 7.723 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.839 -3.859 6.395 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.429 -4.973 5.106 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.621 -4.879 4.364 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.480 -3.880 7.753 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.190 -3.441 7.812 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.811 -4.312 4.454 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.502 -3.685 5.954 1.00 0.00 H new ATOM 500 N ASP A 31 -4.100 -9.964 5.829 1.00 0.00 N ATOM 501 CA ASP A 31 -4.096 -11.430 5.816 1.00 0.00 C ATOM 502 C ASP A 31 -5.503 -12.006 5.613 1.00 0.00 C ATOM 503 O ASP A 31 -6.365 -11.363 5.018 1.00 0.00 O ATOM 504 CB ASP A 31 -3.469 -11.979 7.105 1.00 0.00 C ATOM 505 CG ASP A 31 -2.547 -13.155 6.845 1.00 0.00 C ATOM 506 OD1 ASP A 31 -2.699 -13.805 5.790 1.00 0.00 O ATOM 507 OD2 ASP A 31 -1.674 -13.425 7.696 1.00 0.00 O ATOM 0 H ASP A 31 -3.905 -9.539 4.922 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.490 -11.746 4.967 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.910 -11.185 7.600 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.261 -12.286 7.789 1.00 0.00 H new ATOM 512 N GLU A 32 -5.706 -13.236 6.092 1.00 0.00 N ATOM 513 CA GLU A 32 -6.981 -13.953 5.968 1.00 0.00 C ATOM 514 C GLU A 32 -8.206 -13.032 6.013 1.00 0.00 C ATOM 515 O GLU A 32 -9.135 -13.192 5.223 1.00 0.00 O ATOM 516 CB GLU A 32 -7.083 -14.999 7.084 1.00 0.00 C ATOM 517 CG GLU A 32 -8.434 -15.694 7.163 1.00 0.00 C ATOM 518 CD GLU A 32 -9.419 -14.960 8.052 1.00 0.00 C ATOM 519 OE1 GLU A 32 -8.980 -14.092 8.836 1.00 0.00 O ATOM 520 OE2 GLU A 32 -10.630 -15.253 7.964 1.00 0.00 O ATOM 0 H GLU A 32 -4.986 -13.768 6.581 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.985 -14.427 4.987 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.308 -15.751 6.934 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.879 -14.516 8.040 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.852 -15.782 6.160 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.295 -16.707 7.541 1.00 0.00 H new ATOM 527 N GLU A 33 -8.217 -12.093 6.949 1.00 0.00 N ATOM 528 CA GLU A 33 -9.353 -11.183 7.098 1.00 0.00 C ATOM 529 C GLU A 33 -9.631 -10.400 5.816 1.00 0.00 C ATOM 530 O GLU A 33 -10.760 -9.975 5.571 1.00 0.00 O ATOM 531 CB GLU A 33 -9.110 -10.217 8.258 1.00 0.00 C ATOM 532 CG GLU A 33 -7.982 -9.229 8.007 1.00 0.00 C ATOM 533 CD GLU A 33 -8.220 -7.892 8.683 1.00 0.00 C ATOM 534 OE1 GLU A 33 -8.932 -7.050 8.096 1.00 0.00 O ATOM 535 OE2 GLU A 33 -7.697 -7.688 9.799 1.00 0.00 O ATOM 0 H GLU A 33 -7.459 -11.939 7.614 1.00 0.00 H new ATOM 0 HA GLU A 33 -10.232 -11.792 7.311 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.028 -9.664 8.456 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.884 -10.792 9.156 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.045 -9.653 8.368 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.870 -9.075 6.934 1.00 0.00 H new ATOM 542 N ARG A 34 -8.596 -10.197 5.014 1.00 0.00 N ATOM 543 CA ARG A 34 -8.723 -9.451 3.771 1.00 0.00 C ATOM 544 C ARG A 34 -9.190 -10.330 2.616 1.00 0.00 C ATOM 545 O ARG A 34 -10.084 -9.954 1.859 1.00 0.00 O ATOM 546 CB ARG A 34 -7.381 -8.814 3.411 1.00 0.00 C ATOM 547 CG ARG A 34 -7.513 -7.527 2.617 1.00 0.00 C ATOM 548 CD ARG A 34 -7.915 -7.801 1.177 1.00 0.00 C ATOM 549 NE ARG A 34 -7.232 -6.938 0.203 1.00 0.00 N ATOM 550 CZ ARG A 34 -7.032 -5.619 0.337 1.00 0.00 C ATOM 551 NH1 ARG A 34 -7.361 -4.971 1.449 1.00 0.00 N ATOM 552 NH2 ARG A 34 -6.481 -4.939 -0.659 1.00 0.00 N ATOM 0 H ARG A 34 -7.654 -10.540 5.203 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.478 -8.681 3.930 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.827 -8.610 4.328 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.792 -9.528 2.835 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.256 -6.883 3.087 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.566 -6.988 2.635 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.700 -8.843 0.940 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.992 -7.667 1.077 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.880 -7.380 -0.647 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.778 -5.478 2.230 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.197 -3.967 1.522 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.213 -5.420 -1.518 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.325 -3.935 -0.566 1.00 0.00 H new ATOM 566 N ASN A 35 -8.546 -11.479 2.457 1.00 0.00 N ATOM 567 CA ASN A 35 -8.862 -12.385 1.358 1.00 0.00 C ATOM 568 C ASN A 35 -10.037 -13.319 1.651 1.00 0.00 C ATOM 569 O ASN A 35 -10.805 -13.651 0.749 1.00 0.00 O ATOM 570 CB ASN A 35 -7.629 -13.222 0.999 1.00 0.00 C ATOM 571 CG ASN A 35 -6.349 -12.408 1.001 1.00 0.00 C ATOM 572 OD1 ASN A 35 -6.075 -11.657 0.065 1.00 0.00 O ATOM 573 ND2 ASN A 35 -5.556 -12.555 2.057 1.00 0.00 N ATOM 0 H ASN A 35 -7.802 -11.806 3.074 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.160 -11.754 0.521 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.533 -14.044 1.709 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.771 -13.666 0.014 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.681 -12.034 2.114 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.822 -13.189 2.811 1.00 0.00 H new ATOM 580 N TYR A 36 -10.153 -13.781 2.890 1.00 0.00 N ATOM 581 CA TYR A 36 -11.215 -14.723 3.245 1.00 0.00 C ATOM 582 C TYR A 36 -12.545 -14.047 3.580 1.00 0.00 C ATOM 583 O TYR A 36 -13.598 -14.497 3.129 1.00 0.00 O ATOM 584 CB TYR A 36 -10.772 -15.601 4.416 1.00 0.00 C ATOM 585 CG TYR A 36 -9.652 -16.556 4.064 1.00 0.00 C ATOM 586 CD1 TYR A 36 -8.409 -16.081 3.660 1.00 0.00 C ATOM 587 CD2 TYR A 36 -9.835 -17.930 4.137 1.00 0.00 C ATOM 588 CE1 TYR A 36 -7.383 -16.948 3.341 1.00 0.00 C ATOM 589 CE2 TYR A 36 -8.813 -18.805 3.819 1.00 0.00 C ATOM 590 CZ TYR A 36 -7.590 -18.310 3.421 1.00 0.00 C ATOM 591 OH TYR A 36 -6.569 -19.176 3.103 1.00 0.00 O ATOM 0 H TYR A 36 -9.535 -13.525 3.660 1.00 0.00 H new ATOM 0 HA TYR A 36 -11.389 -15.334 2.359 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -10.449 -14.962 5.237 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -11.628 -16.173 4.775 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.243 -15.016 3.595 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -10.792 -18.322 4.448 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -6.423 -16.562 3.030 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -8.972 -19.871 3.882 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.878 -20.100 3.212 1.00 0.00 H new ATOM 601 N ASP A 37 -12.509 -12.991 4.382 1.00 0.00 N ATOM 602 CA ASP A 37 -13.738 -12.305 4.774 1.00 0.00 C ATOM 603 C ASP A 37 -13.746 -10.851 4.320 1.00 0.00 C ATOM 604 O ASP A 37 -14.091 -9.953 5.088 1.00 0.00 O ATOM 605 CB ASP A 37 -13.934 -12.382 6.292 1.00 0.00 C ATOM 606 CG ASP A 37 -12.629 -12.278 7.056 1.00 0.00 C ATOM 607 OD1 ASP A 37 -11.872 -13.271 7.075 1.00 0.00 O ATOM 608 OD2 ASP A 37 -12.363 -11.203 7.634 1.00 0.00 O ATOM 0 H ASP A 37 -11.654 -12.593 4.771 1.00 0.00 H new ATOM 0 HA ASP A 37 -14.565 -12.813 4.278 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -14.601 -11.580 6.609 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.424 -13.323 6.544 1.00 0.00 H new ATOM 613 N GLY A 38 -13.374 -10.626 3.066 1.00 0.00 N ATOM 614 CA GLY A 38 -13.360 -9.273 2.540 1.00 0.00 C ATOM 615 C GLY A 38 -12.971 -9.206 1.076 1.00 0.00 C ATOM 616 O GLY A 38 -12.197 -10.034 0.594 1.00 0.00 O ATOM 0 H GLY A 38 -13.084 -11.349 2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -14.348 -8.830 2.668 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.663 -8.671 3.123 1.00 0.00 H new ATOM 620 N HIS A 39 -13.493 -8.204 0.371 1.00 0.00 N ATOM 621 CA HIS A 39 -13.172 -8.020 -1.041 1.00 0.00 C ATOM 622 C HIS A 39 -12.495 -6.671 -1.261 1.00 0.00 C ATOM 623 O HIS A 39 -12.342 -6.239 -2.402 1.00 0.00 O ATOM 624 CB HIS A 39 -14.420 -8.102 -1.933 1.00 0.00 C ATOM 625 CG HIS A 39 -15.089 -9.444 -1.954 1.00 0.00 C ATOM 626 ND1 HIS A 39 -16.193 -9.677 -2.744 1.00 0.00 N ATOM 627 CD2 HIS A 39 -14.778 -10.580 -1.282 1.00 0.00 C ATOM 628 CE1 HIS A 39 -16.525 -10.938 -2.536 1.00 0.00 C ATOM 629 NE2 HIS A 39 -15.698 -11.527 -1.659 1.00 0.00 N ATOM 0 H HIS A 39 -14.137 -7.511 0.753 1.00 0.00 H new ATOM 0 HA HIS A 39 -12.497 -8.829 -1.319 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -15.141 -7.357 -1.595 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -14.140 -7.835 -2.952 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -13.964 -10.714 -0.585 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -17.358 -11.433 -3.012 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -15.744 -12.493 -1.335 1.00 0.00 H new ATOM 637 N ILE A 40 -12.093 -6.008 -0.167 1.00 0.00 N ATOM 638 CA ILE A 40 -11.430 -4.704 -0.254 1.00 0.00 C ATOM 639 C ILE A 40 -10.388 -4.725 -1.369 1.00 0.00 C ATOM 640 O ILE A 40 -9.235 -5.108 -1.175 1.00 0.00 O ATOM 641 CB ILE A 40 -10.788 -4.291 1.090 1.00 0.00 C ATOM 642 CG1 ILE A 40 -9.785 -3.145 0.899 1.00 0.00 C ATOM 643 CG2 ILE A 40 -10.118 -5.484 1.746 1.00 0.00 C ATOM 644 CD1 ILE A 40 -10.357 -1.952 0.166 1.00 0.00 C ATOM 0 H ILE A 40 -12.216 -6.354 0.785 1.00 0.00 H new ATOM 0 HA ILE A 40 -12.188 -3.957 -0.487 1.00 0.00 H new ATOM 0 HB ILE A 40 -11.582 -3.933 1.746 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -9.426 -2.822 1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -8.921 -3.518 0.349 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -9.671 -5.176 2.691 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -10.859 -6.261 1.931 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.342 -5.873 1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -9.591 -1.183 0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -10.690 -2.260 -0.825 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -11.203 -1.552 0.726 1.00 0.00 H new ATOM 656 N ALA A 41 -10.857 -4.356 -2.545 1.00 0.00 N ATOM 657 CA ALA A 41 -10.093 -4.350 -3.747 1.00 0.00 C ATOM 658 C ALA A 41 -9.527 -2.969 -4.072 1.00 0.00 C ATOM 659 O ALA A 41 -10.227 -1.969 -3.994 1.00 0.00 O ATOM 660 CB ALA A 41 -11.041 -4.809 -4.821 1.00 0.00 C ATOM 0 H ALA A 41 -11.818 -4.043 -2.679 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.223 -5.000 -3.657 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.522 -4.830 -5.779 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.404 -5.809 -4.583 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.885 -4.121 -4.880 1.00 0.00 H new ATOM 666 N GLY A 42 -8.266 -2.939 -4.482 1.00 0.00 N ATOM 667 CA GLY A 42 -7.624 -1.688 -4.841 1.00 0.00 C ATOM 668 C GLY A 42 -6.359 -1.898 -5.661 1.00 0.00 C ATOM 669 O GLY A 42 -6.436 -2.206 -6.849 1.00 0.00 O ATOM 0 H GLY A 42 -7.673 -3.764 -4.573 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.323 -1.074 -5.408 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.378 -1.136 -3.934 1.00 0.00 H new ATOM 673 N SER A 43 -5.191 -1.725 -5.037 1.00 0.00 N ATOM 674 CA SER A 43 -3.924 -1.897 -5.743 1.00 0.00 C ATOM 675 C SER A 43 -3.241 -3.218 -5.372 1.00 0.00 C ATOM 676 O SER A 43 -3.534 -4.256 -5.965 1.00 0.00 O ATOM 677 CB SER A 43 -2.996 -0.715 -5.460 1.00 0.00 C ATOM 678 OG SER A 43 -3.282 -0.132 -4.200 1.00 0.00 O ATOM 0 H SER A 43 -5.099 -1.469 -4.054 1.00 0.00 H new ATOM 0 HA SER A 43 -4.141 -1.931 -6.811 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.959 -1.049 -5.482 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.106 0.034 -6.244 1.00 0.00 H new ATOM 0 HG SER A 43 -2.902 -0.688 -3.488 1.00 0.00 H new ATOM 684 N LEU A 44 -2.319 -3.185 -4.401 1.00 0.00 N ATOM 685 CA LEU A 44 -1.608 -4.397 -3.995 1.00 0.00 C ATOM 686 C LEU A 44 -1.698 -4.629 -2.490 1.00 0.00 C ATOM 687 O LEU A 44 -1.186 -3.841 -1.699 1.00 0.00 O ATOM 688 CB LEU A 44 -0.140 -4.320 -4.421 1.00 0.00 C ATOM 689 CG LEU A 44 0.093 -4.139 -5.922 1.00 0.00 C ATOM 690 CD1 LEU A 44 -0.706 -5.161 -6.715 1.00 0.00 C ATOM 691 CD2 LEU A 44 -0.269 -2.724 -6.349 1.00 0.00 C ATOM 0 H LEU A 44 -2.053 -2.343 -3.890 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.088 -5.239 -4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.332 -3.491 -3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.364 -5.231 -4.098 1.00 0.00 H new ATOM 0 HG LEU A 44 1.151 -4.300 -6.129 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.527 -5.016 -7.780 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.397 -6.166 -6.429 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.768 -5.035 -6.505 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.097 -2.612 -7.420 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.319 -2.535 -6.128 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.350 -2.010 -5.806 1.00 0.00 H new ATOM 703 N HIS A 45 -2.349 -5.722 -2.103 1.00 0.00 N ATOM 704 CA HIS A 45 -2.499 -6.064 -0.693 1.00 0.00 C ATOM 705 C HIS A 45 -1.958 -7.459 -0.386 1.00 0.00 C ATOM 706 O HIS A 45 -2.048 -8.371 -1.209 1.00 0.00 O ATOM 707 CB HIS A 45 -3.962 -5.989 -0.258 1.00 0.00 C ATOM 708 CG HIS A 45 -4.227 -6.769 0.992 1.00 0.00 C ATOM 709 ND1 HIS A 45 -4.551 -8.107 0.983 1.00 0.00 N ATOM 710 CD2 HIS A 45 -4.146 -6.412 2.295 1.00 0.00 C ATOM 711 CE1 HIS A 45 -4.654 -8.541 2.224 1.00 0.00 C ATOM 712 NE2 HIS A 45 -4.412 -7.534 3.042 1.00 0.00 N ATOM 0 H HIS A 45 -2.781 -6.386 -2.746 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.917 -5.332 -0.134 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.237 -4.947 -0.098 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.596 -6.367 -1.060 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -4.690 -8.674 0.147 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.915 -5.428 2.677 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.896 -9.551 2.521 1.00 0.00 H new ATOM 721 N TYR A 46 -1.428 -7.618 0.823 1.00 0.00 N ATOM 722 CA TYR A 46 -0.906 -8.901 1.273 1.00 0.00 C ATOM 723 C TYR A 46 -0.952 -8.989 2.804 1.00 0.00 C ATOM 724 O TYR A 46 -1.789 -8.349 3.438 1.00 0.00 O ATOM 725 CB TYR A 46 0.511 -9.131 0.732 1.00 0.00 C ATOM 726 CG TYR A 46 1.610 -8.416 1.489 1.00 0.00 C ATOM 727 CD1 TYR A 46 1.442 -7.116 1.953 1.00 0.00 C ATOM 728 CD2 TYR A 46 2.825 -9.045 1.725 1.00 0.00 C ATOM 729 CE1 TYR A 46 2.457 -6.468 2.632 1.00 0.00 C ATOM 730 CE2 TYR A 46 3.841 -8.405 2.405 1.00 0.00 C ATOM 731 CZ TYR A 46 3.653 -7.116 2.855 1.00 0.00 C ATOM 732 OH TYR A 46 4.663 -6.472 3.532 1.00 0.00 O ATOM 0 H TYR A 46 -1.349 -6.869 1.511 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.538 -9.696 0.876 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.719 -10.201 0.744 1.00 0.00 H new ATOM 0 HB3 TYR A 46 0.542 -8.812 -0.310 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.506 -6.606 1.781 1.00 0.00 H new ATOM 0 HD2 TYR A 46 2.978 -10.053 1.370 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.313 -5.458 2.986 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.778 -8.911 2.584 1.00 0.00 H new ATOM 0 HH TYR A 46 4.301 -5.681 3.984 1.00 0.00 H new ATOM 742 N ALA A 47 -0.072 -9.792 3.392 1.00 0.00 N ATOM 743 CA ALA A 47 -0.044 -9.956 4.840 1.00 0.00 C ATOM 744 C ALA A 47 1.251 -10.611 5.298 1.00 0.00 C ATOM 745 O ALA A 47 2.189 -10.767 4.517 1.00 0.00 O ATOM 746 CB ALA A 47 -1.237 -10.782 5.286 1.00 0.00 C ATOM 0 H ALA A 47 0.629 -10.337 2.890 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.097 -8.968 5.297 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.212 -10.902 6.369 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.158 -10.275 4.998 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.199 -11.762 4.811 1.00 0.00 H new ATOM 752 N SER A 48 1.295 -11.004 6.569 1.00 0.00 N ATOM 753 CA SER A 48 2.478 -11.653 7.119 1.00 0.00 C ATOM 754 C SER A 48 2.357 -13.169 7.036 1.00 0.00 C ATOM 755 O SER A 48 3.139 -13.903 7.641 1.00 0.00 O ATOM 756 CB SER A 48 2.713 -11.216 8.565 1.00 0.00 C ATOM 757 OG SER A 48 2.637 -9.807 8.691 1.00 0.00 O ATOM 0 H SER A 48 0.529 -10.885 7.232 1.00 0.00 H new ATOM 0 HA SER A 48 3.336 -11.346 6.521 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.972 -11.683 9.214 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.692 -11.562 8.898 1.00 0.00 H new ATOM 0 HG SER A 48 2.789 -9.553 9.625 1.00 0.00 H new ATOM 763 N GLY A 49 1.395 -13.623 6.252 1.00 0.00 N ATOM 764 CA GLY A 49 1.199 -15.045 6.054 1.00 0.00 C ATOM 765 C GLY A 49 1.963 -15.523 4.839 1.00 0.00 C ATOM 766 O GLY A 49 2.269 -16.707 4.703 1.00 0.00 O ATOM 0 H GLY A 49 0.740 -13.028 5.744 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.532 -15.590 6.937 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.137 -15.258 5.930 1.00 0.00 H new ATOM 770 N SER A 50 2.279 -14.575 3.961 1.00 0.00 N ATOM 771 CA SER A 50 3.023 -14.850 2.746 1.00 0.00 C ATOM 772 C SER A 50 3.867 -13.636 2.373 1.00 0.00 C ATOM 773 O SER A 50 4.089 -13.357 1.195 1.00 0.00 O ATOM 774 CB SER A 50 2.071 -15.201 1.602 1.00 0.00 C ATOM 775 OG SER A 50 1.938 -16.604 1.460 1.00 0.00 O ATOM 0 H SER A 50 2.024 -13.594 4.077 1.00 0.00 H new ATOM 0 HA SER A 50 3.679 -15.703 2.921 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.093 -14.757 1.790 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.442 -14.772 0.671 1.00 0.00 H new ATOM 0 HG SER A 50 1.323 -16.801 0.723 1.00 0.00 H new ATOM 781 N PHE A 51 4.347 -12.919 3.390 1.00 0.00 N ATOM 782 CA PHE A 51 5.175 -11.743 3.177 1.00 0.00 C ATOM 783 C PHE A 51 6.400 -12.116 2.364 1.00 0.00 C ATOM 784 O PHE A 51 7.003 -11.274 1.701 1.00 0.00 O ATOM 785 CB PHE A 51 5.605 -11.154 4.521 1.00 0.00 C ATOM 786 CG PHE A 51 6.416 -12.104 5.359 1.00 0.00 C ATOM 787 CD1 PHE A 51 7.720 -12.417 5.008 1.00 0.00 C ATOM 788 CD2 PHE A 51 5.875 -12.686 6.493 1.00 0.00 C ATOM 789 CE1 PHE A 51 8.468 -13.292 5.773 1.00 0.00 C ATOM 790 CE2 PHE A 51 6.619 -13.562 7.262 1.00 0.00 C ATOM 791 CZ PHE A 51 7.917 -13.865 6.902 1.00 0.00 C ATOM 0 H PHE A 51 4.173 -13.138 4.371 1.00 0.00 H new ATOM 0 HA PHE A 51 4.597 -10.997 2.632 1.00 0.00 H new ATOM 0 HB2 PHE A 51 6.188 -10.250 4.343 1.00 0.00 H new ATOM 0 HB3 PHE A 51 4.717 -10.856 5.079 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.157 -11.972 4.126 1.00 0.00 H new ATOM 0 HD2 PHE A 51 4.860 -12.453 6.780 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.483 -13.527 5.488 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.185 -14.009 8.144 1.00 0.00 H new ATOM 0 HZ PHE A 51 8.500 -14.548 7.502 1.00 0.00 H new ATOM 801 N ASP A 52 6.762 -13.394 2.426 1.00 0.00 N ATOM 802 CA ASP A 52 7.914 -13.889 1.704 1.00 0.00 C ATOM 803 C ASP A 52 7.501 -14.499 0.369 1.00 0.00 C ATOM 804 O ASP A 52 8.120 -15.451 -0.107 1.00 0.00 O ATOM 805 CB ASP A 52 8.665 -14.925 2.545 1.00 0.00 C ATOM 806 CG ASP A 52 10.150 -14.957 2.235 1.00 0.00 C ATOM 807 OD1 ASP A 52 10.506 -15.030 1.040 1.00 0.00 O ATOM 808 OD2 ASP A 52 10.956 -14.909 3.189 1.00 0.00 O ATOM 0 H ASP A 52 6.269 -14.101 2.971 1.00 0.00 H new ATOM 0 HA ASP A 52 8.576 -13.046 1.506 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.522 -14.703 3.602 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.238 -15.912 2.366 1.00 0.00 H new ATOM 813 N ASP A 53 6.450 -13.948 -0.232 1.00 0.00 N ATOM 814 CA ASP A 53 5.958 -14.449 -1.508 1.00 0.00 C ATOM 815 C ASP A 53 5.838 -13.338 -2.551 1.00 0.00 C ATOM 816 O ASP A 53 5.574 -13.616 -3.721 1.00 0.00 O ATOM 817 CB ASP A 53 4.603 -15.136 -1.327 1.00 0.00 C ATOM 818 CG ASP A 53 4.743 -16.571 -0.860 1.00 0.00 C ATOM 819 OD1 ASP A 53 5.654 -16.847 -0.050 1.00 0.00 O ATOM 820 OD2 ASP A 53 3.942 -17.421 -1.304 1.00 0.00 O ATOM 0 H ASP A 53 5.926 -13.158 0.144 1.00 0.00 H new ATOM 0 HA ASP A 53 6.687 -15.173 -1.871 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.009 -14.577 -0.604 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.059 -15.115 -2.271 1.00 0.00 H new ATOM 825 N LYS A 54 6.035 -12.082 -2.144 1.00 0.00 N ATOM 826 CA LYS A 54 5.941 -10.972 -3.094 1.00 0.00 C ATOM 827 C LYS A 54 7.119 -10.018 -2.948 1.00 0.00 C ATOM 828 O LYS A 54 7.077 -8.878 -3.410 1.00 0.00 O ATOM 829 CB LYS A 54 4.622 -10.218 -2.907 1.00 0.00 C ATOM 830 CG LYS A 54 3.391 -11.093 -3.078 1.00 0.00 C ATOM 831 CD LYS A 54 3.294 -11.656 -4.490 1.00 0.00 C ATOM 832 CE LYS A 54 2.246 -10.924 -5.312 1.00 0.00 C ATOM 833 NZ LYS A 54 1.699 -11.778 -6.403 1.00 0.00 N ATOM 0 H LYS A 54 6.256 -11.812 -1.186 1.00 0.00 H new ATOM 0 HA LYS A 54 5.969 -11.391 -4.100 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.606 -9.773 -1.912 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.577 -9.398 -3.624 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.424 -11.913 -2.360 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.497 -10.511 -2.856 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.264 -11.577 -4.982 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.046 -12.716 -4.444 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.433 -10.603 -4.661 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.685 -10.024 -5.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.293 -11.174 -7.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.463 -12.357 -6.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.959 -12.400 -6.019 1.00 0.00 H new ATOM 847 N ILE A 55 8.167 -10.500 -2.297 1.00 0.00 N ATOM 848 CA ILE A 55 9.361 -9.706 -2.076 1.00 0.00 C ATOM 849 C ILE A 55 10.238 -9.699 -3.319 1.00 0.00 C ATOM 850 O ILE A 55 10.577 -8.655 -3.871 1.00 0.00 O ATOM 851 CB ILE A 55 10.175 -10.253 -0.887 1.00 0.00 C ATOM 852 CG1 ILE A 55 9.244 -10.880 0.157 1.00 0.00 C ATOM 853 CG2 ILE A 55 10.998 -9.144 -0.262 1.00 0.00 C ATOM 854 CD1 ILE A 55 9.781 -10.807 1.567 1.00 0.00 C ATOM 0 H ILE A 55 8.212 -11.443 -1.911 1.00 0.00 H new ATOM 0 HA ILE A 55 9.042 -8.688 -1.852 1.00 0.00 H new ATOM 0 HB ILE A 55 10.851 -11.026 -1.254 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.278 -10.377 0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.071 -11.924 -0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.569 -9.543 0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.683 -8.736 -1.005 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.335 -8.355 0.093 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.070 -11.270 2.252 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.733 -11.335 1.621 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.928 -9.764 1.847 1.00 0.00 H new ATOM 866 N SER A 56 10.578 -10.889 -3.759 1.00 0.00 N ATOM 867 CA SER A 56 11.395 -11.054 -4.950 1.00 0.00 C ATOM 868 C SER A 56 10.570 -10.766 -6.190 1.00 0.00 C ATOM 869 O SER A 56 11.093 -10.664 -7.295 1.00 0.00 O ATOM 870 CB SER A 56 12.002 -12.459 -5.011 1.00 0.00 C ATOM 871 OG SER A 56 12.022 -12.960 -6.338 1.00 0.00 O ATOM 0 H SER A 56 10.302 -11.763 -3.311 1.00 0.00 H new ATOM 0 HA SER A 56 12.219 -10.341 -4.906 1.00 0.00 H new ATOM 0 HB2 SER A 56 13.017 -12.435 -4.615 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.427 -13.133 -4.375 1.00 0.00 H new ATOM 0 HG SER A 56 12.416 -13.857 -6.343 1.00 0.00 H new ATOM 877 N HIS A 57 9.280 -10.618 -5.973 1.00 0.00 N ATOM 878 CA HIS A 57 8.335 -10.312 -7.024 1.00 0.00 C ATOM 879 C HIS A 57 8.479 -8.859 -7.437 1.00 0.00 C ATOM 880 O HIS A 57 8.638 -8.540 -8.614 1.00 0.00 O ATOM 881 CB HIS A 57 6.926 -10.567 -6.509 1.00 0.00 C ATOM 882 CG HIS A 57 6.097 -11.431 -7.410 1.00 0.00 C ATOM 883 ND1 HIS A 57 4.877 -11.036 -7.922 1.00 0.00 N ATOM 884 CD2 HIS A 57 6.317 -12.678 -7.890 1.00 0.00 C ATOM 885 CE1 HIS A 57 4.384 -12.004 -8.675 1.00 0.00 C ATOM 886 NE2 HIS A 57 5.239 -13.010 -8.673 1.00 0.00 N ATOM 0 H HIS A 57 8.854 -10.708 -5.051 1.00 0.00 H new ATOM 0 HA HIS A 57 8.529 -10.944 -7.891 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.988 -11.037 -5.527 1.00 0.00 H new ATOM 0 HB3 HIS A 57 6.421 -9.611 -6.373 1.00 0.00 H new ATOM 0 HD2 HIS A 57 7.180 -13.297 -7.693 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.442 -11.977 -9.202 1.00 0.00 H new ATOM 0 HE2 HIS A 57 5.118 -13.891 -9.172 1.00 0.00 H new ATOM 895 N LEU A 58 8.442 -7.981 -6.441 1.00 0.00 N ATOM 896 CA LEU A 58 8.589 -6.557 -6.682 1.00 0.00 C ATOM 897 C LEU A 58 10.016 -6.272 -7.119 1.00 0.00 C ATOM 898 O LEU A 58 10.271 -5.398 -7.948 1.00 0.00 O ATOM 899 CB LEU A 58 8.250 -5.771 -5.413 1.00 0.00 C ATOM 900 CG LEU A 58 6.887 -5.075 -5.423 1.00 0.00 C ATOM 901 CD1 LEU A 58 6.781 -4.117 -6.600 1.00 0.00 C ATOM 902 CD2 LEU A 58 5.766 -6.103 -5.464 1.00 0.00 C ATOM 0 H LEU A 58 8.311 -8.233 -5.461 1.00 0.00 H new ATOM 0 HA LEU A 58 7.903 -6.245 -7.469 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.286 -6.452 -4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.023 -5.019 -5.253 1.00 0.00 H new ATOM 0 HG LEU A 58 6.790 -4.496 -4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.804 -3.633 -6.588 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.562 -3.360 -6.525 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.900 -4.670 -7.531 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.803 -5.592 -5.471 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.861 -6.709 -6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.829 -6.746 -4.586 1.00 0.00 H new ATOM 914 N VAL A 59 10.939 -7.033 -6.546 1.00 0.00 N ATOM 915 CA VAL A 59 12.353 -6.901 -6.850 1.00 0.00 C ATOM 916 C VAL A 59 12.678 -7.425 -8.254 1.00 0.00 C ATOM 917 O VAL A 59 13.542 -6.884 -8.944 1.00 0.00 O ATOM 918 CB VAL A 59 13.197 -7.643 -5.782 1.00 0.00 C ATOM 919 CG1 VAL A 59 14.164 -8.638 -6.408 1.00 0.00 C ATOM 920 CG2 VAL A 59 13.938 -6.647 -4.905 1.00 0.00 C ATOM 0 H VAL A 59 10.727 -7.757 -5.859 1.00 0.00 H new ATOM 0 HA VAL A 59 12.606 -5.841 -6.830 1.00 0.00 H new ATOM 0 HB VAL A 59 12.509 -8.215 -5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.734 -9.134 -5.623 1.00 0.00 H new ATOM 0 HG12 VAL A 59 13.604 -9.382 -6.975 1.00 0.00 H new ATOM 0 HG13 VAL A 59 14.847 -8.111 -7.075 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.526 -7.184 -4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 59 14.601 -6.041 -5.523 1.00 0.00 H new ATOM 0 HG23 VAL A 59 13.219 -6.000 -4.402 1.00 0.00 H new ATOM 930 N GLN A 60 11.996 -8.493 -8.659 1.00 0.00 N ATOM 931 CA GLN A 60 12.225 -9.109 -9.968 1.00 0.00 C ATOM 932 C GLN A 60 11.464 -8.411 -11.084 1.00 0.00 C ATOM 933 O GLN A 60 11.639 -8.739 -12.257 1.00 0.00 O ATOM 934 CB GLN A 60 11.820 -10.581 -9.937 1.00 0.00 C ATOM 935 CG GLN A 60 12.870 -11.485 -9.323 1.00 0.00 C ATOM 936 CD GLN A 60 14.205 -11.393 -10.037 1.00 0.00 C ATOM 937 OE1 GLN A 60 15.057 -10.478 -9.585 1.00 0.00 O flip ATOM 938 NE2 GLN A 60 14.469 -12.135 -10.984 1.00 0.00 N flip ATOM 0 H GLN A 60 11.278 -8.953 -8.100 1.00 0.00 H new ATOM 0 HA GLN A 60 13.291 -9.012 -10.176 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.892 -10.682 -9.375 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.615 -10.915 -10.954 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.004 -11.221 -8.274 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.518 -12.516 -9.350 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.785 -12.824 -11.298 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.371 -12.061 -11.454 1.00 0.00 H new ATOM 947 N ASN A 61 10.600 -7.475 -10.727 1.00 0.00 N ATOM 948 CA ASN A 61 9.805 -6.781 -11.725 1.00 0.00 C ATOM 949 C ASN A 61 10.412 -5.429 -12.094 1.00 0.00 C ATOM 950 O ASN A 61 10.309 -4.991 -13.240 1.00 0.00 O ATOM 951 CB ASN A 61 8.377 -6.621 -11.216 1.00 0.00 C ATOM 952 CG ASN A 61 7.587 -7.914 -11.322 1.00 0.00 C ATOM 953 OD1 ASN A 61 8.231 -9.046 -11.021 1.00 0.00 O flip ATOM 954 ND2 ASN A 61 6.408 -7.902 -11.673 1.00 0.00 N flip ATOM 0 H ASN A 61 10.433 -7.181 -9.765 1.00 0.00 H new ATOM 0 HA ASN A 61 9.796 -7.380 -12.636 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.397 -6.293 -10.177 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.874 -5.841 -11.787 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.951 -7.018 -11.895 1.00 0.00 H new ATOM 0 HD22 ASN A 61 5.888 -8.777 -11.742 1.00 0.00 H new ATOM 961 N VAL A 62 11.045 -4.778 -11.120 1.00 0.00 N ATOM 962 CA VAL A 62 11.681 -3.473 -11.330 1.00 0.00 C ATOM 963 C VAL A 62 10.681 -2.333 -11.167 1.00 0.00 C ATOM 964 O VAL A 62 11.048 -1.230 -10.763 1.00 0.00 O ATOM 965 CB VAL A 62 12.350 -3.361 -12.716 1.00 0.00 C ATOM 966 CG1 VAL A 62 13.261 -2.146 -12.774 1.00 0.00 C ATOM 967 CG2 VAL A 62 13.124 -4.631 -13.041 1.00 0.00 C ATOM 0 H VAL A 62 11.133 -5.135 -10.168 1.00 0.00 H new ATOM 0 HA VAL A 62 12.454 -3.391 -10.566 1.00 0.00 H new ATOM 0 HB VAL A 62 11.568 -3.237 -13.465 1.00 0.00 H new ATOM 0 HG11 VAL A 62 13.723 -2.085 -13.759 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.677 -1.244 -12.590 1.00 0.00 H new ATOM 0 HG13 VAL A 62 14.037 -2.237 -12.014 1.00 0.00 H new ATOM 0 HG21 VAL A 62 13.589 -4.533 -14.022 1.00 0.00 H new ATOM 0 HG22 VAL A 62 13.896 -4.789 -12.288 1.00 0.00 H new ATOM 0 HG23 VAL A 62 12.442 -5.481 -13.046 1.00 0.00 H new ATOM 977 N LYS A 63 9.420 -2.604 -11.485 1.00 0.00 N ATOM 978 CA LYS A 63 8.361 -1.606 -11.372 1.00 0.00 C ATOM 979 C LYS A 63 8.819 -0.251 -11.902 1.00 0.00 C ATOM 980 O LYS A 63 8.735 0.763 -11.209 1.00 0.00 O ATOM 981 CB LYS A 63 7.907 -1.483 -9.916 1.00 0.00 C ATOM 982 CG LYS A 63 6.619 -2.235 -9.621 1.00 0.00 C ATOM 983 CD LYS A 63 6.736 -3.706 -9.989 1.00 0.00 C ATOM 984 CE LYS A 63 5.550 -4.170 -10.818 1.00 0.00 C ATOM 985 NZ LYS A 63 4.265 -4.027 -10.078 1.00 0.00 N ATOM 0 H LYS A 63 9.104 -3.512 -11.825 1.00 0.00 H new ATOM 0 HA LYS A 63 7.519 -1.935 -11.980 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.696 -1.858 -9.264 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.768 -0.429 -9.674 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.376 -2.142 -8.562 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.797 -1.784 -10.177 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.658 -3.870 -10.547 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.803 -4.305 -9.081 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.504 -3.592 -11.741 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.691 -5.213 -11.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.500 -4.477 -10.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.347 -4.486 -9.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.050 -3.018 -9.948 1.00 0.00 H new ATOM 999 N ASP A 64 9.307 -0.251 -13.140 1.00 0.00 N ATOM 1000 CA ASP A 64 9.788 0.974 -13.787 1.00 0.00 C ATOM 1001 C ASP A 64 8.890 2.163 -13.453 1.00 0.00 C ATOM 1002 O ASP A 64 9.355 3.187 -12.951 1.00 0.00 O ATOM 1003 CB ASP A 64 9.854 0.783 -15.303 1.00 0.00 C ATOM 1004 CG ASP A 64 10.866 -0.269 -15.712 1.00 0.00 C ATOM 1005 OD1 ASP A 64 10.636 -1.460 -15.415 1.00 0.00 O ATOM 1006 OD2 ASP A 64 11.886 0.098 -16.332 1.00 0.00 O ATOM 0 H ASP A 64 9.381 -1.087 -13.720 1.00 0.00 H new ATOM 0 HA ASP A 64 10.788 1.182 -13.407 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.869 0.498 -15.673 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.110 1.732 -15.775 1.00 0.00 H new ATOM 1011 N LYS A 65 7.599 2.014 -13.725 1.00 0.00 N ATOM 1012 CA LYS A 65 6.631 3.066 -13.442 1.00 0.00 C ATOM 1013 C LYS A 65 5.660 2.616 -12.371 1.00 0.00 C ATOM 1014 O LYS A 65 4.493 2.335 -12.649 1.00 0.00 O ATOM 1015 CB LYS A 65 5.854 3.436 -14.694 1.00 0.00 C ATOM 1016 CG LYS A 65 6.303 4.737 -15.331 1.00 0.00 C ATOM 1017 CD LYS A 65 7.517 4.534 -16.223 1.00 0.00 C ATOM 1018 CE LYS A 65 7.593 5.595 -17.309 1.00 0.00 C ATOM 1019 NZ LYS A 65 7.365 6.962 -16.765 1.00 0.00 N ATOM 0 H LYS A 65 7.198 1.174 -14.142 1.00 0.00 H new ATOM 0 HA LYS A 65 7.181 3.939 -13.092 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.954 2.632 -15.423 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.796 3.511 -14.445 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.486 5.156 -15.918 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.540 5.461 -14.552 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.423 4.565 -15.618 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.473 3.546 -16.681 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.571 5.554 -17.789 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.851 5.382 -18.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.686 7.669 -17.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.351 7.096 -16.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.899 7.077 -15.880 1.00 0.00 H new ATOM 1033 N ASP A 66 6.138 2.552 -11.148 1.00 0.00 N ATOM 1034 CA ASP A 66 5.290 2.137 -10.043 1.00 0.00 C ATOM 1035 C ASP A 66 5.747 2.698 -8.711 1.00 0.00 C ATOM 1036 O ASP A 66 6.827 2.387 -8.228 1.00 0.00 O ATOM 1037 CB ASP A 66 5.229 0.610 -9.973 1.00 0.00 C ATOM 1038 CG ASP A 66 3.969 0.049 -10.604 1.00 0.00 C ATOM 1039 OD1 ASP A 66 3.868 0.069 -11.848 1.00 0.00 O ATOM 1040 OD2 ASP A 66 3.084 -0.412 -9.853 1.00 0.00 O ATOM 0 H ASP A 66 7.099 2.779 -10.891 1.00 0.00 H new ATOM 0 HA ASP A 66 4.296 2.540 -10.236 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.101 0.191 -10.476 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.281 0.295 -8.931 1.00 0.00 H new ATOM 1045 N THR A 67 4.866 3.476 -8.099 1.00 0.00 N ATOM 1046 CA THR A 67 5.107 4.049 -6.785 1.00 0.00 C ATOM 1047 C THR A 67 4.119 3.412 -5.832 1.00 0.00 C ATOM 1048 O THR A 67 2.962 3.203 -6.196 1.00 0.00 O ATOM 1049 CB THR A 67 4.926 5.567 -6.797 1.00 0.00 C ATOM 1050 OG1 THR A 67 3.562 5.907 -6.956 1.00 0.00 O ATOM 1051 CG2 THR A 67 5.701 6.257 -7.896 1.00 0.00 C ATOM 0 H THR A 67 3.963 3.727 -8.501 1.00 0.00 H new ATOM 0 HA THR A 67 6.134 3.854 -6.476 1.00 0.00 H new ATOM 0 HB THR A 67 5.311 5.909 -5.836 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.349 5.968 -7.911 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.526 7.332 -7.845 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.765 6.056 -7.772 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.371 5.881 -8.865 1.00 0.00 H new ATOM 1059 N LEU A 68 4.556 3.066 -4.636 1.00 0.00 N ATOM 1060 CA LEU A 68 3.658 2.415 -3.699 1.00 0.00 C ATOM 1061 C LEU A 68 3.605 3.122 -2.360 1.00 0.00 C ATOM 1062 O LEU A 68 4.634 3.381 -1.736 1.00 0.00 O ATOM 1063 CB LEU A 68 4.075 0.958 -3.497 1.00 0.00 C ATOM 1064 CG LEU A 68 3.672 0.007 -4.625 1.00 0.00 C ATOM 1065 CD1 LEU A 68 4.655 -1.151 -4.726 1.00 0.00 C ATOM 1066 CD2 LEU A 68 2.258 -0.510 -4.405 1.00 0.00 C ATOM 0 H LEU A 68 5.505 3.220 -4.295 1.00 0.00 H new ATOM 0 HA LEU A 68 2.658 2.459 -4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.158 0.919 -3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.640 0.597 -2.565 1.00 0.00 H new ATOM 0 HG LEU A 68 3.695 0.559 -5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.351 -1.817 -5.534 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.653 -0.764 -4.930 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.665 -1.703 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.987 -1.185 -5.217 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.210 -1.045 -3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.563 0.329 -4.384 1.00 0.00 H new ATOM 1078 N VAL A 69 2.389 3.375 -1.892 1.00 0.00 N ATOM 1079 CA VAL A 69 2.198 3.986 -0.596 1.00 0.00 C ATOM 1080 C VAL A 69 1.583 2.927 0.296 1.00 0.00 C ATOM 1081 O VAL A 69 0.529 2.386 -0.024 1.00 0.00 O ATOM 1082 CB VAL A 69 1.289 5.233 -0.680 1.00 0.00 C ATOM 1083 CG1 VAL A 69 -0.010 4.909 -1.403 1.00 0.00 C ATOM 1084 CG2 VAL A 69 1.014 5.805 0.703 1.00 0.00 C ATOM 0 H VAL A 69 1.526 3.165 -2.394 1.00 0.00 H new ATOM 0 HA VAL A 69 3.150 4.334 -0.196 1.00 0.00 H new ATOM 0 HB VAL A 69 1.816 5.993 -1.256 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.633 5.802 -1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.212 4.568 -2.414 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.541 4.124 -0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.372 6.681 0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.517 5.053 1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.955 6.091 1.172 1.00 0.00 H new ATOM 1094 N PHE A 70 2.258 2.582 1.380 1.00 0.00 N ATOM 1095 CA PHE A 70 1.765 1.515 2.245 1.00 0.00 C ATOM 1096 C PHE A 70 1.102 2.035 3.504 1.00 0.00 C ATOM 1097 O PHE A 70 1.392 3.137 3.963 1.00 0.00 O ATOM 1098 CB PHE A 70 2.910 0.570 2.618 1.00 0.00 C ATOM 1099 CG PHE A 70 4.047 1.244 3.331 1.00 0.00 C ATOM 1100 CD1 PHE A 70 5.020 1.928 2.620 1.00 0.00 C ATOM 1101 CD2 PHE A 70 4.145 1.191 4.712 1.00 0.00 C ATOM 1102 CE1 PHE A 70 6.070 2.547 3.272 1.00 0.00 C ATOM 1103 CE2 PHE A 70 5.192 1.808 5.371 1.00 0.00 C ATOM 1104 CZ PHE A 70 6.155 2.487 4.649 1.00 0.00 C ATOM 0 H PHE A 70 3.132 3.013 1.681 1.00 0.00 H new ATOM 0 HA PHE A 70 1.004 0.978 1.679 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.519 -0.227 3.250 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.290 0.100 1.711 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.957 1.978 1.543 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.395 0.661 5.280 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.822 3.076 2.706 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.257 1.759 6.448 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.974 2.970 5.161 1.00 0.00 H new ATOM 1114 N HIS A 71 0.214 1.192 4.045 1.00 0.00 N ATOM 1115 CA HIS A 71 -0.544 1.472 5.274 1.00 0.00 C ATOM 1116 C HIS A 71 -1.966 0.917 5.147 1.00 0.00 C ATOM 1117 O HIS A 71 -2.185 -0.276 5.351 1.00 0.00 O ATOM 1118 CB HIS A 71 -0.576 2.971 5.609 1.00 0.00 C ATOM 1119 CG HIS A 71 0.608 3.430 6.410 1.00 0.00 C ATOM 1120 ND1 HIS A 71 0.637 4.626 7.098 1.00 0.00 N ATOM 1121 CD2 HIS A 71 1.815 2.850 6.621 1.00 0.00 C ATOM 1122 CE1 HIS A 71 1.810 4.760 7.693 1.00 0.00 C ATOM 1123 NE2 HIS A 71 2.541 3.697 7.419 1.00 0.00 N ATOM 0 H HIS A 71 -0.002 0.283 3.637 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.033 0.974 6.098 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.621 3.542 4.681 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.488 3.192 6.164 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.144 1.897 6.233 1.00 0.00 H new ATOM 0 HE1 HIS A 71 2.118 5.598 8.301 1.00 0.00 H new ATOM 0 HE2 HIS A 71 3.492 3.532 7.747 1.00 0.00 H new ATOM 1132 N SER A 72 -2.924 1.776 4.792 1.00 0.00 N ATOM 1133 CA SER A 72 -4.313 1.355 4.621 1.00 0.00 C ATOM 1134 C SER A 72 -4.909 0.808 5.915 1.00 0.00 C ATOM 1135 O SER A 72 -5.740 1.457 6.552 1.00 0.00 O ATOM 1136 CB SER A 72 -4.412 0.296 3.522 1.00 0.00 C ATOM 1137 OG SER A 72 -5.664 -0.367 3.564 1.00 0.00 O ATOM 0 H SER A 72 -2.761 2.768 4.618 1.00 0.00 H new ATOM 0 HA SER A 72 -4.886 2.237 4.336 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.278 0.765 2.547 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.608 -0.431 3.639 1.00 0.00 H new ATOM 0 HG SER A 72 -5.560 -1.284 3.235 1.00 0.00 H new ATOM 1143 N ALA A 73 -4.490 -0.400 6.285 1.00 0.00 N ATOM 1144 CA ALA A 73 -4.981 -1.069 7.489 1.00 0.00 C ATOM 1145 C ALA A 73 -5.203 -0.102 8.653 1.00 0.00 C ATOM 1146 O ALA A 73 -6.335 0.081 9.102 1.00 0.00 O ATOM 1147 CB ALA A 73 -4.020 -2.173 7.897 1.00 0.00 C ATOM 0 H ALA A 73 -3.803 -0.942 5.761 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.953 -1.498 7.245 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.393 -2.666 8.795 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.938 -2.901 7.090 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.038 -1.744 8.100 1.00 0.00 H new ATOM 1153 N LEU A 74 -4.130 0.509 9.146 1.00 0.00 N ATOM 1154 CA LEU A 74 -4.239 1.441 10.260 1.00 0.00 C ATOM 1155 C LEU A 74 -3.837 2.847 9.836 1.00 0.00 C ATOM 1156 O LEU A 74 -4.610 3.794 9.978 1.00 0.00 O ATOM 1157 CB LEU A 74 -3.367 0.981 11.434 1.00 0.00 C ATOM 1158 CG LEU A 74 -3.216 -0.537 11.597 1.00 0.00 C ATOM 1159 CD1 LEU A 74 -4.570 -1.233 11.512 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -2.255 -1.094 10.554 1.00 0.00 C ATOM 0 H LEU A 74 -3.182 0.376 8.794 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.281 1.460 10.579 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.374 1.416 11.317 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.786 1.387 12.355 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.801 -0.733 12.586 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.435 -2.308 11.631 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.221 -0.860 12.302 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.024 -1.029 10.542 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.160 -2.172 10.685 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.639 -0.882 9.556 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.277 -0.627 10.674 1.00 0.00 H new ATOM 1172 N SER A 75 -2.617 2.980 9.327 1.00 0.00 N ATOM 1173 CA SER A 75 -2.109 4.276 8.898 1.00 0.00 C ATOM 1174 C SER A 75 -2.044 5.240 10.076 1.00 0.00 C ATOM 1175 O SER A 75 -1.983 6.457 9.896 1.00 0.00 O ATOM 1176 CB SER A 75 -2.994 4.862 7.796 1.00 0.00 C ATOM 1177 OG SER A 75 -3.450 3.853 6.913 1.00 0.00 O ATOM 0 H SER A 75 -1.963 2.207 9.202 1.00 0.00 H new ATOM 0 HA SER A 75 -1.103 4.133 8.503 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.848 5.370 8.244 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.434 5.612 7.237 1.00 0.00 H new ATOM 0 HG SER A 75 -4.362 3.592 7.158 1.00 0.00 H new ATOM 1183 N GLN A 76 -2.063 4.690 11.287 1.00 0.00 N ATOM 1184 CA GLN A 76 -2.012 5.505 12.496 1.00 0.00 C ATOM 1185 C GLN A 76 -0.686 5.322 13.229 1.00 0.00 C ATOM 1186 O GLN A 76 0.210 6.160 13.127 1.00 0.00 O ATOM 1187 CB GLN A 76 -3.176 5.150 13.424 1.00 0.00 C ATOM 1188 CG GLN A 76 -4.530 5.595 12.896 1.00 0.00 C ATOM 1189 CD GLN A 76 -5.658 4.686 13.342 1.00 0.00 C ATOM 1190 OE1 GLN A 76 -5.525 3.394 13.058 1.00 0.00 O flip ATOM 1191 NE2 GLN A 76 -6.638 5.137 13.934 1.00 0.00 N flip ATOM 0 H GLN A 76 -2.113 3.685 11.457 1.00 0.00 H new ATOM 0 HA GLN A 76 -2.096 6.551 12.200 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.192 4.071 13.578 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -3.006 5.608 14.398 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.732 6.611 13.235 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.500 5.622 11.807 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.699 6.136 14.132 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.389 4.512 14.227 1.00 0.00 H new ATOM 1200 N VAL A 77 -0.566 4.226 13.971 1.00 0.00 N ATOM 1201 CA VAL A 77 0.652 3.941 14.722 1.00 0.00 C ATOM 1202 C VAL A 77 1.339 2.669 14.224 1.00 0.00 C ATOM 1203 O VAL A 77 2.500 2.419 14.540 1.00 0.00 O ATOM 1204 CB VAL A 77 0.361 3.806 16.230 1.00 0.00 C ATOM 1205 CG1 VAL A 77 -0.567 2.630 16.497 1.00 0.00 C ATOM 1206 CG2 VAL A 77 1.657 3.665 17.016 1.00 0.00 C ATOM 0 H VAL A 77 -1.297 3.521 14.069 1.00 0.00 H new ATOM 0 HA VAL A 77 1.322 4.786 14.561 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.141 4.714 16.564 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.759 2.554 17.567 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.509 2.783 15.970 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.099 1.710 16.146 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.430 3.571 18.078 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.192 2.777 16.679 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.278 4.546 16.854 1.00 0.00 H new ATOM 1216 N ARG A 78 0.613 1.872 13.443 1.00 0.00 N ATOM 1217 CA ARG A 78 1.149 0.632 12.893 1.00 0.00 C ATOM 1218 C ARG A 78 2.060 0.903 11.706 1.00 0.00 C ATOM 1219 O ARG A 78 2.924 0.089 11.397 1.00 0.00 O ATOM 1220 CB ARG A 78 0.018 -0.309 12.486 1.00 0.00 C ATOM 1221 CG ARG A 78 0.225 -1.742 12.951 1.00 0.00 C ATOM 1222 CD ARG A 78 -0.932 -2.231 13.811 1.00 0.00 C ATOM 1223 NE ARG A 78 -1.765 -3.204 13.109 1.00 0.00 N ATOM 1224 CZ ARG A 78 -2.584 -4.058 13.722 1.00 0.00 C ATOM 1225 NH1 ARG A 78 -2.679 -4.063 15.045 1.00 0.00 N ATOM 1226 NH2 ARG A 78 -3.313 -4.906 13.007 1.00 0.00 N ATOM 0 H ARG A 78 -0.352 2.065 13.177 1.00 0.00 H new ATOM 0 HA ARG A 78 1.741 0.153 13.672 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.920 0.065 12.895 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.080 -0.298 11.400 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.334 -2.393 12.084 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.153 -1.809 13.518 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.540 -2.681 14.723 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.544 -1.381 14.112 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.717 -3.231 12.090 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.123 -3.411 15.599 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.308 -4.719 15.509 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.246 -4.904 11.989 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.940 -5.560 13.475 1.00 0.00 H new ATOM 1240 N GLY A 79 1.855 2.041 11.035 1.00 0.00 N ATOM 1241 CA GLY A 79 2.676 2.392 9.881 1.00 0.00 C ATOM 1242 C GLY A 79 4.079 1.816 9.971 1.00 0.00 C ATOM 1243 O GLY A 79 4.521 1.102 9.071 1.00 0.00 O ATOM 0 H GLY A 79 1.136 2.725 11.270 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.195 2.029 8.973 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.736 3.477 9.798 1.00 0.00 H new ATOM 1247 N PRO A 80 4.797 2.091 11.074 1.00 0.00 N ATOM 1248 CA PRO A 80 6.146 1.566 11.284 1.00 0.00 C ATOM 1249 C PRO A 80 6.163 0.047 11.165 1.00 0.00 C ATOM 1250 O PRO A 80 7.069 -0.526 10.562 1.00 0.00 O ATOM 1251 CB PRO A 80 6.491 2.003 12.710 1.00 0.00 C ATOM 1252 CG PRO A 80 5.609 3.174 12.974 1.00 0.00 C ATOM 1253 CD PRO A 80 4.343 2.914 12.207 1.00 0.00 C ATOM 0 HA PRO A 80 6.859 1.933 10.546 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.308 1.201 13.425 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.543 2.273 12.797 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.406 3.278 14.040 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.081 4.101 12.647 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.605 2.390 12.814 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.879 3.841 11.870 1.00 0.00 H new ATOM 1261 N THR A 81 5.135 -0.601 11.722 1.00 0.00 N ATOM 1262 CA THR A 81 5.025 -2.052 11.649 1.00 0.00 C ATOM 1263 C THR A 81 4.964 -2.489 10.189 1.00 0.00 C ATOM 1264 O THR A 81 5.620 -3.448 9.786 1.00 0.00 O ATOM 1265 CB THR A 81 3.780 -2.531 12.397 1.00 0.00 C ATOM 1266 OG1 THR A 81 3.352 -1.560 13.333 1.00 0.00 O ATOM 1267 CG2 THR A 81 3.996 -3.826 13.148 1.00 0.00 C ATOM 0 H THR A 81 4.374 -0.143 12.224 1.00 0.00 H new ATOM 0 HA THR A 81 5.901 -2.498 12.120 1.00 0.00 H new ATOM 0 HB THR A 81 3.027 -2.696 11.627 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.122 -1.999 14.178 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.075 -4.110 13.656 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.280 -4.610 12.446 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.790 -3.692 13.883 1.00 0.00 H new ATOM 1275 N CYS A 82 4.190 -1.754 9.392 1.00 0.00 N ATOM 1276 CA CYS A 82 4.076 -2.048 7.970 1.00 0.00 C ATOM 1277 C CYS A 82 5.457 -1.964 7.341 1.00 0.00 C ATOM 1278 O CYS A 82 5.819 -2.766 6.481 1.00 0.00 O ATOM 1279 CB CYS A 82 3.123 -1.064 7.290 1.00 0.00 C ATOM 1280 SG CYS A 82 1.561 -0.823 8.169 1.00 0.00 S ATOM 0 H CYS A 82 3.637 -0.957 9.707 1.00 0.00 H new ATOM 0 HA CYS A 82 3.671 -3.051 7.839 1.00 0.00 H new ATOM 0 HB2 CYS A 82 3.623 -0.101 7.189 1.00 0.00 H new ATOM 0 HB3 CYS A 82 2.909 -1.419 6.282 1.00 0.00 H new ATOM 0 HG CYS A 82 1.137 0.391 7.976 1.00 0.00 H new ATOM 1286 N ALA A 83 6.236 -0.997 7.819 1.00 0.00 N ATOM 1287 CA ALA A 83 7.596 -0.815 7.348 1.00 0.00 C ATOM 1288 C ALA A 83 8.439 -1.999 7.784 1.00 0.00 C ATOM 1289 O ALA A 83 9.376 -2.388 7.094 1.00 0.00 O ATOM 1290 CB ALA A 83 8.176 0.490 7.868 1.00 0.00 C ATOM 0 H ALA A 83 5.944 -0.330 8.533 1.00 0.00 H new ATOM 0 HA ALA A 83 7.596 -0.761 6.259 1.00 0.00 H new ATOM 0 HB1 ALA A 83 9.196 0.606 7.503 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.568 1.324 7.517 1.00 0.00 H new ATOM 0 HB3 ALA A 83 8.180 0.478 8.958 1.00 0.00 H new ATOM 1296 N ARG A 84 8.073 -2.593 8.921 1.00 0.00 N ATOM 1297 CA ARG A 84 8.773 -3.767 9.418 1.00 0.00 C ATOM 1298 C ARG A 84 8.601 -4.892 8.411 1.00 0.00 C ATOM 1299 O ARG A 84 9.503 -5.702 8.199 1.00 0.00 O ATOM 1300 CB ARG A 84 8.243 -4.196 10.788 1.00 0.00 C ATOM 1301 CG ARG A 84 8.392 -3.130 11.861 1.00 0.00 C ATOM 1302 CD ARG A 84 9.796 -3.118 12.441 1.00 0.00 C ATOM 1303 NE ARG A 84 10.721 -2.350 11.613 1.00 0.00 N ATOM 1304 CZ ARG A 84 12.037 -2.321 11.807 1.00 0.00 C ATOM 1305 NH1 ARG A 84 12.586 -3.011 12.799 1.00 0.00 N ATOM 1306 NH2 ARG A 84 12.808 -1.601 11.007 1.00 0.00 N ATOM 0 H ARG A 84 7.300 -2.279 9.508 1.00 0.00 H new ATOM 0 HA ARG A 84 9.829 -3.527 9.541 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.190 -4.460 10.694 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.770 -5.096 11.106 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.163 -2.152 11.438 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.670 -3.310 12.657 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.770 -2.694 13.445 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.158 -4.142 12.536 1.00 0.00 H new ATOM 0 HE ARG A 84 10.337 -1.804 10.842 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.998 -3.568 13.419 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.596 -2.984 12.941 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.393 -1.069 10.242 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.817 -1.579 11.155 1.00 0.00 H new ATOM 1320 N ARG A 85 7.435 -4.919 7.769 1.00 0.00 N ATOM 1321 CA ARG A 85 7.159 -5.923 6.754 1.00 0.00 C ATOM 1322 C ARG A 85 8.036 -5.663 5.542 1.00 0.00 C ATOM 1323 O ARG A 85 8.703 -6.569 5.045 1.00 0.00 O ATOM 1324 CB ARG A 85 5.679 -5.916 6.360 1.00 0.00 C ATOM 1325 CG ARG A 85 4.735 -5.918 7.550 1.00 0.00 C ATOM 1326 CD ARG A 85 4.363 -7.333 7.963 1.00 0.00 C ATOM 1327 NE ARG A 85 5.505 -8.065 8.502 1.00 0.00 N ATOM 1328 CZ ARG A 85 5.951 -7.927 9.750 1.00 0.00 C ATOM 1329 NH1 ARG A 85 5.360 -7.082 10.585 1.00 0.00 N ATOM 1330 NH2 ARG A 85 6.993 -8.638 10.163 1.00 0.00 N ATOM 0 H ARG A 85 6.674 -4.261 7.935 1.00 0.00 H new ATOM 0 HA ARG A 85 7.385 -6.909 7.161 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.478 -5.036 5.749 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.472 -6.789 5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 85 5.204 -5.404 8.389 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.832 -5.361 7.300 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.571 -7.296 8.711 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.963 -7.868 7.102 1.00 0.00 H new ATOM 0 HE ARG A 85 5.989 -8.720 7.888 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.559 -6.533 10.273 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.707 -6.981 11.539 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.451 -9.289 9.525 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.336 -8.533 11.118 1.00 0.00 H new ATOM 1344 N LEU A 86 8.081 -4.409 5.093 1.00 0.00 N ATOM 1345 CA LEU A 86 8.946 -4.065 3.969 1.00 0.00 C ATOM 1346 C LEU A 86 10.390 -4.267 4.404 1.00 0.00 C ATOM 1347 O LEU A 86 11.270 -4.526 3.586 1.00 0.00 O ATOM 1348 CB LEU A 86 8.709 -2.622 3.517 1.00 0.00 C ATOM 1349 CG LEU A 86 8.377 -2.457 2.035 1.00 0.00 C ATOM 1350 CD1 LEU A 86 9.583 -2.806 1.177 1.00 0.00 C ATOM 1351 CD2 LEU A 86 7.184 -3.321 1.656 1.00 0.00 C ATOM 0 H LEU A 86 7.543 -3.633 5.479 1.00 0.00 H new ATOM 0 HA LEU A 86 8.721 -4.708 3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.894 -2.202 4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.600 -2.035 3.742 1.00 0.00 H new ATOM 0 HG LEU A 86 8.117 -1.414 1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.328 -2.683 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.413 -2.145 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.874 -3.840 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.962 -3.190 0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.416 -4.368 1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.318 -3.025 2.247 1.00 0.00 H new ATOM 1363 N VAL A 87 10.617 -4.213 5.719 1.00 0.00 N ATOM 1364 CA VAL A 87 11.938 -4.464 6.257 1.00 0.00 C ATOM 1365 C VAL A 87 12.267 -5.918 5.967 1.00 0.00 C ATOM 1366 O VAL A 87 13.396 -6.254 5.620 1.00 0.00 O ATOM 1367 CB VAL A 87 12.028 -4.176 7.775 1.00 0.00 C ATOM 1368 CG1 VAL A 87 13.285 -4.793 8.374 1.00 0.00 C ATOM 1369 CG2 VAL A 87 11.996 -2.675 8.033 1.00 0.00 C ATOM 0 H VAL A 87 9.905 -3.999 6.417 1.00 0.00 H new ATOM 0 HA VAL A 87 12.655 -3.791 5.786 1.00 0.00 H new ATOM 0 HB VAL A 87 11.164 -4.632 8.259 1.00 0.00 H new ATOM 0 HG11 VAL A 87 13.324 -4.576 9.441 1.00 0.00 H new ATOM 0 HG12 VAL A 87 13.268 -5.872 8.224 1.00 0.00 H new ATOM 0 HG13 VAL A 87 14.165 -4.373 7.886 1.00 0.00 H new ATOM 0 HG21 VAL A 87 12.060 -2.489 9.105 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.840 -2.202 7.531 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.065 -2.259 7.648 1.00 0.00 H new ATOM 1379 N ASN A 88 11.238 -6.770 6.059 1.00 0.00 N ATOM 1380 CA ASN A 88 11.397 -8.181 5.745 1.00 0.00 C ATOM 1381 C ASN A 88 11.715 -8.311 4.262 1.00 0.00 C ATOM 1382 O ASN A 88 12.358 -9.268 3.831 1.00 0.00 O ATOM 1383 CB ASN A 88 10.114 -8.959 6.098 1.00 0.00 C ATOM 1384 CG ASN A 88 9.677 -9.942 5.011 1.00 0.00 C ATOM 1385 OD1 ASN A 88 10.206 -11.049 4.918 1.00 0.00 O ATOM 1386 ND2 ASN A 88 8.707 -9.536 4.186 1.00 0.00 N ATOM 0 H ASN A 88 10.297 -6.502 6.347 1.00 0.00 H new ATOM 0 HA ASN A 88 12.212 -8.604 6.333 1.00 0.00 H new ATOM 0 HB2 ASN A 88 10.274 -9.505 7.027 1.00 0.00 H new ATOM 0 HB3 ASN A 88 9.307 -8.249 6.280 1.00 0.00 H new ATOM 0 HD21 ASN A 88 8.378 -10.153 3.443 1.00 0.00 H new ATOM 0 HD22 ASN A 88 8.296 -8.609 4.299 1.00 0.00 H new ATOM 1393 N TYR A 89 11.252 -7.329 3.488 1.00 0.00 N ATOM 1394 CA TYR A 89 11.481 -7.318 2.054 1.00 0.00 C ATOM 1395 C TYR A 89 12.945 -7.058 1.758 1.00 0.00 C ATOM 1396 O TYR A 89 13.644 -7.932 1.244 1.00 0.00 O ATOM 1397 CB TYR A 89 10.583 -6.268 1.370 1.00 0.00 C ATOM 1398 CG TYR A 89 10.751 -6.178 -0.134 1.00 0.00 C ATOM 1399 CD1 TYR A 89 11.837 -5.521 -0.696 1.00 0.00 C ATOM 1400 CD2 TYR A 89 9.828 -6.766 -0.990 1.00 0.00 C ATOM 1401 CE1 TYR A 89 11.996 -5.450 -2.068 1.00 0.00 C ATOM 1402 CE2 TYR A 89 9.980 -6.707 -2.362 1.00 0.00 C ATOM 1403 CZ TYR A 89 11.065 -6.044 -2.896 1.00 0.00 C ATOM 1404 OH TYR A 89 11.223 -5.977 -4.259 1.00 0.00 O ATOM 0 H TYR A 89 10.717 -6.533 3.836 1.00 0.00 H new ATOM 0 HA TYR A 89 11.220 -8.296 1.650 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.541 -6.499 1.593 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.793 -5.291 1.805 1.00 0.00 H new ATOM 0 HD1 TYR A 89 12.570 -5.058 -0.052 1.00 0.00 H new ATOM 0 HD2 TYR A 89 8.974 -7.280 -0.574 1.00 0.00 H new ATOM 0 HE1 TYR A 89 12.845 -4.932 -2.490 1.00 0.00 H new ATOM 0 HE2 TYR A 89 9.255 -7.176 -3.011 1.00 0.00 H new ATOM 0 HH TYR A 89 11.228 -5.039 -4.542 1.00 0.00 H new ATOM 1414 N LEU A 90 13.422 -5.872 2.109 1.00 0.00 N ATOM 1415 CA LEU A 90 14.824 -5.549 1.898 1.00 0.00 C ATOM 1416 C LEU A 90 15.682 -6.617 2.569 1.00 0.00 C ATOM 1417 O LEU A 90 16.770 -6.954 2.102 1.00 0.00 O ATOM 1418 CB LEU A 90 15.162 -4.163 2.460 1.00 0.00 C ATOM 1419 CG LEU A 90 14.370 -3.751 3.706 1.00 0.00 C ATOM 1420 CD1 LEU A 90 15.301 -3.201 4.777 1.00 0.00 C ATOM 1421 CD2 LEU A 90 13.307 -2.726 3.344 1.00 0.00 C ATOM 0 H LEU A 90 12.868 -5.129 2.535 1.00 0.00 H new ATOM 0 HA LEU A 90 15.028 -5.528 0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 90 16.225 -4.136 2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 90 14.992 -3.421 1.680 1.00 0.00 H new ATOM 0 HG LEU A 90 13.875 -4.636 4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 90 14.719 -2.914 5.653 1.00 0.00 H new ATOM 0 HD12 LEU A 90 16.025 -3.966 5.057 1.00 0.00 H new ATOM 0 HD13 LEU A 90 15.826 -2.328 4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 90 12.754 -2.444 4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 90 13.783 -1.843 2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 90 12.621 -3.156 2.614 1.00 0.00 H new ATOM 1433 N ASP A 91 15.155 -7.162 3.662 1.00 0.00 N ATOM 1434 CA ASP A 91 15.832 -8.212 4.402 1.00 0.00 C ATOM 1435 C ASP A 91 15.845 -9.509 3.604 1.00 0.00 C ATOM 1436 O ASP A 91 16.788 -10.294 3.703 1.00 0.00 O ATOM 1437 CB ASP A 91 15.147 -8.450 5.751 1.00 0.00 C ATOM 1438 CG ASP A 91 15.959 -9.356 6.657 1.00 0.00 C ATOM 1439 OD1 ASP A 91 17.086 -9.731 6.268 1.00 0.00 O ATOM 1440 OD2 ASP A 91 15.468 -9.691 7.755 1.00 0.00 O ATOM 0 H ASP A 91 14.254 -6.888 4.054 1.00 0.00 H new ATOM 0 HA ASP A 91 16.859 -7.890 4.575 1.00 0.00 H new ATOM 0 HB2 ASP A 91 14.986 -7.493 6.248 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.165 -8.892 5.584 1.00 0.00 H new ATOM 1445 N GLU A 92 14.786 -9.747 2.827 1.00 0.00 N ATOM 1446 CA GLU A 92 14.695 -10.972 2.044 1.00 0.00 C ATOM 1447 C GLU A 92 15.527 -10.899 0.766 1.00 0.00 C ATOM 1448 O GLU A 92 16.459 -11.682 0.585 1.00 0.00 O ATOM 1449 CB GLU A 92 13.236 -11.289 1.710 1.00 0.00 C ATOM 1450 CG GLU A 92 12.675 -12.470 2.491 1.00 0.00 C ATOM 1451 CD GLU A 92 13.550 -13.705 2.401 1.00 0.00 C ATOM 1452 OE1 GLU A 92 14.459 -13.853 3.244 1.00 0.00 O ATOM 1453 OE2 GLU A 92 13.325 -14.526 1.486 1.00 0.00 O ATOM 0 H GLU A 92 13.992 -9.115 2.726 1.00 0.00 H new ATOM 0 HA GLU A 92 15.104 -11.777 2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 92 12.626 -10.408 1.911 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.153 -11.497 0.643 1.00 0.00 H new ATOM 0 HG2 GLU A 92 12.562 -12.186 3.537 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.680 -12.708 2.116 1.00 0.00 H new ATOM 1460 N LYS A 93 15.184 -9.973 -0.129 1.00 0.00 N ATOM 1461 CA LYS A 93 15.909 -9.845 -1.390 1.00 0.00 C ATOM 1462 C LYS A 93 16.055 -8.391 -1.832 1.00 0.00 C ATOM 1463 O LYS A 93 15.639 -8.022 -2.930 1.00 0.00 O ATOM 1464 CB LYS A 93 15.195 -10.634 -2.482 1.00 0.00 C ATOM 1465 CG LYS A 93 15.204 -12.140 -2.261 1.00 0.00 C ATOM 1466 CD LYS A 93 13.801 -12.730 -2.327 1.00 0.00 C ATOM 1467 CE LYS A 93 13.433 -13.445 -1.037 1.00 0.00 C ATOM 1468 NZ LYS A 93 13.633 -14.916 -1.142 1.00 0.00 N ATOM 0 H LYS A 93 14.419 -9.309 -0.006 1.00 0.00 H new ATOM 0 HA LYS A 93 16.910 -10.245 -1.226 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.162 -10.292 -2.547 1.00 0.00 H new ATOM 0 HB3 LYS A 93 15.664 -10.415 -3.441 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.833 -12.614 -3.014 1.00 0.00 H new ATOM 0 HG3 LYS A 93 15.646 -12.362 -1.290 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.080 -11.936 -2.522 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.738 -13.429 -3.161 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.038 -13.054 -0.219 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.392 -13.237 -0.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.603 -15.339 -0.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.879 -15.328 -1.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.557 -15.110 -1.579 1.00 0.00 H new ATOM 1482 N LYS A 94 16.659 -7.574 -0.984 1.00 0.00 N ATOM 1483 CA LYS A 94 16.869 -6.165 -1.306 1.00 0.00 C ATOM 1484 C LYS A 94 17.687 -6.019 -2.587 1.00 0.00 C ATOM 1485 O LYS A 94 18.886 -6.295 -2.602 1.00 0.00 O ATOM 1486 CB LYS A 94 17.586 -5.446 -0.160 1.00 0.00 C ATOM 1487 CG LYS A 94 18.833 -6.166 0.330 1.00 0.00 C ATOM 1488 CD LYS A 94 20.097 -5.388 -0.005 1.00 0.00 C ATOM 1489 CE LYS A 94 20.118 -4.032 0.685 1.00 0.00 C ATOM 1490 NZ LYS A 94 20.844 -4.078 1.985 1.00 0.00 N ATOM 0 H LYS A 94 17.013 -7.857 -0.070 1.00 0.00 H new ATOM 0 HA LYS A 94 15.890 -5.710 -1.454 1.00 0.00 H new ATOM 0 HB2 LYS A 94 17.861 -4.444 -0.488 1.00 0.00 H new ATOM 0 HB3 LYS A 94 16.893 -5.330 0.674 1.00 0.00 H new ATOM 0 HG2 LYS A 94 18.770 -6.312 1.408 1.00 0.00 H new ATOM 0 HG3 LYS A 94 18.884 -7.156 -0.123 1.00 0.00 H new ATOM 0 HD2 LYS A 94 20.971 -5.965 0.298 1.00 0.00 H new ATOM 0 HD3 LYS A 94 20.165 -5.249 -1.084 1.00 0.00 H new ATOM 0 HE2 LYS A 94 20.592 -3.300 0.031 1.00 0.00 H new ATOM 0 HE3 LYS A 94 19.095 -3.695 0.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 20.835 -3.134 2.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 20.378 -4.757 2.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 21.828 -4.375 1.823 1.00 0.00 H new ATOM 1504 N GLU A 95 17.035 -5.581 -3.660 1.00 0.00 N ATOM 1505 CA GLU A 95 17.712 -5.397 -4.940 1.00 0.00 C ATOM 1506 C GLU A 95 16.924 -4.466 -5.849 1.00 0.00 C ATOM 1507 O GLU A 95 15.812 -4.785 -6.270 1.00 0.00 O ATOM 1508 CB GLU A 95 17.925 -6.741 -5.635 1.00 0.00 C ATOM 1509 CG GLU A 95 18.654 -6.627 -6.966 1.00 0.00 C ATOM 1510 CD GLU A 95 18.486 -7.859 -7.833 1.00 0.00 C ATOM 1511 OE1 GLU A 95 18.324 -8.963 -7.271 1.00 0.00 O ATOM 1512 OE2 GLU A 95 18.518 -7.719 -9.074 1.00 0.00 O ATOM 0 H GLU A 95 16.042 -5.348 -3.669 1.00 0.00 H new ATOM 0 HA GLU A 95 18.682 -4.944 -4.738 1.00 0.00 H new ATOM 0 HB2 GLU A 95 18.492 -7.397 -4.974 1.00 0.00 H new ATOM 0 HB3 GLU A 95 16.957 -7.214 -5.799 1.00 0.00 H new ATOM 0 HG2 GLU A 95 18.283 -5.755 -7.505 1.00 0.00 H new ATOM 0 HG3 GLU A 95 19.715 -6.460 -6.781 1.00 0.00 H new ATOM 1519 N ASP A 96 17.515 -3.314 -6.152 1.00 0.00 N ATOM 1520 CA ASP A 96 16.881 -2.323 -7.017 1.00 0.00 C ATOM 1521 C ASP A 96 15.414 -2.124 -6.645 1.00 0.00 C ATOM 1522 O ASP A 96 14.538 -2.838 -7.133 1.00 0.00 O ATOM 1523 CB ASP A 96 16.996 -2.751 -8.482 1.00 0.00 C ATOM 1524 CG ASP A 96 18.316 -2.335 -9.103 1.00 0.00 C ATOM 1525 OD1 ASP A 96 18.444 -1.154 -9.487 1.00 0.00 O ATOM 1526 OD2 ASP A 96 19.219 -3.190 -9.205 1.00 0.00 O ATOM 0 H ASP A 96 18.437 -3.042 -5.810 1.00 0.00 H new ATOM 0 HA ASP A 96 17.399 -1.374 -6.878 1.00 0.00 H new ATOM 0 HB2 ASP A 96 16.890 -3.834 -8.551 1.00 0.00 H new ATOM 0 HB3 ASP A 96 16.176 -2.314 -9.051 1.00 0.00 H new ATOM 1531 N THR A 97 15.154 -1.149 -5.778 1.00 0.00 N ATOM 1532 CA THR A 97 13.792 -0.855 -5.339 1.00 0.00 C ATOM 1533 C THR A 97 12.855 -0.715 -6.534 1.00 0.00 C ATOM 1534 O THR A 97 12.812 0.330 -7.183 1.00 0.00 O ATOM 1535 CB THR A 97 13.767 0.426 -4.503 1.00 0.00 C ATOM 1536 OG1 THR A 97 15.060 0.726 -4.006 1.00 0.00 O ATOM 1537 CG2 THR A 97 12.828 0.349 -3.318 1.00 0.00 C ATOM 0 H THR A 97 15.868 -0.549 -5.365 1.00 0.00 H new ATOM 0 HA THR A 97 13.447 -1.687 -4.725 1.00 0.00 H new ATOM 0 HB THR A 97 13.412 1.204 -5.178 1.00 0.00 H new ATOM 0 HG1 THR A 97 15.563 1.224 -4.683 1.00 0.00 H new ATOM 0 HG21 THR A 97 12.858 1.290 -2.768 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.813 0.167 -3.670 1.00 0.00 H new ATOM 0 HG23 THR A 97 13.136 -0.465 -2.662 1.00 0.00 H new ATOM 1545 N GLY A 98 12.110 -1.778 -6.824 1.00 0.00 N ATOM 1546 CA GLY A 98 11.188 -1.757 -7.944 1.00 0.00 C ATOM 1547 C GLY A 98 10.281 -0.540 -7.931 1.00 0.00 C ATOM 1548 O GLY A 98 9.990 0.041 -8.976 1.00 0.00 O ATOM 0 H GLY A 98 12.129 -2.654 -6.302 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.754 -1.774 -8.876 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.578 -2.660 -7.925 1.00 0.00 H new ATOM 1552 N ILE A 99 9.840 -0.153 -6.742 1.00 0.00 N ATOM 1553 CA ILE A 99 8.962 1.007 -6.591 1.00 0.00 C ATOM 1554 C ILE A 99 9.684 2.294 -6.955 1.00 0.00 C ATOM 1555 O ILE A 99 10.857 2.479 -6.632 1.00 0.00 O ATOM 1556 CB ILE A 99 8.405 1.170 -5.156 1.00 0.00 C ATOM 1557 CG1 ILE A 99 9.249 0.401 -4.133 1.00 0.00 C ATOM 1558 CG2 ILE A 99 6.953 0.730 -5.089 1.00 0.00 C ATOM 1559 CD1 ILE A 99 8.812 0.622 -2.701 1.00 0.00 C ATOM 0 H ILE A 99 10.073 -0.622 -5.867 1.00 0.00 H new ATOM 0 HA ILE A 99 8.130 0.822 -7.270 1.00 0.00 H new ATOM 0 HB ILE A 99 8.459 2.228 -4.901 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.199 -0.664 -4.360 1.00 0.00 H new ATOM 0 HG13 ILE A 99 10.292 0.700 -4.236 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.582 0.853 -4.071 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.357 1.339 -5.769 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.877 -0.318 -5.379 1.00 0.00 H new ATOM 0 HD11 ILE A 99 9.453 0.048 -2.032 1.00 0.00 H new ATOM 0 HD12 ILE A 99 8.889 1.681 -2.456 1.00 0.00 H new ATOM 0 HD13 ILE A 99 7.779 0.296 -2.582 1.00 0.00 H new ATOM 1571 N LYS A 100 8.963 3.184 -7.617 1.00 0.00 N ATOM 1572 CA LYS A 100 9.512 4.468 -8.018 1.00 0.00 C ATOM 1573 C LYS A 100 9.581 5.405 -6.821 1.00 0.00 C ATOM 1574 O LYS A 100 10.559 6.131 -6.643 1.00 0.00 O ATOM 1575 CB LYS A 100 8.655 5.088 -9.123 1.00 0.00 C ATOM 1576 CG LYS A 100 9.391 5.260 -10.440 1.00 0.00 C ATOM 1577 CD LYS A 100 9.862 6.692 -10.634 1.00 0.00 C ATOM 1578 CE LYS A 100 10.610 6.855 -11.947 1.00 0.00 C ATOM 1579 NZ LYS A 100 11.137 8.237 -12.118 1.00 0.00 N ATOM 0 H LYS A 100 7.991 3.039 -7.889 1.00 0.00 H new ATOM 0 HA LYS A 100 10.520 4.313 -8.402 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.778 4.461 -9.286 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.294 6.061 -8.789 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.248 4.587 -10.469 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.735 4.977 -11.264 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.004 7.365 -10.616 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.510 6.979 -9.806 1.00 0.00 H new ATOM 0 HE2 LYS A 100 11.436 6.144 -11.985 1.00 0.00 H new ATOM 0 HE3 LYS A 100 9.944 6.615 -12.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 11.640 8.307 -13.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.347 8.914 -12.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.792 8.457 -11.341 1.00 0.00 H new ATOM 1593 N ASN A 101 8.530 5.389 -6.005 1.00 0.00 N ATOM 1594 CA ASN A 101 8.475 6.246 -4.829 1.00 0.00 C ATOM 1595 C ASN A 101 7.586 5.661 -3.731 1.00 0.00 C ATOM 1596 O ASN A 101 6.405 5.392 -3.949 1.00 0.00 O ATOM 1597 CB ASN A 101 7.959 7.629 -5.224 1.00 0.00 C ATOM 1598 CG ASN A 101 8.793 8.750 -4.636 1.00 0.00 C ATOM 1599 OD1 ASN A 101 9.640 9.331 -5.314 1.00 0.00 O ATOM 1600 ND2 ASN A 101 8.558 9.060 -3.366 1.00 0.00 N ATOM 0 H ASN A 101 7.711 4.795 -6.137 1.00 0.00 H new ATOM 0 HA ASN A 101 9.486 6.322 -4.430 1.00 0.00 H new ATOM 0 HB2 ASN A 101 7.955 7.715 -6.311 1.00 0.00 H new ATOM 0 HB3 ASN A 101 6.926 7.736 -4.892 1.00 0.00 H new ATOM 0 HD21 ASN A 101 9.089 9.806 -2.916 1.00 0.00 H new ATOM 0 HD22 ASN A 101 7.846 8.553 -2.840 1.00 0.00 H new ATOM 1607 N ILE A 102 8.160 5.506 -2.540 1.00 0.00 N ATOM 1608 CA ILE A 102 7.423 4.995 -1.386 1.00 0.00 C ATOM 1609 C ILE A 102 6.694 6.143 -0.695 1.00 0.00 C ATOM 1610 O ILE A 102 7.258 7.222 -0.515 1.00 0.00 O ATOM 1611 CB ILE A 102 8.350 4.300 -0.364 1.00 0.00 C ATOM 1612 CG1 ILE A 102 9.607 5.135 -0.114 1.00 0.00 C ATOM 1613 CG2 ILE A 102 8.722 2.908 -0.846 1.00 0.00 C ATOM 1614 CD1 ILE A 102 10.504 4.567 0.965 1.00 0.00 C ATOM 0 H ILE A 102 9.137 5.728 -2.348 1.00 0.00 H new ATOM 0 HA ILE A 102 6.713 4.255 -1.755 1.00 0.00 H new ATOM 0 HB ILE A 102 7.811 4.208 0.579 1.00 0.00 H new ATOM 0 HG12 ILE A 102 10.173 5.212 -1.042 1.00 0.00 H new ATOM 0 HG13 ILE A 102 9.312 6.147 0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.375 2.432 -0.115 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.818 2.311 -0.967 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.240 2.980 -1.802 1.00 0.00 H new ATOM 0 HD11 ILE A 102 11.376 5.210 1.089 1.00 0.00 H new ATOM 0 HD12 ILE A 102 9.955 4.515 1.905 1.00 0.00 H new ATOM 0 HD13 ILE A 102 10.829 3.567 0.679 1.00 0.00 H new ATOM 1626 N MET A 103 5.432 5.926 -0.337 1.00 0.00 N ATOM 1627 CA MET A 103 4.650 6.981 0.296 1.00 0.00 C ATOM 1628 C MET A 103 3.803 6.467 1.463 1.00 0.00 C ATOM 1629 O MET A 103 3.659 5.262 1.660 1.00 0.00 O ATOM 1630 CB MET A 103 3.743 7.662 -0.745 1.00 0.00 C ATOM 1631 CG MET A 103 3.916 7.136 -2.162 1.00 0.00 C ATOM 1632 SD MET A 103 3.068 8.154 -3.385 1.00 0.00 S ATOM 1633 CE MET A 103 1.359 7.764 -3.023 1.00 0.00 C ATOM 0 H MET A 103 4.936 5.045 -0.472 1.00 0.00 H new ATOM 0 HA MET A 103 5.359 7.702 0.703 1.00 0.00 H new ATOM 0 HB2 MET A 103 2.703 7.531 -0.445 1.00 0.00 H new ATOM 0 HB3 MET A 103 3.944 8.733 -0.740 1.00 0.00 H new ATOM 0 HG2 MET A 103 4.978 7.093 -2.403 1.00 0.00 H new ATOM 0 HG3 MET A 103 3.536 6.116 -2.216 1.00 0.00 H new ATOM 0 HE1 MET A 103 0.707 8.444 -3.571 1.00 0.00 H new ATOM 0 HE2 MET A 103 1.148 6.738 -3.324 1.00 0.00 H new ATOM 0 HE3 MET A 103 1.180 7.873 -1.953 1.00 0.00 H new ATOM 1643 N ILE A 104 3.229 7.408 2.226 1.00 0.00 N ATOM 1644 CA ILE A 104 2.376 7.064 3.363 1.00 0.00 C ATOM 1645 C ILE A 104 0.931 7.513 3.110 1.00 0.00 C ATOM 1646 O ILE A 104 0.678 8.618 2.629 1.00 0.00 O ATOM 1647 CB ILE A 104 2.912 7.636 4.721 1.00 0.00 C ATOM 1648 CG1 ILE A 104 1.819 8.361 5.521 1.00 0.00 C ATOM 1649 CG2 ILE A 104 4.106 8.561 4.514 1.00 0.00 C ATOM 1650 CD1 ILE A 104 0.974 7.437 6.368 1.00 0.00 C ATOM 0 H ILE A 104 3.342 8.410 2.074 1.00 0.00 H new ATOM 0 HA ILE A 104 2.396 5.978 3.456 1.00 0.00 H new ATOM 0 HB ILE A 104 3.238 6.774 5.302 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.286 9.105 6.166 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.171 8.900 4.829 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.447 8.936 5.479 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.914 8.010 4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.812 9.399 3.882 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.224 8.019 6.904 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.478 6.708 5.727 1.00 0.00 H new ATOM 0 HD13 ILE A 104 1.610 6.917 7.084 1.00 0.00 H new ATOM 1662 N LEU A 105 -0.007 6.619 3.432 1.00 0.00 N ATOM 1663 CA LEU A 105 -1.436 6.871 3.240 1.00 0.00 C ATOM 1664 C LEU A 105 -1.998 7.830 4.282 1.00 0.00 C ATOM 1665 O LEU A 105 -1.707 7.713 5.473 1.00 0.00 O ATOM 1666 CB LEU A 105 -2.225 5.557 3.325 1.00 0.00 C ATOM 1667 CG LEU A 105 -2.325 4.740 2.036 1.00 0.00 C ATOM 1668 CD1 LEU A 105 -2.670 5.630 0.850 1.00 0.00 C ATOM 1669 CD2 LEU A 105 -1.034 3.973 1.793 1.00 0.00 C ATOM 0 H LEU A 105 0.202 5.704 3.831 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.542 7.323 2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.766 4.932 4.091 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.235 5.786 3.664 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.133 4.017 2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.735 5.023 -0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.628 6.119 1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.895 6.386 0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.121 3.397 0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.205 4.675 1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.850 3.297 2.628 1.00 0.00 H new ATOM 1681 N GLU A 106 -2.848 8.744 3.829 1.00 0.00 N ATOM 1682 CA GLU A 106 -3.502 9.688 4.722 1.00 0.00 C ATOM 1683 C GLU A 106 -4.843 9.101 5.155 1.00 0.00 C ATOM 1684 O GLU A 106 -5.868 9.348 4.522 1.00 0.00 O ATOM 1685 CB GLU A 106 -3.708 11.036 4.025 1.00 0.00 C ATOM 1686 CG GLU A 106 -2.900 12.166 4.643 1.00 0.00 C ATOM 1687 CD GLU A 106 -3.678 12.923 5.701 1.00 0.00 C ATOM 1688 OE1 GLU A 106 -4.894 13.132 5.508 1.00 0.00 O ATOM 1689 OE2 GLU A 106 -3.071 13.306 6.724 1.00 0.00 O ATOM 0 H GLU A 106 -3.100 8.850 2.846 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.874 9.859 5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.437 10.938 2.974 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.766 11.296 4.058 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.991 11.759 5.086 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -2.590 12.858 3.860 1.00 0.00 H new ATOM 1696 N ARG A 107 -4.803 8.288 6.216 1.00 0.00 N ATOM 1697 CA ARG A 107 -5.985 7.594 6.753 1.00 0.00 C ATOM 1698 C ARG A 107 -6.018 6.160 6.233 1.00 0.00 C ATOM 1699 O ARG A 107 -6.512 5.254 6.905 1.00 0.00 O ATOM 1700 CB ARG A 107 -7.299 8.312 6.408 1.00 0.00 C ATOM 1701 CG ARG A 107 -7.355 9.752 6.892 1.00 0.00 C ATOM 1702 CD ARG A 107 -8.679 10.409 6.533 1.00 0.00 C ATOM 1703 NE ARG A 107 -8.923 11.613 7.325 1.00 0.00 N ATOM 1704 CZ ARG A 107 -9.330 11.598 8.593 1.00 0.00 C ATOM 1705 NH1 ARG A 107 -9.553 10.446 9.212 1.00 0.00 N ATOM 1706 NH2 ARG A 107 -9.518 12.739 9.242 1.00 0.00 N ATOM 0 H ARG A 107 -3.946 8.090 6.732 1.00 0.00 H new ATOM 0 HA ARG A 107 -5.899 7.595 7.840 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -7.438 8.296 5.327 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -8.130 7.759 6.845 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -7.215 9.780 7.973 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.535 10.318 6.450 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -8.682 10.665 5.473 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -9.491 9.699 6.692 1.00 0.00 H new ATOM 0 HE ARG A 107 -8.773 12.518 6.880 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.413 9.565 8.717 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -9.865 10.441 10.183 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -9.351 13.628 8.770 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.830 12.728 10.213 1.00 0.00 H new ATOM 1720 N GLY A 108 -5.461 5.962 5.041 1.00 0.00 N ATOM 1721 CA GLY A 108 -5.404 4.638 4.449 1.00 0.00 C ATOM 1722 C GLY A 108 -6.763 4.005 4.236 1.00 0.00 C ATOM 1723 O GLY A 108 -7.445 4.290 3.252 1.00 0.00 O ATOM 0 H GLY A 108 -5.046 6.700 4.472 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -4.888 4.701 3.491 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -4.808 3.989 5.090 1.00 0.00 H new ATOM 1727 N PHE A 109 -7.149 3.122 5.154 1.00 0.00 N ATOM 1728 CA PHE A 109 -8.424 2.423 5.054 1.00 0.00 C ATOM 1729 C PHE A 109 -9.328 2.721 6.251 1.00 0.00 C ATOM 1730 O PHE A 109 -10.462 2.248 6.310 1.00 0.00 O ATOM 1731 CB PHE A 109 -8.185 0.915 4.946 1.00 0.00 C ATOM 1732 CG PHE A 109 -9.447 0.107 4.836 1.00 0.00 C ATOM 1733 CD1 PHE A 109 -10.123 0.015 3.629 1.00 0.00 C ATOM 1734 CD2 PHE A 109 -9.957 -0.559 5.938 1.00 0.00 C ATOM 1735 CE1 PHE A 109 -11.286 -0.727 3.525 1.00 0.00 C ATOM 1736 CE2 PHE A 109 -11.119 -1.302 5.840 1.00 0.00 C ATOM 1737 CZ PHE A 109 -11.783 -1.386 4.632 1.00 0.00 C ATOM 0 H PHE A 109 -6.596 2.875 5.975 1.00 0.00 H new ATOM 0 HA PHE A 109 -8.929 2.780 4.157 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -7.561 0.717 4.075 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -7.626 0.582 5.821 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -9.737 0.528 2.760 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -9.441 -0.497 6.885 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -11.804 -0.791 2.580 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -11.507 -1.816 6.707 1.00 0.00 H new ATOM 0 HZ PHE A 109 -12.690 -1.967 4.553 1.00 0.00 H new ATOM 1747 N ASN A 110 -8.825 3.504 7.203 1.00 0.00 N ATOM 1748 CA ASN A 110 -9.606 3.850 8.384 1.00 0.00 C ATOM 1749 C ASN A 110 -10.901 4.541 7.983 1.00 0.00 C ATOM 1750 O ASN A 110 -11.953 4.292 8.560 1.00 0.00 O ATOM 1751 CB ASN A 110 -8.795 4.749 9.317 1.00 0.00 C ATOM 1752 CG ASN A 110 -8.920 4.336 10.771 1.00 0.00 C ATOM 1753 OD1 ASN A 110 -9.205 5.160 11.639 1.00 0.00 O ATOM 1754 ND2 ASN A 110 -8.707 3.053 11.042 1.00 0.00 N ATOM 0 H ASN A 110 -7.888 3.907 7.179 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.852 2.930 8.914 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -7.746 4.721 9.023 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -9.130 5.780 9.205 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -8.778 2.716 12.002 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -8.473 2.405 10.290 1.00 0.00 H new ATOM 1761 N GLY A 111 -10.812 5.401 6.981 1.00 0.00 N ATOM 1762 CA GLY A 111 -11.973 6.104 6.497 1.00 0.00 C ATOM 1763 C GLY A 111 -12.962 5.173 5.837 1.00 0.00 C ATOM 1764 O GLY A 111 -14.166 5.348 5.972 1.00 0.00 O ATOM 0 H GLY A 111 -9.945 5.624 6.492 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -12.457 6.619 7.327 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -11.663 6.869 5.785 1.00 0.00 H new ATOM 1768 N TRP A 112 -12.448 4.180 5.111 1.00 0.00 N ATOM 1769 CA TRP A 112 -13.307 3.224 4.421 1.00 0.00 C ATOM 1770 C TRP A 112 -14.081 2.361 5.408 1.00 0.00 C ATOM 1771 O TRP A 112 -15.305 2.260 5.327 1.00 0.00 O ATOM 1772 CB TRP A 112 -12.473 2.333 3.500 1.00 0.00 C ATOM 1773 CG TRP A 112 -13.306 1.459 2.616 1.00 0.00 C ATOM 1774 CD1 TRP A 112 -14.296 0.607 3.010 1.00 0.00 C ATOM 1775 CD2 TRP A 112 -13.226 1.352 1.188 1.00 0.00 C ATOM 1776 NE1 TRP A 112 -14.840 -0.018 1.920 1.00 0.00 N ATOM 1777 CE2 TRP A 112 -14.201 0.419 0.789 1.00 0.00 C ATOM 1778 CE3 TRP A 112 -12.427 1.955 0.212 1.00 0.00 C ATOM 1779 CZ2 TRP A 112 -14.398 0.075 -0.547 1.00 0.00 C ATOM 1780 CZ3 TRP A 112 -12.624 1.612 -1.114 1.00 0.00 C ATOM 1781 CH2 TRP A 112 -13.603 0.680 -1.482 1.00 0.00 C ATOM 0 H TRP A 112 -11.448 4.019 4.987 1.00 0.00 H new ATOM 0 HA TRP A 112 -14.024 3.790 3.827 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -11.832 2.960 2.881 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -11.817 1.707 4.106 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -14.605 0.449 4.033 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -15.599 -0.699 1.946 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -11.670 2.675 0.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -15.151 -0.644 -0.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -12.013 2.070 -1.878 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -13.733 0.434 -2.526 1.00 0.00 H new ATOM 1792 N GLU A 113 -13.372 1.746 6.348 1.00 0.00 N ATOM 1793 CA GLU A 113 -14.019 0.907 7.347 1.00 0.00 C ATOM 1794 C GLU A 113 -14.881 1.761 8.275 1.00 0.00 C ATOM 1795 O GLU A 113 -16.054 1.470 8.508 1.00 0.00 O ATOM 1796 CB GLU A 113 -12.975 0.142 8.163 1.00 0.00 C ATOM 1797 CG GLU A 113 -13.366 -1.299 8.448 1.00 0.00 C ATOM 1798 CD GLU A 113 -12.474 -1.949 9.487 1.00 0.00 C ATOM 1799 OE1 GLU A 113 -12.006 -1.235 10.399 1.00 0.00 O ATOM 1800 OE2 GLU A 113 -12.243 -3.172 9.390 1.00 0.00 O ATOM 0 H GLU A 113 -12.358 1.812 6.438 1.00 0.00 H new ATOM 0 HA GLU A 113 -14.656 0.188 6.832 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -12.026 0.154 7.627 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.813 0.660 9.108 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.400 -1.330 8.791 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -13.320 -1.874 7.523 1.00 0.00 H new ATOM 1807 N ALA A 114 -14.268 2.819 8.803 1.00 0.00 N ATOM 1808 CA ALA A 114 -14.935 3.744 9.714 1.00 0.00 C ATOM 1809 C ALA A 114 -16.046 4.524 9.019 1.00 0.00 C ATOM 1810 O ALA A 114 -17.039 4.886 9.650 1.00 0.00 O ATOM 1811 CB ALA A 114 -13.923 4.699 10.331 1.00 0.00 C ATOM 0 H ALA A 114 -13.295 3.058 8.611 1.00 0.00 H new ATOM 0 HA ALA A 114 -15.396 3.152 10.505 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.434 5.383 11.008 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -13.177 4.130 10.885 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.432 5.269 9.542 1.00 0.00 H new ATOM 1817 N SER A 115 -15.867 4.791 7.719 1.00 0.00 N ATOM 1818 CA SER A 115 -16.858 5.540 6.923 1.00 0.00 C ATOM 1819 C SER A 115 -18.290 5.241 7.354 1.00 0.00 C ATOM 1820 O SER A 115 -19.179 6.082 7.225 1.00 0.00 O ATOM 1821 CB SER A 115 -16.700 5.220 5.431 1.00 0.00 C ATOM 1822 OG SER A 115 -17.941 5.295 4.749 1.00 0.00 O ATOM 0 H SER A 115 -15.044 4.500 7.191 1.00 0.00 H new ATOM 0 HA SER A 115 -16.667 6.599 7.098 1.00 0.00 H new ATOM 0 HB2 SER A 115 -15.994 5.918 4.981 1.00 0.00 H new ATOM 0 HB3 SER A 115 -16.279 4.221 5.315 1.00 0.00 H new ATOM 0 HG SER A 115 -17.806 5.088 3.801 1.00 0.00 H new ATOM 1828 N GLY A 116 -18.503 4.035 7.845 1.00 0.00 N ATOM 1829 CA GLY A 116 -19.824 3.624 8.266 1.00 0.00 C ATOM 1830 C GLY A 116 -20.258 2.393 7.515 1.00 0.00 C ATOM 1831 O GLY A 116 -21.060 1.597 8.002 1.00 0.00 O ATOM 0 H GLY A 116 -17.779 3.326 7.961 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -19.824 3.423 9.337 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -20.535 4.432 8.093 1.00 0.00 H new ATOM 1835 N LYS A 117 -19.695 2.231 6.323 1.00 0.00 N ATOM 1836 CA LYS A 117 -19.991 1.077 5.489 1.00 0.00 C ATOM 1837 C LYS A 117 -18.789 0.136 5.467 1.00 0.00 C ATOM 1838 O LYS A 117 -17.703 0.525 5.036 1.00 0.00 O ATOM 1839 CB LYS A 117 -20.353 1.516 4.065 1.00 0.00 C ATOM 1840 CG LYS A 117 -19.168 2.006 3.245 1.00 0.00 C ATOM 1841 CD LYS A 117 -19.609 2.537 1.890 1.00 0.00 C ATOM 1842 CE LYS A 117 -18.500 2.417 0.856 1.00 0.00 C ATOM 1843 NZ LYS A 117 -19.013 2.566 -0.534 1.00 0.00 N ATOM 0 H LYS A 117 -19.030 2.887 5.914 1.00 0.00 H new ATOM 0 HA LYS A 117 -20.848 0.551 5.909 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -20.819 0.679 3.546 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -21.097 2.311 4.119 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -18.645 2.791 3.792 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -18.459 1.190 3.104 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -20.486 1.986 1.550 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -19.906 3.581 1.987 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -17.743 3.178 1.046 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -18.011 1.448 0.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -18.225 2.478 -1.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -19.716 1.824 -0.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -19.457 3.500 -0.642 1.00 0.00 H new ATOM 1857 N PRO A 118 -18.953 -1.110 5.945 1.00 0.00 N ATOM 1858 CA PRO A 118 -17.860 -2.085 5.977 1.00 0.00 C ATOM 1859 C PRO A 118 -17.154 -2.210 4.633 1.00 0.00 C ATOM 1860 O PRO A 118 -17.397 -1.428 3.713 1.00 0.00 O ATOM 1861 CB PRO A 118 -18.564 -3.395 6.335 1.00 0.00 C ATOM 1862 CG PRO A 118 -19.776 -2.977 7.093 1.00 0.00 C ATOM 1863 CD PRO A 118 -20.206 -1.663 6.497 1.00 0.00 C ATOM 0 HA PRO A 118 -17.079 -1.798 6.681 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -18.831 -3.959 5.441 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -17.922 -4.038 6.937 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -20.567 -3.722 7.006 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -19.554 -2.870 8.155 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -20.960 -1.801 5.722 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -20.639 -1.003 7.249 1.00 0.00 H new ATOM 1871 N VAL A 119 -16.286 -3.203 4.520 1.00 0.00 N ATOM 1872 CA VAL A 119 -15.554 -3.431 3.280 1.00 0.00 C ATOM 1873 C VAL A 119 -16.324 -4.405 2.395 1.00 0.00 C ATOM 1874 O VAL A 119 -17.013 -5.294 2.896 1.00 0.00 O ATOM 1875 CB VAL A 119 -14.103 -3.939 3.534 1.00 0.00 C ATOM 1876 CG1 VAL A 119 -13.837 -4.154 5.019 1.00 0.00 C ATOM 1877 CG2 VAL A 119 -13.803 -5.213 2.751 1.00 0.00 C ATOM 0 H VAL A 119 -16.070 -3.863 5.268 1.00 0.00 H new ATOM 0 HA VAL A 119 -15.464 -2.473 2.767 1.00 0.00 H new ATOM 0 HB VAL A 119 -13.431 -3.159 3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -12.816 -4.508 5.158 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -13.971 -3.213 5.553 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -14.534 -4.895 5.410 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -12.782 -5.534 2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -14.497 -5.997 3.052 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -13.915 -5.019 1.684 1.00 0.00 H new ATOM 1887 N CYS A 120 -16.217 -4.229 1.082 1.00 0.00 N ATOM 1888 CA CYS A 120 -16.921 -5.092 0.145 1.00 0.00 C ATOM 1889 C CYS A 120 -18.435 -5.030 0.360 1.00 0.00 C ATOM 1890 O CYS A 120 -18.946 -5.474 1.388 1.00 0.00 O ATOM 1891 CB CYS A 120 -16.441 -6.534 0.292 1.00 0.00 C ATOM 1892 SG CYS A 120 -17.462 -7.747 -0.576 1.00 0.00 S ATOM 0 H CYS A 120 -15.652 -3.500 0.646 1.00 0.00 H new ATOM 0 HA CYS A 120 -16.702 -4.736 -0.862 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -15.419 -6.604 -0.079 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -16.414 -6.790 1.351 1.00 0.00 H new ATOM 1897 N ARG A 121 -19.144 -4.502 -0.630 1.00 0.00 N ATOM 1898 CA ARG A 121 -20.600 -4.407 -0.569 1.00 0.00 C ATOM 1899 C ARG A 121 -21.235 -5.359 -1.585 1.00 0.00 C ATOM 1900 O ARG A 121 -22.382 -5.778 -1.432 1.00 0.00 O ATOM 1901 CB ARG A 121 -21.055 -2.972 -0.840 1.00 0.00 C ATOM 1902 CG ARG A 121 -20.873 -2.047 0.349 1.00 0.00 C ATOM 1903 CD ARG A 121 -22.152 -1.929 1.164 1.00 0.00 C ATOM 1904 NE ARG A 121 -22.921 -0.738 0.807 1.00 0.00 N ATOM 1905 CZ ARG A 121 -24.228 -0.603 1.024 1.00 0.00 C ATOM 1906 NH1 ARG A 121 -24.918 -1.580 1.600 1.00 0.00 N ATOM 1907 NH2 ARG A 121 -24.846 0.514 0.665 1.00 0.00 N ATOM 0 H ARG A 121 -18.734 -4.132 -1.488 1.00 0.00 H new ATOM 0 HA ARG A 121 -20.923 -4.692 0.432 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -20.496 -2.576 -1.688 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -22.107 -2.980 -1.127 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -20.069 -2.422 0.983 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -20.570 -1.060 0.000 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -22.765 -2.817 1.007 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -21.904 -1.896 2.225 1.00 0.00 H new ATOM 0 HE ARG A 121 -22.426 0.037 0.365 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -24.447 -2.441 1.879 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -25.919 -1.470 1.763 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -24.320 1.268 0.223 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -25.847 0.619 0.831 1.00 0.00 H new ATOM 1921 N CYS A 122 -20.467 -5.689 -2.618 1.00 0.00 N ATOM 1922 CA CYS A 122 -20.915 -6.586 -3.676 1.00 0.00 C ATOM 1923 C CYS A 122 -22.020 -5.967 -4.508 1.00 0.00 C ATOM 1924 O CYS A 122 -22.322 -4.781 -4.375 1.00 0.00 O ATOM 1925 CB CYS A 122 -21.347 -7.935 -3.118 1.00 0.00 C ATOM 1926 SG CYS A 122 -19.991 -8.852 -2.350 1.00 0.00 S ATOM 0 H CYS A 122 -19.516 -5.342 -2.745 1.00 0.00 H new ATOM 0 HA CYS A 122 -20.062 -6.753 -4.333 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -22.136 -7.781 -2.382 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -21.773 -8.534 -3.922 1.00 0.00 H new ATOM 1931 N ALA A 123 -22.565 -6.781 -5.409 1.00 0.00 N ATOM 1932 CA ALA A 123 -23.588 -6.382 -6.356 1.00 0.00 C ATOM 1933 C ALA A 123 -23.006 -6.579 -7.742 1.00 0.00 C ATOM 1934 O ALA A 123 -23.637 -6.279 -8.757 1.00 0.00 O ATOM 1935 CB ALA A 123 -24.033 -4.945 -6.155 1.00 0.00 C ATOM 0 H ALA A 123 -22.296 -7.761 -5.498 1.00 0.00 H new ATOM 0 HA ALA A 123 -24.481 -6.990 -6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -24.800 -4.695 -6.889 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -24.440 -4.827 -5.151 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -23.180 -4.279 -6.281 1.00 0.00 H new ATOM 1941 N GLU A 124 -21.770 -7.105 -7.753 1.00 0.00 N ATOM 1942 CA GLU A 124 -21.038 -7.385 -8.966 1.00 0.00 C ATOM 1943 C GLU A 124 -20.299 -6.142 -9.450 1.00 0.00 C ATOM 1944 O GLU A 124 -20.159 -5.178 -8.704 1.00 0.00 O ATOM 1945 CB GLU A 124 -21.970 -7.931 -10.037 1.00 0.00 C ATOM 1946 CG GLU A 124 -23.050 -8.863 -9.506 1.00 0.00 C ATOM 1947 CD GLU A 124 -23.045 -10.215 -10.193 1.00 0.00 C ATOM 1948 OE1 GLU A 124 -23.704 -10.349 -11.245 1.00 0.00 O ATOM 1949 OE2 GLU A 124 -22.381 -11.140 -9.679 1.00 0.00 O ATOM 0 H GLU A 124 -21.259 -7.345 -6.903 1.00 0.00 H new ATOM 0 HA GLU A 124 -20.291 -8.150 -8.752 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -22.446 -7.095 -10.549 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -21.378 -8.465 -10.781 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -22.908 -9.004 -8.434 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -24.026 -8.396 -9.640 1.00 0.00 H new ATOM 1956 N VAL A 125 -19.819 -6.195 -10.695 1.00 0.00 N ATOM 1957 CA VAL A 125 -19.067 -5.100 -11.330 1.00 0.00 C ATOM 1958 C VAL A 125 -18.588 -4.014 -10.343 1.00 0.00 C ATOM 1959 O VAL A 125 -17.398 -3.945 -10.035 1.00 0.00 O ATOM 1960 CB VAL A 125 -19.877 -4.460 -12.486 1.00 0.00 C ATOM 1961 CG1 VAL A 125 -19.253 -3.144 -12.936 1.00 0.00 C ATOM 1962 CG2 VAL A 125 -19.980 -5.429 -13.655 1.00 0.00 C ATOM 0 H VAL A 125 -19.941 -7.007 -11.301 1.00 0.00 H new ATOM 0 HA VAL A 125 -18.167 -5.564 -11.734 1.00 0.00 H new ATOM 0 HB VAL A 125 -20.880 -4.244 -12.118 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -19.844 -2.720 -13.748 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -19.232 -2.446 -12.099 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -18.236 -3.324 -13.283 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -20.551 -4.968 -14.461 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -18.980 -5.674 -14.013 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -20.482 -6.340 -13.329 1.00 0.00 H new ATOM 1972 N PRO A 126 -19.489 -3.136 -9.849 1.00 0.00 N ATOM 1973 CA PRO A 126 -19.118 -2.053 -8.921 1.00 0.00 C ATOM 1974 C PRO A 126 -18.379 -2.522 -7.664 1.00 0.00 C ATOM 1975 O PRO A 126 -17.779 -1.706 -6.963 1.00 0.00 O ATOM 1976 CB PRO A 126 -20.465 -1.420 -8.535 1.00 0.00 C ATOM 1977 CG PRO A 126 -21.502 -2.401 -8.967 1.00 0.00 C ATOM 1978 CD PRO A 126 -20.927 -3.102 -10.159 1.00 0.00 C ATOM 0 HA PRO A 126 -18.417 -1.370 -9.401 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -20.520 -1.237 -7.462 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -20.603 -0.459 -9.030 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -21.728 -3.108 -8.169 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -22.435 -1.898 -9.221 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -21.340 -4.104 -10.278 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -21.130 -2.562 -11.084 1.00 0.00 H new ATOM 1986 N CYS A 127 -18.427 -3.818 -7.361 1.00 0.00 N ATOM 1987 CA CYS A 127 -17.757 -4.330 -6.164 1.00 0.00 C ATOM 1988 C CYS A 127 -16.278 -4.593 -6.406 1.00 0.00 C ATOM 1989 O CYS A 127 -15.905 -5.396 -7.262 1.00 0.00 O ATOM 1990 CB CYS A 127 -18.424 -5.618 -5.657 1.00 0.00 C ATOM 1991 SG CYS A 127 -17.641 -6.339 -4.186 1.00 0.00 S ATOM 0 H CYS A 127 -18.913 -4.523 -7.915 1.00 0.00 H new ATOM 0 HA CYS A 127 -17.851 -3.553 -5.405 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -19.469 -5.407 -5.431 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -18.414 -6.357 -6.458 1.00 0.00 H new ATOM 1996 N LYS A 128 -15.445 -3.941 -5.602 1.00 0.00 N ATOM 1997 CA LYS A 128 -13.998 -4.123 -5.660 1.00 0.00 C ATOM 1998 C LYS A 128 -13.329 -3.435 -6.841 1.00 0.00 C ATOM 1999 O LYS A 128 -13.713 -3.634 -7.994 1.00 0.00 O ATOM 2000 CB LYS A 128 -13.654 -5.626 -5.709 1.00 0.00 C ATOM 2001 CG LYS A 128 -12.849 -6.051 -6.932 1.00 0.00 C ATOM 2002 CD LYS A 128 -12.537 -7.535 -6.901 1.00 0.00 C ATOM 2003 CE LYS A 128 -13.786 -8.377 -7.121 1.00 0.00 C ATOM 2004 NZ LYS A 128 -14.378 -8.161 -8.471 1.00 0.00 N ATOM 0 H LYS A 128 -15.752 -3.274 -4.894 1.00 0.00 H new ATOM 0 HA LYS A 128 -13.611 -3.655 -4.755 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -13.093 -5.887 -4.812 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -14.581 -6.199 -5.683 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -13.408 -5.814 -7.837 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -11.920 -5.483 -6.973 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -11.801 -7.768 -7.670 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -12.089 -7.793 -5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -13.538 -9.431 -6.999 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -14.526 -8.133 -6.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -15.033 -8.938 -8.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -14.895 -7.258 -8.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -13.620 -8.135 -9.182 1.00 0.00 H new ATOM 2018 N GLY A 129 -12.247 -2.719 -6.546 1.00 0.00 N ATOM 2019 CA GLY A 129 -11.456 -2.125 -7.594 1.00 0.00 C ATOM 2020 C GLY A 129 -10.594 -3.224 -8.154 1.00 0.00 C ATOM 2021 O GLY A 129 -10.649 -3.567 -9.335 1.00 0.00 O ATOM 0 H GLY A 129 -11.910 -2.543 -5.600 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -12.095 -1.700 -8.368 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -10.843 -1.312 -7.204 1.00 0.00 H new ATOM 2025 N ASP A 130 -9.861 -3.821 -7.229 1.00 0.00 N ATOM 2026 CA ASP A 130 -9.013 -4.971 -7.489 1.00 0.00 C ATOM 2027 C ASP A 130 -9.072 -5.925 -6.284 1.00 0.00 C ATOM 2028 O ASP A 130 -8.691 -5.559 -5.174 1.00 0.00 O ATOM 2029 CB ASP A 130 -7.571 -4.534 -7.753 1.00 0.00 C ATOM 2030 CG ASP A 130 -6.852 -5.464 -8.711 1.00 0.00 C ATOM 2031 OD1 ASP A 130 -7.341 -6.595 -8.920 1.00 0.00 O ATOM 2032 OD2 ASP A 130 -5.801 -5.062 -9.253 1.00 0.00 O ATOM 0 H ASP A 130 -9.839 -3.513 -6.257 1.00 0.00 H new ATOM 0 HA ASP A 130 -9.374 -5.486 -8.379 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -7.569 -3.524 -8.162 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -7.027 -4.497 -6.809 1.00 0.00 H new ATOM 2037 N CYS A 131 -9.557 -7.143 -6.510 1.00 0.00 N ATOM 2038 CA CYS A 131 -9.663 -8.137 -5.440 1.00 0.00 C ATOM 2039 C CYS A 131 -8.312 -8.358 -4.767 1.00 0.00 C ATOM 2040 O CYS A 131 -8.187 -8.239 -3.548 1.00 0.00 O ATOM 2041 CB CYS A 131 -10.193 -9.475 -5.975 1.00 0.00 C ATOM 2042 SG CYS A 131 -9.594 -9.924 -7.623 1.00 0.00 S ATOM 0 H CYS A 131 -9.883 -7.467 -7.421 1.00 0.00 H new ATOM 0 HA CYS A 131 -10.368 -7.748 -4.706 1.00 0.00 H new ATOM 0 HB2 CYS A 131 -9.917 -10.265 -5.276 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -11.282 -9.435 -5.998 1.00 0.00 H new ATOM 0 HG CYS A 131 -10.102 -11.069 -7.972 1.00 0.00 H new ATOM 2048 N ALA A 132 -7.305 -8.684 -5.570 1.00 0.00 N ATOM 2049 CA ALA A 132 -5.964 -8.925 -5.052 1.00 0.00 C ATOM 2050 C ALA A 132 -4.966 -9.125 -6.187 1.00 0.00 C ATOM 2051 O ALA A 132 -3.750 -9.003 -5.931 1.00 0.00 O ATOM 2052 CB ALA A 132 -5.970 -10.134 -4.128 1.00 0.00 C ATOM 2053 OXT ALA A 132 -5.409 -9.402 -7.322 1.00 0.00 O ATOM 0 H ALA A 132 -7.392 -8.787 -6.581 1.00 0.00 H new ATOM 0 HA ALA A 132 -5.653 -8.048 -4.484 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -4.963 -10.305 -3.747 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -6.648 -9.951 -3.294 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -6.303 -11.013 -4.681 1.00 0.00 H new TER 2059 ALA A 132 HETATM 2060 ZN ZN A 201 -17.832 -7.805 -2.764 1.00 0.00 ZN