USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 863 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 11 MET CE :methyl 178:sc= -0.736 (180deg=-0.61) USER MOD Set 1.2: A 40 ASN : amide:sc= -0.173 X(o=-0.91,f=-1.2) USER MOD Set 1.3: A 42 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 6 MET CE :methyl 166:sc= -0.127 (180deg=0) USER MOD Set 2.2: A 20 CYS SG : rot 180:sc= -0.133 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.141 (180deg=-0.544) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 CYS SG : rot -34:sc= 0.302 USER MOD Single : A 7 TYR OH : rot 143:sc= 1.86 USER MOD Single : A 8 ASN : amide:sc= -0.0192 K(o=-0.019,f=-2.1) USER MOD Single : A 10 SER OG : rot 170:sc= -0.0948 USER MOD Single : A 14 SER OG : rot -15:sc= 0.746 USER MOD Single : A 15 HIS : no HD1:sc= -0.0936 X(o=-0.094,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 175:sc= 0 (180deg=-0.077) USER MOD Single : A 29 SER OG : rot -61:sc= 1.04 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -113:sc= -1.74 (180deg=-6.24!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 55:sc= 0.428 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.49 K(o=-1.5,f=-8.2!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -121:sc= -5.14 (180deg=-8.86!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 159:sc= 2.02 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0623 X(o=-0.062,f=0) USER MOD Single : A 88 MET CE :methyl 156:sc= -0.906 (180deg=-2.29!) USER MOD Single : A 89 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.116) USER MOD Single : A 90 LYS NZ :NH3+ -127:sc= -0.417 (180deg=-2.11!) USER MOD Single : A 93 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0352) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 102 LYS NZ :NH3+ -140:sc= 0.117 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -112:sc= -0.72 (180deg=-0.935) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -165:sc= -0.0269 (180deg=-0.396) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.739 0.220 -0.415 1.00 0.00 N ATOM 2 CA MET A 1 2.343 0.066 -1.734 1.00 0.00 C ATOM 3 C MET A 1 1.326 0.352 -2.834 1.00 0.00 C ATOM 4 O MET A 1 1.435 -0.166 -3.946 1.00 0.00 O ATOM 5 CB MET A 1 2.906 -1.347 -1.898 1.00 0.00 C ATOM 6 CG MET A 1 1.946 -2.439 -1.455 1.00 0.00 C ATOM 7 SD MET A 1 2.597 -4.096 -1.743 1.00 0.00 S ATOM 8 CE MET A 1 1.080 -5.040 -1.865 1.00 0.00 C ATOM 0 H1 MET A 1 2.370 -0.186 0.305 1.00 0.00 H new ATOM 0 H2 MET A 1 1.592 1.230 -0.216 1.00 0.00 H new ATOM 0 H3 MET A 1 0.824 -0.274 -0.392 1.00 0.00 H new ATOM 0 HA MET A 1 3.157 0.786 -1.820 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.167 -1.506 -2.944 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.829 -1.431 -1.324 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.729 -2.318 -0.394 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.002 -2.326 -1.988 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.317 -6.089 -2.043 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.519 -4.948 -0.935 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.479 -4.658 -2.691 1.00 0.00 H new ATOM 18 N THR A 2 0.335 1.180 -2.517 1.00 0.00 N ATOM 19 CA THR A 2 -0.702 1.534 -3.477 1.00 0.00 C ATOM 20 C THR A 2 -0.433 2.899 -4.100 1.00 0.00 C ATOM 21 O THR A 2 -0.321 3.903 -3.396 1.00 0.00 O ATOM 22 CB THR A 2 -2.095 1.548 -2.820 1.00 0.00 C ATOM 23 OG1 THR A 2 -2.274 0.371 -2.025 1.00 0.00 O ATOM 24 CG2 THR A 2 -3.190 1.626 -3.874 1.00 0.00 C ATOM 0 H THR A 2 0.229 1.618 -1.602 1.00 0.00 H new ATOM 0 HA THR A 2 -0.683 0.772 -4.256 1.00 0.00 H new ATOM 0 HB THR A 2 -2.163 2.430 -2.183 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.161 0.389 -1.610 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.165 1.635 -3.386 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.069 2.538 -4.458 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.122 0.761 -4.534 1.00 0.00 H new ATOM 32 N LEU A 3 -0.329 2.930 -5.424 1.00 0.00 N ATOM 33 CA LEU A 3 -0.073 4.173 -6.143 1.00 0.00 C ATOM 34 C LEU A 3 -1.344 4.686 -6.813 1.00 0.00 C ATOM 35 O LEU A 3 -1.823 4.103 -7.786 1.00 0.00 O ATOM 36 CB LEU A 3 1.021 3.963 -7.191 1.00 0.00 C ATOM 37 CG LEU A 3 2.438 4.351 -6.769 1.00 0.00 C ATOM 38 CD1 LEU A 3 2.804 3.684 -5.452 1.00 0.00 C ATOM 39 CD2 LEU A 3 3.439 3.978 -7.853 1.00 0.00 C ATOM 0 H LEU A 3 -0.418 2.108 -6.022 1.00 0.00 H new ATOM 0 HA LEU A 3 0.262 4.919 -5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.024 2.912 -7.478 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.759 4.536 -8.081 1.00 0.00 H new ATOM 0 HG LEU A 3 2.471 5.431 -6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.816 3.972 -5.167 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.105 4.000 -4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.753 2.601 -5.566 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.442 4.262 -7.535 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.404 2.902 -8.026 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.189 4.502 -8.775 1.00 0.00 H new ATOM 51 N CYS A 4 -1.882 5.781 -6.288 1.00 0.00 N ATOM 52 CA CYS A 4 -3.096 6.375 -6.837 1.00 0.00 C ATOM 53 C CYS A 4 -2.782 7.668 -7.581 1.00 0.00 C ATOM 54 O CYS A 4 -1.769 8.316 -7.319 1.00 0.00 O ATOM 55 CB CYS A 4 -4.105 6.647 -5.720 1.00 0.00 C ATOM 56 SG CYS A 4 -3.606 7.958 -4.579 1.00 0.00 S ATOM 0 H CYS A 4 -1.497 6.276 -5.483 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.529 5.667 -7.544 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -5.063 6.914 -6.167 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -4.262 5.728 -5.155 1.00 0.00 H new ATOM 0 HG CYS A 4 -2.314 7.937 -4.433 1.00 0.00 H new ATOM 62 N ALA A 5 -3.655 8.036 -8.512 1.00 0.00 N ATOM 63 CA ALA A 5 -3.471 9.252 -9.294 1.00 0.00 C ATOM 64 C ALA A 5 -4.679 10.175 -9.169 1.00 0.00 C ATOM 65 O ALA A 5 -5.807 9.715 -8.993 1.00 0.00 O ATOM 66 CB ALA A 5 -3.218 8.907 -10.755 1.00 0.00 C ATOM 0 H ALA A 5 -4.497 7.509 -8.743 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.602 9.779 -8.900 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.082 9.825 -11.327 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.320 8.294 -10.834 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.070 8.355 -11.151 1.00 0.00 H new ATOM 72 N MET A 6 -4.434 11.478 -9.259 1.00 0.00 N ATOM 73 CA MET A 6 -5.503 12.464 -9.156 1.00 0.00 C ATOM 74 C MET A 6 -5.792 13.097 -10.513 1.00 0.00 C ATOM 75 O MET A 6 -4.980 13.857 -11.041 1.00 0.00 O ATOM 76 CB MET A 6 -5.129 13.549 -8.144 1.00 0.00 C ATOM 77 CG MET A 6 -5.032 13.040 -6.715 1.00 0.00 C ATOM 78 SD MET A 6 -6.647 12.828 -5.942 1.00 0.00 S ATOM 79 CE MET A 6 -6.340 11.403 -4.901 1.00 0.00 C ATOM 0 H MET A 6 -3.506 11.875 -9.403 1.00 0.00 H new ATOM 0 HA MET A 6 -6.403 11.953 -8.814 1.00 0.00 H new ATOM 0 HB2 MET A 6 -4.173 13.987 -8.430 1.00 0.00 H new ATOM 0 HB3 MET A 6 -5.871 14.346 -8.187 1.00 0.00 H new ATOM 0 HG2 MET A 6 -4.502 12.087 -6.708 1.00 0.00 H new ATOM 0 HG3 MET A 6 -4.440 13.739 -6.124 1.00 0.00 H new ATOM 0 HE1 MET A 6 -7.151 11.297 -4.180 1.00 0.00 H new ATOM 0 HE2 MET A 6 -6.284 10.507 -5.519 1.00 0.00 H new ATOM 0 HE3 MET A 6 -5.398 11.537 -4.370 1.00 0.00 H new ATOM 89 N TYR A 7 -6.954 12.778 -11.074 1.00 0.00 N ATOM 90 CA TYR A 7 -7.348 13.313 -12.372 1.00 0.00 C ATOM 91 C TYR A 7 -8.404 14.403 -12.214 1.00 0.00 C ATOM 92 O TYR A 7 -9.565 14.120 -11.920 1.00 0.00 O ATOM 93 CB TYR A 7 -7.884 12.195 -13.267 1.00 0.00 C ATOM 94 CG TYR A 7 -7.615 12.415 -14.738 1.00 0.00 C ATOM 95 CD1 TYR A 7 -8.118 13.530 -15.397 1.00 0.00 C ATOM 96 CD2 TYR A 7 -6.858 11.508 -15.470 1.00 0.00 C ATOM 97 CE1 TYR A 7 -7.876 13.735 -16.742 1.00 0.00 C ATOM 98 CE2 TYR A 7 -6.609 11.706 -16.814 1.00 0.00 C ATOM 99 CZ TYR A 7 -7.120 12.821 -17.446 1.00 0.00 C ATOM 100 OH TYR A 7 -6.876 13.021 -18.785 1.00 0.00 O ATOM 0 H TYR A 7 -7.639 12.152 -10.650 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.466 13.751 -12.839 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.435 11.250 -12.962 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -8.959 12.102 -13.113 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -8.708 14.249 -14.849 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.458 10.633 -14.979 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.277 14.606 -17.239 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.017 10.992 -17.367 1.00 0.00 H new ATOM 0 HH TYR A 7 -5.964 12.732 -18.998 1.00 0.00 H new ATOM 110 N ASN A 8 -7.992 15.651 -12.411 1.00 0.00 N ATOM 111 CA ASN A 8 -8.901 16.785 -12.291 1.00 0.00 C ATOM 112 C ASN A 8 -9.542 17.113 -13.636 1.00 0.00 C ATOM 113 O ASN A 8 -8.851 17.434 -14.602 1.00 0.00 O ATOM 114 CB ASN A 8 -8.155 18.009 -11.757 1.00 0.00 C ATOM 115 CG ASN A 8 -9.068 18.961 -11.008 1.00 0.00 C ATOM 116 OD1 ASN A 8 -10.291 18.841 -11.067 1.00 0.00 O ATOM 117 ND2 ASN A 8 -8.474 19.913 -10.297 1.00 0.00 N ATOM 0 H ASN A 8 -7.034 15.903 -12.655 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.690 16.514 -11.589 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.353 17.682 -11.095 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.687 18.537 -12.588 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -9.036 20.582 -9.771 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.456 19.975 -10.277 1.00 0.00 H new ATOM 124 N ILE A 9 -10.867 17.030 -13.689 1.00 0.00 N ATOM 125 CA ILE A 9 -11.601 17.319 -14.915 1.00 0.00 C ATOM 126 C ILE A 9 -12.671 18.379 -14.677 1.00 0.00 C ATOM 127 O ILE A 9 -13.540 18.218 -13.820 1.00 0.00 O ATOM 128 CB ILE A 9 -12.267 16.053 -15.485 1.00 0.00 C ATOM 129 CG1 ILE A 9 -13.052 16.390 -16.754 1.00 0.00 C ATOM 130 CG2 ILE A 9 -13.179 15.420 -14.444 1.00 0.00 C ATOM 131 CD1 ILE A 9 -13.661 15.180 -17.428 1.00 0.00 C ATOM 0 H ILE A 9 -11.454 16.765 -12.898 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.875 17.693 -15.637 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.488 15.335 -15.742 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.846 17.094 -16.504 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -12.389 16.893 -17.458 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.643 14.526 -14.862 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.594 15.149 -13.565 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.954 16.131 -14.159 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -14.202 15.495 -18.320 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.871 14.484 -17.709 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.349 14.689 -16.740 1.00 0.00 H new ATOM 143 N SER A 10 -12.603 19.464 -15.443 1.00 0.00 N ATOM 144 CA SER A 10 -13.564 20.552 -15.314 1.00 0.00 C ATOM 145 C SER A 10 -14.064 21.001 -16.684 1.00 0.00 C ATOM 146 O SER A 10 -13.408 21.784 -17.370 1.00 0.00 O ATOM 147 CB SER A 10 -12.933 21.735 -14.577 1.00 0.00 C ATOM 148 OG SER A 10 -11.992 21.292 -13.614 1.00 0.00 O ATOM 0 H SER A 10 -11.892 19.612 -16.159 1.00 0.00 H new ATOM 0 HA SER A 10 -14.414 20.186 -14.738 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.442 22.394 -15.293 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.712 22.320 -14.087 1.00 0.00 H new ATOM 0 HG SER A 10 -11.488 22.060 -13.272 1.00 0.00 H new ATOM 154 N MET A 11 -15.230 20.497 -17.076 1.00 0.00 N ATOM 155 CA MET A 11 -15.819 20.846 -18.363 1.00 0.00 C ATOM 156 C MET A 11 -15.945 22.359 -18.511 1.00 0.00 C ATOM 157 O MET A 11 -15.677 23.109 -17.572 1.00 0.00 O ATOM 158 CB MET A 11 -17.193 20.191 -18.514 1.00 0.00 C ATOM 159 CG MET A 11 -17.550 19.853 -19.952 1.00 0.00 C ATOM 160 SD MET A 11 -18.709 18.477 -20.075 1.00 0.00 S ATOM 161 CE MET A 11 -19.956 19.180 -21.152 1.00 0.00 C ATOM 0 H MET A 11 -15.785 19.846 -16.521 1.00 0.00 H new ATOM 0 HA MET A 11 -15.160 20.476 -19.148 1.00 0.00 H new ATOM 0 HB2 MET A 11 -17.219 19.279 -17.918 1.00 0.00 H new ATOM 0 HB3 MET A 11 -17.952 20.860 -18.107 1.00 0.00 H new ATOM 0 HG2 MET A 11 -17.983 20.731 -20.431 1.00 0.00 H new ATOM 0 HG3 MET A 11 -16.640 19.607 -20.500 1.00 0.00 H new ATOM 0 HE1 MET A 11 -20.726 18.435 -21.352 1.00 0.00 H new ATOM 0 HE2 MET A 11 -20.407 20.047 -20.669 1.00 0.00 H new ATOM 0 HE3 MET A 11 -19.495 19.486 -22.091 1.00 0.00 H new ATOM 171 N ALA A 12 -16.355 22.802 -19.696 1.00 0.00 N ATOM 172 CA ALA A 12 -16.518 24.225 -19.965 1.00 0.00 C ATOM 173 C ALA A 12 -17.377 24.891 -18.895 1.00 0.00 C ATOM 174 O ALA A 12 -16.902 25.742 -18.145 1.00 0.00 O ATOM 175 CB ALA A 12 -17.130 24.434 -21.342 1.00 0.00 C ATOM 0 H ALA A 12 -16.580 22.195 -20.484 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.532 24.690 -19.943 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -17.246 25.501 -21.530 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -16.477 24.001 -22.100 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -18.106 23.950 -21.384 1.00 0.00 H new ATOM 181 N GLY A 13 -18.646 24.497 -18.831 1.00 0.00 N ATOM 182 CA GLY A 13 -19.551 25.068 -17.851 1.00 0.00 C ATOM 183 C GLY A 13 -19.909 24.086 -16.752 1.00 0.00 C ATOM 184 O GLY A 13 -21.065 23.687 -16.620 1.00 0.00 O ATOM 0 H GLY A 13 -19.063 23.793 -19.440 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -19.092 25.952 -17.409 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -20.462 25.398 -18.351 1.00 0.00 H new ATOM 188 N SER A 14 -18.913 23.695 -15.963 1.00 0.00 N ATOM 189 CA SER A 14 -19.128 22.750 -14.874 1.00 0.00 C ATOM 190 C SER A 14 -17.994 22.827 -13.856 1.00 0.00 C ATOM 191 O SER A 14 -16.861 23.169 -14.196 1.00 0.00 O ATOM 192 CB SER A 14 -19.241 21.326 -15.421 1.00 0.00 C ATOM 193 OG SER A 14 -20.329 21.211 -16.323 1.00 0.00 O ATOM 0 H SER A 14 -17.950 24.018 -16.058 1.00 0.00 H new ATOM 0 HA SER A 14 -20.060 23.015 -14.375 1.00 0.00 H new ATOM 0 HB2 SER A 14 -18.315 21.053 -15.927 1.00 0.00 H new ATOM 0 HB3 SER A 14 -19.373 20.626 -14.596 1.00 0.00 H new ATOM 0 HG SER A 14 -20.921 21.986 -16.222 1.00 0.00 H new ATOM 199 N HIS A 15 -18.307 22.506 -12.605 1.00 0.00 N ATOM 200 CA HIS A 15 -17.315 22.538 -11.536 1.00 0.00 C ATOM 201 C HIS A 15 -16.272 21.443 -11.730 1.00 0.00 C ATOM 202 O HIS A 15 -16.487 20.468 -12.451 1.00 0.00 O ATOM 203 CB HIS A 15 -17.995 22.376 -10.176 1.00 0.00 C ATOM 204 CG HIS A 15 -18.418 23.674 -9.559 1.00 0.00 C ATOM 205 ND1 HIS A 15 -19.739 24.029 -9.386 1.00 0.00 N ATOM 206 CD2 HIS A 15 -17.687 24.704 -9.073 1.00 0.00 C ATOM 207 CE1 HIS A 15 -19.802 25.222 -8.821 1.00 0.00 C ATOM 208 NE2 HIS A 15 -18.570 25.653 -8.620 1.00 0.00 N ATOM 0 H HIS A 15 -19.240 22.221 -12.306 1.00 0.00 H new ATOM 0 HA HIS A 15 -16.812 23.504 -11.569 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -18.870 21.736 -10.290 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -17.313 21.865 -9.496 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -16.609 24.768 -9.046 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -20.707 25.754 -8.567 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -18.316 26.546 -8.197 1.00 0.00 H new ATOM 216 N PRO A 16 -15.114 21.604 -11.073 1.00 0.00 N ATOM 217 CA PRO A 16 -14.014 20.639 -11.158 1.00 0.00 C ATOM 218 C PRO A 16 -14.341 19.325 -10.458 1.00 0.00 C ATOM 219 O PRO A 16 -14.873 19.316 -9.347 1.00 0.00 O ATOM 220 CB PRO A 16 -12.861 21.352 -10.447 1.00 0.00 C ATOM 221 CG PRO A 16 -13.523 22.305 -9.513 1.00 0.00 C ATOM 222 CD PRO A 16 -14.789 22.742 -10.196 1.00 0.00 C ATOM 0 HA PRO A 16 -13.792 20.364 -12.189 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.230 20.645 -9.909 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -12.220 21.875 -11.157 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.740 21.828 -8.557 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.878 23.158 -9.304 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.586 22.937 -9.478 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -14.642 23.659 -10.766 1.00 0.00 H new ATOM 230 N THR A 17 -14.018 18.214 -11.113 1.00 0.00 N ATOM 231 CA THR A 17 -14.278 16.893 -10.554 1.00 0.00 C ATOM 232 C THR A 17 -12.982 16.118 -10.349 1.00 0.00 C ATOM 233 O THR A 17 -12.224 15.894 -11.294 1.00 0.00 O ATOM 234 CB THR A 17 -15.216 16.074 -11.461 1.00 0.00 C ATOM 235 OG1 THR A 17 -16.494 16.713 -11.548 1.00 0.00 O ATOM 236 CG2 THR A 17 -15.385 14.660 -10.926 1.00 0.00 C ATOM 0 H THR A 17 -13.576 18.203 -12.032 1.00 0.00 H new ATOM 0 HA THR A 17 -14.762 17.047 -9.589 1.00 0.00 H new ATOM 0 HB THR A 17 -14.770 16.019 -12.454 1.00 0.00 H new ATOM 0 HG1 THR A 17 -17.084 16.187 -12.128 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.051 14.100 -11.582 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.414 14.167 -10.888 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.811 14.699 -9.924 1.00 0.00 H new ATOM 244 N THR A 18 -12.732 15.708 -9.109 1.00 0.00 N ATOM 245 CA THR A 18 -11.527 14.957 -8.781 1.00 0.00 C ATOM 246 C THR A 18 -11.744 13.460 -8.968 1.00 0.00 C ATOM 247 O THR A 18 -12.427 12.818 -8.170 1.00 0.00 O ATOM 248 CB THR A 18 -11.078 15.222 -7.331 1.00 0.00 C ATOM 249 OG1 THR A 18 -11.429 16.556 -6.945 1.00 0.00 O ATOM 250 CG2 THR A 18 -9.577 15.025 -7.185 1.00 0.00 C ATOM 0 H THR A 18 -13.348 15.884 -8.316 1.00 0.00 H new ATOM 0 HA THR A 18 -10.747 15.296 -9.463 1.00 0.00 H new ATOM 0 HB THR A 18 -11.587 14.510 -6.681 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.142 16.716 -6.022 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.283 15.218 -6.153 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.317 14.000 -7.451 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.053 15.716 -7.846 1.00 0.00 H new ATOM 258 N ILE A 19 -11.157 12.910 -10.026 1.00 0.00 N ATOM 259 CA ILE A 19 -11.285 11.488 -10.316 1.00 0.00 C ATOM 260 C ILE A 19 -10.023 10.730 -9.920 1.00 0.00 C ATOM 261 O ILE A 19 -9.006 10.791 -10.613 1.00 0.00 O ATOM 262 CB ILE A 19 -11.571 11.241 -11.810 1.00 0.00 C ATOM 263 CG1 ILE A 19 -12.642 12.211 -12.313 1.00 0.00 C ATOM 264 CG2 ILE A 19 -12.005 9.800 -12.035 1.00 0.00 C ATOM 265 CD1 ILE A 19 -12.901 12.106 -13.800 1.00 0.00 C ATOM 0 H ILE A 19 -10.588 13.428 -10.696 1.00 0.00 H new ATOM 0 HA ILE A 19 -12.126 11.121 -9.728 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.655 11.416 -12.375 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -13.572 12.023 -11.776 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -12.338 13.231 -12.076 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.203 9.641 -13.095 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.213 9.126 -11.709 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -12.910 9.599 -11.462 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.671 12.822 -14.087 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.983 12.323 -14.345 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.236 11.097 -14.041 1.00 0.00 H new ATOM 277 N CYS A 20 -10.095 10.015 -8.803 1.00 0.00 N ATOM 278 CA CYS A 20 -8.958 9.243 -8.314 1.00 0.00 C ATOM 279 C CYS A 20 -8.853 7.908 -9.043 1.00 0.00 C ATOM 280 O CYS A 20 -9.731 7.053 -8.926 1.00 0.00 O ATOM 281 CB CYS A 20 -9.084 9.007 -6.808 1.00 0.00 C ATOM 282 SG CYS A 20 -9.475 10.496 -5.859 1.00 0.00 S ATOM 0 H CYS A 20 -10.929 9.954 -8.219 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.051 9.815 -8.510 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -9.860 8.262 -6.631 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.149 8.588 -6.437 1.00 0.00 H new ATOM 0 HG CYS A 20 -9.563 10.196 -4.597 1.00 0.00 H new ATOM 288 N VAL A 21 -7.773 7.735 -9.799 1.00 0.00 N ATOM 289 CA VAL A 21 -7.553 6.503 -10.548 1.00 0.00 C ATOM 290 C VAL A 21 -6.156 5.949 -10.296 1.00 0.00 C ATOM 291 O VAL A 21 -5.166 6.678 -10.358 1.00 0.00 O ATOM 292 CB VAL A 21 -7.740 6.726 -12.061 1.00 0.00 C ATOM 293 CG1 VAL A 21 -7.627 5.409 -12.812 1.00 0.00 C ATOM 294 CG2 VAL A 21 -9.079 7.394 -12.339 1.00 0.00 C ATOM 0 H VAL A 21 -7.037 8.432 -9.909 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.294 5.784 -10.200 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.949 7.388 -12.414 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.762 5.586 -13.879 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.643 4.974 -12.638 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.395 4.721 -12.458 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.195 7.544 -13.412 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.885 6.759 -11.972 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.117 8.358 -11.832 1.00 0.00 H new ATOM 304 N VAL A 22 -6.082 4.652 -10.013 1.00 0.00 N ATOM 305 CA VAL A 22 -4.805 3.998 -9.753 1.00 0.00 C ATOM 306 C VAL A 22 -3.848 4.174 -10.927 1.00 0.00 C ATOM 307 O VAL A 22 -4.275 4.387 -12.061 1.00 0.00 O ATOM 308 CB VAL A 22 -4.990 2.494 -9.477 1.00 0.00 C ATOM 309 CG1 VAL A 22 -5.795 2.280 -8.204 1.00 0.00 C ATOM 310 CG2 VAL A 22 -5.660 1.814 -10.661 1.00 0.00 C ATOM 0 H VAL A 22 -6.891 4.034 -9.958 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.381 4.473 -8.868 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.007 2.044 -9.337 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.916 1.212 -8.025 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.271 2.732 -7.362 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.776 2.743 -8.312 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.783 0.752 -10.449 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.637 2.265 -10.834 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.041 1.937 -11.550 1.00 0.00 H new ATOM 320 N MET A 23 -2.552 4.083 -10.646 1.00 0.00 N ATOM 321 CA MET A 23 -1.535 4.230 -11.680 1.00 0.00 C ATOM 322 C MET A 23 -1.694 3.160 -12.756 1.00 0.00 C ATOM 323 O MET A 23 -1.238 3.331 -13.887 1.00 0.00 O ATOM 324 CB MET A 23 -0.136 4.147 -11.065 1.00 0.00 C ATOM 325 CG MET A 23 0.154 2.814 -10.395 1.00 0.00 C ATOM 326 SD MET A 23 1.905 2.385 -10.431 1.00 0.00 S ATOM 327 CE MET A 23 1.833 0.723 -11.094 1.00 0.00 C ATOM 0 H MET A 23 -2.182 3.908 -9.712 1.00 0.00 H new ATOM 0 HA MET A 23 -1.663 5.208 -12.144 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.606 4.322 -11.844 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.022 4.945 -10.332 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.186 2.850 -9.360 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.418 2.030 -10.891 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.845 0.353 -11.260 1.00 0.00 H new ATOM 0 HE2 MET A 23 1.320 0.071 -10.387 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.291 0.732 -12.039 1.00 0.00 H new ATOM 337 N ASP A 24 -2.344 2.059 -12.397 1.00 0.00 N ATOM 338 CA ASP A 24 -2.564 0.962 -13.333 1.00 0.00 C ATOM 339 C ASP A 24 -3.652 1.317 -14.341 1.00 0.00 C ATOM 340 O ASP A 24 -3.676 0.792 -15.454 1.00 0.00 O ATOM 341 CB ASP A 24 -2.948 -0.311 -12.577 1.00 0.00 C ATOM 342 CG ASP A 24 -2.176 -0.472 -11.282 1.00 0.00 C ATOM 343 OD1 ASP A 24 -0.941 -0.645 -11.346 1.00 0.00 O ATOM 344 OD2 ASP A 24 -2.806 -0.424 -10.205 1.00 0.00 O ATOM 0 H ASP A 24 -2.728 1.902 -11.465 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.635 0.788 -13.875 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.016 -0.293 -12.360 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.767 -1.177 -13.214 1.00 0.00 H new ATOM 349 N ARG A 25 -4.552 2.211 -13.943 1.00 0.00 N ATOM 350 CA ARG A 25 -5.644 2.635 -14.811 1.00 0.00 C ATOM 351 C ARG A 25 -5.456 4.083 -15.253 1.00 0.00 C ATOM 352 O ARG A 25 -6.401 4.735 -15.699 1.00 0.00 O ATOM 353 CB ARG A 25 -6.985 2.481 -14.091 1.00 0.00 C ATOM 354 CG ARG A 25 -7.664 1.146 -14.349 1.00 0.00 C ATOM 355 CD ARG A 25 -6.844 -0.012 -13.801 1.00 0.00 C ATOM 356 NE ARG A 25 -5.967 -0.590 -14.815 1.00 0.00 N ATOM 357 CZ ARG A 25 -5.301 -1.727 -14.649 1.00 0.00 C ATOM 358 NH1 ARG A 25 -5.413 -2.405 -13.515 1.00 0.00 N ATOM 359 NH2 ARG A 25 -4.522 -2.189 -15.619 1.00 0.00 N ATOM 0 H ARG A 25 -4.546 2.655 -13.025 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.639 1.999 -15.696 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.828 2.598 -13.019 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.651 3.285 -14.405 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.652 1.144 -13.888 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.812 1.013 -15.421 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.245 0.335 -12.959 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.514 -0.782 -13.420 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.860 -0.093 -15.699 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.012 -2.054 -12.768 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.900 -3.278 -13.390 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.434 -1.671 -16.493 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.011 -3.062 -15.490 1.00 0.00 H new ATOM 373 N PHE A 26 -4.230 4.581 -15.127 1.00 0.00 N ATOM 374 CA PHE A 26 -3.918 5.952 -15.513 1.00 0.00 C ATOM 375 C PHE A 26 -4.141 6.161 -17.008 1.00 0.00 C ATOM 376 O PHE A 26 -4.900 7.041 -17.417 1.00 0.00 O ATOM 377 CB PHE A 26 -2.470 6.290 -15.150 1.00 0.00 C ATOM 378 CG PHE A 26 -2.281 7.708 -14.695 1.00 0.00 C ATOM 379 CD1 PHE A 26 -2.970 8.744 -15.307 1.00 0.00 C ATOM 380 CD2 PHE A 26 -1.415 8.007 -13.655 1.00 0.00 C ATOM 381 CE1 PHE A 26 -2.798 10.050 -14.890 1.00 0.00 C ATOM 382 CE2 PHE A 26 -1.241 9.312 -13.234 1.00 0.00 C ATOM 383 CZ PHE A 26 -1.932 10.335 -13.853 1.00 0.00 C ATOM 0 H PHE A 26 -3.436 4.055 -14.761 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.587 6.617 -14.967 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.135 5.616 -14.361 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.835 6.107 -16.017 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.649 8.528 -16.119 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.870 7.212 -13.168 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.341 10.848 -15.375 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.565 9.532 -12.421 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.795 11.355 -13.527 1.00 0.00 H new ATOM 393 N LEU A 27 -3.475 5.347 -17.819 1.00 0.00 N ATOM 394 CA LEU A 27 -3.599 5.442 -19.269 1.00 0.00 C ATOM 395 C LEU A 27 -5.048 5.252 -19.705 1.00 0.00 C ATOM 396 O LEU A 27 -5.580 6.042 -20.485 1.00 0.00 O ATOM 397 CB LEU A 27 -2.710 4.397 -19.946 1.00 0.00 C ATOM 398 CG LEU A 27 -2.026 4.835 -21.242 1.00 0.00 C ATOM 399 CD1 LEU A 27 -1.338 3.654 -21.908 1.00 0.00 C ATOM 400 CD2 LEU A 27 -3.034 5.472 -22.188 1.00 0.00 C ATOM 0 H LEU A 27 -2.843 4.614 -17.497 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.275 6.438 -19.572 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.940 4.091 -19.238 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.316 3.516 -20.158 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.268 5.579 -20.997 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.857 3.985 -22.828 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.587 3.243 -21.234 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.076 2.886 -22.140 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.530 5.778 -23.105 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.815 4.750 -22.427 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.480 6.345 -21.711 1.00 0.00 H new ATOM 412 N GLU A 28 -5.682 4.201 -19.195 1.00 0.00 N ATOM 413 CA GLU A 28 -7.071 3.910 -19.531 1.00 0.00 C ATOM 414 C GLU A 28 -7.957 5.128 -19.286 1.00 0.00 C ATOM 415 O GLU A 28 -8.719 5.540 -20.161 1.00 0.00 O ATOM 416 CB GLU A 28 -7.579 2.723 -18.710 1.00 0.00 C ATOM 417 CG GLU A 28 -8.802 2.048 -19.309 1.00 0.00 C ATOM 418 CD GLU A 28 -8.448 1.087 -20.428 1.00 0.00 C ATOM 419 OE1 GLU A 28 -7.884 0.013 -20.131 1.00 0.00 O ATOM 420 OE2 GLU A 28 -8.736 1.409 -21.600 1.00 0.00 O ATOM 0 H GLU A 28 -5.256 3.537 -18.548 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.116 3.657 -20.590 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.779 1.989 -18.615 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.819 3.065 -17.703 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.334 1.508 -18.526 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.482 2.809 -19.690 1.00 0.00 H new ATOM 427 N SER A 29 -7.851 5.699 -18.091 1.00 0.00 N ATOM 428 CA SER A 29 -8.645 6.867 -17.729 1.00 0.00 C ATOM 429 C SER A 29 -8.398 8.015 -18.703 1.00 0.00 C ATOM 430 O SER A 29 -9.338 8.642 -19.192 1.00 0.00 O ATOM 431 CB SER A 29 -8.315 7.313 -16.303 1.00 0.00 C ATOM 432 OG SER A 29 -7.053 7.956 -16.249 1.00 0.00 O ATOM 0 H SER A 29 -7.223 5.372 -17.357 1.00 0.00 H new ATOM 0 HA SER A 29 -9.698 6.590 -17.781 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.088 7.992 -15.943 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.315 6.449 -15.639 1.00 0.00 H new ATOM 0 HG SER A 29 -6.356 7.333 -16.541 1.00 0.00 H new ATOM 438 N PHE A 30 -7.127 8.285 -18.980 1.00 0.00 N ATOM 439 CA PHE A 30 -6.755 9.358 -19.894 1.00 0.00 C ATOM 440 C PHE A 30 -7.315 9.101 -21.290 1.00 0.00 C ATOM 441 O PHE A 30 -7.815 10.014 -21.947 1.00 0.00 O ATOM 442 CB PHE A 30 -5.232 9.495 -19.961 1.00 0.00 C ATOM 443 CG PHE A 30 -4.764 10.912 -20.128 1.00 0.00 C ATOM 444 CD1 PHE A 30 -4.937 11.576 -21.332 1.00 0.00 C ATOM 445 CD2 PHE A 30 -4.153 11.581 -19.080 1.00 0.00 C ATOM 446 CE1 PHE A 30 -4.507 12.880 -21.488 1.00 0.00 C ATOM 447 CE2 PHE A 30 -3.721 12.886 -19.230 1.00 0.00 C ATOM 448 CZ PHE A 30 -3.899 13.536 -20.435 1.00 0.00 C ATOM 0 H PHE A 30 -6.337 7.775 -18.584 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.180 10.288 -19.516 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.798 9.082 -19.050 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.858 8.897 -20.792 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.413 11.069 -22.158 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.012 11.078 -18.135 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.646 13.386 -22.432 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.245 13.396 -18.406 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.564 14.556 -20.554 1.00 0.00 H new ATOM 458 N SER A 31 -7.227 7.853 -21.737 1.00 0.00 N ATOM 459 CA SER A 31 -7.721 7.476 -23.056 1.00 0.00 C ATOM 460 C SER A 31 -9.210 7.781 -23.186 1.00 0.00 C ATOM 461 O SER A 31 -9.640 8.427 -24.140 1.00 0.00 O ATOM 462 CB SER A 31 -7.469 5.989 -23.313 1.00 0.00 C ATOM 463 OG SER A 31 -7.488 5.700 -24.700 1.00 0.00 O ATOM 0 H SER A 31 -6.818 7.085 -21.205 1.00 0.00 H new ATOM 0 HA SER A 31 -7.181 8.062 -23.800 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.505 5.702 -22.892 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.228 5.395 -22.804 1.00 0.00 H new ATOM 0 HG SER A 31 -7.323 4.744 -24.837 1.00 0.00 H new ATOM 469 N GLU A 32 -9.991 7.310 -22.219 1.00 0.00 N ATOM 470 CA GLU A 32 -11.432 7.531 -22.225 1.00 0.00 C ATOM 471 C GLU A 32 -11.755 9.014 -22.070 1.00 0.00 C ATOM 472 O GLU A 32 -12.742 9.507 -22.619 1.00 0.00 O ATOM 473 CB GLU A 32 -12.098 6.732 -21.103 1.00 0.00 C ATOM 474 CG GLU A 32 -13.560 6.413 -21.368 1.00 0.00 C ATOM 475 CD GLU A 32 -13.745 5.437 -22.514 1.00 0.00 C ATOM 476 OE1 GLU A 32 -13.431 4.242 -22.333 1.00 0.00 O ATOM 477 OE2 GLU A 32 -14.205 5.869 -23.592 1.00 0.00 O ATOM 0 H GLU A 32 -9.650 6.773 -21.422 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.822 7.190 -23.184 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.552 5.800 -20.959 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.020 7.294 -20.172 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.007 5.997 -20.465 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.095 7.336 -21.592 1.00 0.00 H new ATOM 484 N LEU A 33 -10.918 9.720 -21.318 1.00 0.00 N ATOM 485 CA LEU A 33 -11.114 11.148 -21.088 1.00 0.00 C ATOM 486 C LEU A 33 -10.982 11.931 -22.390 1.00 0.00 C ATOM 487 O LEU A 33 -11.773 12.833 -22.667 1.00 0.00 O ATOM 488 CB LEU A 33 -10.102 11.663 -20.064 1.00 0.00 C ATOM 489 CG LEU A 33 -10.527 12.892 -19.260 1.00 0.00 C ATOM 490 CD1 LEU A 33 -10.739 14.085 -20.179 1.00 0.00 C ATOM 491 CD2 LEU A 33 -11.791 12.597 -18.465 1.00 0.00 C ATOM 0 H LEU A 33 -10.097 9.328 -20.857 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.121 11.294 -20.698 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.879 10.856 -19.366 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.175 11.898 -20.586 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.729 13.138 -18.559 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.041 14.950 -19.589 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.810 14.310 -20.703 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.518 13.851 -20.905 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.079 13.482 -17.899 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.596 12.325 -19.148 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.604 11.772 -17.778 1.00 0.00 H new ATOM 503 N TYR A 34 -9.979 11.580 -23.187 1.00 0.00 N ATOM 504 CA TYR A 34 -9.743 12.250 -24.460 1.00 0.00 C ATOM 505 C TYR A 34 -10.935 12.078 -25.396 1.00 0.00 C ATOM 506 O TYR A 34 -11.125 12.860 -26.328 1.00 0.00 O ATOM 507 CB TYR A 34 -8.477 11.702 -25.122 1.00 0.00 C ATOM 508 CG TYR A 34 -8.279 12.185 -26.541 1.00 0.00 C ATOM 509 CD1 TYR A 34 -8.185 13.541 -26.828 1.00 0.00 C ATOM 510 CD2 TYR A 34 -8.184 11.285 -27.595 1.00 0.00 C ATOM 511 CE1 TYR A 34 -8.005 13.987 -28.123 1.00 0.00 C ATOM 512 CE2 TYR A 34 -8.002 11.721 -28.893 1.00 0.00 C ATOM 513 CZ TYR A 34 -7.913 13.073 -29.152 1.00 0.00 C ATOM 514 OH TYR A 34 -7.732 13.513 -30.443 1.00 0.00 O ATOM 0 H TYR A 34 -9.316 10.835 -22.974 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.610 13.314 -24.262 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.611 11.989 -24.525 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.518 10.613 -25.120 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.254 14.259 -26.024 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.254 10.226 -27.396 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.937 15.045 -28.329 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.930 11.007 -29.700 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.686 12.743 -31.048 1.00 0.00 H new ATOM 524 N ASP A 35 -11.736 11.050 -25.140 1.00 0.00 N ATOM 525 CA ASP A 35 -12.912 10.775 -25.957 1.00 0.00 C ATOM 526 C ASP A 35 -14.117 11.566 -25.459 1.00 0.00 C ATOM 527 O ASP A 35 -14.714 12.342 -26.206 1.00 0.00 O ATOM 528 CB ASP A 35 -13.229 9.278 -25.945 1.00 0.00 C ATOM 529 CG ASP A 35 -12.748 8.575 -27.199 1.00 0.00 C ATOM 530 OD1 ASP A 35 -11.594 8.819 -27.611 1.00 0.00 O ATOM 531 OD2 ASP A 35 -13.524 7.779 -27.767 1.00 0.00 O ATOM 0 H ASP A 35 -11.592 10.393 -24.373 1.00 0.00 H new ATOM 0 HA ASP A 35 -12.694 11.085 -26.979 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.764 8.818 -25.073 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.305 9.138 -25.844 1.00 0.00 H new ATOM 536 N ILE A 36 -14.470 11.364 -24.194 1.00 0.00 N ATOM 537 CA ILE A 36 -15.604 12.059 -23.597 1.00 0.00 C ATOM 538 C ILE A 36 -15.405 13.571 -23.637 1.00 0.00 C ATOM 539 O ILE A 36 -16.352 14.326 -23.859 1.00 0.00 O ATOM 540 CB ILE A 36 -15.828 11.620 -22.138 1.00 0.00 C ATOM 541 CG1 ILE A 36 -17.010 12.379 -21.531 1.00 0.00 C ATOM 542 CG2 ILE A 36 -14.568 11.848 -21.317 1.00 0.00 C ATOM 543 CD1 ILE A 36 -17.367 11.922 -20.134 1.00 0.00 C ATOM 0 H ILE A 36 -13.987 10.725 -23.563 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.482 11.795 -24.186 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.058 10.555 -22.125 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.775 13.443 -21.508 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.879 12.259 -22.177 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.742 11.533 -20.288 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -13.748 11.268 -21.740 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.310 12.907 -21.333 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -18.213 12.503 -19.766 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.634 10.865 -20.154 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.512 12.068 -19.474 1.00 0.00 H new ATOM 555 N ILE A 37 -14.168 14.005 -23.422 1.00 0.00 N ATOM 556 CA ILE A 37 -13.844 15.426 -23.436 1.00 0.00 C ATOM 557 C ILE A 37 -14.186 16.054 -24.783 1.00 0.00 C ATOM 558 O ILE A 37 -14.490 17.244 -24.865 1.00 0.00 O ATOM 559 CB ILE A 37 -12.354 15.667 -23.133 1.00 0.00 C ATOM 560 CG1 ILE A 37 -12.106 17.145 -22.823 1.00 0.00 C ATOM 561 CG2 ILE A 37 -11.495 15.215 -24.305 1.00 0.00 C ATOM 562 CD1 ILE A 37 -12.239 17.485 -21.355 1.00 0.00 C ATOM 0 H ILE A 37 -13.374 13.393 -23.236 1.00 0.00 H new ATOM 0 HA ILE A 37 -14.445 15.894 -22.656 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.077 15.080 -22.257 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -11.106 17.416 -23.161 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -12.810 17.751 -23.393 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.444 15.392 -24.076 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.653 14.151 -24.483 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.771 15.777 -25.197 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.050 18.549 -21.209 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -13.247 17.246 -21.016 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.516 16.906 -20.780 1.00 0.00 H new ATOM 574 N ASP A 38 -14.134 15.246 -25.836 1.00 0.00 N ATOM 575 CA ASP A 38 -14.440 15.721 -27.180 1.00 0.00 C ATOM 576 C ASP A 38 -15.927 16.035 -27.320 1.00 0.00 C ATOM 577 O ASP A 38 -16.322 16.855 -28.148 1.00 0.00 O ATOM 578 CB ASP A 38 -14.027 14.678 -28.220 1.00 0.00 C ATOM 579 CG ASP A 38 -13.679 15.301 -29.558 1.00 0.00 C ATOM 580 OD1 ASP A 38 -14.606 15.750 -30.263 1.00 0.00 O ATOM 581 OD2 ASP A 38 -12.478 15.340 -29.899 1.00 0.00 O ATOM 0 H ASP A 38 -13.883 14.259 -25.785 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.875 16.637 -27.352 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.168 14.119 -27.848 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -14.839 13.963 -28.355 1.00 0.00 H new ATOM 586 N GLU A 39 -16.745 15.375 -26.506 1.00 0.00 N ATOM 587 CA GLU A 39 -18.188 15.583 -26.541 1.00 0.00 C ATOM 588 C GLU A 39 -18.615 16.608 -25.494 1.00 0.00 C ATOM 589 O GLU A 39 -17.779 17.211 -24.823 1.00 0.00 O ATOM 590 CB GLU A 39 -18.922 14.261 -26.306 1.00 0.00 C ATOM 591 CG GLU A 39 -18.444 13.132 -27.204 1.00 0.00 C ATOM 592 CD GLU A 39 -18.895 13.300 -28.642 1.00 0.00 C ATOM 593 OE1 GLU A 39 -18.555 14.333 -29.255 1.00 0.00 O ATOM 594 OE2 GLU A 39 -19.589 12.397 -29.155 1.00 0.00 O ATOM 0 H GLU A 39 -16.433 14.692 -25.815 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.451 15.965 -27.527 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -18.795 13.965 -25.265 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -19.989 14.414 -26.466 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -17.356 13.083 -27.172 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -18.817 12.183 -26.819 1.00 0.00 H new ATOM 601 N ASN A 40 -19.924 16.798 -25.361 1.00 0.00 N ATOM 602 CA ASN A 40 -20.464 17.750 -24.397 1.00 0.00 C ATOM 603 C ASN A 40 -21.524 17.093 -23.518 1.00 0.00 C ATOM 604 O ASN A 40 -22.452 17.752 -23.049 1.00 0.00 O ATOM 605 CB ASN A 40 -21.062 18.957 -25.121 1.00 0.00 C ATOM 606 CG ASN A 40 -21.024 20.216 -24.276 1.00 0.00 C ATOM 607 OD1 ASN A 40 -19.997 20.890 -24.193 1.00 0.00 O ATOM 608 ND2 ASN A 40 -22.146 20.539 -23.644 1.00 0.00 N ATOM 0 H ASN A 40 -20.630 16.306 -25.908 1.00 0.00 H new ATOM 0 HA ASN A 40 -19.646 18.086 -23.759 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -20.515 19.128 -26.048 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -22.094 18.738 -25.395 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -22.180 21.375 -23.061 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -22.974 19.951 -23.742 1.00 0.00 H new ATOM 615 N ASP A 41 -21.379 15.791 -23.300 1.00 0.00 N ATOM 616 CA ASP A 41 -22.323 15.044 -22.477 1.00 0.00 C ATOM 617 C ASP A 41 -22.063 15.289 -20.994 1.00 0.00 C ATOM 618 O ASP A 41 -21.147 14.711 -20.408 1.00 0.00 O ATOM 619 CB ASP A 41 -22.227 13.548 -22.783 1.00 0.00 C ATOM 620 CG ASP A 41 -22.808 13.196 -24.138 1.00 0.00 C ATOM 621 OD1 ASP A 41 -23.725 13.911 -24.595 1.00 0.00 O ATOM 622 OD2 ASP A 41 -22.346 12.207 -24.743 1.00 0.00 O ATOM 0 H ASP A 41 -20.617 15.231 -23.682 1.00 0.00 H new ATOM 0 HA ASP A 41 -23.328 15.392 -22.714 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -21.182 13.239 -22.748 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -22.752 12.987 -22.009 1.00 0.00 H new ATOM 627 N THR A 42 -22.875 16.152 -20.391 1.00 0.00 N ATOM 628 CA THR A 42 -22.733 16.476 -18.977 1.00 0.00 C ATOM 629 C THR A 42 -23.462 15.462 -18.104 1.00 0.00 C ATOM 630 O THR A 42 -23.093 15.244 -16.949 1.00 0.00 O ATOM 631 CB THR A 42 -23.272 17.885 -18.667 1.00 0.00 C ATOM 632 OG1 THR A 42 -23.101 18.737 -19.805 1.00 0.00 O ATOM 633 CG2 THR A 42 -22.557 18.486 -17.466 1.00 0.00 C ATOM 0 H THR A 42 -23.638 16.639 -20.860 1.00 0.00 H new ATOM 0 HA THR A 42 -21.667 16.445 -18.751 1.00 0.00 H new ATOM 0 HB THR A 42 -24.333 17.800 -18.433 1.00 0.00 H new ATOM 0 HG1 THR A 42 -23.448 19.630 -19.600 1.00 0.00 H new ATOM 0 HG21 THR A 42 -22.955 19.481 -17.266 1.00 0.00 H new ATOM 0 HG22 THR A 42 -22.714 17.851 -16.594 1.00 0.00 H new ATOM 0 HG23 THR A 42 -21.490 18.557 -17.676 1.00 0.00 H new ATOM 641 N ASP A 43 -24.497 14.844 -18.662 1.00 0.00 N ATOM 642 CA ASP A 43 -25.277 13.850 -17.934 1.00 0.00 C ATOM 643 C ASP A 43 -24.501 12.545 -17.794 1.00 0.00 C ATOM 644 O ASP A 43 -24.744 11.760 -16.878 1.00 0.00 O ATOM 645 CB ASP A 43 -26.607 13.594 -18.645 1.00 0.00 C ATOM 646 CG ASP A 43 -27.491 14.825 -18.682 1.00 0.00 C ATOM 647 OD1 ASP A 43 -27.414 15.640 -17.738 1.00 0.00 O ATOM 648 OD2 ASP A 43 -28.258 14.975 -19.655 1.00 0.00 O ATOM 0 H ASP A 43 -24.815 15.014 -19.616 1.00 0.00 H new ATOM 0 HA ASP A 43 -25.476 14.241 -16.936 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -26.412 13.260 -19.664 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -27.136 12.786 -18.140 1.00 0.00 H new ATOM 653 N VAL A 44 -23.565 12.318 -18.711 1.00 0.00 N ATOM 654 CA VAL A 44 -22.752 11.108 -18.691 1.00 0.00 C ATOM 655 C VAL A 44 -21.523 11.286 -17.807 1.00 0.00 C ATOM 656 O VAL A 44 -20.911 10.310 -17.374 1.00 0.00 O ATOM 657 CB VAL A 44 -22.298 10.713 -20.109 1.00 0.00 C ATOM 658 CG1 VAL A 44 -21.559 9.384 -20.082 1.00 0.00 C ATOM 659 CG2 VAL A 44 -23.490 10.651 -21.051 1.00 0.00 C ATOM 0 H VAL A 44 -23.351 12.957 -19.477 1.00 0.00 H new ATOM 0 HA VAL A 44 -23.377 10.314 -18.283 1.00 0.00 H new ATOM 0 HB VAL A 44 -21.612 11.475 -20.478 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -21.246 9.121 -21.092 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -20.682 9.469 -19.441 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -22.219 8.608 -19.693 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -23.151 10.371 -22.048 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -24.202 9.910 -20.688 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -23.972 11.628 -21.093 1.00 0.00 H new ATOM 669 N MET A 45 -21.168 12.539 -17.542 1.00 0.00 N ATOM 670 CA MET A 45 -20.012 12.846 -16.707 1.00 0.00 C ATOM 671 C MET A 45 -20.096 12.112 -15.373 1.00 0.00 C ATOM 672 O MET A 45 -19.155 11.427 -14.971 1.00 0.00 O ATOM 673 CB MET A 45 -19.914 14.353 -16.468 1.00 0.00 C ATOM 674 CG MET A 45 -19.183 15.098 -17.574 1.00 0.00 C ATOM 675 SD MET A 45 -17.424 14.707 -17.629 1.00 0.00 S ATOM 676 CE MET A 45 -16.885 15.349 -16.045 1.00 0.00 C ATOM 0 H MET A 45 -21.664 13.358 -17.893 1.00 0.00 H new ATOM 0 HA MET A 45 -19.117 12.510 -17.231 1.00 0.00 H new ATOM 0 HB2 MET A 45 -20.919 14.763 -16.368 1.00 0.00 H new ATOM 0 HB3 MET A 45 -19.402 14.530 -15.522 1.00 0.00 H new ATOM 0 HG2 MET A 45 -19.636 14.851 -18.534 1.00 0.00 H new ATOM 0 HG3 MET A 45 -19.308 16.171 -17.429 1.00 0.00 H new ATOM 0 HE1 MET A 45 -16.226 16.203 -16.204 1.00 0.00 H new ATOM 0 HE2 MET A 45 -17.753 15.664 -15.465 1.00 0.00 H new ATOM 0 HE3 MET A 45 -16.348 14.572 -15.501 1.00 0.00 H new ATOM 686 N MET A 46 -21.227 12.260 -14.691 1.00 0.00 N ATOM 687 CA MET A 46 -21.432 11.610 -13.402 1.00 0.00 C ATOM 688 C MET A 46 -21.177 10.109 -13.503 1.00 0.00 C ATOM 689 O MET A 46 -20.528 9.520 -12.638 1.00 0.00 O ATOM 690 CB MET A 46 -22.854 11.865 -12.898 1.00 0.00 C ATOM 691 CG MET A 46 -23.932 11.446 -13.885 1.00 0.00 C ATOM 692 SD MET A 46 -25.501 12.288 -13.598 1.00 0.00 S ATOM 693 CE MET A 46 -26.580 10.893 -13.283 1.00 0.00 C ATOM 0 H MET A 46 -22.015 12.824 -15.009 1.00 0.00 H new ATOM 0 HA MET A 46 -20.722 12.034 -12.693 1.00 0.00 H new ATOM 0 HB2 MET A 46 -23.001 11.327 -11.962 1.00 0.00 H new ATOM 0 HB3 MET A 46 -22.968 12.926 -12.677 1.00 0.00 H new ATOM 0 HG2 MET A 46 -23.592 11.655 -14.899 1.00 0.00 H new ATOM 0 HG3 MET A 46 -24.084 10.369 -13.816 1.00 0.00 H new ATOM 0 HE1 MET A 46 -27.591 11.252 -13.087 1.00 0.00 H new ATOM 0 HE2 MET A 46 -26.590 10.237 -14.153 1.00 0.00 H new ATOM 0 HE3 MET A 46 -26.217 10.341 -12.416 1.00 0.00 H new ATOM 703 N ASP A 47 -21.693 9.496 -14.562 1.00 0.00 N ATOM 704 CA ASP A 47 -21.521 8.064 -14.777 1.00 0.00 C ATOM 705 C ASP A 47 -20.062 7.730 -15.070 1.00 0.00 C ATOM 706 O ASP A 47 -19.548 6.703 -14.625 1.00 0.00 O ATOM 707 CB ASP A 47 -22.407 7.589 -15.929 1.00 0.00 C ATOM 708 CG ASP A 47 -22.561 6.081 -15.957 1.00 0.00 C ATOM 709 OD1 ASP A 47 -22.873 5.497 -14.899 1.00 0.00 O ATOM 710 OD2 ASP A 47 -22.370 5.485 -17.038 1.00 0.00 O ATOM 0 H ASP A 47 -22.234 9.969 -15.286 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.817 7.547 -13.864 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -23.391 8.050 -15.841 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -21.981 7.925 -16.874 1.00 0.00 H new ATOM 715 N PHE A 48 -19.400 8.603 -15.821 1.00 0.00 N ATOM 716 CA PHE A 48 -18.000 8.400 -16.176 1.00 0.00 C ATOM 717 C PHE A 48 -17.110 8.471 -14.939 1.00 0.00 C ATOM 718 O PHE A 48 -16.190 7.668 -14.776 1.00 0.00 O ATOM 719 CB PHE A 48 -17.554 9.446 -17.199 1.00 0.00 C ATOM 720 CG PHE A 48 -16.068 9.479 -17.414 1.00 0.00 C ATOM 721 CD1 PHE A 48 -15.455 8.561 -18.252 1.00 0.00 C ATOM 722 CD2 PHE A 48 -15.283 10.428 -16.779 1.00 0.00 C ATOM 723 CE1 PHE A 48 -14.088 8.589 -18.451 1.00 0.00 C ATOM 724 CE2 PHE A 48 -13.915 10.461 -16.974 1.00 0.00 C ATOM 725 CZ PHE A 48 -13.317 9.541 -17.812 1.00 0.00 C ATOM 0 H PHE A 48 -19.810 9.458 -16.196 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.903 7.407 -16.616 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -18.046 9.245 -18.150 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -17.887 10.430 -16.869 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -16.053 7.815 -18.755 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -15.746 11.151 -16.124 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -13.622 7.867 -19.106 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.315 11.205 -16.472 1.00 0.00 H new ATOM 0 HZ PHE A 48 -12.249 9.565 -17.968 1.00 0.00 H new ATOM 735 N ILE A 49 -17.390 9.436 -14.070 1.00 0.00 N ATOM 736 CA ILE A 49 -16.616 9.612 -12.848 1.00 0.00 C ATOM 737 C ILE A 49 -16.887 8.484 -11.858 1.00 0.00 C ATOM 738 O ILE A 49 -15.974 7.994 -11.193 1.00 0.00 O ATOM 739 CB ILE A 49 -16.929 10.960 -12.171 1.00 0.00 C ATOM 740 CG1 ILE A 49 -16.603 12.118 -13.116 1.00 0.00 C ATOM 741 CG2 ILE A 49 -16.151 11.094 -10.871 1.00 0.00 C ATOM 742 CD1 ILE A 49 -17.565 13.279 -13.004 1.00 0.00 C ATOM 0 H ILE A 49 -18.148 10.108 -14.190 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.565 9.595 -13.136 1.00 0.00 H new ATOM 0 HB ILE A 49 -17.993 10.994 -11.939 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -15.593 12.472 -12.908 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -16.607 11.751 -14.142 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.383 12.052 -10.405 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -16.429 10.285 -10.196 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.082 11.042 -11.079 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -17.272 14.063 -13.703 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -18.574 12.940 -13.241 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.544 13.673 -11.988 1.00 0.00 H new ATOM 754 N SER A 50 -18.148 8.075 -11.767 1.00 0.00 N ATOM 755 CA SER A 50 -18.541 7.005 -10.857 1.00 0.00 C ATOM 756 C SER A 50 -18.096 5.647 -11.390 1.00 0.00 C ATOM 757 O SER A 50 -17.892 4.704 -10.626 1.00 0.00 O ATOM 758 CB SER A 50 -20.057 7.013 -10.651 1.00 0.00 C ATOM 759 OG SER A 50 -20.417 6.302 -9.480 1.00 0.00 O ATOM 0 H SER A 50 -18.915 8.468 -12.312 1.00 0.00 H new ATOM 0 HA SER A 50 -18.050 7.178 -9.899 1.00 0.00 H new ATOM 0 HB2 SER A 50 -20.412 8.041 -10.579 1.00 0.00 H new ATOM 0 HB3 SER A 50 -20.547 6.566 -11.516 1.00 0.00 H new ATOM 0 HG SER A 50 -21.391 6.324 -9.371 1.00 0.00 H new ATOM 765 N ARG A 51 -17.947 5.556 -12.708 1.00 0.00 N ATOM 766 CA ARG A 51 -17.527 4.314 -13.345 1.00 0.00 C ATOM 767 C ARG A 51 -16.021 4.113 -13.206 1.00 0.00 C ATOM 768 O ARG A 51 -15.559 3.036 -12.828 1.00 0.00 O ATOM 769 CB ARG A 51 -17.917 4.317 -14.824 1.00 0.00 C ATOM 770 CG ARG A 51 -17.486 3.065 -15.571 1.00 0.00 C ATOM 771 CD ARG A 51 -18.091 1.813 -14.954 1.00 0.00 C ATOM 772 NE ARG A 51 -18.276 0.752 -15.940 1.00 0.00 N ATOM 773 CZ ARG A 51 -19.056 -0.305 -15.745 1.00 0.00 C ATOM 774 NH1 ARG A 51 -19.722 -0.440 -14.606 1.00 0.00 N ATOM 775 NH2 ARG A 51 -19.173 -1.229 -16.690 1.00 0.00 N ATOM 0 H ARG A 51 -18.111 6.327 -13.355 1.00 0.00 H new ATOM 0 HA ARG A 51 -18.034 3.489 -12.844 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -18.999 4.424 -14.905 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -17.473 5.188 -15.306 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -17.789 3.140 -16.615 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -16.399 2.989 -15.559 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -17.444 1.455 -14.153 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -19.052 2.059 -14.502 1.00 0.00 H new ATOM 0 HE ARG A 51 -17.779 0.827 -16.827 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -19.636 0.269 -13.878 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -20.321 -1.253 -14.458 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -18.663 -1.128 -17.568 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -19.772 -2.040 -16.539 1.00 0.00 H new ATOM 789 N PHE A 52 -15.259 5.158 -13.514 1.00 0.00 N ATOM 790 CA PHE A 52 -13.805 5.096 -13.425 1.00 0.00 C ATOM 791 C PHE A 52 -13.340 5.273 -11.982 1.00 0.00 C ATOM 792 O PHE A 52 -12.603 4.443 -11.450 1.00 0.00 O ATOM 793 CB PHE A 52 -13.172 6.171 -14.311 1.00 0.00 C ATOM 794 CG PHE A 52 -13.027 5.755 -15.747 1.00 0.00 C ATOM 795 CD1 PHE A 52 -14.107 5.815 -16.613 1.00 0.00 C ATOM 796 CD2 PHE A 52 -11.810 5.304 -16.232 1.00 0.00 C ATOM 797 CE1 PHE A 52 -13.976 5.432 -17.934 1.00 0.00 C ATOM 798 CE2 PHE A 52 -11.672 4.920 -17.552 1.00 0.00 C ATOM 799 CZ PHE A 52 -12.757 4.985 -18.405 1.00 0.00 C ATOM 0 H PHE A 52 -15.624 6.057 -13.827 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.487 4.113 -13.773 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.780 7.075 -14.262 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -12.189 6.426 -13.914 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -15.062 6.165 -16.251 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -10.958 5.252 -15.570 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.826 5.482 -18.598 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -10.718 4.570 -17.916 1.00 0.00 H new ATOM 0 HZ PHE A 52 -12.652 4.687 -19.438 1.00 0.00 H new ATOM 809 N ALA A 53 -13.777 6.360 -11.355 1.00 0.00 N ATOM 810 CA ALA A 53 -13.408 6.646 -9.974 1.00 0.00 C ATOM 811 C ALA A 53 -14.296 5.881 -8.999 1.00 0.00 C ATOM 812 O ALA A 53 -15.520 5.877 -9.132 1.00 0.00 O ATOM 813 CB ALA A 53 -13.490 8.141 -9.705 1.00 0.00 C ATOM 0 H ALA A 53 -14.387 7.057 -11.782 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.380 6.317 -9.823 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.212 8.340 -8.670 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.808 8.669 -10.372 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.509 8.487 -9.880 1.00 0.00 H new ATOM 819 N ARG A 54 -13.672 5.234 -8.021 1.00 0.00 N ATOM 820 CA ARG A 54 -14.407 4.463 -7.024 1.00 0.00 C ATOM 821 C ARG A 54 -14.759 5.329 -5.819 1.00 0.00 C ATOM 822 O ARG A 54 -13.927 6.090 -5.322 1.00 0.00 O ATOM 823 CB ARG A 54 -13.583 3.255 -6.575 1.00 0.00 C ATOM 824 CG ARG A 54 -13.553 2.126 -7.592 1.00 0.00 C ATOM 825 CD ARG A 54 -14.843 1.321 -7.571 1.00 0.00 C ATOM 826 NE ARG A 54 -14.926 0.451 -6.401 1.00 0.00 N ATOM 827 CZ ARG A 54 -16.022 -0.216 -6.057 1.00 0.00 C ATOM 828 NH1 ARG A 54 -17.122 -0.114 -6.791 1.00 0.00 N ATOM 829 NH2 ARG A 54 -16.019 -0.989 -4.979 1.00 0.00 N ATOM 0 H ARG A 54 -12.660 5.228 -7.897 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.333 4.113 -7.481 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.562 3.578 -6.373 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.990 2.877 -5.637 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.396 2.537 -8.589 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.709 1.468 -7.382 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.695 2.001 -7.578 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.909 0.718 -8.477 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.097 0.350 -5.816 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -17.128 0.478 -7.622 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.962 -0.627 -6.525 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.174 -1.072 -4.413 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.861 -1.501 -4.716 1.00 0.00 H new ATOM 843 N THR A 55 -15.998 5.209 -5.351 1.00 0.00 N ATOM 844 CA THR A 55 -16.461 5.981 -4.206 1.00 0.00 C ATOM 845 C THR A 55 -16.142 5.268 -2.897 1.00 0.00 C ATOM 846 O THR A 55 -17.041 4.796 -2.201 1.00 0.00 O ATOM 847 CB THR A 55 -17.977 6.241 -4.279 1.00 0.00 C ATOM 848 OG1 THR A 55 -18.684 4.998 -4.362 1.00 0.00 O ATOM 849 CG2 THR A 55 -18.321 7.106 -5.482 1.00 0.00 C ATOM 0 H THR A 55 -16.699 4.583 -5.749 1.00 0.00 H new ATOM 0 HA THR A 55 -15.935 6.935 -4.235 1.00 0.00 H new ATOM 0 HB THR A 55 -18.276 6.770 -3.374 1.00 0.00 H new ATOM 0 HG1 THR A 55 -18.420 4.421 -3.615 1.00 0.00 H new ATOM 0 HG21 THR A 55 -19.397 7.276 -5.512 1.00 0.00 H new ATOM 0 HG22 THR A 55 -17.805 8.063 -5.402 1.00 0.00 H new ATOM 0 HG23 THR A 55 -18.008 6.600 -6.395 1.00 0.00 H new ATOM 857 N ASP A 56 -14.857 5.194 -2.567 1.00 0.00 N ATOM 858 CA ASP A 56 -14.419 4.540 -1.339 1.00 0.00 C ATOM 859 C ASP A 56 -13.506 5.457 -0.531 1.00 0.00 C ATOM 860 O ASP A 56 -12.966 6.429 -1.056 1.00 0.00 O ATOM 861 CB ASP A 56 -13.693 3.233 -1.664 1.00 0.00 C ATOM 862 CG ASP A 56 -14.515 2.319 -2.551 1.00 0.00 C ATOM 863 OD1 ASP A 56 -15.759 2.409 -2.503 1.00 0.00 O ATOM 864 OD2 ASP A 56 -13.914 1.513 -3.292 1.00 0.00 O ATOM 0 H ASP A 56 -14.100 5.579 -3.133 1.00 0.00 H new ATOM 0 HA ASP A 56 -15.302 4.317 -0.740 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.748 3.459 -2.157 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.453 2.714 -0.736 1.00 0.00 H new ATOM 869 N GLU A 57 -13.340 5.139 0.749 1.00 0.00 N ATOM 870 CA GLU A 57 -12.494 5.936 1.630 1.00 0.00 C ATOM 871 C GLU A 57 -11.355 5.094 2.197 1.00 0.00 C ATOM 872 O GLU A 57 -10.994 5.227 3.367 1.00 0.00 O ATOM 873 CB GLU A 57 -13.323 6.528 2.772 1.00 0.00 C ATOM 874 CG GLU A 57 -14.633 7.148 2.315 1.00 0.00 C ATOM 875 CD GLU A 57 -15.195 8.133 3.322 1.00 0.00 C ATOM 876 OE1 GLU A 57 -14.682 8.174 4.460 1.00 0.00 O ATOM 877 OE2 GLU A 57 -16.146 8.862 2.972 1.00 0.00 O ATOM 0 H GLU A 57 -13.780 4.336 1.199 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.065 6.749 1.043 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.536 5.745 3.499 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.731 7.286 3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.478 7.656 1.363 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -15.363 6.358 2.139 1.00 0.00 H new ATOM 884 N ILE A 58 -10.794 4.228 1.361 1.00 0.00 N ATOM 885 CA ILE A 58 -9.695 3.365 1.778 1.00 0.00 C ATOM 886 C ILE A 58 -8.373 3.830 1.179 1.00 0.00 C ATOM 887 O ILE A 58 -8.158 3.731 -0.029 1.00 0.00 O ATOM 888 CB ILE A 58 -9.944 1.901 1.372 1.00 0.00 C ATOM 889 CG1 ILE A 58 -11.283 1.414 1.930 1.00 0.00 C ATOM 890 CG2 ILE A 58 -8.807 1.015 1.859 1.00 0.00 C ATOM 891 CD1 ILE A 58 -11.337 1.399 3.442 1.00 0.00 C ATOM 0 H ILE A 58 -11.082 4.105 0.390 1.00 0.00 H new ATOM 0 HA ILE A 58 -9.640 3.427 2.865 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.983 1.843 0.284 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.080 2.055 1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -11.479 0.409 1.557 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.998 -0.017 1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.869 1.351 1.417 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.738 1.075 2.945 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -12.314 1.043 3.768 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.563 0.736 3.827 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -11.173 2.407 3.822 1.00 0.00 H new ATOM 903 N MET A 59 -7.488 4.336 2.032 1.00 0.00 N ATOM 904 CA MET A 59 -6.184 4.813 1.587 1.00 0.00 C ATOM 905 C MET A 59 -5.212 4.911 2.758 1.00 0.00 C ATOM 906 O MET A 59 -4.787 5.997 3.154 1.00 0.00 O ATOM 907 CB MET A 59 -6.321 6.177 0.907 1.00 0.00 C ATOM 908 CG MET A 59 -7.549 6.956 1.350 1.00 0.00 C ATOM 909 SD MET A 59 -7.514 7.369 3.105 1.00 0.00 S ATOM 910 CE MET A 59 -7.553 9.158 3.033 1.00 0.00 C ATOM 0 H MET A 59 -7.650 4.426 3.035 1.00 0.00 H new ATOM 0 HA MET A 59 -5.788 4.095 0.869 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.430 6.769 1.116 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.362 6.033 -0.173 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.622 7.874 0.766 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.443 6.370 1.136 1.00 0.00 H new ATOM 0 HE1 MET A 59 -7.536 9.563 4.045 1.00 0.00 H new ATOM 0 HE2 MET A 59 -6.684 9.519 2.483 1.00 0.00 H new ATOM 0 HE3 MET A 59 -8.463 9.482 2.527 1.00 0.00 H new ATOM 920 N PRO A 60 -4.850 3.751 3.326 1.00 0.00 N ATOM 921 CA PRO A 60 -3.923 3.680 4.460 1.00 0.00 C ATOM 922 C PRO A 60 -2.496 4.046 4.066 1.00 0.00 C ATOM 923 O PRO A 60 -1.790 4.721 4.814 1.00 0.00 O ATOM 924 CB PRO A 60 -4.000 2.213 4.890 1.00 0.00 C ATOM 925 CG PRO A 60 -4.419 1.480 3.662 1.00 0.00 C ATOM 926 CD PRO A 60 -5.316 2.420 2.905 1.00 0.00 C ATOM 0 HA PRO A 60 -4.189 4.384 5.249 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.037 1.856 5.255 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.718 2.074 5.698 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.554 1.198 3.062 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.944 0.560 3.917 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.223 2.284 1.828 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.365 2.264 3.156 1.00 0.00 H new ATOM 934 N GLU A 61 -2.078 3.596 2.887 1.00 0.00 N ATOM 935 CA GLU A 61 -0.734 3.876 2.396 1.00 0.00 C ATOM 936 C GLU A 61 -0.774 4.356 0.947 1.00 0.00 C ATOM 937 O GLU A 61 0.192 4.193 0.202 1.00 0.00 O ATOM 938 CB GLU A 61 0.144 2.628 2.507 1.00 0.00 C ATOM 939 CG GLU A 61 0.626 2.348 3.921 1.00 0.00 C ATOM 940 CD GLU A 61 1.724 3.296 4.362 1.00 0.00 C ATOM 941 OE1 GLU A 61 2.796 3.301 3.721 1.00 0.00 O ATOM 942 OE2 GLU A 61 1.511 4.034 5.347 1.00 0.00 O ATOM 0 H GLU A 61 -2.650 3.036 2.255 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.307 4.667 3.012 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.417 1.766 2.146 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.009 2.743 1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.215 2.427 4.610 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.991 1.323 3.980 1.00 0.00 H new ATOM 949 N ASP A 62 -1.898 4.946 0.557 1.00 0.00 N ATOM 950 CA ASP A 62 -2.065 5.450 -0.801 1.00 0.00 C ATOM 951 C ASP A 62 -1.125 6.623 -1.065 1.00 0.00 C ATOM 952 O ASP A 62 -1.223 7.668 -0.422 1.00 0.00 O ATOM 953 CB ASP A 62 -3.514 5.880 -1.035 1.00 0.00 C ATOM 954 CG ASP A 62 -4.420 4.708 -1.358 1.00 0.00 C ATOM 955 OD1 ASP A 62 -4.121 3.583 -0.904 1.00 0.00 O ATOM 956 OD2 ASP A 62 -5.428 4.916 -2.065 1.00 0.00 O ATOM 0 H ASP A 62 -2.707 5.087 1.162 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.817 4.645 -1.493 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.887 6.390 -0.147 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.549 6.599 -1.853 1.00 0.00 H new ATOM 961 N LYS A 63 -0.213 6.442 -2.014 1.00 0.00 N ATOM 962 CA LYS A 63 0.745 7.484 -2.364 1.00 0.00 C ATOM 963 C LYS A 63 0.397 8.113 -3.709 1.00 0.00 C ATOM 964 O LYS A 63 -0.264 7.495 -4.544 1.00 0.00 O ATOM 965 CB LYS A 63 2.162 6.908 -2.410 1.00 0.00 C ATOM 966 CG LYS A 63 2.886 6.967 -1.076 1.00 0.00 C ATOM 967 CD LYS A 63 4.058 6.002 -1.034 1.00 0.00 C ATOM 968 CE LYS A 63 5.249 6.535 -1.815 1.00 0.00 C ATOM 969 NZ LYS A 63 6.531 5.942 -1.347 1.00 0.00 N ATOM 0 H LYS A 63 -0.117 5.583 -2.555 1.00 0.00 H new ATOM 0 HA LYS A 63 0.699 8.258 -1.598 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.113 5.871 -2.742 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.743 7.453 -3.154 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.243 7.982 -0.899 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.189 6.730 -0.272 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.350 5.828 0.002 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.753 5.040 -1.446 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.114 6.318 -2.875 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.293 7.619 -1.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.318 6.331 -1.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.673 6.170 -0.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.500 4.909 -1.466 1.00 0.00 H new ATOM 983 N THR A 64 0.849 9.347 -3.915 1.00 0.00 N ATOM 984 CA THR A 64 0.586 10.059 -5.159 1.00 0.00 C ATOM 985 C THR A 64 1.520 9.592 -6.269 1.00 0.00 C ATOM 986 O THR A 64 2.739 9.735 -6.170 1.00 0.00 O ATOM 987 CB THR A 64 0.743 11.581 -4.978 1.00 0.00 C ATOM 988 OG1 THR A 64 0.267 11.973 -3.686 1.00 0.00 O ATOM 989 CG2 THR A 64 -0.021 12.336 -6.056 1.00 0.00 C ATOM 0 H THR A 64 1.399 9.873 -3.236 1.00 0.00 H new ATOM 0 HA THR A 64 -0.444 9.837 -5.438 1.00 0.00 H new ATOM 0 HB THR A 64 1.801 11.827 -5.065 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.372 12.941 -3.579 1.00 0.00 H new ATOM 0 HG21 THR A 64 0.105 13.409 -5.908 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.364 12.058 -7.037 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.080 12.083 -5.997 1.00 0.00 H new ATOM 997 N VAL A 65 0.941 9.031 -7.326 1.00 0.00 N ATOM 998 CA VAL A 65 1.722 8.543 -8.456 1.00 0.00 C ATOM 999 C VAL A 65 1.751 9.566 -9.587 1.00 0.00 C ATOM 1000 O VAL A 65 2.669 9.577 -10.405 1.00 0.00 O ATOM 1001 CB VAL A 65 1.161 7.214 -8.995 1.00 0.00 C ATOM 1002 CG1 VAL A 65 -0.211 7.427 -9.616 1.00 0.00 C ATOM 1003 CG2 VAL A 65 2.121 6.600 -10.002 1.00 0.00 C ATOM 0 H VAL A 65 -0.066 8.903 -7.423 1.00 0.00 H new ATOM 0 HA VAL A 65 2.736 8.379 -8.092 1.00 0.00 H new ATOM 0 HB VAL A 65 1.053 6.520 -8.161 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.592 6.477 -9.992 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.894 7.820 -8.863 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.132 8.137 -10.439 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.709 5.662 -10.372 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.263 7.288 -10.835 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.080 6.410 -9.521 1.00 0.00 H new ATOM 1013 N GLY A 66 0.738 10.426 -9.625 1.00 0.00 N ATOM 1014 CA GLY A 66 0.666 11.442 -10.659 1.00 0.00 C ATOM 1015 C GLY A 66 -0.638 12.215 -10.623 1.00 0.00 C ATOM 1016 O GLY A 66 -1.626 11.753 -10.052 1.00 0.00 O ATOM 0 H GLY A 66 -0.034 10.437 -8.958 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.499 12.135 -10.542 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.779 10.971 -11.635 1.00 0.00 H new ATOM 1020 N PHE A 67 -0.640 13.396 -11.232 1.00 0.00 N ATOM 1021 CA PHE A 67 -1.831 14.237 -11.265 1.00 0.00 C ATOM 1022 C PHE A 67 -1.983 14.912 -12.625 1.00 0.00 C ATOM 1023 O PHE A 67 -0.996 15.294 -13.254 1.00 0.00 O ATOM 1024 CB PHE A 67 -1.765 15.295 -10.161 1.00 0.00 C ATOM 1025 CG PHE A 67 -0.617 16.250 -10.315 1.00 0.00 C ATOM 1026 CD1 PHE A 67 -0.736 17.374 -11.117 1.00 0.00 C ATOM 1027 CD2 PHE A 67 0.582 16.025 -9.658 1.00 0.00 C ATOM 1028 CE1 PHE A 67 0.320 18.254 -11.260 1.00 0.00 C ATOM 1029 CE2 PHE A 67 1.641 16.902 -9.798 1.00 0.00 C ATOM 1030 CZ PHE A 67 1.509 18.019 -10.599 1.00 0.00 C ATOM 0 H PHE A 67 0.170 13.792 -11.709 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.700 13.601 -11.097 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.698 15.859 -10.153 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.685 14.796 -9.195 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -1.664 17.564 -11.636 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.690 15.154 -9.029 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.215 19.126 -11.889 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.571 16.714 -9.282 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.334 18.707 -10.708 1.00 0.00 H new ATOM 1040 N VAL A 68 -3.227 15.056 -13.072 1.00 0.00 N ATOM 1041 CA VAL A 68 -3.509 15.686 -14.356 1.00 0.00 C ATOM 1042 C VAL A 68 -4.597 16.746 -14.221 1.00 0.00 C ATOM 1043 O VAL A 68 -5.696 16.465 -13.744 1.00 0.00 O ATOM 1044 CB VAL A 68 -3.947 14.648 -15.406 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -4.301 15.332 -16.718 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -2.855 13.609 -15.615 1.00 0.00 C ATOM 0 H VAL A 68 -4.055 14.745 -12.564 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.584 16.159 -14.687 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.837 14.138 -15.038 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.608 14.583 -17.448 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.118 16.034 -16.553 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.431 15.870 -17.094 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.181 12.883 -16.360 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.946 14.101 -15.961 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.655 13.097 -14.674 1.00 0.00 H new ATOM 1056 N VAL A 69 -4.282 17.966 -14.645 1.00 0.00 N ATOM 1057 CA VAL A 69 -5.233 19.069 -14.573 1.00 0.00 C ATOM 1058 C VAL A 69 -5.901 19.307 -15.923 1.00 0.00 C ATOM 1059 O VAL A 69 -5.231 19.575 -16.920 1.00 0.00 O ATOM 1060 CB VAL A 69 -4.550 20.370 -14.114 1.00 0.00 C ATOM 1061 CG1 VAL A 69 -5.584 21.456 -13.859 1.00 0.00 C ATOM 1062 CG2 VAL A 69 -3.710 20.120 -12.870 1.00 0.00 C ATOM 0 H VAL A 69 -3.376 18.215 -15.042 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.990 18.787 -13.841 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.888 20.712 -14.910 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.082 22.368 -13.535 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.138 21.653 -14.777 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.274 21.126 -13.082 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.234 21.050 -12.559 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.349 19.753 -12.067 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.944 19.377 -13.092 1.00 0.00 H new ATOM 1072 N VAL A 70 -7.226 19.209 -15.947 1.00 0.00 N ATOM 1073 CA VAL A 70 -7.986 19.416 -17.174 1.00 0.00 C ATOM 1074 C VAL A 70 -9.059 20.483 -16.983 1.00 0.00 C ATOM 1075 O VAL A 70 -10.036 20.273 -16.266 1.00 0.00 O ATOM 1076 CB VAL A 70 -8.654 18.111 -17.647 1.00 0.00 C ATOM 1077 CG1 VAL A 70 -9.480 18.358 -18.900 1.00 0.00 C ATOM 1078 CG2 VAL A 70 -7.607 17.036 -17.892 1.00 0.00 C ATOM 0 H VAL A 70 -7.796 18.987 -15.130 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.278 19.749 -17.933 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.324 17.761 -16.862 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.944 17.425 -19.219 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.255 19.094 -18.686 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.834 18.732 -19.694 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.096 16.121 -18.226 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.910 17.375 -18.658 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.063 16.840 -16.968 1.00 0.00 H new ATOM 1088 N ASN A 71 -8.868 21.628 -17.630 1.00 0.00 N ATOM 1089 CA ASN A 71 -9.819 22.729 -17.531 1.00 0.00 C ATOM 1090 C ASN A 71 -10.345 23.119 -18.909 1.00 0.00 C ATOM 1091 O ASN A 71 -9.644 23.756 -19.695 1.00 0.00 O ATOM 1092 CB ASN A 71 -9.164 23.939 -16.862 1.00 0.00 C ATOM 1093 CG ASN A 71 -10.116 25.111 -16.724 1.00 0.00 C ATOM 1094 OD1 ASN A 71 -11.298 25.006 -17.054 1.00 0.00 O ATOM 1095 ND2 ASN A 71 -9.605 26.235 -16.236 1.00 0.00 N ATOM 0 H ASN A 71 -8.064 21.818 -18.228 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.659 22.396 -16.921 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.800 23.652 -15.875 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.296 24.247 -17.445 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.198 27.057 -16.121 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.620 26.276 -15.976 1.00 0.00 H new ATOM 1102 N ALA A 72 -11.584 22.733 -19.195 1.00 0.00 N ATOM 1103 CA ALA A 72 -12.205 23.044 -20.476 1.00 0.00 C ATOM 1104 C ALA A 72 -12.459 24.541 -20.614 1.00 0.00 C ATOM 1105 O ALA A 72 -12.288 25.114 -21.690 1.00 0.00 O ATOM 1106 CB ALA A 72 -13.505 22.269 -20.635 1.00 0.00 C ATOM 0 H ALA A 72 -12.178 22.204 -18.556 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.517 22.744 -21.267 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.958 22.511 -21.596 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.299 21.200 -20.590 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.191 22.540 -19.832 1.00 0.00 H new ATOM 1112 N ASP A 73 -12.869 25.170 -19.518 1.00 0.00 N ATOM 1113 CA ASP A 73 -13.147 26.602 -19.516 1.00 0.00 C ATOM 1114 C ASP A 73 -11.962 27.386 -20.070 1.00 0.00 C ATOM 1115 O ASP A 73 -12.111 28.192 -20.989 1.00 0.00 O ATOM 1116 CB ASP A 73 -13.472 27.078 -18.100 1.00 0.00 C ATOM 1117 CG ASP A 73 -13.955 28.515 -18.069 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -13.986 29.154 -19.141 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -14.303 29.000 -16.972 1.00 0.00 O ATOM 0 H ASP A 73 -13.016 24.711 -18.619 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.010 26.781 -20.158 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.236 26.431 -17.669 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.584 26.983 -17.475 1.00 0.00 H new ATOM 1124 N LYS A 74 -10.783 27.145 -19.506 1.00 0.00 N ATOM 1125 CA LYS A 74 -9.571 27.827 -19.942 1.00 0.00 C ATOM 1126 C LYS A 74 -8.762 26.947 -20.889 1.00 0.00 C ATOM 1127 O LYS A 74 -7.584 27.205 -21.139 1.00 0.00 O ATOM 1128 CB LYS A 74 -8.716 28.216 -18.734 1.00 0.00 C ATOM 1129 CG LYS A 74 -9.398 29.199 -17.797 1.00 0.00 C ATOM 1130 CD LYS A 74 -9.297 30.624 -18.315 1.00 0.00 C ATOM 1131 CE LYS A 74 -10.375 31.512 -17.715 1.00 0.00 C ATOM 1132 NZ LYS A 74 -9.932 32.136 -16.437 1.00 0.00 N ATOM 0 H LYS A 74 -10.642 26.481 -18.745 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.865 28.730 -20.476 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.458 27.315 -18.177 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.781 28.652 -19.086 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.447 28.926 -17.682 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.943 29.137 -16.809 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.314 31.031 -18.076 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.386 30.625 -19.401 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.640 32.293 -18.428 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.275 30.922 -17.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.695 32.734 -16.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.703 31.391 -15.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.088 32.719 -16.610 1.00 0.00 H new ATOM 1146 N LYS A 75 -9.401 25.906 -21.413 1.00 0.00 N ATOM 1147 CA LYS A 75 -8.742 24.988 -22.335 1.00 0.00 C ATOM 1148 C LYS A 75 -7.299 24.735 -21.911 1.00 0.00 C ATOM 1149 O LYS A 75 -6.367 24.933 -22.692 1.00 0.00 O ATOM 1150 CB LYS A 75 -8.775 25.550 -23.758 1.00 0.00 C ATOM 1151 CG LYS A 75 -8.174 26.940 -23.877 1.00 0.00 C ATOM 1152 CD LYS A 75 -8.163 27.421 -25.319 1.00 0.00 C ATOM 1153 CE LYS A 75 -7.729 28.875 -25.418 1.00 0.00 C ATOM 1154 NZ LYS A 75 -6.271 29.038 -25.164 1.00 0.00 N ATOM 0 H LYS A 75 -10.375 25.677 -21.215 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.281 24.041 -22.313 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.236 24.872 -24.420 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.808 25.579 -24.104 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.744 27.638 -23.264 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.156 26.932 -23.487 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.488 26.798 -25.906 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.158 27.307 -25.749 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.970 29.259 -26.409 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.292 29.471 -24.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.015 30.043 -25.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.045 28.695 -24.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.733 28.490 -25.865 1.00 0.00 H new ATOM 1168 N LEU A 76 -7.120 24.294 -20.670 1.00 0.00 N ATOM 1169 CA LEU A 76 -5.789 24.011 -20.143 1.00 0.00 C ATOM 1170 C LEU A 76 -5.603 22.516 -19.909 1.00 0.00 C ATOM 1171 O LEU A 76 -6.498 21.841 -19.401 1.00 0.00 O ATOM 1172 CB LEU A 76 -5.564 24.776 -18.838 1.00 0.00 C ATOM 1173 CG LEU A 76 -5.778 26.289 -18.900 1.00 0.00 C ATOM 1174 CD1 LEU A 76 -5.444 26.931 -17.562 1.00 0.00 C ATOM 1175 CD2 LEU A 76 -4.939 26.901 -20.012 1.00 0.00 C ATOM 0 H LEU A 76 -7.879 24.125 -20.010 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.055 24.338 -20.880 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.232 24.366 -18.080 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.545 24.587 -18.501 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.829 26.479 -19.118 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.602 28.008 -17.625 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.088 26.515 -16.788 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.402 26.732 -17.313 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.104 27.978 -20.041 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.884 26.700 -19.824 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.227 26.464 -20.968 1.00 0.00 H new ATOM 1187 N MET A 77 -4.434 22.005 -20.280 1.00 0.00 N ATOM 1188 CA MET A 77 -4.129 20.589 -20.107 1.00 0.00 C ATOM 1189 C MET A 77 -2.732 20.401 -19.524 1.00 0.00 C ATOM 1190 O MET A 77 -1.741 20.830 -20.113 1.00 0.00 O ATOM 1191 CB MET A 77 -4.239 19.855 -21.445 1.00 0.00 C ATOM 1192 CG MET A 77 -5.669 19.705 -21.940 1.00 0.00 C ATOM 1193 SD MET A 77 -6.247 21.157 -22.840 1.00 0.00 S ATOM 1194 CE MET A 77 -5.088 21.193 -24.205 1.00 0.00 C ATOM 0 H MET A 77 -3.682 22.550 -20.702 1.00 0.00 H new ATOM 0 HA MET A 77 -4.854 20.169 -19.410 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.658 20.393 -22.194 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.792 18.866 -21.345 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.736 18.831 -22.587 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.327 19.523 -21.090 1.00 0.00 H new ATOM 0 HE1 MET A 77 -4.550 22.141 -24.200 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.378 20.372 -24.101 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.630 21.088 -25.145 1.00 0.00 H new ATOM 1204 N SER A 78 -2.662 19.758 -18.363 1.00 0.00 N ATOM 1205 CA SER A 78 -1.387 19.517 -17.698 1.00 0.00 C ATOM 1206 C SER A 78 -1.321 18.096 -17.147 1.00 0.00 C ATOM 1207 O SER A 78 -2.177 17.680 -16.365 1.00 0.00 O ATOM 1208 CB SER A 78 -1.179 20.525 -16.566 1.00 0.00 C ATOM 1209 OG SER A 78 -1.691 21.799 -16.918 1.00 0.00 O ATOM 0 H SER A 78 -3.473 19.394 -17.863 1.00 0.00 H new ATOM 0 HA SER A 78 -0.593 19.640 -18.435 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.672 20.168 -15.662 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.116 20.607 -16.338 1.00 0.00 H new ATOM 0 HG SER A 78 -1.547 22.425 -16.178 1.00 0.00 H new ATOM 1215 N VAL A 79 -0.299 17.354 -17.561 1.00 0.00 N ATOM 1216 CA VAL A 79 -0.119 15.979 -17.109 1.00 0.00 C ATOM 1217 C VAL A 79 1.160 15.832 -16.294 1.00 0.00 C ATOM 1218 O VAL A 79 2.230 16.276 -16.712 1.00 0.00 O ATOM 1219 CB VAL A 79 -0.074 14.999 -18.296 1.00 0.00 C ATOM 1220 CG1 VAL A 79 -1.375 15.054 -19.084 1.00 0.00 C ATOM 1221 CG2 VAL A 79 1.115 15.305 -19.194 1.00 0.00 C ATOM 0 H VAL A 79 0.417 17.682 -18.209 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.977 15.738 -16.481 1.00 0.00 H new ATOM 0 HB VAL A 79 0.044 13.988 -17.906 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.325 14.355 -19.919 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.206 14.783 -18.433 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.527 16.064 -19.465 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.132 14.603 -20.028 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.029 16.322 -19.577 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.038 15.210 -18.621 1.00 0.00 H new ATOM 1231 N SER A 80 1.044 15.204 -15.128 1.00 0.00 N ATOM 1232 CA SER A 80 2.191 15.000 -14.251 1.00 0.00 C ATOM 1233 C SER A 80 2.284 13.544 -13.808 1.00 0.00 C ATOM 1234 O SER A 80 1.619 13.128 -12.858 1.00 0.00 O ATOM 1235 CB SER A 80 2.093 15.913 -13.027 1.00 0.00 C ATOM 1236 OG SER A 80 2.222 17.275 -13.395 1.00 0.00 O ATOM 0 H SER A 80 0.167 14.828 -14.769 1.00 0.00 H new ATOM 0 HA SER A 80 3.093 15.249 -14.810 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.136 15.757 -12.529 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.872 15.651 -12.311 1.00 0.00 H new ATOM 0 HG SER A 80 1.836 17.841 -12.695 1.00 0.00 H new ATOM 1242 N PHE A 81 3.113 12.772 -14.502 1.00 0.00 N ATOM 1243 CA PHE A 81 3.293 11.361 -14.182 1.00 0.00 C ATOM 1244 C PHE A 81 4.571 11.144 -13.377 1.00 0.00 C ATOM 1245 O PHE A 81 5.618 11.713 -13.688 1.00 0.00 O ATOM 1246 CB PHE A 81 3.337 10.526 -15.464 1.00 0.00 C ATOM 1247 CG PHE A 81 1.981 10.245 -16.043 1.00 0.00 C ATOM 1248 CD1 PHE A 81 1.132 11.283 -16.391 1.00 0.00 C ATOM 1249 CD2 PHE A 81 1.553 8.941 -16.238 1.00 0.00 C ATOM 1250 CE1 PHE A 81 -0.117 11.028 -16.925 1.00 0.00 C ATOM 1251 CE2 PHE A 81 0.305 8.680 -16.772 1.00 0.00 C ATOM 1252 CZ PHE A 81 -0.531 9.724 -17.114 1.00 0.00 C ATOM 0 H PHE A 81 3.671 13.100 -15.290 1.00 0.00 H new ATOM 0 HA PHE A 81 2.445 11.041 -13.577 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.940 11.048 -16.207 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.837 9.580 -15.255 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.450 12.304 -16.243 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.202 8.120 -15.970 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -0.768 11.847 -17.194 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.016 7.660 -16.922 1.00 0.00 H new ATOM 0 HZ PHE A 81 -1.507 9.521 -17.529 1.00 0.00 H new ATOM 1262 N SER A 82 4.477 10.319 -12.339 1.00 0.00 N ATOM 1263 CA SER A 82 5.624 10.031 -11.485 1.00 0.00 C ATOM 1264 C SER A 82 5.788 8.527 -11.286 1.00 0.00 C ATOM 1265 O SER A 82 4.830 7.824 -10.967 1.00 0.00 O ATOM 1266 CB SER A 82 5.464 10.722 -10.129 1.00 0.00 C ATOM 1267 OG SER A 82 5.086 12.078 -10.290 1.00 0.00 O ATOM 0 H SER A 82 3.619 9.838 -12.069 1.00 0.00 H new ATOM 0 HA SER A 82 6.518 10.415 -11.977 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.712 10.199 -9.537 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.401 10.666 -9.576 1.00 0.00 H new ATOM 0 HG SER A 82 4.988 12.497 -9.410 1.00 0.00 H new ATOM 1273 N ASP A 83 7.010 8.042 -11.477 1.00 0.00 N ATOM 1274 CA ASP A 83 7.302 6.622 -11.318 1.00 0.00 C ATOM 1275 C ASP A 83 6.530 5.791 -12.338 1.00 0.00 C ATOM 1276 O ASP A 83 5.706 4.952 -11.973 1.00 0.00 O ATOM 1277 CB ASP A 83 6.956 6.164 -9.901 1.00 0.00 C ATOM 1278 CG ASP A 83 7.315 7.200 -8.853 1.00 0.00 C ATOM 1279 OD1 ASP A 83 8.521 7.470 -8.675 1.00 0.00 O ATOM 1280 OD2 ASP A 83 6.390 7.740 -8.212 1.00 0.00 O ATOM 0 H ASP A 83 7.814 8.611 -11.742 1.00 0.00 H new ATOM 0 HA ASP A 83 8.368 6.474 -11.489 1.00 0.00 H new ATOM 0 HB2 ASP A 83 5.889 5.947 -9.843 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.482 5.235 -9.684 1.00 0.00 H new ATOM 1285 N ILE A 84 6.801 6.031 -13.616 1.00 0.00 N ATOM 1286 CA ILE A 84 6.132 5.304 -14.688 1.00 0.00 C ATOM 1287 C ILE A 84 7.142 4.691 -15.651 1.00 0.00 C ATOM 1288 O ILE A 84 8.347 4.913 -15.527 1.00 0.00 O ATOM 1289 CB ILE A 84 5.177 6.219 -15.478 1.00 0.00 C ATOM 1290 CG1 ILE A 84 5.917 7.467 -15.963 1.00 0.00 C ATOM 1291 CG2 ILE A 84 3.983 6.606 -14.619 1.00 0.00 C ATOM 1292 CD1 ILE A 84 5.384 8.017 -17.268 1.00 0.00 C ATOM 0 H ILE A 84 7.479 6.723 -13.935 1.00 0.00 H new ATOM 0 HA ILE A 84 5.554 4.509 -14.217 1.00 0.00 H new ATOM 0 HB ILE A 84 4.812 5.674 -16.349 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.849 8.240 -15.198 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.974 7.229 -16.083 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.318 7.252 -15.191 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.445 5.707 -14.318 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.330 7.136 -13.732 1.00 0.00 H new ATOM 0 HD11 ILE A 84 5.956 8.901 -17.551 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.477 7.260 -18.047 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.335 8.287 -17.148 1.00 0.00 H new ATOM 1304 N ASP A 85 6.644 3.920 -16.611 1.00 0.00 N ATOM 1305 CA ASP A 85 7.503 3.276 -17.598 1.00 0.00 C ATOM 1306 C ASP A 85 7.774 4.210 -18.774 1.00 0.00 C ATOM 1307 O ASP A 85 7.034 5.166 -19.002 1.00 0.00 O ATOM 1308 CB ASP A 85 6.860 1.981 -18.097 1.00 0.00 C ATOM 1309 CG ASP A 85 6.122 1.240 -17.000 1.00 0.00 C ATOM 1310 OD1 ASP A 85 4.966 1.612 -16.707 1.00 0.00 O ATOM 1311 OD2 ASP A 85 6.700 0.289 -16.434 1.00 0.00 O ATOM 0 H ASP A 85 5.649 3.726 -16.727 1.00 0.00 H new ATOM 0 HA ASP A 85 8.453 3.040 -17.118 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.166 2.212 -18.906 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.631 1.333 -18.514 1.00 0.00 H new ATOM 1316 N GLU A 86 8.841 3.925 -19.515 1.00 0.00 N ATOM 1317 CA GLU A 86 9.210 4.741 -20.665 1.00 0.00 C ATOM 1318 C GLU A 86 8.280 4.471 -21.845 1.00 0.00 C ATOM 1319 O GLU A 86 7.877 5.392 -22.554 1.00 0.00 O ATOM 1320 CB GLU A 86 10.659 4.465 -21.071 1.00 0.00 C ATOM 1321 CG GLU A 86 10.924 3.013 -21.433 1.00 0.00 C ATOM 1322 CD GLU A 86 12.394 2.729 -21.669 1.00 0.00 C ATOM 1323 OE1 GLU A 86 13.172 2.773 -20.694 1.00 0.00 O ATOM 1324 OE2 GLU A 86 12.767 2.462 -22.831 1.00 0.00 O ATOM 0 H GLU A 86 9.464 3.136 -19.339 1.00 0.00 H new ATOM 0 HA GLU A 86 9.113 5.789 -20.380 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.915 5.095 -21.922 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.318 4.752 -20.252 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.558 2.370 -20.632 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.360 2.757 -22.330 1.00 0.00 H new ATOM 1331 N ASN A 87 7.945 3.201 -22.048 1.00 0.00 N ATOM 1332 CA ASN A 87 7.064 2.809 -23.142 1.00 0.00 C ATOM 1333 C ASN A 87 5.699 3.478 -23.008 1.00 0.00 C ATOM 1334 O ASN A 87 5.213 4.111 -23.944 1.00 0.00 O ATOM 1335 CB ASN A 87 6.899 1.288 -23.171 1.00 0.00 C ATOM 1336 CG ASN A 87 6.592 0.766 -24.561 1.00 0.00 C ATOM 1337 OD1 ASN A 87 5.535 0.181 -24.797 1.00 0.00 O ATOM 1338 ND2 ASN A 87 7.518 0.977 -25.490 1.00 0.00 N ATOM 0 H ASN A 87 8.270 2.426 -21.470 1.00 0.00 H new ATOM 0 HA ASN A 87 7.519 3.136 -24.077 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.812 0.819 -22.803 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.097 0.999 -22.492 1.00 0.00 H new ATOM 0 HD21 ASN A 87 7.367 0.649 -26.444 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.380 1.467 -25.249 1.00 0.00 H new ATOM 1345 N MET A 88 5.087 3.332 -21.837 1.00 0.00 N ATOM 1346 CA MET A 88 3.779 3.923 -21.580 1.00 0.00 C ATOM 1347 C MET A 88 3.812 5.432 -21.799 1.00 0.00 C ATOM 1348 O MET A 88 2.802 6.041 -22.152 1.00 0.00 O ATOM 1349 CB MET A 88 3.328 3.614 -20.151 1.00 0.00 C ATOM 1350 CG MET A 88 1.819 3.526 -19.996 1.00 0.00 C ATOM 1351 SD MET A 88 1.319 2.388 -18.689 1.00 0.00 S ATOM 1352 CE MET A 88 0.101 1.397 -19.550 1.00 0.00 C ATOM 0 H MET A 88 5.476 2.810 -21.052 1.00 0.00 H new ATOM 0 HA MET A 88 3.067 3.487 -22.281 1.00 0.00 H new ATOM 0 HB2 MET A 88 3.773 2.671 -19.834 1.00 0.00 H new ATOM 0 HB3 MET A 88 3.709 4.387 -19.483 1.00 0.00 H new ATOM 0 HG2 MET A 88 1.422 4.518 -19.780 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.379 3.205 -20.940 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.011 0.426 -19.063 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.863 1.905 -19.527 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.412 1.256 -20.585 1.00 0.00 H new ATOM 1362 N LYS A 89 4.980 6.031 -21.589 1.00 0.00 N ATOM 1363 CA LYS A 89 5.145 7.469 -21.764 1.00 0.00 C ATOM 1364 C LYS A 89 4.772 7.890 -23.182 1.00 0.00 C ATOM 1365 O LYS A 89 4.161 8.939 -23.388 1.00 0.00 O ATOM 1366 CB LYS A 89 6.589 7.877 -21.462 1.00 0.00 C ATOM 1367 CG LYS A 89 6.745 9.348 -21.117 1.00 0.00 C ATOM 1368 CD LYS A 89 8.202 9.715 -20.888 1.00 0.00 C ATOM 1369 CE LYS A 89 8.475 11.166 -21.251 1.00 0.00 C ATOM 1370 NZ LYS A 89 8.169 12.088 -20.122 1.00 0.00 N ATOM 0 H LYS A 89 5.826 5.542 -21.297 1.00 0.00 H new ATOM 0 HA LYS A 89 4.477 7.975 -21.066 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.962 7.276 -20.632 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.211 7.647 -22.327 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.338 9.957 -21.924 1.00 0.00 H new ATOM 0 HG3 LYS A 89 6.166 9.576 -20.222 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.461 9.545 -19.843 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.840 9.063 -21.484 1.00 0.00 H new ATOM 0 HE2 LYS A 89 9.521 11.278 -21.538 1.00 0.00 H new ATOM 0 HE3 LYS A 89 7.875 11.442 -22.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 8.693 12.977 -20.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 7.148 12.288 -20.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 8.451 11.644 -19.225 1.00 0.00 H new ATOM 1384 N LYS A 90 5.143 7.066 -24.156 1.00 0.00 N ATOM 1385 CA LYS A 90 4.846 7.351 -25.555 1.00 0.00 C ATOM 1386 C LYS A 90 3.342 7.484 -25.775 1.00 0.00 C ATOM 1387 O LYS A 90 2.867 8.497 -26.290 1.00 0.00 O ATOM 1388 CB LYS A 90 5.407 6.247 -26.452 1.00 0.00 C ATOM 1389 CG LYS A 90 5.053 6.417 -27.920 1.00 0.00 C ATOM 1390 CD LYS A 90 5.740 7.631 -28.522 1.00 0.00 C ATOM 1391 CE LYS A 90 7.182 7.328 -28.896 1.00 0.00 C ATOM 1392 NZ LYS A 90 8.109 7.536 -27.749 1.00 0.00 N ATOM 0 H LYS A 90 5.650 6.195 -24.002 1.00 0.00 H new ATOM 0 HA LYS A 90 5.319 8.298 -25.816 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.492 6.223 -26.349 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.032 5.284 -26.106 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.344 5.523 -28.471 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.973 6.519 -28.025 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.194 7.957 -29.407 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.714 8.456 -27.810 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.258 6.297 -29.242 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.483 7.966 -29.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.881 8.170 -28.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.589 7.962 -26.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.505 6.621 -27.452 1.00 0.00 H new ATOM 1406 N VAL A 91 2.597 6.457 -25.380 1.00 0.00 N ATOM 1407 CA VAL A 91 1.147 6.460 -25.531 1.00 0.00 C ATOM 1408 C VAL A 91 0.519 7.631 -24.784 1.00 0.00 C ATOM 1409 O VAL A 91 -0.216 8.429 -25.366 1.00 0.00 O ATOM 1410 CB VAL A 91 0.526 5.146 -25.020 1.00 0.00 C ATOM 1411 CG1 VAL A 91 -0.971 5.125 -25.285 1.00 0.00 C ATOM 1412 CG2 VAL A 91 1.207 3.949 -25.666 1.00 0.00 C ATOM 0 H VAL A 91 2.974 5.611 -24.952 1.00 0.00 H new ATOM 0 HA VAL A 91 0.940 6.560 -26.597 1.00 0.00 H new ATOM 0 HB VAL A 91 0.681 5.086 -23.943 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.392 4.189 -24.917 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.443 5.962 -24.771 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.152 5.208 -26.357 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.756 3.029 -25.294 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.085 4.001 -26.748 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.269 3.958 -25.420 1.00 0.00 H new ATOM 1422 N ILE A 92 0.814 7.728 -23.492 1.00 0.00 N ATOM 1423 CA ILE A 92 0.280 8.802 -22.665 1.00 0.00 C ATOM 1424 C ILE A 92 0.605 10.168 -23.261 1.00 0.00 C ATOM 1425 O ILE A 92 -0.215 11.086 -23.224 1.00 0.00 O ATOM 1426 CB ILE A 92 0.832 8.736 -21.229 1.00 0.00 C ATOM 1427 CG1 ILE A 92 0.522 7.375 -20.602 1.00 0.00 C ATOM 1428 CG2 ILE A 92 0.250 9.860 -20.385 1.00 0.00 C ATOM 1429 CD1 ILE A 92 1.330 7.086 -19.357 1.00 0.00 C ATOM 0 H ILE A 92 1.420 7.075 -22.995 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.801 8.669 -22.635 1.00 0.00 H new ATOM 0 HB ILE A 92 1.914 8.860 -21.266 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.539 7.331 -20.355 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.711 6.593 -21.338 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.650 9.800 -19.373 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.518 10.821 -20.824 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.835 9.766 -20.352 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.058 6.105 -18.966 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.392 7.098 -19.602 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.123 7.846 -18.604 1.00 0.00 H new ATOM 1441 N LYS A 93 1.808 10.296 -23.812 1.00 0.00 N ATOM 1442 CA LYS A 93 2.243 11.548 -24.419 1.00 0.00 C ATOM 1443 C LYS A 93 1.407 11.873 -25.653 1.00 0.00 C ATOM 1444 O LYS A 93 1.003 13.017 -25.856 1.00 0.00 O ATOM 1445 CB LYS A 93 3.723 11.467 -24.799 1.00 0.00 C ATOM 1446 CG LYS A 93 4.291 12.778 -25.314 1.00 0.00 C ATOM 1447 CD LYS A 93 5.809 12.794 -25.242 1.00 0.00 C ATOM 1448 CE LYS A 93 6.432 12.187 -26.490 1.00 0.00 C ATOM 1449 NZ LYS A 93 6.359 13.114 -27.653 1.00 0.00 N ATOM 0 H LYS A 93 2.499 9.547 -23.850 1.00 0.00 H new ATOM 0 HA LYS A 93 2.105 12.345 -23.688 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.296 11.149 -23.928 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.852 10.700 -25.563 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.973 12.933 -26.345 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.889 13.605 -24.728 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.158 13.820 -25.122 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.139 12.240 -24.363 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.474 11.936 -26.291 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.921 11.256 -26.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 6.951 12.749 -28.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.374 13.187 -27.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.701 14.054 -27.369 1.00 0.00 H new ATOM 1463 N ALA A 94 1.151 10.859 -26.473 1.00 0.00 N ATOM 1464 CA ALA A 94 0.360 11.037 -27.684 1.00 0.00 C ATOM 1465 C ALA A 94 -1.054 11.500 -27.354 1.00 0.00 C ATOM 1466 O ALA A 94 -1.550 12.472 -27.925 1.00 0.00 O ATOM 1467 CB ALA A 94 0.320 9.742 -28.483 1.00 0.00 C ATOM 0 H ALA A 94 1.480 9.906 -26.320 1.00 0.00 H new ATOM 0 HA ALA A 94 0.835 11.810 -28.288 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.274 9.889 -29.385 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.334 9.454 -28.760 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.129 8.955 -27.877 1.00 0.00 H new ATOM 1473 N THR A 95 -1.701 10.799 -26.428 1.00 0.00 N ATOM 1474 CA THR A 95 -3.059 11.137 -26.023 1.00 0.00 C ATOM 1475 C THR A 95 -3.122 12.539 -25.426 1.00 0.00 C ATOM 1476 O THR A 95 -3.966 13.349 -25.808 1.00 0.00 O ATOM 1477 CB THR A 95 -3.607 10.129 -24.995 1.00 0.00 C ATOM 1478 OG1 THR A 95 -3.467 8.795 -25.496 1.00 0.00 O ATOM 1479 CG2 THR A 95 -5.070 10.410 -24.688 1.00 0.00 C ATOM 0 H THR A 95 -1.305 9.993 -25.944 1.00 0.00 H new ATOM 0 HA THR A 95 -3.675 11.099 -26.922 1.00 0.00 H new ATOM 0 HB THR A 95 -3.033 10.234 -24.074 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.816 8.160 -24.836 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.435 9.685 -23.960 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.169 11.416 -24.280 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.656 10.330 -25.604 1.00 0.00 H new ATOM 1487 N ALA A 96 -2.223 12.818 -24.488 1.00 0.00 N ATOM 1488 CA ALA A 96 -2.175 14.123 -23.840 1.00 0.00 C ATOM 1489 C ALA A 96 -1.811 15.217 -24.837 1.00 0.00 C ATOM 1490 O ALA A 96 -2.193 16.375 -24.668 1.00 0.00 O ATOM 1491 CB ALA A 96 -1.181 14.104 -22.688 1.00 0.00 C ATOM 0 H ALA A 96 -1.518 12.158 -24.160 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.167 14.342 -23.446 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.155 15.085 -22.213 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.485 13.355 -21.957 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.189 13.859 -23.067 1.00 0.00 H new ATOM 1497 N GLU A 97 -1.069 14.843 -25.875 1.00 0.00 N ATOM 1498 CA GLU A 97 -0.653 15.796 -26.898 1.00 0.00 C ATOM 1499 C GLU A 97 -1.821 16.163 -27.808 1.00 0.00 C ATOM 1500 O GLU A 97 -1.985 17.321 -28.191 1.00 0.00 O ATOM 1501 CB GLU A 97 0.493 15.215 -27.730 1.00 0.00 C ATOM 1502 CG GLU A 97 0.826 16.037 -28.964 1.00 0.00 C ATOM 1503 CD GLU A 97 2.266 15.867 -29.407 1.00 0.00 C ATOM 1504 OE1 GLU A 97 3.144 16.560 -28.852 1.00 0.00 O ATOM 1505 OE2 GLU A 97 2.515 15.040 -30.309 1.00 0.00 O ATOM 0 H GLU A 97 -0.744 13.889 -26.030 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.308 16.701 -26.397 1.00 0.00 H new ATOM 0 HB2 GLU A 97 1.382 15.138 -27.104 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.231 14.203 -28.038 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.163 15.747 -29.779 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.635 17.090 -28.757 1.00 0.00 H new ATOM 1512 N LYS A 98 -2.631 15.167 -28.151 1.00 0.00 N ATOM 1513 CA LYS A 98 -3.786 15.382 -29.015 1.00 0.00 C ATOM 1514 C LYS A 98 -4.686 16.480 -28.457 1.00 0.00 C ATOM 1515 O LYS A 98 -5.341 17.202 -29.209 1.00 0.00 O ATOM 1516 CB LYS A 98 -4.582 14.085 -29.170 1.00 0.00 C ATOM 1517 CG LYS A 98 -4.296 13.347 -30.467 1.00 0.00 C ATOM 1518 CD LYS A 98 -2.880 12.795 -30.493 1.00 0.00 C ATOM 1519 CE LYS A 98 -2.504 12.293 -31.879 1.00 0.00 C ATOM 1520 NZ LYS A 98 -3.301 11.098 -32.271 1.00 0.00 N ATOM 0 H LYS A 98 -2.509 14.202 -27.844 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.423 15.697 -29.993 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.356 13.428 -28.330 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.647 14.314 -29.119 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.008 12.531 -30.587 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -4.440 14.022 -31.310 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.180 13.571 -30.183 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.792 11.981 -29.774 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.660 13.088 -32.608 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.443 12.045 -31.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.015 10.787 -33.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.133 10.330 -31.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.312 11.341 -32.276 1.00 0.00 H new ATOM 1534 N PHE A 99 -4.712 16.602 -27.134 1.00 0.00 N ATOM 1535 CA PHE A 99 -5.532 17.612 -26.475 1.00 0.00 C ATOM 1536 C PHE A 99 -5.193 19.008 -26.991 1.00 0.00 C ATOM 1537 O PHE A 99 -6.021 19.918 -26.943 1.00 0.00 O ATOM 1538 CB PHE A 99 -5.331 17.554 -24.960 1.00 0.00 C ATOM 1539 CG PHE A 99 -6.301 16.645 -24.261 1.00 0.00 C ATOM 1540 CD1 PHE A 99 -6.036 15.291 -24.136 1.00 0.00 C ATOM 1541 CD2 PHE A 99 -7.479 17.145 -23.730 1.00 0.00 C ATOM 1542 CE1 PHE A 99 -6.927 14.452 -23.493 1.00 0.00 C ATOM 1543 CE2 PHE A 99 -8.373 16.311 -23.086 1.00 0.00 C ATOM 1544 CZ PHE A 99 -8.098 14.963 -22.968 1.00 0.00 C ATOM 0 H PHE A 99 -4.175 16.014 -26.497 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.577 17.402 -26.704 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.315 17.220 -24.749 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.427 18.559 -24.550 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.122 14.886 -24.546 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.701 18.198 -23.820 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.708 13.398 -23.401 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.287 16.714 -22.675 1.00 0.00 H new ATOM 0 HZ PHE A 99 -8.797 14.310 -22.466 1.00 0.00 H new ATOM 1554 N LYS A 100 -3.970 19.169 -27.484 1.00 0.00 N ATOM 1555 CA LYS A 100 -3.519 20.452 -28.010 1.00 0.00 C ATOM 1556 C LYS A 100 -4.312 20.838 -29.255 1.00 0.00 C ATOM 1557 O LYS A 100 -4.273 21.986 -29.696 1.00 0.00 O ATOM 1558 CB LYS A 100 -2.026 20.396 -28.340 1.00 0.00 C ATOM 1559 CG LYS A 100 -1.300 21.709 -28.102 1.00 0.00 C ATOM 1560 CD LYS A 100 -1.066 22.460 -29.402 1.00 0.00 C ATOM 1561 CE LYS A 100 -0.034 21.759 -30.272 1.00 0.00 C ATOM 1562 NZ LYS A 100 0.614 22.698 -31.229 1.00 0.00 N ATOM 0 H LYS A 100 -3.273 18.426 -27.530 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.686 21.209 -27.244 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.558 19.618 -27.737 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.904 20.107 -29.384 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.883 22.330 -27.422 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.344 21.514 -27.616 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.006 22.546 -29.948 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.731 23.474 -29.183 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.727 21.304 -29.638 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.513 20.951 -30.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.311 22.182 -31.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -0.109 23.113 -31.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.093 23.455 -30.702 1.00 0.00 H new ATOM 1576 N ASN A 101 -5.031 19.872 -29.817 1.00 0.00 N ATOM 1577 CA ASN A 101 -5.834 20.112 -31.011 1.00 0.00 C ATOM 1578 C ASN A 101 -7.206 20.666 -30.641 1.00 0.00 C ATOM 1579 O ASN A 101 -7.953 21.133 -31.502 1.00 0.00 O ATOM 1580 CB ASN A 101 -5.993 18.818 -31.812 1.00 0.00 C ATOM 1581 CG ASN A 101 -4.699 18.386 -32.474 1.00 0.00 C ATOM 1582 OD1 ASN A 101 -3.696 19.098 -32.427 1.00 0.00 O ATOM 1583 ND2 ASN A 101 -4.716 17.213 -33.096 1.00 0.00 N ATOM 0 H ASN A 101 -5.074 18.916 -29.465 1.00 0.00 H new ATOM 0 HA ASN A 101 -5.317 20.850 -31.624 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -6.342 18.025 -31.151 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -6.759 18.958 -32.575 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -3.875 16.869 -33.560 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -5.570 16.655 -33.110 1.00 0.00 H new ATOM 1590 N LYS A 102 -7.533 20.613 -29.354 1.00 0.00 N ATOM 1591 CA LYS A 102 -8.814 21.111 -28.868 1.00 0.00 C ATOM 1592 C LYS A 102 -8.613 22.222 -27.843 1.00 0.00 C ATOM 1593 O LYS A 102 -9.506 23.036 -27.612 1.00 0.00 O ATOM 1594 CB LYS A 102 -9.626 19.971 -28.248 1.00 0.00 C ATOM 1595 CG LYS A 102 -9.871 18.812 -29.199 1.00 0.00 C ATOM 1596 CD LYS A 102 -11.169 18.986 -29.969 1.00 0.00 C ATOM 1597 CE LYS A 102 -12.379 18.709 -29.090 1.00 0.00 C ATOM 1598 NZ LYS A 102 -13.654 18.812 -29.853 1.00 0.00 N ATOM 0 H LYS A 102 -6.927 20.230 -28.628 1.00 0.00 H new ATOM 0 HA LYS A 102 -9.362 21.519 -29.717 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.103 19.602 -27.366 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.586 20.362 -27.910 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.039 18.733 -29.899 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.903 17.879 -28.636 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.227 20.001 -30.361 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.178 18.312 -30.826 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -12.294 17.712 -28.658 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.394 19.415 -28.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.373 19.280 -29.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -13.497 19.368 -30.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.983 17.859 -30.109 1.00 0.00 H new ATOM 1612 N GLY A 103 -7.433 22.249 -27.230 1.00 0.00 N ATOM 1613 CA GLY A 103 -7.136 23.265 -26.238 1.00 0.00 C ATOM 1614 C GLY A 103 -5.930 24.104 -26.610 1.00 0.00 C ATOM 1615 O GLY A 103 -5.812 25.256 -26.191 1.00 0.00 O ATOM 0 H GLY A 103 -6.678 21.585 -27.403 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.003 23.914 -26.117 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.959 22.787 -25.275 1.00 0.00 H new ATOM 1619 N PHE A 104 -5.030 23.527 -27.400 1.00 0.00 N ATOM 1620 CA PHE A 104 -3.825 24.229 -27.827 1.00 0.00 C ATOM 1621 C PHE A 104 -2.993 24.662 -26.624 1.00 0.00 C ATOM 1622 O PHE A 104 -2.173 25.575 -26.718 1.00 0.00 O ATOM 1623 CB PHE A 104 -4.193 25.449 -28.673 1.00 0.00 C ATOM 1624 CG PHE A 104 -5.432 25.255 -29.499 1.00 0.00 C ATOM 1625 CD1 PHE A 104 -5.403 24.471 -30.641 1.00 0.00 C ATOM 1626 CD2 PHE A 104 -6.626 25.854 -29.132 1.00 0.00 C ATOM 1627 CE1 PHE A 104 -6.542 24.291 -31.403 1.00 0.00 C ATOM 1628 CE2 PHE A 104 -7.769 25.678 -29.890 1.00 0.00 C ATOM 1629 CZ PHE A 104 -7.727 24.894 -31.027 1.00 0.00 C ATOM 0 H PHE A 104 -5.112 22.575 -27.757 1.00 0.00 H new ATOM 0 HA PHE A 104 -3.230 23.544 -28.430 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.335 26.307 -28.016 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -3.359 25.688 -29.334 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -4.480 23.995 -30.939 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.665 26.466 -28.243 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.506 23.679 -32.292 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.693 26.152 -29.594 1.00 0.00 H new ATOM 0 HZ PHE A 104 -8.618 24.753 -31.620 1.00 0.00 H new ATOM 1639 N LYS A 105 -3.210 24.000 -25.492 1.00 0.00 N ATOM 1640 CA LYS A 105 -2.481 24.314 -24.269 1.00 0.00 C ATOM 1641 C LYS A 105 -2.197 23.050 -23.465 1.00 0.00 C ATOM 1642 O LYS A 105 -2.886 22.754 -22.489 1.00 0.00 O ATOM 1643 CB LYS A 105 -3.278 25.305 -23.417 1.00 0.00 C ATOM 1644 CG LYS A 105 -2.410 26.179 -22.528 1.00 0.00 C ATOM 1645 CD LYS A 105 -2.002 25.451 -21.258 1.00 0.00 C ATOM 1646 CE LYS A 105 -0.968 26.241 -20.470 1.00 0.00 C ATOM 1647 NZ LYS A 105 -1.403 27.647 -20.239 1.00 0.00 N ATOM 0 H LYS A 105 -3.886 23.242 -25.397 1.00 0.00 H new ATOM 0 HA LYS A 105 -1.530 24.767 -24.548 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.869 25.943 -24.074 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.981 24.752 -22.794 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -1.519 26.485 -23.076 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -2.952 27.088 -22.269 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -2.881 25.280 -20.637 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.596 24.472 -21.513 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -0.791 25.753 -19.511 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -0.020 26.238 -21.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -0.793 28.293 -20.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -2.389 27.761 -20.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -1.332 27.870 -19.226 1.00 0.00 H new ATOM 1661 N VAL A 106 -1.176 22.307 -23.881 1.00 0.00 N ATOM 1662 CA VAL A 106 -0.798 21.076 -23.198 1.00 0.00 C ATOM 1663 C VAL A 106 0.605 21.181 -22.611 1.00 0.00 C ATOM 1664 O VAL A 106 1.524 21.680 -23.260 1.00 0.00 O ATOM 1665 CB VAL A 106 -0.856 19.866 -24.149 1.00 0.00 C ATOM 1666 CG1 VAL A 106 0.222 19.973 -25.216 1.00 0.00 C ATOM 1667 CG2 VAL A 106 -0.717 18.568 -23.368 1.00 0.00 C ATOM 0 H VAL A 106 -0.596 22.537 -24.688 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.516 20.929 -22.391 1.00 0.00 H new ATOM 0 HB VAL A 106 -1.826 19.863 -24.646 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.165 19.109 -25.878 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.072 20.884 -25.795 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.203 20.002 -24.741 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.760 17.723 -24.056 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.238 18.560 -22.843 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.529 18.489 -22.645 1.00 0.00 H new ATOM 1677 N GLU A 107 0.764 20.705 -21.380 1.00 0.00 N ATOM 1678 CA GLU A 107 2.056 20.746 -20.706 1.00 0.00 C ATOM 1679 C GLU A 107 2.304 19.458 -19.926 1.00 0.00 C ATOM 1680 O GLU A 107 1.552 19.118 -19.012 1.00 0.00 O ATOM 1681 CB GLU A 107 2.127 21.949 -19.763 1.00 0.00 C ATOM 1682 CG GLU A 107 3.451 22.069 -19.027 1.00 0.00 C ATOM 1683 CD GLU A 107 3.501 23.274 -18.109 1.00 0.00 C ATOM 1684 OE1 GLU A 107 3.620 24.407 -18.621 1.00 0.00 O ATOM 1685 OE2 GLU A 107 3.421 23.084 -16.877 1.00 0.00 O ATOM 0 H GLU A 107 0.014 20.287 -20.829 1.00 0.00 H new ATOM 0 HA GLU A 107 2.831 20.844 -21.467 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.956 22.860 -20.337 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.321 21.876 -19.033 1.00 0.00 H new ATOM 0 HG2 GLU A 107 3.621 21.165 -18.443 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.261 22.136 -19.753 1.00 0.00 H new ATOM 1692 N THR A 108 3.364 18.745 -20.294 1.00 0.00 N ATOM 1693 CA THR A 108 3.711 17.494 -19.631 1.00 0.00 C ATOM 1694 C THR A 108 4.947 17.661 -18.755 1.00 0.00 C ATOM 1695 O THR A 108 5.922 18.297 -19.156 1.00 0.00 O ATOM 1696 CB THR A 108 3.966 16.369 -20.651 1.00 0.00 C ATOM 1697 OG1 THR A 108 5.222 16.577 -21.306 1.00 0.00 O ATOM 1698 CG2 THR A 108 2.852 16.315 -21.686 1.00 0.00 C ATOM 0 H THR A 108 3.997 19.013 -21.048 1.00 0.00 H new ATOM 0 HA THR A 108 2.861 17.221 -19.006 1.00 0.00 H new ATOM 0 HB THR A 108 3.989 15.420 -20.115 1.00 0.00 H new ATOM 0 HG1 THR A 108 5.377 15.856 -21.952 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.054 15.513 -22.396 1.00 0.00 H new ATOM 0 HG22 THR A 108 1.901 16.128 -21.187 1.00 0.00 H new ATOM 0 HG23 THR A 108 2.802 17.266 -22.217 1.00 0.00 H new ATOM 1706 N ASP A 109 4.902 17.084 -17.559 1.00 0.00 N ATOM 1707 CA ASP A 109 6.020 17.167 -16.627 1.00 0.00 C ATOM 1708 C ASP A 109 6.317 15.804 -16.012 1.00 0.00 C ATOM 1709 O ASP A 109 5.427 15.150 -15.469 1.00 0.00 O ATOM 1710 CB ASP A 109 5.719 18.184 -15.525 1.00 0.00 C ATOM 1711 CG ASP A 109 6.725 18.125 -14.393 1.00 0.00 C ATOM 1712 OD1 ASP A 109 6.656 17.175 -13.586 1.00 0.00 O ATOM 1713 OD2 ASP A 109 7.582 19.031 -14.313 1.00 0.00 O ATOM 0 H ASP A 109 4.103 16.554 -17.212 1.00 0.00 H new ATOM 0 HA ASP A 109 6.900 17.494 -17.181 1.00 0.00 H new ATOM 0 HB2 ASP A 109 5.715 19.187 -15.952 1.00 0.00 H new ATOM 0 HB3 ASP A 109 4.720 18.002 -15.129 1.00 0.00 H new ATOM 1718 N MET A 110 7.574 15.380 -16.101 1.00 0.00 N ATOM 1719 CA MET A 110 7.988 14.094 -15.553 1.00 0.00 C ATOM 1720 C MET A 110 7.625 13.991 -14.075 1.00 0.00 C ATOM 1721 O MET A 110 7.936 12.998 -13.416 1.00 0.00 O ATOM 1722 CB MET A 110 9.494 13.899 -15.735 1.00 0.00 C ATOM 1723 CG MET A 110 9.898 13.591 -17.168 1.00 0.00 C ATOM 1724 SD MET A 110 11.541 12.857 -17.284 1.00 0.00 S ATOM 1725 CE MET A 110 12.494 13.999 -16.286 1.00 0.00 C ATOM 0 H MET A 110 8.323 15.909 -16.548 1.00 0.00 H new ATOM 0 HA MET A 110 7.460 13.309 -16.094 1.00 0.00 H new ATOM 0 HB2 MET A 110 10.011 14.800 -15.406 1.00 0.00 H new ATOM 0 HB3 MET A 110 9.828 13.087 -15.089 1.00 0.00 H new ATOM 0 HG2 MET A 110 9.169 12.911 -17.609 1.00 0.00 H new ATOM 0 HG3 MET A 110 9.873 14.510 -17.754 1.00 0.00 H new ATOM 0 HE1 MET A 110 13.557 13.844 -16.471 1.00 0.00 H new ATOM 0 HE2 MET A 110 12.225 15.022 -16.548 1.00 0.00 H new ATOM 0 HE3 MET A 110 12.280 13.826 -15.231 1.00 0.00 H new TER 1735 MET A 110