USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 791 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 -122:sc= -0.0578 (180deg=0) USER MOD Set 1.2: A 42 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 6 MET CE :methyl -160:sc= -0.834 (180deg=-1.26) USER MOD Set 2.2: A 20 CYS SG : rot 180:sc= -0.324 USER MOD Set 3.1: A 8 ASN : amide:sc= -0.914 X(o=-1.2,f=-1.3) USER MOD Set 3.2: A 10 SER OG : rot 115:sc= 0.325 USER MOD Set 3.3: A 71 ASN : amide:sc= -0.579 X(o=-1.2,f=-1.2!) USER MOD Single : A 2 THR OG1 : rot 31:sc= 0.193 USER MOD Single : A 4 CYS SG : rot -28:sc= 0.742 USER MOD Single : A 7 TYR OH : rot 111:sc= 1.69 USER MOD Single : A 14 SER OG : rot -58:sc= 0.88 USER MOD Single : A 15 HIS : no HE2:sc= -0.176 K(o=-0.18,f=-2.1!) 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 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 89:sc= 0.86 USER MOD Single : A 31 SER OG : rot 72:sc= 0.878 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.655 USER MOD Single : A 40 ASN :FLIP amide:sc= -0.031 F(o=-0.82,f=-0.031) USER MOD Single : A 45 MET CE :methyl -157:sc= -0.602 (180deg=-0.656) 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 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0232 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 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.278 X(o=-0.28,f=-0.28) USER MOD Single : A 88 MET CE :methyl -135:sc= -0.247 (180deg=-2.31) USER MOD Single : A 89 LYS NZ :NH3+ -159:sc= -0.0384 (180deg=-0.271) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 68:sc= 0.189 USER MOD Single : A 98 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0755) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -1.54 K(o=-1.5,f=-5.8!) USER MOD Single : A 102 LYS NZ :NH3+ -168:sc= 0.129 (180deg=0.0892) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 130:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 -0.434 1.236 -1.775 1.00 0.00 N ATOM 19 CA THR A 2 -1.421 1.474 -2.820 1.00 0.00 C ATOM 20 C THR A 2 -1.081 2.724 -3.623 1.00 0.00 C ATOM 21 O THR A 2 -1.032 3.829 -3.081 1.00 0.00 O ATOM 22 CB THR A 2 -2.837 1.625 -2.232 1.00 0.00 C ATOM 23 OG1 THR A 2 -3.116 0.539 -1.342 1.00 0.00 O ATOM 24 CG2 THR A 2 -3.881 1.661 -3.338 1.00 0.00 C ATOM 0 HA THR A 2 -1.400 0.605 -3.478 1.00 0.00 H new ATOM 0 HB THR A 2 -2.880 2.565 -1.682 1.00 0.00 H new ATOM 0 HG1 THR A 2 -2.283 0.238 -0.922 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.873 1.768 -2.899 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.683 2.506 -3.998 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.836 0.735 -3.911 1.00 0.00 H new ATOM 32 N LEU A 3 -0.847 2.544 -4.918 1.00 0.00 N ATOM 33 CA LEU A 3 -0.512 3.659 -5.798 1.00 0.00 C ATOM 34 C LEU A 3 -1.751 4.170 -6.526 1.00 0.00 C ATOM 35 O LEU A 3 -2.271 3.508 -7.425 1.00 0.00 O ATOM 36 CB LEU A 3 0.551 3.233 -6.812 1.00 0.00 C ATOM 37 CG LEU A 3 1.995 3.232 -6.310 1.00 0.00 C ATOM 38 CD1 LEU A 3 2.396 4.619 -5.835 1.00 0.00 C ATOM 39 CD2 LEU A 3 2.172 2.212 -5.194 1.00 0.00 C ATOM 0 H LEU A 3 -0.883 1.637 -5.382 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.115 4.468 -5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.309 2.230 -7.163 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.488 3.896 -7.675 1.00 0.00 H new ATOM 0 HG LEU A 3 2.646 2.951 -7.138 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.427 4.599 -5.481 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.309 5.325 -6.661 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.740 4.929 -5.022 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.206 2.226 -4.849 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.510 2.461 -4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.927 1.218 -5.568 1.00 0.00 H new ATOM 51 N CYS A 4 -2.216 5.350 -6.135 1.00 0.00 N ATOM 52 CA CYS A 4 -3.394 5.951 -6.752 1.00 0.00 C ATOM 53 C CYS A 4 -3.014 7.190 -7.556 1.00 0.00 C ATOM 54 O CYS A 4 -1.919 7.730 -7.403 1.00 0.00 O ATOM 55 CB CYS A 4 -4.424 6.318 -5.683 1.00 0.00 C ATOM 56 SG CYS A 4 -3.947 7.722 -4.648 1.00 0.00 S ATOM 0 H CYS A 4 -1.796 5.911 -5.394 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.831 5.219 -7.431 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -5.372 6.545 -6.170 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -4.594 5.451 -5.045 1.00 0.00 H new ATOM 0 HG CYS A 4 -2.651 7.787 -4.576 1.00 0.00 H new ATOM 62 N ALA A 5 -3.926 7.634 -8.414 1.00 0.00 N ATOM 63 CA ALA A 5 -3.687 8.809 -9.243 1.00 0.00 C ATOM 64 C ALA A 5 -4.830 9.811 -9.117 1.00 0.00 C ATOM 65 O ALA A 5 -5.996 9.429 -9.033 1.00 0.00 O ATOM 66 CB ALA A 5 -3.498 8.401 -10.696 1.00 0.00 C ATOM 0 H ALA A 5 -4.837 7.198 -8.553 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.775 9.291 -8.892 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.320 9.289 -11.303 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.644 7.729 -10.777 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.394 7.892 -11.051 1.00 0.00 H new ATOM 72 N MET A 6 -4.486 11.095 -9.103 1.00 0.00 N ATOM 73 CA MET A 6 -5.484 12.152 -8.987 1.00 0.00 C ATOM 74 C MET A 6 -5.776 12.775 -10.349 1.00 0.00 C ATOM 75 O MET A 6 -4.894 13.361 -10.976 1.00 0.00 O ATOM 76 CB MET A 6 -5.006 13.230 -8.012 1.00 0.00 C ATOM 77 CG MET A 6 -5.229 12.871 -6.552 1.00 0.00 C ATOM 78 SD MET A 6 -6.840 13.405 -5.943 1.00 0.00 S ATOM 79 CE MET A 6 -7.376 11.936 -5.071 1.00 0.00 C ATOM 0 H MET A 6 -3.524 11.428 -9.171 1.00 0.00 H new ATOM 0 HA MET A 6 -6.404 11.709 -8.605 1.00 0.00 H new ATOM 0 HB2 MET A 6 -3.943 13.410 -8.175 1.00 0.00 H new ATOM 0 HB3 MET A 6 -5.525 14.163 -8.232 1.00 0.00 H new ATOM 0 HG2 MET A 6 -5.138 11.792 -6.429 1.00 0.00 H new ATOM 0 HG3 MET A 6 -4.446 13.328 -5.946 1.00 0.00 H new ATOM 0 HE1 MET A 6 -8.459 11.962 -4.946 1.00 0.00 H new ATOM 0 HE2 MET A 6 -7.097 11.051 -5.643 1.00 0.00 H new ATOM 0 HE3 MET A 6 -6.899 11.900 -4.092 1.00 0.00 H new ATOM 89 N TYR A 7 -7.019 12.643 -10.799 1.00 0.00 N ATOM 90 CA TYR A 7 -7.426 13.191 -12.088 1.00 0.00 C ATOM 91 C TYR A 7 -8.443 14.314 -11.906 1.00 0.00 C ATOM 92 O TYR A 7 -9.604 14.069 -11.583 1.00 0.00 O ATOM 93 CB TYR A 7 -8.019 12.090 -12.969 1.00 0.00 C ATOM 94 CG TYR A 7 -7.824 12.329 -14.450 1.00 0.00 C ATOM 95 CD1 TYR A 7 -8.247 13.513 -15.043 1.00 0.00 C ATOM 96 CD2 TYR A 7 -7.219 11.372 -15.255 1.00 0.00 C ATOM 97 CE1 TYR A 7 -8.072 13.736 -16.395 1.00 0.00 C ATOM 98 CE2 TYR A 7 -7.039 11.587 -16.607 1.00 0.00 C ATOM 99 CZ TYR A 7 -7.467 12.770 -17.173 1.00 0.00 C ATOM 100 OH TYR A 7 -7.291 12.988 -18.520 1.00 0.00 O ATOM 0 H TYR A 7 -7.761 12.162 -10.291 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.542 13.601 -12.575 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.564 11.137 -12.700 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.085 12.004 -12.761 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -8.720 14.271 -14.437 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.884 10.444 -14.816 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.407 14.661 -16.841 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.566 10.833 -17.218 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.336 13.093 -18.712 1.00 0.00 H new ATOM 110 N ASN A 8 -7.996 15.548 -12.116 1.00 0.00 N ATOM 111 CA ASN A 8 -8.865 16.710 -11.976 1.00 0.00 C ATOM 112 C ASN A 8 -9.460 17.111 -13.323 1.00 0.00 C ATOM 113 O ASN A 8 -8.782 17.710 -14.158 1.00 0.00 O ATOM 114 CB ASN A 8 -8.088 17.885 -11.379 1.00 0.00 C ATOM 115 CG ASN A 8 -8.788 19.213 -11.598 1.00 0.00 C ATOM 116 OD1 ASN A 8 -8.655 19.830 -12.655 1.00 0.00 O ATOM 117 ND2 ASN A 8 -9.539 19.658 -10.598 1.00 0.00 N ATOM 0 H ASN A 8 -7.037 15.769 -12.384 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.681 16.443 -11.304 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.952 17.721 -10.310 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.094 17.924 -11.825 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -10.035 20.545 -10.688 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -9.620 19.113 -9.740 1.00 0.00 H new ATOM 124 N ILE A 9 -10.729 16.777 -13.526 1.00 0.00 N ATOM 125 CA ILE A 9 -11.415 17.103 -14.770 1.00 0.00 C ATOM 126 C ILE A 9 -12.483 18.168 -14.546 1.00 0.00 C ATOM 127 O ILE A 9 -13.339 18.030 -13.672 1.00 0.00 O ATOM 128 CB ILE A 9 -12.071 15.858 -15.395 1.00 0.00 C ATOM 129 CG1 ILE A 9 -12.737 16.218 -16.724 1.00 0.00 C ATOM 130 CG2 ILE A 9 -13.086 15.255 -14.434 1.00 0.00 C ATOM 131 CD1 ILE A 9 -13.311 15.024 -17.455 1.00 0.00 C ATOM 0 H ILE A 9 -11.304 16.281 -12.845 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.659 17.488 -15.455 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.296 15.116 -15.588 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.534 16.938 -16.538 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -12.006 16.710 -17.366 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.541 14.376 -14.890 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.585 14.966 -13.510 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.859 15.991 -14.213 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -13.767 15.354 -18.388 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.514 14.313 -17.672 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.066 14.544 -16.832 1.00 0.00 H new ATOM 143 N SER A 10 -12.428 19.230 -15.343 1.00 0.00 N ATOM 144 CA SER A 10 -13.390 20.321 -15.231 1.00 0.00 C ATOM 145 C SER A 10 -13.910 20.731 -16.605 1.00 0.00 C ATOM 146 O SER A 10 -13.287 21.531 -17.302 1.00 0.00 O ATOM 147 CB SER A 10 -12.750 21.524 -14.535 1.00 0.00 C ATOM 148 OG SER A 10 -11.709 21.115 -13.664 1.00 0.00 O ATOM 0 H SER A 10 -11.728 19.359 -16.073 1.00 0.00 H new ATOM 0 HA SER A 10 -14.232 19.970 -14.634 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.354 22.212 -15.282 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.508 22.067 -13.971 1.00 0.00 H new ATOM 0 HG SER A 10 -10.852 21.454 -13.997 1.00 0.00 H new ATOM 154 N MET A 11 -15.055 20.175 -16.988 1.00 0.00 N ATOM 155 CA MET A 11 -15.660 20.483 -18.279 1.00 0.00 C ATOM 156 C MET A 11 -15.788 21.991 -18.473 1.00 0.00 C ATOM 157 O MET A 11 -15.736 22.757 -17.511 1.00 0.00 O ATOM 158 CB MET A 11 -17.035 19.824 -18.392 1.00 0.00 C ATOM 159 CG MET A 11 -17.440 19.504 -19.821 1.00 0.00 C ATOM 160 SD MET A 11 -18.953 18.528 -19.913 1.00 0.00 S ATOM 161 CE MET A 11 -20.190 19.823 -19.948 1.00 0.00 C ATOM 0 H MET A 11 -15.582 19.509 -16.423 1.00 0.00 H new ATOM 0 HA MET A 11 -15.011 20.088 -19.060 1.00 0.00 H new ATOM 0 HB2 MET A 11 -17.037 18.904 -17.808 1.00 0.00 H new ATOM 0 HB3 MET A 11 -17.782 20.483 -17.950 1.00 0.00 H new ATOM 0 HG2 MET A 11 -17.578 20.434 -20.372 1.00 0.00 H new ATOM 0 HG3 MET A 11 -16.632 18.961 -20.310 1.00 0.00 H new ATOM 0 HE1 MET A 11 -20.876 19.693 -19.111 1.00 0.00 H new ATOM 0 HE2 MET A 11 -19.702 20.795 -19.870 1.00 0.00 H new ATOM 0 HE3 MET A 11 -20.746 19.770 -20.884 1.00 0.00 H new ATOM 171 N ALA A 12 -15.955 22.410 -19.723 1.00 0.00 N ATOM 172 CA ALA A 12 -16.093 23.826 -20.042 1.00 0.00 C ATOM 173 C ALA A 12 -17.172 24.479 -19.185 1.00 0.00 C ATOM 174 O ALA A 12 -18.340 24.100 -19.245 1.00 0.00 O ATOM 175 CB ALA A 12 -16.409 24.005 -21.519 1.00 0.00 C ATOM 0 H ALA A 12 -15.998 21.789 -20.531 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.145 24.317 -19.822 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -16.509 25.067 -21.743 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -15.602 23.582 -22.118 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -17.342 23.494 -21.756 1.00 0.00 H new ATOM 181 N GLY A 13 -16.771 25.464 -18.387 1.00 0.00 N ATOM 182 CA GLY A 13 -17.716 26.154 -17.528 1.00 0.00 C ATOM 183 C GLY A 13 -18.352 25.232 -16.507 1.00 0.00 C ATOM 184 O GLY A 13 -19.577 25.165 -16.399 1.00 0.00 O ATOM 0 H GLY A 13 -15.809 25.796 -18.320 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -17.206 26.967 -17.011 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -18.496 26.606 -18.141 1.00 0.00 H new ATOM 188 N SER A 14 -17.519 24.519 -15.757 1.00 0.00 N ATOM 189 CA SER A 14 -18.008 23.591 -14.743 1.00 0.00 C ATOM 190 C SER A 14 -16.973 23.400 -13.638 1.00 0.00 C ATOM 191 O SER A 14 -15.772 23.333 -13.901 1.00 0.00 O ATOM 192 CB SER A 14 -18.348 22.242 -15.378 1.00 0.00 C ATOM 193 OG SER A 14 -17.181 21.466 -15.584 1.00 0.00 O ATOM 0 H SER A 14 -16.503 24.565 -15.832 1.00 0.00 H new ATOM 0 HA SER A 14 -18.911 24.015 -14.302 1.00 0.00 H new ATOM 0 HB2 SER A 14 -19.041 21.699 -14.736 1.00 0.00 H new ATOM 0 HB3 SER A 14 -18.855 22.402 -16.330 1.00 0.00 H new ATOM 0 HG SER A 14 -16.553 21.963 -16.149 1.00 0.00 H new ATOM 199 N HIS A 15 -17.448 23.312 -12.400 1.00 0.00 N ATOM 200 CA HIS A 15 -16.565 23.128 -11.253 1.00 0.00 C ATOM 201 C HIS A 15 -15.623 21.949 -11.477 1.00 0.00 C ATOM 202 O HIS A 15 -15.898 21.044 -12.266 1.00 0.00 O ATOM 203 CB HIS A 15 -17.385 22.906 -9.982 1.00 0.00 C ATOM 204 CG HIS A 15 -18.515 21.939 -10.159 1.00 0.00 C ATOM 205 ND1 HIS A 15 -18.377 20.730 -10.808 1.00 0.00 N ATOM 206 CD2 HIS A 15 -19.809 22.007 -9.766 1.00 0.00 C ATOM 207 CE1 HIS A 15 -19.536 20.098 -10.808 1.00 0.00 C ATOM 208 NE2 HIS A 15 -20.422 20.851 -10.181 1.00 0.00 N ATOM 0 H HIS A 15 -18.439 23.365 -12.165 1.00 0.00 H new ATOM 0 HA HIS A 15 -15.967 24.032 -11.137 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -16.726 22.542 -9.194 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -17.786 23.863 -9.646 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -17.514 20.379 -11.223 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -20.273 22.820 -9.226 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -19.727 19.130 -11.246 1.00 0.00 H new ATOM 216 N PRO A 16 -14.484 21.958 -10.769 1.00 0.00 N ATOM 217 CA PRO A 16 -13.478 20.897 -10.874 1.00 0.00 C ATOM 218 C PRO A 16 -13.959 19.581 -10.270 1.00 0.00 C ATOM 219 O PRO A 16 -14.601 19.565 -9.220 1.00 0.00 O ATOM 220 CB PRO A 16 -12.295 21.450 -10.076 1.00 0.00 C ATOM 221 CG PRO A 16 -12.903 22.406 -9.109 1.00 0.00 C ATOM 222 CD PRO A 16 -14.091 23.004 -9.810 1.00 0.00 C ATOM 0 HA PRO A 16 -13.238 20.663 -11.911 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.758 20.653 -9.561 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.577 21.949 -10.727 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.205 21.896 -8.194 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.189 23.178 -8.823 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -14.896 23.232 -9.112 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -13.833 23.935 -10.314 1.00 0.00 H new ATOM 230 N THR A 17 -13.642 18.477 -10.940 1.00 0.00 N ATOM 231 CA THR A 17 -14.042 17.157 -10.471 1.00 0.00 C ATOM 232 C THR A 17 -12.826 16.300 -10.139 1.00 0.00 C ATOM 233 O THR A 17 -12.032 15.963 -11.018 1.00 0.00 O ATOM 234 CB THR A 17 -14.902 16.425 -11.518 1.00 0.00 C ATOM 235 OG1 THR A 17 -16.106 17.160 -11.764 1.00 0.00 O ATOM 236 CG2 THR A 17 -15.247 15.020 -11.048 1.00 0.00 C ATOM 0 H THR A 17 -13.109 18.472 -11.810 1.00 0.00 H new ATOM 0 HA THR A 17 -14.634 17.308 -9.568 1.00 0.00 H new ATOM 0 HB THR A 17 -14.327 16.352 -12.441 1.00 0.00 H new ATOM 0 HG1 THR A 17 -16.646 16.689 -12.432 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.855 14.522 -11.804 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.329 14.454 -10.890 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.805 15.076 -10.113 1.00 0.00 H new ATOM 244 N THR A 18 -12.685 15.948 -8.865 1.00 0.00 N ATOM 245 CA THR A 18 -11.565 15.130 -8.417 1.00 0.00 C ATOM 246 C THR A 18 -11.857 13.646 -8.609 1.00 0.00 C ATOM 247 O THR A 18 -12.654 13.061 -7.875 1.00 0.00 O ATOM 248 CB THR A 18 -11.237 15.390 -6.935 1.00 0.00 C ATOM 249 OG1 THR A 18 -11.326 16.791 -6.651 1.00 0.00 O ATOM 250 CG2 THR A 18 -9.843 14.886 -6.592 1.00 0.00 C ATOM 0 H THR A 18 -13.333 16.217 -8.125 1.00 0.00 H new ATOM 0 HA THR A 18 -10.705 15.410 -9.026 1.00 0.00 H new ATOM 0 HB THR A 18 -11.962 14.850 -6.326 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.118 16.947 -5.706 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.634 15.081 -5.540 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.787 13.814 -6.780 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.108 15.402 -7.209 1.00 0.00 H new ATOM 258 N ILE A 19 -11.206 13.043 -9.598 1.00 0.00 N ATOM 259 CA ILE A 19 -11.395 11.627 -9.884 1.00 0.00 C ATOM 260 C ILE A 19 -10.151 10.822 -9.522 1.00 0.00 C ATOM 261 O ILE A 19 -9.161 10.826 -10.255 1.00 0.00 O ATOM 262 CB ILE A 19 -11.730 11.392 -11.369 1.00 0.00 C ATOM 263 CG1 ILE A 19 -12.801 12.380 -11.835 1.00 0.00 C ATOM 264 CG2 ILE A 19 -12.192 9.959 -11.588 1.00 0.00 C ATOM 265 CD1 ILE A 19 -13.186 12.214 -13.288 1.00 0.00 C ATOM 0 H ILE A 19 -10.543 13.513 -10.214 1.00 0.00 H new ATOM 0 HA ILE A 19 -12.233 11.291 -9.273 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.829 11.556 -11.960 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -13.690 12.258 -11.216 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -12.439 13.396 -11.677 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.425 9.809 -12.642 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.400 9.272 -11.290 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.082 9.768 -10.989 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.949 12.947 -13.548 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.308 12.365 -13.917 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.578 11.210 -13.448 1.00 0.00 H new ATOM 277 N CYS A 20 -10.209 10.132 -8.389 1.00 0.00 N ATOM 278 CA CYS A 20 -9.087 9.320 -7.929 1.00 0.00 C ATOM 279 C CYS A 20 -9.110 7.942 -8.581 1.00 0.00 C ATOM 280 O CYS A 20 -9.930 7.092 -8.232 1.00 0.00 O ATOM 281 CB CYS A 20 -9.123 9.179 -6.407 1.00 0.00 C ATOM 282 SG CYS A 20 -7.690 8.324 -5.711 1.00 0.00 S ATOM 0 H CYS A 20 -11.021 10.118 -7.771 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.164 9.823 -8.218 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -9.192 10.172 -5.962 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -10.027 8.640 -6.124 1.00 0.00 H new ATOM 0 HG CYS A 20 -7.811 8.256 -4.418 1.00 0.00 H new ATOM 288 N VAL A 21 -8.206 7.727 -9.531 1.00 0.00 N ATOM 289 CA VAL A 21 -8.123 6.451 -10.233 1.00 0.00 C ATOM 290 C VAL A 21 -6.791 5.761 -9.961 1.00 0.00 C ATOM 291 O VAL A 21 -5.729 6.375 -10.061 1.00 0.00 O ATOM 292 CB VAL A 21 -8.292 6.635 -11.753 1.00 0.00 C ATOM 293 CG1 VAL A 21 -8.393 5.285 -12.446 1.00 0.00 C ATOM 294 CG2 VAL A 21 -9.514 7.490 -12.052 1.00 0.00 C ATOM 0 H VAL A 21 -7.521 8.420 -9.833 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.935 5.829 -9.857 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.413 7.150 -12.140 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.512 5.435 -13.519 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.486 4.711 -12.258 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.254 4.740 -12.058 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.619 7.610 -13.130 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.404 7.004 -11.653 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.396 8.469 -11.588 1.00 0.00 H new ATOM 304 N VAL A 22 -6.855 4.478 -9.618 1.00 0.00 N ATOM 305 CA VAL A 22 -5.654 3.702 -9.333 1.00 0.00 C ATOM 306 C VAL A 22 -4.639 3.824 -10.464 1.00 0.00 C ATOM 307 O VAL A 22 -4.998 4.124 -11.603 1.00 0.00 O ATOM 308 CB VAL A 22 -5.986 2.214 -9.114 1.00 0.00 C ATOM 309 CG1 VAL A 22 -6.384 1.557 -10.427 1.00 0.00 C ATOM 310 CG2 VAL A 22 -4.804 1.492 -8.484 1.00 0.00 C ATOM 0 H VAL A 22 -7.726 3.954 -9.531 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.224 4.109 -8.418 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.832 2.145 -8.430 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.615 0.506 -10.253 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.262 2.059 -10.834 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.561 1.635 -11.137 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.056 0.442 -8.336 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.938 1.568 -9.142 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.570 1.948 -7.522 1.00 0.00 H new ATOM 320 N MET A 23 -3.371 3.590 -10.142 1.00 0.00 N ATOM 321 CA MET A 23 -2.304 3.672 -11.133 1.00 0.00 C ATOM 322 C MET A 23 -2.449 2.572 -12.180 1.00 0.00 C ATOM 323 O MET A 23 -2.153 2.780 -13.357 1.00 0.00 O ATOM 324 CB MET A 23 -0.938 3.568 -10.452 1.00 0.00 C ATOM 325 CG MET A 23 0.232 3.732 -11.409 1.00 0.00 C ATOM 326 SD MET A 23 1.812 3.306 -10.653 1.00 0.00 S ATOM 327 CE MET A 23 2.393 2.037 -11.776 1.00 0.00 C ATOM 0 H MET A 23 -3.057 3.342 -9.204 1.00 0.00 H new ATOM 0 HA MET A 23 -2.380 4.637 -11.634 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.870 4.329 -9.674 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.860 2.599 -9.958 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.071 3.103 -12.285 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.268 4.763 -11.760 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.364 1.672 -11.441 1.00 0.00 H new ATOM 0 HE2 MET A 23 1.681 1.212 -11.792 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.488 2.454 -12.779 1.00 0.00 H new ATOM 337 N ASP A 24 -2.904 1.403 -11.744 1.00 0.00 N ATOM 338 CA ASP A 24 -3.088 0.270 -12.644 1.00 0.00 C ATOM 339 C ASP A 24 -4.083 0.611 -13.750 1.00 0.00 C ATOM 340 O ASP A 24 -4.044 0.028 -14.834 1.00 0.00 O ATOM 341 CB ASP A 24 -3.571 -0.954 -11.865 1.00 0.00 C ATOM 342 CG ASP A 24 -2.440 -1.675 -11.159 1.00 0.00 C ATOM 343 OD1 ASP A 24 -1.370 -1.851 -11.779 1.00 0.00 O ATOM 344 OD2 ASP A 24 -2.624 -2.063 -9.987 1.00 0.00 O ATOM 0 H ASP A 24 -3.152 1.215 -10.773 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.126 0.042 -13.103 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.314 -0.643 -11.131 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.067 -1.643 -12.548 1.00 0.00 H new ATOM 349 N ARG A 25 -4.973 1.556 -13.467 1.00 0.00 N ATOM 350 CA ARG A 25 -5.979 1.973 -14.437 1.00 0.00 C ATOM 351 C ARG A 25 -5.862 3.465 -14.735 1.00 0.00 C ATOM 352 O ARG A 25 -6.768 4.066 -15.311 1.00 0.00 O ATOM 353 CB ARG A 25 -7.382 1.654 -13.916 1.00 0.00 C ATOM 354 CG ARG A 25 -7.992 0.407 -14.535 1.00 0.00 C ATOM 355 CD ARG A 25 -9.426 0.201 -14.074 1.00 0.00 C ATOM 356 NE ARG A 25 -9.771 -1.214 -13.971 1.00 0.00 N ATOM 357 CZ ARG A 25 -10.845 -1.665 -13.333 1.00 0.00 C ATOM 358 NH1 ARG A 25 -11.674 -0.815 -12.743 1.00 0.00 N ATOM 359 NH2 ARG A 25 -11.091 -2.968 -13.283 1.00 0.00 N ATOM 0 H ARG A 25 -5.018 2.047 -12.574 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.807 1.422 -15.361 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.339 1.529 -12.834 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -8.035 2.504 -14.113 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.966 0.489 -15.622 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.394 -0.464 -14.267 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -9.567 0.680 -13.105 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -10.105 0.689 -14.773 1.00 0.00 H new ATOM 0 HE ARG A 25 -9.153 -1.894 -14.414 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -11.487 0.187 -12.779 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -12.498 -1.163 -12.254 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.455 -3.625 -13.735 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.916 -3.313 -12.793 1.00 0.00 H new ATOM 373 N PHE A 26 -4.740 4.056 -14.338 1.00 0.00 N ATOM 374 CA PHE A 26 -4.505 5.478 -14.561 1.00 0.00 C ATOM 375 C PHE A 26 -4.400 5.784 -16.052 1.00 0.00 C ATOM 376 O PHE A 26 -5.141 6.613 -16.582 1.00 0.00 O ATOM 377 CB PHE A 26 -3.228 5.924 -13.846 1.00 0.00 C ATOM 378 CG PHE A 26 -2.787 7.312 -14.215 1.00 0.00 C ATOM 379 CD1 PHE A 26 -3.704 8.348 -14.284 1.00 0.00 C ATOM 380 CD2 PHE A 26 -1.457 7.580 -14.493 1.00 0.00 C ATOM 381 CE1 PHE A 26 -3.302 9.626 -14.624 1.00 0.00 C ATOM 382 CE2 PHE A 26 -1.048 8.856 -14.833 1.00 0.00 C ATOM 383 CZ PHE A 26 -1.972 9.880 -14.897 1.00 0.00 C ATOM 0 H PHE A 26 -3.979 3.573 -13.860 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.352 6.029 -14.153 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.389 5.877 -12.769 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.427 5.223 -14.079 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.745 8.155 -14.070 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.731 6.782 -14.444 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.027 10.425 -14.676 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.008 9.052 -15.048 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.655 10.878 -15.160 1.00 0.00 H new ATOM 393 N LEU A 27 -3.473 5.110 -16.725 1.00 0.00 N ATOM 394 CA LEU A 27 -3.269 5.309 -18.155 1.00 0.00 C ATOM 395 C LEU A 27 -4.563 5.076 -18.928 1.00 0.00 C ATOM 396 O LEU A 27 -4.931 5.869 -19.794 1.00 0.00 O ATOM 397 CB LEU A 27 -2.178 4.369 -18.671 1.00 0.00 C ATOM 398 CG LEU A 27 -1.297 4.916 -19.795 1.00 0.00 C ATOM 399 CD1 LEU A 27 -0.311 3.857 -20.264 1.00 0.00 C ATOM 400 CD2 LEU A 27 -2.153 5.401 -20.955 1.00 0.00 C ATOM 0 H LEU A 27 -2.851 4.421 -16.303 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.955 6.341 -18.311 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.536 4.096 -17.834 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.652 3.452 -19.022 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.731 5.763 -19.408 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.307 4.264 -21.064 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.325 3.557 -19.431 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.857 2.989 -20.634 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.509 5.787 -21.746 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.745 4.572 -21.342 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.818 6.192 -20.610 1.00 0.00 H new ATOM 412 N GLU A 28 -5.251 3.985 -18.605 1.00 0.00 N ATOM 413 CA GLU A 28 -6.505 3.649 -19.269 1.00 0.00 C ATOM 414 C GLU A 28 -7.532 4.763 -19.086 1.00 0.00 C ATOM 415 O GLU A 28 -8.176 5.191 -20.044 1.00 0.00 O ATOM 416 CB GLU A 28 -7.061 2.333 -18.720 1.00 0.00 C ATOM 417 CG GLU A 28 -8.013 1.631 -19.674 1.00 0.00 C ATOM 418 CD GLU A 28 -8.077 0.134 -19.437 1.00 0.00 C ATOM 419 OE1 GLU A 28 -7.147 -0.575 -19.874 1.00 0.00 O ATOM 420 OE2 GLU A 28 -9.057 -0.327 -18.816 1.00 0.00 O ATOM 0 H GLU A 28 -4.961 3.320 -17.888 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.304 3.534 -20.334 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.231 1.665 -18.491 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.580 2.530 -17.782 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.011 2.056 -19.564 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.698 1.820 -20.700 1.00 0.00 H new ATOM 427 N SER A 29 -7.679 5.228 -17.850 1.00 0.00 N ATOM 428 CA SER A 29 -8.630 6.289 -17.540 1.00 0.00 C ATOM 429 C SER A 29 -8.370 7.520 -18.402 1.00 0.00 C ATOM 430 O SER A 29 -9.287 8.066 -19.017 1.00 0.00 O ATOM 431 CB SER A 29 -8.546 6.662 -16.059 1.00 0.00 C ATOM 432 OG SER A 29 -9.696 7.381 -15.648 1.00 0.00 O ATOM 0 H SER A 29 -7.152 4.887 -17.046 1.00 0.00 H new ATOM 0 HA SER A 29 -9.632 5.920 -17.758 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.445 5.758 -15.458 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.655 7.264 -15.882 1.00 0.00 H new ATOM 0 HG SER A 29 -10.385 6.752 -15.347 1.00 0.00 H new ATOM 438 N PHE A 30 -7.114 7.953 -18.442 1.00 0.00 N ATOM 439 CA PHE A 30 -6.732 9.120 -19.228 1.00 0.00 C ATOM 440 C PHE A 30 -7.041 8.906 -20.706 1.00 0.00 C ATOM 441 O PHE A 30 -7.540 9.804 -21.384 1.00 0.00 O ATOM 442 CB PHE A 30 -5.243 9.419 -19.044 1.00 0.00 C ATOM 443 CG PHE A 30 -4.803 10.696 -19.701 1.00 0.00 C ATOM 444 CD1 PHE A 30 -4.576 10.746 -21.067 1.00 0.00 C ATOM 445 CD2 PHE A 30 -4.615 11.847 -18.952 1.00 0.00 C ATOM 446 CE1 PHE A 30 -4.172 11.920 -21.675 1.00 0.00 C ATOM 447 CE2 PHE A 30 -4.211 13.024 -19.554 1.00 0.00 C ATOM 448 CZ PHE A 30 -3.988 13.060 -20.917 1.00 0.00 C ATOM 0 H PHE A 30 -6.343 7.513 -17.939 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.313 9.972 -18.874 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.020 9.472 -17.978 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.661 8.591 -19.450 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.716 9.857 -21.664 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.786 11.824 -17.886 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.001 11.946 -22.741 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.070 13.915 -18.959 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.670 13.978 -21.389 1.00 0.00 H new ATOM 458 N SER A 31 -6.740 7.708 -21.200 1.00 0.00 N ATOM 459 CA SER A 31 -6.981 7.376 -22.599 1.00 0.00 C ATOM 460 C SER A 31 -8.451 7.571 -22.959 1.00 0.00 C ATOM 461 O SER A 31 -8.777 8.227 -23.947 1.00 0.00 O ATOM 462 CB SER A 31 -6.563 5.932 -22.881 1.00 0.00 C ATOM 463 OG SER A 31 -5.180 5.745 -22.638 1.00 0.00 O ATOM 0 H SER A 31 -6.329 6.952 -20.652 1.00 0.00 H new ATOM 0 HA SER A 31 -6.382 8.048 -23.214 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.141 5.254 -22.253 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.791 5.680 -23.917 1.00 0.00 H new ATOM 0 HG SER A 31 -5.012 5.760 -21.673 1.00 0.00 H new ATOM 469 N GLU A 32 -9.334 6.997 -22.147 1.00 0.00 N ATOM 470 CA GLU A 32 -10.769 7.106 -22.380 1.00 0.00 C ATOM 471 C GLU A 32 -11.238 8.549 -22.213 1.00 0.00 C ATOM 472 O GLU A 32 -12.153 9.000 -22.904 1.00 0.00 O ATOM 473 CB GLU A 32 -11.535 6.195 -21.419 1.00 0.00 C ATOM 474 CG GLU A 32 -11.180 4.724 -21.562 1.00 0.00 C ATOM 475 CD GLU A 32 -11.087 4.285 -23.011 1.00 0.00 C ATOM 476 OE1 GLU A 32 -12.149 4.087 -23.639 1.00 0.00 O ATOM 477 OE2 GLU A 32 -9.955 4.138 -23.515 1.00 0.00 O ATOM 0 H GLU A 32 -9.080 6.452 -21.323 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.970 6.792 -23.404 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.335 6.511 -20.395 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.605 6.320 -21.588 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.228 4.534 -21.067 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.931 4.121 -21.051 1.00 0.00 H new ATOM 484 N LEU A 33 -10.607 9.267 -21.291 1.00 0.00 N ATOM 485 CA LEU A 33 -10.959 10.659 -21.032 1.00 0.00 C ATOM 486 C LEU A 33 -10.727 11.519 -22.270 1.00 0.00 C ATOM 487 O LEU A 33 -11.556 12.361 -22.618 1.00 0.00 O ATOM 488 CB LEU A 33 -10.141 11.202 -19.859 1.00 0.00 C ATOM 489 CG LEU A 33 -10.753 12.383 -19.104 1.00 0.00 C ATOM 490 CD1 LEU A 33 -10.848 13.603 -20.007 1.00 0.00 C ATOM 491 CD2 LEU A 33 -12.125 12.013 -18.558 1.00 0.00 C ATOM 0 H LEU A 33 -9.849 8.909 -20.710 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.018 10.699 -20.778 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.975 10.390 -19.151 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.162 11.503 -20.233 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.103 12.629 -18.264 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.286 14.433 -19.452 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.851 13.881 -20.349 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.475 13.371 -20.868 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.546 12.865 -18.024 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.784 11.741 -19.383 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.029 11.168 -17.876 1.00 0.00 H new ATOM 503 N TYR A 34 -9.597 11.301 -22.933 1.00 0.00 N ATOM 504 CA TYR A 34 -9.256 12.056 -24.132 1.00 0.00 C ATOM 505 C TYR A 34 -10.332 11.894 -25.202 1.00 0.00 C ATOM 506 O TYR A 34 -10.458 12.724 -26.102 1.00 0.00 O ATOM 507 CB TYR A 34 -7.903 11.600 -24.680 1.00 0.00 C ATOM 508 CG TYR A 34 -7.645 12.044 -26.103 1.00 0.00 C ATOM 509 CD1 TYR A 34 -7.646 13.391 -26.442 1.00 0.00 C ATOM 510 CD2 TYR A 34 -7.401 11.116 -27.107 1.00 0.00 C ATOM 511 CE1 TYR A 34 -7.412 13.801 -27.740 1.00 0.00 C ATOM 512 CE2 TYR A 34 -7.164 11.517 -28.408 1.00 0.00 C ATOM 513 CZ TYR A 34 -7.171 12.860 -28.719 1.00 0.00 C ATOM 514 OH TYR A 34 -6.936 13.264 -30.014 1.00 0.00 O ATOM 0 H TYR A 34 -8.901 10.607 -22.660 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.194 13.110 -23.861 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.111 11.987 -24.038 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.849 10.512 -24.632 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.833 14.131 -25.677 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.396 10.063 -26.867 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.418 14.852 -27.987 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.974 10.782 -29.177 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.783 12.478 -30.579 1.00 0.00 H new ATOM 524 N ASP A 35 -11.104 10.818 -25.097 1.00 0.00 N ATOM 525 CA ASP A 35 -12.171 10.546 -26.053 1.00 0.00 C ATOM 526 C ASP A 35 -13.476 11.200 -25.612 1.00 0.00 C ATOM 527 O ASP A 35 -14.019 12.056 -26.311 1.00 0.00 O ATOM 528 CB ASP A 35 -12.369 9.038 -26.212 1.00 0.00 C ATOM 529 CG ASP A 35 -11.934 8.536 -27.575 1.00 0.00 C ATOM 530 OD1 ASP A 35 -12.648 8.808 -28.563 1.00 0.00 O ATOM 531 OD2 ASP A 35 -10.879 7.873 -27.653 1.00 0.00 O ATOM 0 H ASP A 35 -11.011 10.120 -24.359 1.00 0.00 H new ATOM 0 HA ASP A 35 -11.881 10.970 -27.014 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.804 8.517 -25.439 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.420 8.794 -26.057 1.00 0.00 H new ATOM 536 N ILE A 36 -13.974 10.790 -24.451 1.00 0.00 N ATOM 537 CA ILE A 36 -15.216 11.337 -23.917 1.00 0.00 C ATOM 538 C ILE A 36 -15.169 12.860 -23.866 1.00 0.00 C ATOM 539 O ILE A 36 -16.187 13.529 -24.046 1.00 0.00 O ATOM 540 CB ILE A 36 -15.508 10.796 -22.505 1.00 0.00 C ATOM 541 CG1 ILE A 36 -16.881 11.273 -22.026 1.00 0.00 C ATOM 542 CG2 ILE A 36 -14.421 11.234 -21.535 1.00 0.00 C ATOM 543 CD1 ILE A 36 -17.298 10.679 -20.699 1.00 0.00 C ATOM 0 H ILE A 36 -13.537 10.081 -23.862 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.014 11.023 -24.590 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.516 9.707 -22.544 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.870 12.360 -21.941 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.628 11.020 -22.779 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.641 10.844 -20.541 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -13.458 10.850 -21.870 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.384 12.323 -21.497 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -18.280 11.061 -20.422 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.342 9.593 -20.784 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.573 10.954 -19.933 1.00 0.00 H new ATOM 555 N ILE A 37 -13.981 13.402 -23.622 1.00 0.00 N ATOM 556 CA ILE A 37 -13.801 14.847 -23.551 1.00 0.00 C ATOM 557 C ILE A 37 -14.239 15.520 -24.847 1.00 0.00 C ATOM 558 O ILE A 37 -14.670 16.673 -24.845 1.00 0.00 O ATOM 559 CB ILE A 37 -12.334 15.218 -23.263 1.00 0.00 C ATOM 560 CG1 ILE A 37 -12.225 16.693 -22.874 1.00 0.00 C ATOM 561 CG2 ILE A 37 -11.464 14.918 -24.475 1.00 0.00 C ATOM 562 CD1 ILE A 37 -12.285 16.930 -21.381 1.00 0.00 C ATOM 0 H ILE A 37 -13.129 12.863 -23.470 1.00 0.00 H new ATOM 0 HA ILE A 37 -14.425 15.203 -22.731 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.979 14.615 -22.427 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -11.288 17.094 -23.260 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -13.031 17.248 -23.355 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.430 15.185 -24.256 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.522 13.855 -24.710 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.816 15.498 -25.328 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.202 17.998 -21.178 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -13.233 16.560 -20.992 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.463 16.404 -20.896 1.00 0.00 H new ATOM 574 N ASP A 38 -14.126 14.792 -25.953 1.00 0.00 N ATOM 575 CA ASP A 38 -14.513 15.317 -27.257 1.00 0.00 C ATOM 576 C ASP A 38 -15.972 15.764 -27.251 1.00 0.00 C ATOM 577 O ASP A 38 -16.354 16.674 -27.985 1.00 0.00 O ATOM 578 CB ASP A 38 -14.294 14.261 -28.341 1.00 0.00 C ATOM 579 CG ASP A 38 -14.403 14.836 -29.740 1.00 0.00 C ATOM 580 OD1 ASP A 38 -13.724 15.846 -30.020 1.00 0.00 O ATOM 581 OD2 ASP A 38 -15.167 14.277 -30.554 1.00 0.00 O ATOM 0 H ASP A 38 -13.769 13.837 -25.972 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.887 16.183 -27.473 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.310 13.811 -28.212 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -15.027 13.464 -28.221 1.00 0.00 H new ATOM 586 N GLU A 39 -16.781 15.115 -26.420 1.00 0.00 N ATOM 587 CA GLU A 39 -18.198 15.445 -26.321 1.00 0.00 C ATOM 588 C GLU A 39 -18.486 16.235 -25.048 1.00 0.00 C ATOM 589 O GLU A 39 -17.801 16.076 -24.038 1.00 0.00 O ATOM 590 CB GLU A 39 -19.044 14.170 -26.345 1.00 0.00 C ATOM 591 CG GLU A 39 -18.783 13.289 -27.555 1.00 0.00 C ATOM 592 CD GLU A 39 -19.729 12.106 -27.630 1.00 0.00 C ATOM 593 OE1 GLU A 39 -19.462 11.089 -26.956 1.00 0.00 O ATOM 594 OE2 GLU A 39 -20.736 12.198 -28.362 1.00 0.00 O ATOM 0 H GLU A 39 -16.480 14.358 -25.806 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.461 16.064 -27.179 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -18.847 13.596 -25.439 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -20.099 14.444 -26.326 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -18.881 13.886 -28.462 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -17.756 12.926 -27.521 1.00 0.00 H new ATOM 601 N ASN A 40 -19.503 17.089 -25.105 1.00 0.00 N ATOM 602 CA ASN A 40 -19.881 17.906 -23.958 1.00 0.00 C ATOM 603 C ASN A 40 -21.146 17.365 -23.298 1.00 0.00 C ATOM 604 O ASN A 40 -22.097 18.108 -23.055 1.00 0.00 O ATOM 605 CB ASN A 40 -20.097 19.358 -24.388 1.00 0.00 C ATOM 606 CG ASN A 40 -21.002 19.473 -25.601 1.00 0.00 C ATOM 607 OD1 ASN A 40 -20.434 19.267 -26.783 1.00 0.00 O flip ATOM 608 ND2 ASN A 40 -22.196 19.743 -25.474 1.00 0.00 N flip ATOM 0 H ASN A 40 -20.080 17.233 -25.934 1.00 0.00 H new ATOM 0 HA ASN A 40 -19.069 17.867 -23.232 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -20.531 19.919 -23.560 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -19.133 19.815 -24.612 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -22.589 19.893 -24.545 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -22.793 19.817 -26.298 1.00 0.00 H new ATOM 615 N ASP A 41 -21.149 16.068 -23.011 1.00 0.00 N ATOM 616 CA ASP A 41 -22.296 15.427 -22.378 1.00 0.00 C ATOM 617 C ASP A 41 -22.054 15.233 -20.885 1.00 0.00 C ATOM 618 O ASP A 41 -21.155 14.494 -20.480 1.00 0.00 O ATOM 619 CB ASP A 41 -22.584 14.079 -23.040 1.00 0.00 C ATOM 620 CG ASP A 41 -23.148 14.230 -24.439 1.00 0.00 C ATOM 621 OD1 ASP A 41 -22.891 15.275 -25.074 1.00 0.00 O ATOM 622 OD2 ASP A 41 -23.846 13.303 -24.900 1.00 0.00 O ATOM 0 H ASP A 41 -20.370 15.440 -23.207 1.00 0.00 H new ATOM 0 HA ASP A 41 -23.161 16.078 -22.506 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -21.665 13.495 -23.083 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -23.289 13.519 -22.426 1.00 0.00 H new ATOM 627 N THR A 42 -22.861 15.903 -20.067 1.00 0.00 N ATOM 628 CA THR A 42 -22.733 15.806 -18.619 1.00 0.00 C ATOM 629 C THR A 42 -23.491 14.599 -18.079 1.00 0.00 C ATOM 630 O THR A 42 -23.151 14.061 -17.025 1.00 0.00 O ATOM 631 CB THR A 42 -23.254 17.078 -17.923 1.00 0.00 C ATOM 632 OG1 THR A 42 -22.948 18.231 -18.716 1.00 0.00 O ATOM 633 CG2 THR A 42 -22.638 17.229 -16.540 1.00 0.00 C ATOM 0 H THR A 42 -23.610 16.519 -20.384 1.00 0.00 H new ATOM 0 HA THR A 42 -21.671 15.691 -18.403 1.00 0.00 H new ATOM 0 HB THR A 42 -24.335 16.989 -17.814 1.00 0.00 H new ATOM 0 HG1 THR A 42 -23.284 19.035 -18.268 1.00 0.00 H new ATOM 0 HG21 THR A 42 -23.021 18.134 -16.068 1.00 0.00 H new ATOM 0 HG22 THR A 42 -22.897 16.364 -15.930 1.00 0.00 H new ATOM 0 HG23 THR A 42 -21.554 17.297 -16.630 1.00 0.00 H new ATOM 641 N ASP A 43 -24.518 14.177 -18.808 1.00 0.00 N ATOM 642 CA ASP A 43 -25.324 13.031 -18.403 1.00 0.00 C ATOM 643 C ASP A 43 -24.468 11.772 -18.308 1.00 0.00 C ATOM 644 O ASP A 43 -24.692 10.920 -17.448 1.00 0.00 O ATOM 645 CB ASP A 43 -26.469 12.811 -19.392 1.00 0.00 C ATOM 646 CG ASP A 43 -27.626 13.763 -19.160 1.00 0.00 C ATOM 647 OD1 ASP A 43 -27.495 14.655 -18.296 1.00 0.00 O ATOM 648 OD2 ASP A 43 -28.662 13.615 -19.842 1.00 0.00 O ATOM 0 H ASP A 43 -24.812 14.611 -19.683 1.00 0.00 H new ATOM 0 HA ASP A 43 -25.741 13.241 -17.418 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -26.096 12.938 -20.409 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -26.825 11.784 -19.309 1.00 0.00 H new ATOM 653 N VAL A 44 -23.487 11.661 -19.198 1.00 0.00 N ATOM 654 CA VAL A 44 -22.597 10.506 -19.215 1.00 0.00 C ATOM 655 C VAL A 44 -21.397 10.723 -18.300 1.00 0.00 C ATOM 656 O VAL A 44 -20.784 9.767 -17.826 1.00 0.00 O ATOM 657 CB VAL A 44 -22.094 10.205 -20.640 1.00 0.00 C ATOM 658 CG1 VAL A 44 -21.312 11.388 -21.191 1.00 0.00 C ATOM 659 CG2 VAL A 44 -21.246 8.943 -20.650 1.00 0.00 C ATOM 0 H VAL A 44 -23.288 12.357 -19.917 1.00 0.00 H new ATOM 0 HA VAL A 44 -23.176 9.656 -18.855 1.00 0.00 H new ATOM 0 HB VAL A 44 -22.957 10.039 -21.284 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -20.965 11.157 -22.198 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -21.956 12.267 -21.222 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -20.455 11.588 -20.549 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -20.899 8.746 -21.664 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -20.387 9.077 -19.992 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -21.843 8.101 -20.300 1.00 0.00 H new ATOM 669 N MET A 45 -21.068 11.988 -18.056 1.00 0.00 N ATOM 670 CA MET A 45 -19.942 12.331 -17.195 1.00 0.00 C ATOM 671 C MET A 45 -20.056 11.631 -15.845 1.00 0.00 C ATOM 672 O MET A 45 -19.119 10.971 -15.397 1.00 0.00 O ATOM 673 CB MET A 45 -19.870 13.845 -16.993 1.00 0.00 C ATOM 674 CG MET A 45 -18.858 14.271 -15.941 1.00 0.00 C ATOM 675 SD MET A 45 -18.189 15.917 -16.246 1.00 0.00 S ATOM 676 CE MET A 45 -16.432 15.572 -16.258 1.00 0.00 C ATOM 0 H MET A 45 -21.565 12.791 -18.442 1.00 0.00 H new ATOM 0 HA MET A 45 -19.028 11.993 -17.683 1.00 0.00 H new ATOM 0 HB2 MET A 45 -19.616 14.318 -17.942 1.00 0.00 H new ATOM 0 HB3 MET A 45 -20.856 14.212 -16.707 1.00 0.00 H new ATOM 0 HG2 MET A 45 -19.331 14.252 -14.959 1.00 0.00 H new ATOM 0 HG3 MET A 45 -18.041 13.550 -15.916 1.00 0.00 H new ATOM 0 HE1 MET A 45 -15.881 16.483 -16.027 1.00 0.00 H new ATOM 0 HE2 MET A 45 -16.205 14.811 -15.511 1.00 0.00 H new ATOM 0 HE3 MET A 45 -16.139 15.211 -17.244 1.00 0.00 H new ATOM 686 N MET A 46 -21.209 11.779 -15.202 1.00 0.00 N ATOM 687 CA MET A 46 -21.445 11.160 -13.903 1.00 0.00 C ATOM 688 C MET A 46 -21.131 9.668 -13.947 1.00 0.00 C ATOM 689 O MET A 46 -20.450 9.141 -13.067 1.00 0.00 O ATOM 690 CB MET A 46 -22.896 11.375 -13.468 1.00 0.00 C ATOM 691 CG MET A 46 -23.913 10.963 -14.520 1.00 0.00 C ATOM 692 SD MET A 46 -25.593 11.465 -14.096 1.00 0.00 S ATOM 693 CE MET A 46 -26.277 9.911 -13.527 1.00 0.00 C ATOM 0 H MET A 46 -21.995 12.322 -15.559 1.00 0.00 H new ATOM 0 HA MET A 46 -20.782 11.632 -13.178 1.00 0.00 H new ATOM 0 HB2 MET A 46 -23.081 10.809 -12.555 1.00 0.00 H new ATOM 0 HB3 MET A 46 -23.042 12.428 -13.226 1.00 0.00 H new ATOM 0 HG2 MET A 46 -23.637 11.403 -15.478 1.00 0.00 H new ATOM 0 HG3 MET A 46 -23.882 9.881 -14.646 1.00 0.00 H new ATOM 0 HE1 MET A 46 -27.315 10.058 -13.228 1.00 0.00 H new ATOM 0 HE2 MET A 46 -26.231 9.177 -14.332 1.00 0.00 H new ATOM 0 HE3 MET A 46 -25.702 9.551 -12.674 1.00 0.00 H new ATOM 703 N ASP A 47 -21.631 8.993 -14.976 1.00 0.00 N ATOM 704 CA ASP A 47 -21.403 7.561 -15.134 1.00 0.00 C ATOM 705 C ASP A 47 -19.911 7.255 -15.219 1.00 0.00 C ATOM 706 O ASP A 47 -19.443 6.242 -14.699 1.00 0.00 O ATOM 707 CB ASP A 47 -22.114 7.045 -16.386 1.00 0.00 C ATOM 708 CG ASP A 47 -22.456 5.571 -16.292 1.00 0.00 C ATOM 709 OD1 ASP A 47 -21.840 4.871 -15.461 1.00 0.00 O ATOM 710 OD2 ASP A 47 -23.340 5.118 -17.048 1.00 0.00 O ATOM 0 H ASP A 47 -22.197 9.414 -15.713 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.811 7.054 -14.259 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -23.028 7.618 -16.543 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -21.479 7.213 -17.256 1.00 0.00 H new ATOM 715 N PHE A 48 -19.167 8.137 -15.880 1.00 0.00 N ATOM 716 CA PHE A 48 -17.728 7.960 -16.035 1.00 0.00 C ATOM 717 C PHE A 48 -17.017 8.085 -14.690 1.00 0.00 C ATOM 718 O PHE A 48 -16.259 7.199 -14.293 1.00 0.00 O ATOM 719 CB PHE A 48 -17.169 8.991 -17.017 1.00 0.00 C ATOM 720 CG PHE A 48 -15.668 9.030 -17.056 1.00 0.00 C ATOM 721 CD1 PHE A 48 -14.956 8.088 -17.781 1.00 0.00 C ATOM 722 CD2 PHE A 48 -14.969 10.009 -16.369 1.00 0.00 C ATOM 723 CE1 PHE A 48 -13.575 8.121 -17.818 1.00 0.00 C ATOM 724 CE2 PHE A 48 -13.588 10.048 -16.402 1.00 0.00 C ATOM 725 CZ PHE A 48 -12.890 9.103 -17.129 1.00 0.00 C ATOM 0 H PHE A 48 -19.537 8.981 -16.317 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.550 6.959 -16.429 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -17.545 8.770 -18.016 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -17.543 9.978 -16.747 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -15.486 7.319 -18.323 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -15.510 10.751 -15.801 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -13.032 7.380 -18.385 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.055 10.816 -15.860 1.00 0.00 H new ATOM 0 HZ PHE A 48 -11.811 9.132 -17.159 1.00 0.00 H new ATOM 735 N ILE A 49 -17.267 9.189 -13.995 1.00 0.00 N ATOM 736 CA ILE A 49 -16.652 9.429 -12.696 1.00 0.00 C ATOM 737 C ILE A 49 -16.927 8.277 -11.736 1.00 0.00 C ATOM 738 O ILE A 49 -16.030 7.817 -11.029 1.00 0.00 O ATOM 739 CB ILE A 49 -17.160 10.740 -12.066 1.00 0.00 C ATOM 740 CG1 ILE A 49 -16.855 11.925 -12.985 1.00 0.00 C ATOM 741 CG2 ILE A 49 -16.530 10.948 -10.697 1.00 0.00 C ATOM 742 CD1 ILE A 49 -17.730 13.131 -12.727 1.00 0.00 C ATOM 0 H ILE A 49 -17.891 9.932 -14.310 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.578 9.509 -12.865 1.00 0.00 H new ATOM 0 HB ILE A 49 -18.241 10.671 -11.940 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -15.811 12.211 -12.861 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -16.979 11.612 -14.022 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.898 11.878 -10.264 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -16.793 10.115 -10.045 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.446 11.000 -10.799 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -17.458 13.932 -13.415 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -18.775 12.862 -12.879 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.589 13.470 -11.701 1.00 0.00 H new ATOM 754 N SER A 50 -18.173 7.814 -11.718 1.00 0.00 N ATOM 755 CA SER A 50 -18.567 6.716 -10.843 1.00 0.00 C ATOM 756 C SER A 50 -18.014 5.389 -11.353 1.00 0.00 C ATOM 757 O SER A 50 -17.741 4.477 -10.573 1.00 0.00 O ATOM 758 CB SER A 50 -20.092 6.640 -10.740 1.00 0.00 C ATOM 759 OG SER A 50 -20.586 7.569 -9.791 1.00 0.00 O ATOM 0 H SER A 50 -18.926 8.182 -12.299 1.00 0.00 H new ATOM 0 HA SER A 50 -18.152 6.906 -9.853 1.00 0.00 H new ATOM 0 HB2 SER A 50 -20.536 6.841 -11.715 1.00 0.00 H new ATOM 0 HB3 SER A 50 -20.391 5.631 -10.455 1.00 0.00 H new ATOM 0 HG SER A 50 -21.563 7.502 -9.745 1.00 0.00 H new ATOM 765 N ARG A 51 -17.852 5.289 -12.669 1.00 0.00 N ATOM 766 CA ARG A 51 -17.334 4.074 -13.285 1.00 0.00 C ATOM 767 C ARG A 51 -15.891 3.820 -12.856 1.00 0.00 C ATOM 768 O ARG A 51 -15.536 2.708 -12.466 1.00 0.00 O ATOM 769 CB ARG A 51 -17.413 4.176 -14.809 1.00 0.00 C ATOM 770 CG ARG A 51 -16.703 3.043 -15.533 1.00 0.00 C ATOM 771 CD ARG A 51 -17.051 3.024 -17.013 1.00 0.00 C ATOM 772 NE ARG A 51 -15.970 2.469 -17.822 1.00 0.00 N ATOM 773 CZ ARG A 51 -15.756 1.166 -17.969 1.00 0.00 C ATOM 774 NH1 ARG A 51 -16.545 0.289 -17.365 1.00 0.00 N ATOM 775 NH2 ARG A 51 -14.750 0.738 -18.722 1.00 0.00 N ATOM 0 H ARG A 51 -18.072 6.035 -13.329 1.00 0.00 H new ATOM 0 HA ARG A 51 -17.947 3.237 -12.951 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -18.461 4.188 -15.110 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -16.980 5.125 -15.124 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -15.625 3.152 -15.413 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -16.980 2.091 -15.081 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -17.956 2.436 -17.165 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -17.270 4.038 -17.347 1.00 0.00 H new ATOM 0 HE ARG A 51 -15.345 3.117 -18.301 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -17.319 0.614 -16.785 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -16.378 -0.711 -17.480 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -14.140 1.410 -19.188 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -14.587 -0.263 -18.834 1.00 0.00 H new ATOM 789 N PHE A 52 -15.065 4.858 -12.932 1.00 0.00 N ATOM 790 CA PHE A 52 -13.662 4.747 -12.553 1.00 0.00 C ATOM 791 C PHE A 52 -13.485 4.955 -11.052 1.00 0.00 C ATOM 792 O PHE A 52 -12.961 4.089 -10.352 1.00 0.00 O ATOM 793 CB PHE A 52 -12.822 5.769 -13.323 1.00 0.00 C ATOM 794 CG PHE A 52 -12.428 5.308 -14.697 1.00 0.00 C ATOM 795 CD1 PHE A 52 -13.278 5.498 -15.775 1.00 0.00 C ATOM 796 CD2 PHE A 52 -11.209 4.685 -14.911 1.00 0.00 C ATOM 797 CE1 PHE A 52 -12.919 5.074 -17.041 1.00 0.00 C ATOM 798 CE2 PHE A 52 -10.845 4.259 -16.174 1.00 0.00 C ATOM 799 CZ PHE A 52 -11.700 4.455 -17.241 1.00 0.00 C ATOM 0 H PHE A 52 -15.343 5.785 -13.253 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.322 3.742 -12.805 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.384 6.699 -13.408 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.921 5.992 -12.751 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -14.231 5.983 -15.624 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -10.536 4.531 -14.081 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -13.591 5.226 -17.873 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.893 3.773 -16.327 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.416 4.125 -18.229 1.00 0.00 H new ATOM 809 N ALA A 53 -13.927 6.110 -10.564 1.00 0.00 N ATOM 810 CA ALA A 53 -13.820 6.432 -9.147 1.00 0.00 C ATOM 811 C ALA A 53 -14.817 5.624 -8.323 1.00 0.00 C ATOM 812 O ALA A 53 -16.026 5.838 -8.412 1.00 0.00 O ATOM 813 CB ALA A 53 -14.035 7.922 -8.926 1.00 0.00 C ATOM 0 H ALA A 53 -14.363 6.838 -11.130 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.816 6.168 -8.815 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.952 8.148 -7.863 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -13.280 8.484 -9.476 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -15.027 8.203 -9.280 1.00 0.00 H new ATOM 819 N ARG A 54 -14.303 4.695 -7.524 1.00 0.00 N ATOM 820 CA ARG A 54 -15.149 3.854 -6.686 1.00 0.00 C ATOM 821 C ARG A 54 -15.715 4.649 -5.513 1.00 0.00 C ATOM 822 O ARG A 54 -14.980 5.337 -4.803 1.00 0.00 O ATOM 823 CB ARG A 54 -14.357 2.653 -6.168 1.00 0.00 C ATOM 824 CG ARG A 54 -15.197 1.667 -5.371 1.00 0.00 C ATOM 825 CD ARG A 54 -14.332 0.800 -4.469 1.00 0.00 C ATOM 826 NE ARG A 54 -13.760 -0.335 -5.187 1.00 0.00 N ATOM 827 CZ ARG A 54 -14.478 -1.360 -5.635 1.00 0.00 C ATOM 828 NH1 ARG A 54 -15.789 -1.390 -5.439 1.00 0.00 N ATOM 829 NH2 ARG A 54 -13.884 -2.356 -6.280 1.00 0.00 N ATOM 0 H ARG A 54 -13.304 4.506 -7.439 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.980 3.497 -7.295 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.907 2.133 -7.014 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.540 3.010 -5.542 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.923 2.211 -4.767 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.762 1.033 -6.054 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.529 1.404 -4.047 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.930 0.436 -3.633 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.754 -0.342 -5.354 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.248 -0.626 -4.944 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.338 -2.177 -5.784 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.876 -2.335 -6.432 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -14.436 -3.142 -6.623 1.00 0.00 H new ATOM 961 N LYS A 63 -1.139 6.563 -2.018 1.00 0.00 N ATOM 962 CA LYS A 63 -0.250 7.685 -2.295 1.00 0.00 C ATOM 963 C LYS A 63 -0.434 8.186 -3.723 1.00 0.00 C ATOM 964 O LYS A 63 -0.853 7.437 -4.607 1.00 0.00 O ATOM 965 CB LYS A 63 1.207 7.274 -2.071 1.00 0.00 C ATOM 966 CG LYS A 63 1.688 7.488 -0.646 1.00 0.00 C ATOM 967 CD LYS A 63 2.864 6.586 -0.313 1.00 0.00 C ATOM 968 CE LYS A 63 3.329 6.783 1.122 1.00 0.00 C ATOM 969 NZ LYS A 63 4.780 6.487 1.281 1.00 0.00 N ATOM 0 HA LYS A 63 -0.503 8.494 -1.610 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.323 6.222 -2.330 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.844 7.841 -2.750 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.978 8.530 -0.512 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.871 7.293 0.048 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.580 5.545 -0.465 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.688 6.794 -0.995 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.132 7.810 1.430 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.752 6.136 1.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.057 6.633 2.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.964 5.500 1.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.333 7.121 0.670 1.00 0.00 H new ATOM 983 N THR A 64 -0.118 9.458 -3.945 1.00 0.00 N ATOM 984 CA THR A 64 -0.248 10.059 -5.266 1.00 0.00 C ATOM 985 C THR A 64 0.942 9.707 -6.151 1.00 0.00 C ATOM 986 O THR A 64 2.084 10.044 -5.836 1.00 0.00 O ATOM 987 CB THR A 64 -0.371 11.592 -5.177 1.00 0.00 C ATOM 988 OG1 THR A 64 -0.781 11.974 -3.859 1.00 0.00 O ATOM 989 CG2 THR A 64 -1.370 12.115 -6.197 1.00 0.00 C ATOM 0 H THR A 64 0.230 10.092 -3.226 1.00 0.00 H new ATOM 0 HA THR A 64 -1.158 9.654 -5.708 1.00 0.00 H new ATOM 0 HB THR A 64 0.605 12.027 -5.394 1.00 0.00 H new ATOM 0 HG1 THR A 64 -0.855 12.950 -3.810 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.440 13.200 -6.115 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.039 11.847 -7.201 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.348 11.673 -6.008 1.00 0.00 H new ATOM 997 N VAL A 65 0.669 9.027 -7.260 1.00 0.00 N ATOM 998 CA VAL A 65 1.718 8.630 -8.192 1.00 0.00 C ATOM 999 C VAL A 65 1.526 9.294 -9.551 1.00 0.00 C ATOM 1000 O VAL A 65 2.476 9.455 -10.315 1.00 0.00 O ATOM 1001 CB VAL A 65 1.754 7.102 -8.379 1.00 0.00 C ATOM 1002 CG1 VAL A 65 0.397 6.588 -8.836 1.00 0.00 C ATOM 1003 CG2 VAL A 65 2.842 6.712 -9.368 1.00 0.00 C ATOM 0 H VAL A 65 -0.270 8.739 -7.535 1.00 0.00 H new ATOM 0 HA VAL A 65 2.664 8.958 -7.762 1.00 0.00 H new ATOM 0 HB VAL A 65 1.986 6.641 -7.419 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.442 5.506 -8.963 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.356 6.835 -8.088 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.132 7.054 -9.785 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.853 5.629 -9.488 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.643 7.182 -10.331 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.810 7.046 -8.994 1.00 0.00 H new ATOM 1013 N GLY A 66 0.287 9.677 -9.846 1.00 0.00 N ATOM 1014 CA GLY A 66 -0.008 10.320 -11.113 1.00 0.00 C ATOM 1015 C GLY A 66 -1.060 11.403 -10.983 1.00 0.00 C ATOM 1016 O GLY A 66 -2.213 11.123 -10.656 1.00 0.00 O ATOM 0 H GLY A 66 -0.517 9.553 -9.230 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.906 10.753 -11.519 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.349 9.570 -11.827 1.00 0.00 H new ATOM 1020 N PHE A 67 -0.662 12.645 -11.238 1.00 0.00 N ATOM 1021 CA PHE A 67 -1.579 13.776 -11.145 1.00 0.00 C ATOM 1022 C PHE A 67 -1.780 14.427 -12.510 1.00 0.00 C ATOM 1023 O PHE A 67 -0.817 14.711 -13.223 1.00 0.00 O ATOM 1024 CB PHE A 67 -1.049 14.808 -10.148 1.00 0.00 C ATOM 1025 CG PHE A 67 -2.127 15.644 -9.519 1.00 0.00 C ATOM 1026 CD1 PHE A 67 -2.891 16.506 -10.290 1.00 0.00 C ATOM 1027 CD2 PHE A 67 -2.378 15.567 -8.159 1.00 0.00 C ATOM 1028 CE1 PHE A 67 -3.883 17.277 -9.714 1.00 0.00 C ATOM 1029 CE2 PHE A 67 -3.369 16.335 -7.578 1.00 0.00 C ATOM 1030 CZ PHE A 67 -4.124 17.190 -8.357 1.00 0.00 C ATOM 0 H PHE A 67 0.289 12.894 -11.511 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.542 13.404 -10.795 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -0.496 14.292 -9.363 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.343 15.464 -10.657 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.709 16.576 -11.352 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.792 14.899 -7.545 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.469 17.947 -10.325 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.553 16.267 -6.516 1.00 0.00 H new ATOM 0 HZ PHE A 67 -4.901 17.789 -7.906 1.00 0.00 H new ATOM 1040 N VAL A 68 -3.039 14.661 -12.868 1.00 0.00 N ATOM 1041 CA VAL A 68 -3.368 15.279 -14.147 1.00 0.00 C ATOM 1042 C VAL A 68 -4.350 16.430 -13.964 1.00 0.00 C ATOM 1043 O VAL A 68 -5.361 16.295 -13.275 1.00 0.00 O ATOM 1044 CB VAL A 68 -3.971 14.254 -15.126 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -4.322 14.921 -16.447 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -3.010 13.095 -15.343 1.00 0.00 C ATOM 0 H VAL A 68 -3.848 14.432 -12.290 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.437 15.663 -14.563 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.889 13.858 -14.691 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.747 14.182 -17.126 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.050 15.714 -16.272 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.422 15.346 -16.890 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.452 12.381 -16.037 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.074 13.471 -15.756 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.814 12.602 -14.391 1.00 0.00 H new ATOM 1056 N VAL A 69 -4.046 17.564 -14.587 1.00 0.00 N ATOM 1057 CA VAL A 69 -4.903 18.741 -14.495 1.00 0.00 C ATOM 1058 C VAL A 69 -5.640 18.987 -15.806 1.00 0.00 C ATOM 1059 O VAL A 69 -5.022 19.142 -16.859 1.00 0.00 O ATOM 1060 CB VAL A 69 -4.092 19.998 -14.130 1.00 0.00 C ATOM 1061 CG1 VAL A 69 -5.020 21.171 -13.854 1.00 0.00 C ATOM 1062 CG2 VAL A 69 -3.195 19.725 -12.933 1.00 0.00 C ATOM 0 H VAL A 69 -3.213 17.693 -15.161 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.628 18.544 -13.706 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.458 20.258 -14.978 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.429 22.050 -13.598 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.616 21.381 -14.742 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.682 20.924 -13.024 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.629 20.624 -12.689 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.807 19.438 -12.078 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.505 18.916 -13.173 1.00 0.00 H new ATOM 1072 N VAL A 70 -6.967 19.024 -15.735 1.00 0.00 N ATOM 1073 CA VAL A 70 -7.790 19.253 -16.916 1.00 0.00 C ATOM 1074 C VAL A 70 -8.899 20.259 -16.626 1.00 0.00 C ATOM 1075 O VAL A 70 -9.842 19.964 -15.893 1.00 0.00 O ATOM 1076 CB VAL A 70 -8.421 17.943 -17.424 1.00 0.00 C ATOM 1077 CG1 VAL A 70 -9.226 18.194 -18.690 1.00 0.00 C ATOM 1078 CG2 VAL A 70 -7.346 16.894 -17.665 1.00 0.00 C ATOM 0 H VAL A 70 -7.495 18.898 -14.871 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.132 19.653 -17.687 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.100 17.566 -16.659 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.664 17.257 -19.034 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.020 18.911 -18.480 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.571 18.594 -19.464 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.809 15.975 -18.024 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.641 17.260 -18.411 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.817 16.694 -16.733 1.00 0.00 H new ATOM 1088 N ASN A 71 -8.779 21.448 -17.208 1.00 0.00 N ATOM 1089 CA ASN A 71 -9.771 22.499 -17.012 1.00 0.00 C ATOM 1090 C ASN A 71 -10.159 23.135 -18.343 1.00 0.00 C ATOM 1091 O ASN A 71 -9.481 24.038 -18.832 1.00 0.00 O ATOM 1092 CB ASN A 71 -9.231 23.568 -16.061 1.00 0.00 C ATOM 1093 CG ASN A 71 -8.590 22.971 -14.823 1.00 0.00 C ATOM 1094 OD1 ASN A 71 -8.995 21.907 -14.353 1.00 0.00 O ATOM 1095 ND2 ASN A 71 -7.585 23.655 -14.288 1.00 0.00 N ATOM 0 H ASN A 71 -8.005 21.708 -17.819 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.660 22.048 -16.572 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.499 24.181 -16.586 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.045 24.229 -15.763 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.115 23.303 -13.454 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.283 24.532 -14.711 1.00 0.00 H new ATOM 1102 N ALA A 72 -11.256 22.658 -18.923 1.00 0.00 N ATOM 1103 CA ALA A 72 -11.736 23.182 -20.196 1.00 0.00 C ATOM 1104 C ALA A 72 -12.173 24.636 -20.061 1.00 0.00 C ATOM 1105 O ALA A 72 -12.207 25.378 -21.043 1.00 0.00 O ATOM 1106 CB ALA A 72 -12.883 22.330 -20.718 1.00 0.00 C ATOM 0 H ALA A 72 -11.829 21.910 -18.532 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.914 23.142 -20.911 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.232 22.733 -21.669 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.539 21.306 -20.862 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -13.701 22.340 -19.998 1.00 0.00 H new ATOM 1112 N ASP A 73 -12.508 25.038 -18.840 1.00 0.00 N ATOM 1113 CA ASP A 73 -12.943 26.404 -18.576 1.00 0.00 C ATOM 1114 C ASP A 73 -11.817 27.396 -18.851 1.00 0.00 C ATOM 1115 O ASP A 73 -11.993 28.362 -19.594 1.00 0.00 O ATOM 1116 CB ASP A 73 -13.418 26.541 -17.129 1.00 0.00 C ATOM 1117 CG ASP A 73 -12.450 25.921 -16.141 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -12.558 24.702 -15.890 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -11.584 26.653 -15.620 1.00 0.00 O ATOM 0 H ASP A 73 -12.486 24.436 -18.017 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.773 26.630 -19.245 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.549 27.597 -16.891 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.394 26.067 -17.024 1.00 0.00 H new ATOM 1124 N LYS A 74 -10.659 27.151 -18.246 1.00 0.00 N ATOM 1125 CA LYS A 74 -9.503 28.021 -18.425 1.00 0.00 C ATOM 1126 C LYS A 74 -8.552 27.454 -19.474 1.00 0.00 C ATOM 1127 O LYS A 74 -7.437 27.946 -19.648 1.00 0.00 O ATOM 1128 CB LYS A 74 -8.765 28.201 -17.096 1.00 0.00 C ATOM 1129 CG LYS A 74 -9.472 29.134 -16.129 1.00 0.00 C ATOM 1130 CD LYS A 74 -9.192 30.592 -16.454 1.00 0.00 C ATOM 1131 CE LYS A 74 -7.843 31.035 -15.910 1.00 0.00 C ATOM 1132 NZ LYS A 74 -7.649 32.506 -16.039 1.00 0.00 N ATOM 0 H LYS A 74 -10.497 26.357 -17.627 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.860 28.991 -18.771 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.642 27.226 -16.623 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.765 28.587 -17.295 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.546 28.952 -16.166 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.147 28.918 -15.111 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.215 30.736 -17.534 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.979 31.217 -16.032 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.762 30.749 -14.861 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.048 30.516 -16.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.718 32.768 -15.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.700 32.776 -17.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.393 33.002 -15.508 1.00 0.00 H new ATOM 1146 N LYS A 75 -9.001 26.417 -20.173 1.00 0.00 N ATOM 1147 CA LYS A 75 -8.192 25.784 -21.208 1.00 0.00 C ATOM 1148 C LYS A 75 -6.809 25.424 -20.674 1.00 0.00 C ATOM 1149 O LYS A 75 -5.798 25.641 -21.343 1.00 0.00 O ATOM 1150 CB LYS A 75 -8.057 26.711 -22.418 1.00 0.00 C ATOM 1151 CG LYS A 75 -9.390 27.158 -22.992 1.00 0.00 C ATOM 1152 CD LYS A 75 -9.253 28.452 -23.778 1.00 0.00 C ATOM 1153 CE LYS A 75 -8.901 28.185 -25.233 1.00 0.00 C ATOM 1154 NZ LYS A 75 -9.216 29.353 -26.103 1.00 0.00 N ATOM 0 H LYS A 75 -9.921 25.997 -20.041 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.694 24.867 -21.515 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.482 27.591 -22.129 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.489 26.200 -23.195 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.788 26.378 -23.641 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.107 27.297 -22.183 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.187 29.012 -23.725 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.482 29.075 -23.324 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.840 27.948 -25.313 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.450 27.311 -25.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.962 29.132 -27.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.233 29.563 -26.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.673 30.181 -25.783 1.00 0.00 H new ATOM 1168 N LEU A 76 -6.772 24.872 -19.466 1.00 0.00 N ATOM 1169 CA LEU A 76 -5.512 24.481 -18.842 1.00 0.00 C ATOM 1170 C LEU A 76 -5.404 22.963 -18.739 1.00 0.00 C ATOM 1171 O LEU A 76 -6.183 22.322 -18.033 1.00 0.00 O ATOM 1172 CB LEU A 76 -5.392 25.107 -17.452 1.00 0.00 C ATOM 1173 CG LEU A 76 -5.311 26.634 -17.408 1.00 0.00 C ATOM 1174 CD1 LEU A 76 -5.185 27.121 -15.973 1.00 0.00 C ATOM 1175 CD2 LEU A 76 -4.142 27.130 -18.247 1.00 0.00 C ATOM 0 H LEU A 76 -7.599 24.685 -18.899 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.697 24.844 -19.468 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.250 24.791 -16.858 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.503 24.702 -16.969 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.231 27.040 -17.828 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.129 28.209 -15.962 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.054 26.797 -15.401 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.281 26.706 -15.526 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.099 28.218 -18.204 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.212 26.715 -17.857 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.276 26.812 -19.281 1.00 0.00 H new ATOM 1187 N MET A 77 -4.433 22.394 -19.447 1.00 0.00 N ATOM 1188 CA MET A 77 -4.222 20.952 -19.432 1.00 0.00 C ATOM 1189 C MET A 77 -2.779 20.618 -19.068 1.00 0.00 C ATOM 1190 O MET A 77 -1.841 21.083 -19.717 1.00 0.00 O ATOM 1191 CB MET A 77 -4.569 20.350 -20.795 1.00 0.00 C ATOM 1192 CG MET A 77 -5.861 20.888 -21.386 1.00 0.00 C ATOM 1193 SD MET A 77 -7.292 20.569 -20.335 1.00 0.00 S ATOM 1194 CE MET A 77 -8.629 20.793 -21.506 1.00 0.00 C ATOM 0 H MET A 77 -3.781 22.910 -20.038 1.00 0.00 H new ATOM 0 HA MET A 77 -4.878 20.522 -18.675 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.752 20.548 -21.489 1.00 0.00 H new ATOM 0 HB3 MET A 77 -4.648 19.267 -20.695 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.764 21.962 -21.545 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.025 20.435 -22.364 1.00 0.00 H new ATOM 0 HE1 MET A 77 -9.583 20.629 -21.005 1.00 0.00 H new ATOM 0 HE2 MET A 77 -8.598 21.807 -21.904 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.521 20.079 -22.323 1.00 0.00 H new ATOM 1204 N SER A 78 -2.607 19.809 -18.027 1.00 0.00 N ATOM 1205 CA SER A 78 -1.278 19.417 -17.574 1.00 0.00 C ATOM 1206 C SER A 78 -1.260 17.953 -17.145 1.00 0.00 C ATOM 1207 O SER A 78 -2.280 17.405 -16.725 1.00 0.00 O ATOM 1208 CB SER A 78 -0.827 20.306 -16.414 1.00 0.00 C ATOM 1209 OG SER A 78 -0.079 21.415 -16.881 1.00 0.00 O ATOM 0 H SER A 78 -3.372 19.412 -17.482 1.00 0.00 H new ATOM 0 HA SER A 78 -0.586 19.542 -18.407 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.698 20.658 -15.862 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.223 19.723 -15.719 1.00 0.00 H new ATOM 0 HG SER A 78 0.196 21.968 -16.120 1.00 0.00 H new ATOM 1215 N VAL A 79 -0.094 17.325 -17.253 1.00 0.00 N ATOM 1216 CA VAL A 79 0.058 15.925 -16.875 1.00 0.00 C ATOM 1217 C VAL A 79 1.424 15.670 -16.248 1.00 0.00 C ATOM 1218 O VAL A 79 2.456 16.023 -16.818 1.00 0.00 O ATOM 1219 CB VAL A 79 -0.118 14.993 -18.089 1.00 0.00 C ATOM 1220 CG1 VAL A 79 -0.958 13.782 -17.715 1.00 0.00 C ATOM 1221 CG2 VAL A 79 -0.743 15.748 -19.253 1.00 0.00 C ATOM 0 H VAL A 79 0.759 17.763 -17.599 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.721 15.709 -16.144 1.00 0.00 H new ATOM 0 HB VAL A 79 0.865 14.640 -18.401 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.072 13.135 -18.585 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.465 13.230 -16.915 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.941 14.111 -17.377 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.860 15.075 -20.102 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.719 16.131 -18.956 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.098 16.580 -19.536 1.00 0.00 H new ATOM 1231 N SER A 80 1.423 15.055 -15.069 1.00 0.00 N ATOM 1232 CA SER A 80 2.662 14.756 -14.362 1.00 0.00 C ATOM 1233 C SER A 80 2.512 13.499 -13.510 1.00 0.00 C ATOM 1234 O SER A 80 1.869 13.520 -12.460 1.00 0.00 O ATOM 1235 CB SER A 80 3.069 15.938 -13.480 1.00 0.00 C ATOM 1236 OG SER A 80 4.406 15.803 -13.030 1.00 0.00 O ATOM 0 H SER A 80 0.578 14.754 -14.584 1.00 0.00 H new ATOM 0 HA SER A 80 3.441 14.580 -15.104 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.963 16.867 -14.040 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.399 16.004 -12.623 1.00 0.00 H new ATOM 0 HG SER A 80 4.642 16.572 -12.470 1.00 0.00 H new ATOM 1242 N PHE A 81 3.109 12.405 -13.970 1.00 0.00 N ATOM 1243 CA PHE A 81 3.042 11.138 -13.253 1.00 0.00 C ATOM 1244 C PHE A 81 4.429 10.516 -13.115 1.00 0.00 C ATOM 1245 O PHE A 81 5.392 10.980 -13.725 1.00 0.00 O ATOM 1246 CB PHE A 81 2.105 10.167 -13.975 1.00 0.00 C ATOM 1247 CG PHE A 81 2.331 10.108 -15.459 1.00 0.00 C ATOM 1248 CD1 PHE A 81 3.402 9.401 -15.982 1.00 0.00 C ATOM 1249 CD2 PHE A 81 1.473 10.760 -16.330 1.00 0.00 C ATOM 1250 CE1 PHE A 81 3.612 9.346 -17.347 1.00 0.00 C ATOM 1251 CE2 PHE A 81 1.679 10.708 -17.696 1.00 0.00 C ATOM 1252 CZ PHE A 81 2.749 9.999 -18.205 1.00 0.00 C ATOM 0 H PHE A 81 3.645 12.371 -14.837 1.00 0.00 H new ATOM 0 HA PHE A 81 2.651 11.335 -12.255 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.235 9.169 -13.556 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.073 10.461 -13.784 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.080 8.888 -15.316 1.00 0.00 H new ATOM 0 HD2 PHE A 81 0.634 11.315 -15.937 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.451 8.792 -17.743 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.004 11.221 -18.364 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.911 9.955 -19.272 1.00 0.00 H new ATOM 1262 N SER A 82 4.522 9.464 -12.308 1.00 0.00 N ATOM 1263 CA SER A 82 5.790 8.780 -12.086 1.00 0.00 C ATOM 1264 C SER A 82 6.448 8.411 -13.412 1.00 0.00 C ATOM 1265 O SER A 82 5.822 7.803 -14.280 1.00 0.00 O ATOM 1266 CB SER A 82 5.576 7.522 -11.243 1.00 0.00 C ATOM 1267 OG SER A 82 6.476 6.495 -11.621 1.00 0.00 O ATOM 0 H SER A 82 3.734 9.067 -11.797 1.00 0.00 H new ATOM 0 HA SER A 82 6.451 9.460 -11.549 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.713 7.760 -10.188 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.550 7.172 -11.360 1.00 0.00 H new ATOM 0 HG SER A 82 6.320 5.702 -11.066 1.00 0.00 H new ATOM 1273 N ASP A 83 7.714 8.784 -13.561 1.00 0.00 N ATOM 1274 CA ASP A 83 8.459 8.492 -14.781 1.00 0.00 C ATOM 1275 C ASP A 83 8.406 7.003 -15.107 1.00 0.00 C ATOM 1276 O ASP A 83 9.051 6.190 -14.444 1.00 0.00 O ATOM 1277 CB ASP A 83 9.913 8.944 -14.636 1.00 0.00 C ATOM 1278 CG ASP A 83 10.040 10.447 -14.483 1.00 0.00 C ATOM 1279 OD1 ASP A 83 9.929 10.938 -13.340 1.00 0.00 O ATOM 1280 OD2 ASP A 83 10.250 11.132 -15.506 1.00 0.00 O ATOM 0 H ASP A 83 8.246 9.289 -12.853 1.00 0.00 H new ATOM 0 HA ASP A 83 7.996 9.041 -15.601 1.00 0.00 H new ATOM 0 HB2 ASP A 83 10.358 8.455 -13.769 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.479 8.622 -15.510 1.00 0.00 H new ATOM 1285 N ILE A 84 7.633 6.654 -16.129 1.00 0.00 N ATOM 1286 CA ILE A 84 7.496 5.262 -16.542 1.00 0.00 C ATOM 1287 C ILE A 84 8.306 4.981 -17.803 1.00 0.00 C ATOM 1288 O ILE A 84 9.030 5.847 -18.294 1.00 0.00 O ATOM 1289 CB ILE A 84 6.023 4.894 -16.799 1.00 0.00 C ATOM 1290 CG1 ILE A 84 5.456 5.736 -17.944 1.00 0.00 C ATOM 1291 CG2 ILE A 84 5.200 5.088 -15.535 1.00 0.00 C ATOM 1292 CD1 ILE A 84 4.011 5.426 -18.264 1.00 0.00 C ATOM 0 H ILE A 84 7.092 7.315 -16.687 1.00 0.00 H new ATOM 0 HA ILE A 84 7.877 4.651 -15.724 1.00 0.00 H new ATOM 0 HB ILE A 84 5.972 3.844 -17.085 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.544 6.791 -17.686 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.060 5.574 -18.837 1.00 0.00 H new ATOM 0 HG21 ILE A 84 4.161 4.824 -15.733 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.592 4.449 -14.744 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.256 6.130 -15.221 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.676 6.060 -19.085 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.919 4.379 -18.553 1.00 0.00 H new ATOM 0 HD13 ILE A 84 3.395 5.615 -17.385 1.00 0.00 H new ATOM 1304 N ASP A 85 8.178 3.765 -18.322 1.00 0.00 N ATOM 1305 CA ASP A 85 8.897 3.369 -19.528 1.00 0.00 C ATOM 1306 C ASP A 85 8.681 4.384 -20.647 1.00 0.00 C ATOM 1307 O ASP A 85 7.619 4.998 -20.744 1.00 0.00 O ATOM 1308 CB ASP A 85 8.443 1.982 -19.986 1.00 0.00 C ATOM 1309 CG ASP A 85 8.500 0.957 -18.871 1.00 0.00 C ATOM 1310 OD1 ASP A 85 9.601 0.739 -18.322 1.00 0.00 O ATOM 1311 OD2 ASP A 85 7.445 0.372 -18.547 1.00 0.00 O ATOM 0 H ASP A 85 7.583 3.036 -17.927 1.00 0.00 H new ATOM 0 HA ASP A 85 9.961 3.335 -19.293 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.424 2.044 -20.367 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.072 1.651 -20.812 1.00 0.00 H new ATOM 1316 N GLU A 86 9.696 4.555 -21.488 1.00 0.00 N ATOM 1317 CA GLU A 86 9.616 5.496 -22.598 1.00 0.00 C ATOM 1318 C GLU A 86 8.575 5.047 -23.619 1.00 0.00 C ATOM 1319 O GLU A 86 7.838 5.864 -24.170 1.00 0.00 O ATOM 1320 CB GLU A 86 10.982 5.638 -23.275 1.00 0.00 C ATOM 1321 CG GLU A 86 11.542 4.325 -23.795 1.00 0.00 C ATOM 1322 CD GLU A 86 13.058 4.319 -23.850 1.00 0.00 C ATOM 1323 OE1 GLU A 86 13.615 4.745 -24.884 1.00 0.00 O ATOM 1324 OE2 GLU A 86 13.686 3.889 -22.861 1.00 0.00 O ATOM 0 H GLU A 86 10.582 4.055 -21.422 1.00 0.00 H new ATOM 0 HA GLU A 86 9.314 6.464 -22.198 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.896 6.341 -24.104 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.688 6.068 -22.564 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.202 3.510 -23.155 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.145 4.134 -24.792 1.00 0.00 H new ATOM 1331 N ASN A 87 8.522 3.743 -23.867 1.00 0.00 N ATOM 1332 CA ASN A 87 7.572 3.184 -24.822 1.00 0.00 C ATOM 1333 C ASN A 87 6.154 3.658 -24.520 1.00 0.00 C ATOM 1334 O ASN A 87 5.420 4.067 -25.420 1.00 0.00 O ATOM 1335 CB ASN A 87 7.627 1.655 -24.794 1.00 0.00 C ATOM 1336 CG ASN A 87 9.049 1.128 -24.791 1.00 0.00 C ATOM 1337 OD1 ASN A 87 9.532 0.618 -23.780 1.00 0.00 O ATOM 1338 ND2 ASN A 87 9.727 1.250 -25.926 1.00 0.00 N ATOM 0 H ASN A 87 9.126 3.053 -23.420 1.00 0.00 H new ATOM 0 HA ASN A 87 7.849 3.533 -25.817 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.106 1.291 -23.908 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.097 1.259 -25.661 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.688 0.914 -25.984 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.286 1.680 -26.740 1.00 0.00 H new ATOM 1345 N MET A 88 5.775 3.601 -23.247 1.00 0.00 N ATOM 1346 CA MET A 88 4.445 4.027 -22.826 1.00 0.00 C ATOM 1347 C MET A 88 4.352 5.549 -22.775 1.00 0.00 C ATOM 1348 O MET A 88 3.277 6.122 -22.950 1.00 0.00 O ATOM 1349 CB MET A 88 4.108 3.437 -21.456 1.00 0.00 C ATOM 1350 CG MET A 88 2.630 3.131 -21.273 1.00 0.00 C ATOM 1351 SD MET A 88 2.138 1.586 -22.061 1.00 0.00 S ATOM 1352 CE MET A 88 1.169 0.833 -20.757 1.00 0.00 C ATOM 0 H MET A 88 6.370 3.264 -22.490 1.00 0.00 H new ATOM 0 HA MET A 88 3.725 3.662 -23.558 1.00 0.00 H new ATOM 0 HB2 MET A 88 4.681 2.521 -21.313 1.00 0.00 H new ATOM 0 HB3 MET A 88 4.425 4.135 -20.681 1.00 0.00 H new ATOM 0 HG2 MET A 88 2.403 3.080 -20.208 1.00 0.00 H new ATOM 0 HG3 MET A 88 2.040 3.949 -21.686 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.444 -0.217 -20.659 1.00 0.00 H new ATOM 0 HE2 MET A 88 1.363 1.348 -19.816 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.109 0.909 -21.001 1.00 0.00 H new ATOM 1362 N LYS A 89 5.486 6.198 -22.534 1.00 0.00 N ATOM 1363 CA LYS A 89 5.534 7.654 -22.460 1.00 0.00 C ATOM 1364 C LYS A 89 5.004 8.281 -23.746 1.00 0.00 C ATOM 1365 O LYS A 89 4.266 9.266 -23.710 1.00 0.00 O ATOM 1366 CB LYS A 89 6.967 8.125 -22.202 1.00 0.00 C ATOM 1367 CG LYS A 89 7.048 9.479 -21.518 1.00 0.00 C ATOM 1368 CD LYS A 89 7.044 10.615 -22.526 1.00 0.00 C ATOM 1369 CE LYS A 89 8.455 10.972 -22.969 1.00 0.00 C ATOM 1370 NZ LYS A 89 9.233 11.618 -21.876 1.00 0.00 N ATOM 0 H LYS A 89 6.385 5.739 -22.386 1.00 0.00 H new ATOM 0 HA LYS A 89 4.900 7.973 -21.633 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.479 7.385 -21.586 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.501 8.174 -23.151 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.206 9.594 -20.836 1.00 0.00 H new ATOM 0 HG3 LYS A 89 7.955 9.529 -20.916 1.00 0.00 H new ATOM 0 HD2 LYS A 89 6.450 10.330 -23.394 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.567 11.491 -22.087 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.971 10.070 -23.298 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.407 11.643 -23.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.024 12.156 -22.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 8.614 12.262 -21.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 9.605 10.887 -21.236 1.00 0.00 H new ATOM 1384 N LYS A 90 5.385 7.704 -24.881 1.00 0.00 N ATOM 1385 CA LYS A 90 4.947 8.205 -26.178 1.00 0.00 C ATOM 1386 C LYS A 90 3.426 8.176 -26.287 1.00 0.00 C ATOM 1387 O LYS A 90 2.804 9.155 -26.702 1.00 0.00 O ATOM 1388 CB LYS A 90 5.565 7.372 -27.304 1.00 0.00 C ATOM 1389 CG LYS A 90 5.464 8.028 -28.671 1.00 0.00 C ATOM 1390 CD LYS A 90 6.688 8.876 -28.973 1.00 0.00 C ATOM 1391 CE LYS A 90 6.525 10.296 -28.453 1.00 0.00 C ATOM 1392 NZ LYS A 90 7.353 11.266 -29.221 1.00 0.00 N ATOM 0 H LYS A 90 5.996 6.889 -24.928 1.00 0.00 H new ATOM 0 HA LYS A 90 5.281 9.238 -26.272 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.615 7.188 -27.075 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.072 6.401 -27.339 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.354 7.260 -29.437 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.570 8.650 -28.712 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.568 8.420 -28.520 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.859 8.899 -30.049 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.476 10.587 -28.513 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.806 10.332 -27.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.214 12.222 -28.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.356 11.004 -29.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.068 11.251 -30.221 1.00 0.00 H new ATOM 1406 N VAL A 91 2.831 7.049 -25.910 1.00 0.00 N ATOM 1407 CA VAL A 91 1.382 6.894 -25.963 1.00 0.00 C ATOM 1408 C VAL A 91 0.687 7.924 -25.079 1.00 0.00 C ATOM 1409 O VAL A 91 -0.161 8.685 -25.546 1.00 0.00 O ATOM 1410 CB VAL A 91 0.952 5.482 -25.522 1.00 0.00 C ATOM 1411 CG1 VAL A 91 -0.563 5.350 -25.558 1.00 0.00 C ATOM 1412 CG2 VAL A 91 1.608 4.428 -26.400 1.00 0.00 C ATOM 0 H VAL A 91 3.330 6.229 -25.564 1.00 0.00 H new ATOM 0 HA VAL A 91 1.085 7.049 -27.000 1.00 0.00 H new ATOM 0 HB VAL A 91 1.282 5.324 -24.495 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.848 4.346 -25.243 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.008 6.082 -24.884 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.920 5.527 -26.573 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.293 3.436 -26.075 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.310 4.581 -27.437 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.692 4.510 -26.318 1.00 0.00 H new ATOM 1422 N ILE A 92 1.052 7.943 -23.802 1.00 0.00 N ATOM 1423 CA ILE A 92 0.465 8.881 -22.853 1.00 0.00 C ATOM 1424 C ILE A 92 0.668 10.322 -23.309 1.00 0.00 C ATOM 1425 O ILE A 92 -0.290 11.083 -23.444 1.00 0.00 O ATOM 1426 CB ILE A 92 1.067 8.709 -21.446 1.00 0.00 C ATOM 1427 CG1 ILE A 92 0.838 7.284 -20.940 1.00 0.00 C ATOM 1428 CG2 ILE A 92 0.463 9.722 -20.485 1.00 0.00 C ATOM 1429 CD1 ILE A 92 1.550 6.982 -19.640 1.00 0.00 C ATOM 0 H ILE A 92 1.752 7.319 -23.400 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.602 8.662 -22.811 1.00 0.00 H new ATOM 0 HB ILE A 92 2.141 8.886 -21.502 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.232 7.123 -20.805 1.00 0.00 H new ATOM 0 HG13 ILE A 92 1.173 6.579 -21.701 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.898 9.588 -19.495 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.673 10.731 -20.840 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.615 9.574 -20.431 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.342 5.954 -19.342 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.624 7.111 -19.775 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.197 7.663 -18.865 1.00 0.00 H new ATOM 1441 N LYS A 93 1.922 10.691 -23.545 1.00 0.00 N ATOM 1442 CA LYS A 93 2.253 12.040 -23.989 1.00 0.00 C ATOM 1443 C LYS A 93 1.470 12.407 -25.246 1.00 0.00 C ATOM 1444 O LYS A 93 1.083 13.560 -25.433 1.00 0.00 O ATOM 1445 CB LYS A 93 3.755 12.157 -24.258 1.00 0.00 C ATOM 1446 CG LYS A 93 4.205 13.569 -24.591 1.00 0.00 C ATOM 1447 CD LYS A 93 5.688 13.760 -24.320 1.00 0.00 C ATOM 1448 CE LYS A 93 6.189 15.085 -24.872 1.00 0.00 C ATOM 1449 NZ LYS A 93 7.527 15.444 -24.325 1.00 0.00 N ATOM 0 H LYS A 93 2.727 10.074 -23.436 1.00 0.00 H new ATOM 0 HA LYS A 93 1.978 12.734 -23.195 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.301 11.808 -23.381 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.020 11.496 -25.083 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.996 13.781 -25.639 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.631 14.283 -24.001 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.871 13.719 -23.246 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.250 12.941 -24.770 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.245 15.028 -25.959 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.475 15.872 -24.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.833 16.354 -24.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.469 15.524 -23.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.215 14.706 -24.577 1.00 0.00 H new ATOM 1463 N ALA A 94 1.240 11.418 -26.104 1.00 0.00 N ATOM 1464 CA ALA A 94 0.501 11.636 -27.341 1.00 0.00 C ATOM 1465 C ALA A 94 -0.965 11.945 -27.057 1.00 0.00 C ATOM 1466 O ALA A 94 -1.518 12.915 -27.576 1.00 0.00 O ATOM 1467 CB ALA A 94 0.621 10.421 -28.248 1.00 0.00 C ATOM 0 H ALA A 94 1.555 10.458 -25.965 1.00 0.00 H new ATOM 0 HA ALA A 94 0.935 12.498 -27.848 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.064 10.598 -29.168 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.670 10.247 -28.486 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.215 9.546 -27.740 1.00 0.00 H new ATOM 1473 N THR A 95 -1.591 11.113 -26.230 1.00 0.00 N ATOM 1474 CA THR A 95 -2.994 11.296 -25.879 1.00 0.00 C ATOM 1475 C THR A 95 -3.218 12.639 -25.194 1.00 0.00 C ATOM 1476 O THR A 95 -4.255 13.275 -25.380 1.00 0.00 O ATOM 1477 CB THR A 95 -3.492 10.171 -24.953 1.00 0.00 C ATOM 1478 OG1 THR A 95 -3.282 8.897 -25.573 1.00 0.00 O ATOM 1479 CG2 THR A 95 -4.969 10.347 -24.634 1.00 0.00 C ATOM 0 H THR A 95 -1.148 10.306 -25.791 1.00 0.00 H new ATOM 0 HA THR A 95 -3.560 11.267 -26.810 1.00 0.00 H new ATOM 0 HB THR A 95 -2.927 10.220 -24.022 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.321 8.713 -25.625 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.298 9.541 -23.979 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.122 11.305 -24.136 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.546 10.322 -25.558 1.00 0.00 H new ATOM 1487 N ALA A 96 -2.239 13.066 -24.403 1.00 0.00 N ATOM 1488 CA ALA A 96 -2.330 14.335 -23.693 1.00 0.00 C ATOM 1489 C ALA A 96 -2.044 15.508 -24.625 1.00 0.00 C ATOM 1490 O ALA A 96 -2.785 16.490 -24.645 1.00 0.00 O ATOM 1491 CB ALA A 96 -1.368 14.350 -22.514 1.00 0.00 C ATOM 0 H ALA A 96 -1.374 12.551 -24.238 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.348 14.441 -23.319 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.446 15.304 -21.993 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.619 13.540 -21.829 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.348 14.217 -22.875 1.00 0.00 H new ATOM 1497 N GLU A 97 -0.966 15.397 -25.395 1.00 0.00 N ATOM 1498 CA GLU A 97 -0.584 16.450 -26.329 1.00 0.00 C ATOM 1499 C GLU A 97 -1.623 16.598 -27.437 1.00 0.00 C ATOM 1500 O GLU A 97 -1.750 17.661 -28.046 1.00 0.00 O ATOM 1501 CB GLU A 97 0.787 16.148 -26.938 1.00 0.00 C ATOM 1502 CG GLU A 97 1.949 16.491 -26.020 1.00 0.00 C ATOM 1503 CD GLU A 97 3.260 16.638 -26.768 1.00 0.00 C ATOM 1504 OE1 GLU A 97 3.678 15.663 -27.429 1.00 0.00 O ATOM 1505 OE2 GLU A 97 3.868 17.726 -26.694 1.00 0.00 O ATOM 0 H GLU A 97 -0.343 14.590 -25.391 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.531 17.388 -25.777 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.837 15.090 -27.193 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.893 16.706 -27.868 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.729 17.420 -25.494 1.00 0.00 H new ATOM 0 HG3 GLU A 97 2.052 15.713 -25.264 1.00 0.00 H new ATOM 1512 N LYS A 98 -2.363 15.526 -27.693 1.00 0.00 N ATOM 1513 CA LYS A 98 -3.392 15.535 -28.726 1.00 0.00 C ATOM 1514 C LYS A 98 -4.469 16.569 -28.413 1.00 0.00 C ATOM 1515 O LYS A 98 -5.130 17.084 -29.315 1.00 0.00 O ATOM 1516 CB LYS A 98 -4.025 14.147 -28.857 1.00 0.00 C ATOM 1517 CG LYS A 98 -3.304 13.239 -29.838 1.00 0.00 C ATOM 1518 CD LYS A 98 -3.796 13.452 -31.259 1.00 0.00 C ATOM 1519 CE LYS A 98 -3.684 12.178 -32.084 1.00 0.00 C ATOM 1520 NZ LYS A 98 -2.287 11.666 -32.127 1.00 0.00 N ATOM 0 H LYS A 98 -2.270 14.638 -27.199 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.920 15.803 -29.671 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.040 13.670 -27.877 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.062 14.258 -29.173 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.232 13.429 -29.791 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.456 12.198 -29.551 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.834 13.784 -31.240 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.216 14.245 -31.731 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.338 11.414 -31.663 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.031 12.371 -33.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.233 10.858 -32.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.651 12.420 -32.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.999 11.362 -31.175 1.00 0.00 H new ATOM 1534 N PHE A 99 -4.639 16.869 -27.130 1.00 0.00 N ATOM 1535 CA PHE A 99 -5.635 17.843 -26.698 1.00 0.00 C ATOM 1536 C PHE A 99 -5.429 19.181 -27.401 1.00 0.00 C ATOM 1537 O PHE A 99 -6.367 19.960 -27.566 1.00 0.00 O ATOM 1538 CB PHE A 99 -5.567 18.035 -25.181 1.00 0.00 C ATOM 1539 CG PHE A 99 -6.364 17.021 -24.412 1.00 0.00 C ATOM 1540 CD1 PHE A 99 -5.862 15.748 -24.193 1.00 0.00 C ATOM 1541 CD2 PHE A 99 -7.614 17.340 -23.908 1.00 0.00 C ATOM 1542 CE1 PHE A 99 -6.592 14.812 -23.485 1.00 0.00 C ATOM 1543 CE2 PHE A 99 -8.349 16.408 -23.199 1.00 0.00 C ATOM 1544 CZ PHE A 99 -7.838 15.142 -22.988 1.00 0.00 C ATOM 0 H PHE A 99 -4.100 16.452 -26.371 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.620 17.461 -26.965 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.526 17.984 -24.863 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.928 19.033 -24.933 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.889 15.484 -24.580 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.019 18.328 -24.071 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.189 13.824 -23.320 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.322 16.670 -22.810 1.00 0.00 H new ATOM 0 HZ PHE A 99 -8.411 14.412 -22.436 1.00 0.00 H new ATOM 1554 N LYS A 100 -4.193 19.441 -27.815 1.00 0.00 N ATOM 1555 CA LYS A 100 -3.861 20.683 -28.501 1.00 0.00 C ATOM 1556 C LYS A 100 -4.602 20.785 -29.831 1.00 0.00 C ATOM 1557 O LYS A 100 -4.867 21.881 -30.322 1.00 0.00 O ATOM 1558 CB LYS A 100 -2.351 20.771 -28.739 1.00 0.00 C ATOM 1559 CG LYS A 100 -1.863 19.895 -29.879 1.00 0.00 C ATOM 1560 CD LYS A 100 -1.745 20.680 -31.175 1.00 0.00 C ATOM 1561 CE LYS A 100 -0.531 21.596 -31.163 1.00 0.00 C ATOM 1562 NZ LYS A 100 0.486 21.181 -32.169 1.00 0.00 N ATOM 0 H LYS A 100 -3.404 18.807 -27.687 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.172 21.513 -27.867 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.084 21.807 -28.948 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.830 20.486 -27.825 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -0.894 19.468 -29.622 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.551 19.062 -30.019 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.672 19.989 -32.015 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.647 21.272 -31.326 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.846 22.620 -31.366 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.082 21.592 -30.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.298 21.830 -32.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.806 20.213 -31.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.066 21.210 -33.120 1.00 0.00 H new ATOM 1576 N ASN A 101 -4.934 19.634 -30.407 1.00 0.00 N ATOM 1577 CA ASN A 101 -5.646 19.594 -31.680 1.00 0.00 C ATOM 1578 C ASN A 101 -6.911 20.446 -31.622 1.00 0.00 C ATOM 1579 O ASN A 101 -7.274 21.105 -32.597 1.00 0.00 O ATOM 1580 CB ASN A 101 -6.005 18.152 -32.042 1.00 0.00 C ATOM 1581 CG ASN A 101 -4.777 17.286 -32.253 1.00 0.00 C ATOM 1582 OD1 ASN A 101 -4.681 16.185 -31.711 1.00 0.00 O ATOM 1583 ND2 ASN A 101 -3.832 17.782 -33.042 1.00 0.00 N ATOM 0 H ASN A 101 -4.722 18.717 -30.013 1.00 0.00 H new ATOM 0 HA ASN A 101 -4.989 20.001 -32.449 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -6.617 17.723 -31.249 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -6.610 18.148 -32.949 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -2.983 17.246 -33.220 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -3.955 18.700 -33.470 1.00 0.00 H new ATOM 1590 N LYS A 102 -7.578 20.428 -30.473 1.00 0.00 N ATOM 1591 CA LYS A 102 -8.801 21.199 -30.286 1.00 0.00 C ATOM 1592 C LYS A 102 -8.482 22.655 -29.961 1.00 0.00 C ATOM 1593 O LYS A 102 -9.311 23.542 -30.161 1.00 0.00 O ATOM 1594 CB LYS A 102 -9.647 20.588 -29.166 1.00 0.00 C ATOM 1595 CG LYS A 102 -11.143 20.685 -29.412 1.00 0.00 C ATOM 1596 CD LYS A 102 -11.651 22.102 -29.205 1.00 0.00 C ATOM 1597 CE LYS A 102 -13.080 22.110 -28.682 1.00 0.00 C ATOM 1598 NZ LYS A 102 -13.389 23.358 -27.931 1.00 0.00 N ATOM 0 H LYS A 102 -7.292 19.887 -29.657 1.00 0.00 H new ATOM 0 HA LYS A 102 -9.366 21.169 -31.217 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.374 19.539 -29.047 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.408 21.088 -28.227 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -11.367 20.362 -30.429 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.668 20.007 -28.739 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.002 22.623 -28.502 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.604 22.648 -30.147 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.773 22.008 -29.517 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.234 21.248 -28.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.289 23.243 -27.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.628 23.550 -27.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.467 24.153 -28.596 1.00 0.00 H new ATOM 1612 N GLY A 103 -7.274 22.894 -29.459 1.00 0.00 N ATOM 1613 CA GLY A 103 -6.868 24.244 -29.116 1.00 0.00 C ATOM 1614 C GLY A 103 -6.812 24.470 -27.618 1.00 0.00 C ATOM 1615 O GLY A 103 -7.385 25.432 -27.106 1.00 0.00 O ATOM 0 H GLY A 103 -6.570 22.177 -29.284 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -5.888 24.446 -29.548 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -7.565 24.954 -29.562 1.00 0.00 H new ATOM 1619 N PHE A 104 -6.122 23.580 -26.912 1.00 0.00 N ATOM 1620 CA PHE A 104 -5.996 23.685 -25.463 1.00 0.00 C ATOM 1621 C PHE A 104 -4.538 23.557 -25.033 1.00 0.00 C ATOM 1622 O PHE A 104 -3.808 22.694 -25.522 1.00 0.00 O ATOM 1623 CB PHE A 104 -6.838 22.607 -24.777 1.00 0.00 C ATOM 1624 CG PHE A 104 -8.318 22.802 -24.949 1.00 0.00 C ATOM 1625 CD1 PHE A 104 -8.991 23.771 -24.223 1.00 0.00 C ATOM 1626 CD2 PHE A 104 -9.035 22.017 -25.838 1.00 0.00 C ATOM 1627 CE1 PHE A 104 -10.352 23.952 -24.379 1.00 0.00 C ATOM 1628 CE2 PHE A 104 -10.396 22.193 -25.998 1.00 0.00 C ATOM 1629 CZ PHE A 104 -11.056 23.163 -25.269 1.00 0.00 C ATOM 0 H PHE A 104 -5.642 22.778 -27.320 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.360 24.667 -25.162 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.559 21.631 -25.176 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.602 22.596 -23.713 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.446 24.392 -23.527 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -8.524 21.259 -26.413 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -10.865 24.710 -23.806 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -10.943 21.573 -26.692 1.00 0.00 H new ATOM 0 HZ PHE A 104 -12.119 23.305 -25.394 1.00 0.00 H new ATOM 1639 N LYS A 105 -4.120 24.422 -24.116 1.00 0.00 N ATOM 1640 CA LYS A 105 -2.749 24.408 -23.618 1.00 0.00 C ATOM 1641 C LYS A 105 -2.452 23.106 -22.881 1.00 0.00 C ATOM 1642 O LYS A 105 -2.953 22.876 -21.780 1.00 0.00 O ATOM 1643 CB LYS A 105 -2.510 25.599 -22.688 1.00 0.00 C ATOM 1644 CG LYS A 105 -1.183 25.539 -21.951 1.00 0.00 C ATOM 1645 CD LYS A 105 -0.015 25.425 -22.916 1.00 0.00 C ATOM 1646 CE LYS A 105 1.303 25.765 -22.238 1.00 0.00 C ATOM 1647 NZ LYS A 105 1.542 27.234 -22.193 1.00 0.00 N ATOM 0 H LYS A 105 -4.711 25.143 -23.702 1.00 0.00 H new ATOM 0 HA LYS A 105 -2.077 24.483 -24.473 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -2.551 26.519 -23.272 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.319 25.648 -21.959 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -1.065 26.433 -21.339 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -1.181 24.686 -21.273 1.00 0.00 H new ATOM 0 HD2 LYS A 105 0.031 24.412 -23.315 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -0.174 26.094 -23.762 1.00 0.00 H new ATOM 0 HE2 LYS A 105 1.303 25.366 -21.224 1.00 0.00 H new ATOM 0 HE3 LYS A 105 2.121 25.280 -22.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 2.450 27.424 -21.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 1.568 27.611 -23.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 0.775 27.694 -21.662 1.00 0.00 H new ATOM 1661 N VAL A 106 -1.633 22.258 -23.494 1.00 0.00 N ATOM 1662 CA VAL A 106 -1.266 20.980 -22.894 1.00 0.00 C ATOM 1663 C VAL A 106 0.210 20.953 -22.517 1.00 0.00 C ATOM 1664 O VAL A 106 1.075 21.271 -23.332 1.00 0.00 O ATOM 1665 CB VAL A 106 -1.562 19.807 -23.848 1.00 0.00 C ATOM 1666 CG1 VAL A 106 -0.768 19.954 -25.137 1.00 0.00 C ATOM 1667 CG2 VAL A 106 -1.255 18.480 -23.171 1.00 0.00 C ATOM 0 H VAL A 106 -1.211 22.432 -24.406 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.870 20.868 -21.993 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.623 19.824 -24.099 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -0.990 19.117 -25.798 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -1.042 20.887 -25.629 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.298 19.964 -24.909 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.470 17.662 -23.859 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.202 18.450 -22.889 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.872 18.375 -22.279 1.00 0.00 H new ATOM 1677 N GLU A 107 0.491 20.571 -21.275 1.00 0.00 N ATOM 1678 CA GLU A 107 1.865 20.503 -20.789 1.00 0.00 C ATOM 1679 C GLU A 107 2.104 19.212 -20.012 1.00 0.00 C ATOM 1680 O GLU A 107 1.587 19.032 -18.909 1.00 0.00 O ATOM 1681 CB GLU A 107 2.176 21.711 -19.902 1.00 0.00 C ATOM 1682 CG GLU A 107 3.641 22.113 -19.913 1.00 0.00 C ATOM 1683 CD GLU A 107 3.999 23.042 -18.769 1.00 0.00 C ATOM 1684 OE1 GLU A 107 3.118 23.315 -17.928 1.00 0.00 O ATOM 1685 OE2 GLU A 107 5.162 23.495 -18.716 1.00 0.00 O ATOM 0 H GLU A 107 -0.214 20.304 -20.587 1.00 0.00 H new ATOM 0 HA GLU A 107 2.530 20.515 -21.653 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.573 22.557 -20.231 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.877 21.486 -18.878 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.260 21.218 -19.857 1.00 0.00 H new ATOM 0 HG3 GLU A 107 3.873 22.602 -20.859 1.00 0.00 H new ATOM 1692 N THR A 108 2.891 18.314 -20.596 1.00 0.00 N ATOM 1693 CA THR A 108 3.198 17.039 -19.961 1.00 0.00 C ATOM 1694 C THR A 108 4.582 17.062 -19.322 1.00 0.00 C ATOM 1695 O THR A 108 5.461 17.811 -19.749 1.00 0.00 O ATOM 1696 CB THR A 108 3.130 15.877 -20.971 1.00 0.00 C ATOM 1697 OG1 THR A 108 3.910 16.190 -22.130 1.00 0.00 O ATOM 1698 CG2 THR A 108 1.692 15.600 -21.381 1.00 0.00 C ATOM 0 H THR A 108 3.327 18.447 -21.508 1.00 0.00 H new ATOM 0 HA THR A 108 2.446 16.882 -19.187 1.00 0.00 H new ATOM 0 HB THR A 108 3.533 14.984 -20.492 1.00 0.00 H new ATOM 0 HG1 THR A 108 4.511 15.443 -22.331 1.00 0.00 H new ATOM 0 HG21 THR A 108 1.669 14.776 -22.094 1.00 0.00 H new ATOM 0 HG22 THR A 108 1.107 15.334 -20.500 1.00 0.00 H new ATOM 0 HG23 THR A 108 1.267 16.491 -21.843 1.00 0.00 H new ATOM 1706 N ASP A 109 4.769 16.237 -18.298 1.00 0.00 N ATOM 1707 CA ASP A 109 6.048 16.161 -17.601 1.00 0.00 C ATOM 1708 C ASP A 109 7.148 15.665 -18.535 1.00 0.00 C ATOM 1709 O ASP A 109 7.150 14.505 -18.945 1.00 0.00 O ATOM 1710 CB ASP A 109 5.938 15.237 -16.387 1.00 0.00 C ATOM 1711 CG ASP A 109 7.237 15.145 -15.610 1.00 0.00 C ATOM 1712 OD1 ASP A 109 8.143 14.411 -16.056 1.00 0.00 O ATOM 1713 OD2 ASP A 109 7.346 15.805 -14.556 1.00 0.00 O ATOM 0 H ASP A 109 4.051 15.611 -17.932 1.00 0.00 H new ATOM 0 HA ASP A 109 6.309 17.164 -17.262 1.00 0.00 H new ATOM 0 HB2 ASP A 109 5.149 15.600 -15.728 1.00 0.00 H new ATOM 0 HB3 ASP A 109 5.644 14.241 -16.718 1.00 0.00 H new