USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 761 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 166:sc= 0.00152 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 GLN : amide:sc= -1.16 K(o=-1.2,f=-2.7!) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -128:sc= 0 (180deg=-1.02) USER MOD Single : A 13 THR OG1 : rot -171:sc= 0.0791 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 159:sc=-0.00633 (180deg=-0.3) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.292 K(o=-0.29,f=-1.5!) USER MOD Single : A 27 ASN : amide:sc=-0.00851 X(o=-0.0085,f=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0.00042) USER MOD Single : A 31 ASN : amide:sc= 0.0329 X(o=0.033,f=-0.23) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -2.61 K(o=-2.6,f=-8!) USER MOD Single : A 48 TYR OH : rot -146:sc= -1.26! USER MOD Single : A 50 MET CE :methyl -130:sc= -6.92! (180deg=-8.89!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0543 USER MOD Single : A 61 HIS : no HE2:sc= -12.4! C(o=-12!,f=-13!) USER MOD Single : A 65 TYR OH : rot 180:sc= -3.22! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 61:sc= 0.213 USER MOD Single : A 77 MET CE :methyl -147:sc= -1.45 (180deg=-3.37!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.375 K(o=-0.37,f=-1.6!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 9:sc= 0.81 USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.321 -0.991 20.830 1.00 0.00 N ATOM 2 CA MET A 1 -16.138 -0.299 20.347 1.00 0.00 C ATOM 3 C MET A 1 -16.327 0.166 18.902 1.00 0.00 C ATOM 4 O MET A 1 -17.142 -0.391 18.168 1.00 0.00 O ATOM 5 CB MET A 1 -14.931 -1.235 20.429 1.00 0.00 C ATOM 6 CG MET A 1 -13.778 -0.577 21.191 1.00 0.00 C ATOM 7 SD MET A 1 -12.398 -1.704 21.301 1.00 0.00 S ATOM 8 CE MET A 1 -11.360 -1.050 20.005 1.00 0.00 C ATOM 0 H1 MET A 1 -17.092 -1.498 21.709 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.076 -0.300 21.016 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.643 -1.671 20.112 1.00 0.00 H new ATOM 0 HA MET A 1 -15.972 0.578 20.972 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.218 -2.162 20.926 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.603 -1.500 19.424 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.471 0.338 20.684 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.107 -0.293 22.191 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.447 -1.642 19.937 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.893 -1.094 19.055 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.105 -0.015 20.231 1.00 0.00 H new ATOM 18 N GLN A 2 -15.561 1.183 18.536 1.00 0.00 N ATOM 19 CA GLN A 2 -15.633 1.730 17.192 1.00 0.00 C ATOM 20 C GLN A 2 -14.227 1.978 16.644 1.00 0.00 C ATOM 21 O GLN A 2 -13.383 2.557 17.327 1.00 0.00 O ATOM 22 CB GLN A 2 -16.466 3.013 17.166 1.00 0.00 C ATOM 23 CG GLN A 2 -15.762 4.139 17.925 1.00 0.00 C ATOM 24 CD GLN A 2 -16.534 5.454 17.795 1.00 0.00 C ATOM 25 OE1 GLN A 2 -16.120 6.382 17.120 1.00 0.00 O ATOM 26 NE2 GLN A 2 -17.676 5.481 18.476 1.00 0.00 N ATOM 0 H GLN A 2 -14.887 1.643 19.148 1.00 0.00 H new ATOM 0 HA GLN A 2 -16.128 1.001 16.550 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -16.639 3.318 16.134 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -17.443 2.825 17.611 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -15.669 3.870 18.977 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -14.751 4.267 17.538 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -17.964 4.669 19.022 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -18.264 6.314 18.453 1.00 0.00 H new ATOM 35 N GLU A 3 -14.017 1.528 15.415 1.00 0.00 N ATOM 36 CA GLU A 3 -12.727 1.695 14.767 1.00 0.00 C ATOM 37 C GLU A 3 -12.687 3.016 13.996 1.00 0.00 C ATOM 38 O GLU A 3 -13.729 3.554 13.624 1.00 0.00 O ATOM 39 CB GLU A 3 -12.420 0.513 13.845 1.00 0.00 C ATOM 40 CG GLU A 3 -11.475 -0.480 14.523 1.00 0.00 C ATOM 41 CD GLU A 3 -12.098 -1.877 14.584 1.00 0.00 C ATOM 42 OE1 GLU A 3 -12.684 -2.281 13.556 1.00 0.00 O ATOM 43 OE2 GLU A 3 -11.973 -2.508 15.655 1.00 0.00 O ATOM 0 H GLU A 3 -14.719 1.048 14.851 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.956 1.723 15.537 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.347 0.010 13.572 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -11.970 0.875 12.921 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -10.533 -0.522 13.977 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.244 -0.137 15.531 1.00 0.00 H new ATOM 50 N GLN A 4 -11.473 3.501 13.780 1.00 0.00 N ATOM 51 CA GLN A 4 -11.283 4.749 13.060 1.00 0.00 C ATOM 52 C GLN A 4 -11.647 4.572 11.585 1.00 0.00 C ATOM 53 O GLN A 4 -10.768 4.414 10.739 1.00 0.00 O ATOM 54 CB GLN A 4 -9.848 5.257 13.213 1.00 0.00 C ATOM 55 CG GLN A 4 -9.809 6.786 13.250 1.00 0.00 C ATOM 56 CD GLN A 4 -8.471 7.313 12.729 1.00 0.00 C ATOM 57 OE1 GLN A 4 -7.405 6.941 13.192 1.00 0.00 O ATOM 58 NE2 GLN A 4 -8.585 8.198 11.743 1.00 0.00 N ATOM 0 H GLN A 4 -10.611 3.052 14.091 1.00 0.00 H new ATOM 0 HA GLN A 4 -11.947 5.499 13.490 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.412 4.856 14.128 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.240 4.894 12.385 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -10.622 7.189 12.646 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -9.968 7.133 14.271 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.508 8.466 11.402 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -7.749 8.609 11.327 1.00 0.00 H new ATOM 67 N ALA A 5 -12.945 4.604 11.321 1.00 0.00 N ATOM 68 CA ALA A 5 -13.437 4.449 9.962 1.00 0.00 C ATOM 69 C ALA A 5 -13.048 5.680 9.140 1.00 0.00 C ATOM 70 O ALA A 5 -13.355 6.808 9.522 1.00 0.00 O ATOM 71 CB ALA A 5 -14.949 4.221 9.989 1.00 0.00 C ATOM 0 H ALA A 5 -13.671 4.735 12.025 1.00 0.00 H new ATOM 0 HA ALA A 5 -12.984 3.578 9.487 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -15.318 4.105 8.970 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -15.171 3.320 10.560 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -15.438 5.076 10.456 1.00 0.00 H new ATOM 77 N GLN A 6 -12.378 5.421 8.027 1.00 0.00 N ATOM 78 CA GLN A 6 -11.943 6.493 7.148 1.00 0.00 C ATOM 79 C GLN A 6 -11.347 5.917 5.862 1.00 0.00 C ATOM 80 O GLN A 6 -10.351 5.196 5.904 1.00 0.00 O ATOM 81 CB GLN A 6 -10.942 7.410 7.854 1.00 0.00 C ATOM 82 CG GLN A 6 -11.185 8.875 7.485 1.00 0.00 C ATOM 83 CD GLN A 6 -11.417 9.724 8.737 1.00 0.00 C ATOM 84 OE1 GLN A 6 -12.495 9.755 9.307 1.00 0.00 O ATOM 85 NE2 GLN A 6 -10.347 10.409 9.131 1.00 0.00 N ATOM 0 H GLN A 6 -12.126 4.484 7.714 1.00 0.00 H new ATOM 0 HA GLN A 6 -12.813 7.095 6.884 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.027 7.284 8.933 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.926 7.126 7.579 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -10.329 9.262 6.933 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -12.050 8.949 6.825 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -9.474 10.338 8.608 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.399 11.006 9.957 1.00 0.00 H new ATOM 94 N GLN A 7 -11.981 6.256 4.750 1.00 0.00 N ATOM 95 CA GLN A 7 -11.526 5.782 3.454 1.00 0.00 C ATOM 96 C GLN A 7 -11.057 6.956 2.593 1.00 0.00 C ATOM 97 O GLN A 7 -11.872 7.645 1.980 1.00 0.00 O ATOM 98 CB GLN A 7 -12.623 4.985 2.745 1.00 0.00 C ATOM 99 CG GLN A 7 -12.042 4.143 1.608 1.00 0.00 C ATOM 100 CD GLN A 7 -12.921 2.924 1.323 1.00 0.00 C ATOM 101 OE1 GLN A 7 -12.651 1.817 1.758 1.00 0.00 O ATOM 102 NE2 GLN A 7 -13.985 3.189 0.570 1.00 0.00 N ATOM 0 H GLN A 7 -12.807 6.854 4.719 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.680 5.112 3.611 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -13.127 4.336 3.462 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -13.375 5.668 2.349 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -11.955 4.752 0.708 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -11.036 3.817 1.870 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -14.152 4.139 0.239 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -14.634 2.442 0.324 1.00 0.00 H new ATOM 111 N PHE A 8 -9.747 7.150 2.575 1.00 0.00 N ATOM 112 CA PHE A 8 -9.160 8.229 1.799 1.00 0.00 C ATOM 113 C PHE A 8 -9.019 7.834 0.328 1.00 0.00 C ATOM 114 O PHE A 8 -9.043 6.650 -0.005 1.00 0.00 O ATOM 115 CB PHE A 8 -7.769 8.492 2.379 1.00 0.00 C ATOM 116 CG PHE A 8 -7.755 8.693 3.896 1.00 0.00 C ATOM 117 CD1 PHE A 8 -7.685 7.616 4.724 1.00 0.00 C ATOM 118 CD2 PHE A 8 -7.814 9.948 4.417 1.00 0.00 C ATOM 119 CE1 PHE A 8 -7.672 7.802 6.132 1.00 0.00 C ATOM 120 CE2 PHE A 8 -7.801 10.134 5.825 1.00 0.00 C ATOM 121 CZ PHE A 8 -7.730 9.057 6.652 1.00 0.00 C ATOM 0 H PHE A 8 -9.075 6.578 3.086 1.00 0.00 H new ATOM 0 HA PHE A 8 -9.797 9.112 1.851 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.118 7.655 2.128 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -7.349 9.377 1.902 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.639 6.619 4.311 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.871 10.803 3.760 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -7.616 6.947 6.789 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.847 11.131 6.239 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.720 9.199 7.723 1.00 0.00 H new ATOM 131 N ILE A 9 -8.876 8.847 -0.513 1.00 0.00 N ATOM 132 CA ILE A 9 -8.731 8.620 -1.941 1.00 0.00 C ATOM 133 C ILE A 9 -7.256 8.375 -2.267 1.00 0.00 C ATOM 134 O ILE A 9 -6.418 9.253 -2.066 1.00 0.00 O ATOM 135 CB ILE A 9 -9.353 9.772 -2.732 1.00 0.00 C ATOM 136 CG1 ILE A 9 -10.769 10.075 -2.239 1.00 0.00 C ATOM 137 CG2 ILE A 9 -9.318 9.487 -4.235 1.00 0.00 C ATOM 138 CD1 ILE A 9 -11.796 9.181 -2.937 1.00 0.00 C ATOM 0 H ILE A 9 -8.857 9.828 -0.233 1.00 0.00 H new ATOM 0 HA ILE A 9 -9.277 7.726 -2.242 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.754 10.666 -2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.823 9.923 -1.161 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.007 11.122 -2.426 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.766 10.322 -4.774 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.285 9.360 -4.557 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.878 8.576 -4.446 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.794 9.417 -2.568 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.757 9.353 -4.013 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.570 8.135 -2.728 1.00 0.00 H new ATOM 150 N PHE A 10 -6.985 7.178 -2.766 1.00 0.00 N ATOM 151 CA PHE A 10 -5.626 6.807 -3.122 1.00 0.00 C ATOM 152 C PHE A 10 -5.617 5.636 -4.106 1.00 0.00 C ATOM 153 O PHE A 10 -6.006 4.523 -3.756 1.00 0.00 O ATOM 154 CB PHE A 10 -4.926 6.378 -1.831 1.00 0.00 C ATOM 155 CG PHE A 10 -3.400 6.471 -1.889 1.00 0.00 C ATOM 156 CD1 PHE A 10 -2.806 7.543 -2.479 1.00 0.00 C ATOM 157 CD2 PHE A 10 -2.638 5.481 -1.352 1.00 0.00 C ATOM 158 CE1 PHE A 10 -1.390 7.629 -2.533 1.00 0.00 C ATOM 159 CE2 PHE A 10 -1.221 5.567 -1.406 1.00 0.00 C ATOM 160 CZ PHE A 10 -0.627 6.639 -1.996 1.00 0.00 C ATOM 0 H PHE A 10 -7.683 6.453 -2.932 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.123 7.650 -3.597 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.287 6.999 -1.011 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.208 5.351 -1.601 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.411 8.329 -2.906 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.110 4.629 -0.885 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.918 8.481 -3.001 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.616 4.781 -0.979 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.450 6.704 -2.038 1.00 0.00 H new ATOM 170 N LYS A 11 -5.170 5.927 -5.319 1.00 0.00 N ATOM 171 CA LYS A 11 -5.106 4.912 -6.357 1.00 0.00 C ATOM 172 C LYS A 11 -3.650 4.490 -6.563 1.00 0.00 C ATOM 173 O LYS A 11 -2.767 5.337 -6.695 1.00 0.00 O ATOM 174 CB LYS A 11 -5.790 5.406 -7.633 1.00 0.00 C ATOM 175 CG LYS A 11 -7.275 5.041 -7.636 1.00 0.00 C ATOM 176 CD LYS A 11 -8.132 6.230 -8.074 1.00 0.00 C ATOM 177 CE LYS A 11 -8.566 7.067 -6.869 1.00 0.00 C ATOM 178 NZ LYS A 11 -9.348 8.244 -7.309 1.00 0.00 N ATOM 0 H LYS A 11 -4.849 6.851 -5.606 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.656 4.021 -6.053 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.678 6.487 -7.715 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.303 4.968 -8.504 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.445 4.199 -8.307 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.576 4.719 -6.639 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.569 6.852 -8.769 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.012 5.871 -8.608 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.165 6.458 -6.192 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.689 7.394 -6.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.944 9.106 -6.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.315 8.315 -8.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.336 8.140 -7.001 1.00 0.00 H new ATOM 192 N VAL A 12 -3.443 3.182 -6.584 1.00 0.00 N ATOM 193 CA VAL A 12 -2.109 2.638 -6.772 1.00 0.00 C ATOM 194 C VAL A 12 -2.126 1.648 -7.938 1.00 0.00 C ATOM 195 O VAL A 12 -2.974 0.759 -7.990 1.00 0.00 O ATOM 196 CB VAL A 12 -1.609 2.015 -5.466 1.00 0.00 C ATOM 197 CG1 VAL A 12 -1.853 0.504 -5.451 1.00 0.00 C ATOM 198 CG2 VAL A 12 -0.131 2.334 -5.237 1.00 0.00 C ATOM 0 H VAL A 12 -4.177 2.482 -6.474 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.406 3.431 -7.029 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.177 2.454 -4.646 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.489 0.086 -4.513 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.921 0.307 -5.546 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.323 0.042 -6.284 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.199 1.880 -4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.459 1.936 -6.062 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.004 3.414 -5.183 1.00 0.00 H new ATOM 208 N THR A 13 -1.179 1.836 -8.846 1.00 0.00 N ATOM 209 CA THR A 13 -1.074 0.970 -10.008 1.00 0.00 C ATOM 210 C THR A 13 -1.015 -0.497 -9.578 1.00 0.00 C ATOM 211 O THR A 13 -0.504 -0.812 -8.504 1.00 0.00 O ATOM 212 CB THR A 13 0.144 1.415 -10.820 1.00 0.00 C ATOM 213 OG1 THR A 13 1.249 1.151 -9.961 1.00 0.00 O ATOM 214 CG2 THR A 13 0.187 2.930 -11.029 1.00 0.00 C ATOM 0 H THR A 13 -0.478 2.575 -8.800 1.00 0.00 H new ATOM 0 HA THR A 13 -1.955 1.053 -10.644 1.00 0.00 H new ATOM 0 HB THR A 13 0.136 0.916 -11.789 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.064 1.533 -10.349 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.071 3.192 -11.611 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.707 3.249 -11.564 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.228 3.430 -10.061 1.00 0.00 H new ATOM 222 N ASP A 14 -1.543 -1.355 -10.438 1.00 0.00 N ATOM 223 CA ASP A 14 -1.557 -2.781 -10.160 1.00 0.00 C ATOM 224 C ASP A 14 -0.129 -3.256 -9.884 1.00 0.00 C ATOM 225 O ASP A 14 0.076 -4.244 -9.182 1.00 0.00 O ATOM 226 CB ASP A 14 -2.095 -3.570 -11.355 1.00 0.00 C ATOM 227 CG ASP A 14 -3.620 -3.662 -11.435 1.00 0.00 C ATOM 228 OD1 ASP A 14 -4.263 -3.340 -10.412 1.00 0.00 O ATOM 229 OD2 ASP A 14 -4.110 -4.052 -12.517 1.00 0.00 O ATOM 0 H ASP A 14 -1.965 -1.090 -11.328 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.201 -2.950 -9.297 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.725 -3.110 -12.271 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.686 -4.580 -11.318 1.00 0.00 H new ATOM 234 N LYS A 15 0.822 -2.529 -10.452 1.00 0.00 N ATOM 235 CA LYS A 15 2.225 -2.863 -10.277 1.00 0.00 C ATOM 236 C LYS A 15 2.602 -2.709 -8.802 1.00 0.00 C ATOM 237 O LYS A 15 3.339 -3.529 -8.256 1.00 0.00 O ATOM 238 CB LYS A 15 3.096 -2.035 -11.223 1.00 0.00 C ATOM 239 CG LYS A 15 4.091 -2.924 -11.973 1.00 0.00 C ATOM 240 CD LYS A 15 4.969 -2.094 -12.911 1.00 0.00 C ATOM 241 CE LYS A 15 5.491 -2.946 -14.070 1.00 0.00 C ATOM 242 NZ LYS A 15 4.692 -2.702 -15.292 1.00 0.00 N ATOM 0 H LYS A 15 0.648 -1.710 -11.034 1.00 0.00 H new ATOM 0 HA LYS A 15 2.404 -3.904 -10.546 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.464 -1.508 -11.937 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.636 -1.277 -10.656 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.718 -3.457 -11.258 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.551 -3.677 -12.546 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.396 -1.253 -13.302 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.808 -1.677 -12.355 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.538 -2.710 -14.260 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.445 -4.002 -13.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.059 -3.288 -16.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.698 -2.949 -15.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.757 -1.698 -15.555 1.00 0.00 H new ATOM 256 N ALA A 16 2.078 -1.652 -8.198 1.00 0.00 N ATOM 257 CA ALA A 16 2.350 -1.380 -6.797 1.00 0.00 C ATOM 258 C ALA A 16 1.764 -2.504 -5.940 1.00 0.00 C ATOM 259 O ALA A 16 2.486 -3.159 -5.191 1.00 0.00 O ATOM 260 CB ALA A 16 1.784 -0.008 -6.424 1.00 0.00 C ATOM 0 H ALA A 16 1.467 -0.974 -8.653 1.00 0.00 H new ATOM 0 HA ALA A 16 3.424 -1.351 -6.614 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.988 0.196 -5.373 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.253 0.759 -7.040 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.707 -0.001 -6.593 1.00 0.00 H new ATOM 266 N VAL A 17 0.460 -2.693 -6.080 1.00 0.00 N ATOM 267 CA VAL A 17 -0.232 -3.727 -5.329 1.00 0.00 C ATOM 268 C VAL A 17 0.436 -5.077 -5.595 1.00 0.00 C ATOM 269 O VAL A 17 0.780 -5.799 -4.660 1.00 0.00 O ATOM 270 CB VAL A 17 -1.722 -3.718 -5.675 1.00 0.00 C ATOM 271 CG1 VAL A 17 -2.276 -5.142 -5.750 1.00 0.00 C ATOM 272 CG2 VAL A 17 -2.512 -2.873 -4.673 1.00 0.00 C ATOM 0 H VAL A 17 -0.136 -2.147 -6.703 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.161 -3.534 -4.259 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.835 -3.263 -6.659 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.337 -5.107 -5.997 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.742 -5.700 -6.519 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.144 -5.635 -4.787 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.568 -2.883 -4.942 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.388 -3.286 -3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.143 -1.848 -4.691 1.00 0.00 H new ATOM 282 N GLU A 18 0.598 -5.379 -6.875 1.00 0.00 N ATOM 283 CA GLU A 18 1.218 -6.630 -7.276 1.00 0.00 C ATOM 284 C GLU A 18 2.557 -6.813 -6.558 1.00 0.00 C ATOM 285 O GLU A 18 2.891 -7.918 -6.133 1.00 0.00 O ATOM 286 CB GLU A 18 1.397 -6.692 -8.794 1.00 0.00 C ATOM 287 CG GLU A 18 0.108 -7.148 -9.480 1.00 0.00 C ATOM 288 CD GLU A 18 0.403 -7.756 -10.853 1.00 0.00 C ATOM 289 OE1 GLU A 18 1.364 -8.551 -10.927 1.00 0.00 O ATOM 290 OE2 GLU A 18 -0.340 -7.411 -11.798 1.00 0.00 O ATOM 0 H GLU A 18 0.310 -4.779 -7.648 1.00 0.00 H new ATOM 0 HA GLU A 18 0.558 -7.448 -6.988 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.686 -5.710 -9.170 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.207 -7.379 -9.041 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.401 -7.882 -8.855 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.568 -6.301 -9.591 1.00 0.00 H new ATOM 297 N GLU A 19 3.287 -5.714 -6.446 1.00 0.00 N ATOM 298 CA GLU A 19 4.582 -5.739 -5.787 1.00 0.00 C ATOM 299 C GLU A 19 4.434 -6.222 -4.343 1.00 0.00 C ATOM 300 O GLU A 19 5.381 -6.747 -3.760 1.00 0.00 O ATOM 301 CB GLU A 19 5.251 -4.364 -5.839 1.00 0.00 C ATOM 302 CG GLU A 19 6.640 -4.405 -5.200 1.00 0.00 C ATOM 303 CD GLU A 19 7.691 -4.888 -6.203 1.00 0.00 C ATOM 304 OE1 GLU A 19 7.716 -4.319 -7.316 1.00 0.00 O ATOM 305 OE2 GLU A 19 8.445 -5.813 -5.834 1.00 0.00 O ATOM 0 H GLU A 19 3.007 -4.800 -6.801 1.00 0.00 H new ATOM 0 HA GLU A 19 5.225 -6.440 -6.320 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.333 -4.035 -6.875 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.630 -3.634 -5.321 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.907 -3.412 -4.838 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.627 -5.067 -4.334 1.00 0.00 H new ATOM 312 N ILE A 20 3.237 -6.028 -3.808 1.00 0.00 N ATOM 313 CA ILE A 20 2.953 -6.438 -2.444 1.00 0.00 C ATOM 314 C ILE A 20 2.568 -7.918 -2.430 1.00 0.00 C ATOM 315 O ILE A 20 2.990 -8.665 -1.549 1.00 0.00 O ATOM 316 CB ILE A 20 1.898 -5.522 -1.818 1.00 0.00 C ATOM 317 CG1 ILE A 20 1.959 -4.120 -2.427 1.00 0.00 C ATOM 318 CG2 ILE A 20 2.032 -5.492 -0.294 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.390 -3.577 -2.410 1.00 0.00 C ATOM 0 H ILE A 20 2.454 -5.593 -4.295 1.00 0.00 H new ATOM 0 HA ILE A 20 3.842 -6.334 -1.822 1.00 0.00 H new ATOM 0 HB ILE A 20 0.913 -5.929 -2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.589 -4.148 -3.452 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.305 -3.449 -1.870 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.271 -4.834 0.125 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.900 -6.499 0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.021 -5.122 -0.023 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.406 -2.579 -2.848 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.748 -3.527 -1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.037 -4.237 -2.988 1.00 0.00 H new ATOM 331 N LYS A 21 1.770 -8.299 -3.417 1.00 0.00 N ATOM 332 CA LYS A 21 1.323 -9.677 -3.530 1.00 0.00 C ATOM 333 C LYS A 21 2.522 -10.573 -3.848 1.00 0.00 C ATOM 334 O LYS A 21 2.658 -11.657 -3.284 1.00 0.00 O ATOM 335 CB LYS A 21 0.184 -9.790 -4.545 1.00 0.00 C ATOM 336 CG LYS A 21 -1.100 -9.162 -4.000 1.00 0.00 C ATOM 337 CD LYS A 21 -1.786 -8.304 -5.066 1.00 0.00 C ATOM 338 CE LYS A 21 -2.423 -9.179 -6.147 1.00 0.00 C ATOM 339 NZ LYS A 21 -3.620 -9.869 -5.618 1.00 0.00 N ATOM 0 H LYS A 21 1.421 -7.677 -4.146 1.00 0.00 H new ATOM 0 HA LYS A 21 0.909 -10.022 -2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.469 -9.296 -5.474 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.007 -10.839 -4.784 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.780 -9.946 -3.667 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.868 -8.549 -3.129 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.550 -7.681 -4.600 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.059 -7.631 -5.520 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.699 -8.565 -7.004 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.700 -9.913 -6.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.231 -10.160 -6.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.327 -10.709 -5.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.145 -9.224 -4.994 1.00 0.00 H new ATOM 353 N LYS A 22 3.361 -10.085 -4.750 1.00 0.00 N ATOM 354 CA LYS A 22 4.544 -10.828 -5.150 1.00 0.00 C ATOM 355 C LYS A 22 5.496 -10.944 -3.958 1.00 0.00 C ATOM 356 O LYS A 22 5.997 -12.028 -3.663 1.00 0.00 O ATOM 357 CB LYS A 22 5.182 -10.194 -6.388 1.00 0.00 C ATOM 358 CG LYS A 22 5.428 -11.241 -7.476 1.00 0.00 C ATOM 359 CD LYS A 22 6.749 -10.978 -8.201 1.00 0.00 C ATOM 360 CE LYS A 22 6.511 -10.666 -9.679 1.00 0.00 C ATOM 361 NZ LYS A 22 7.343 -9.518 -10.107 1.00 0.00 N ATOM 0 H LYS A 22 3.245 -9.185 -5.215 1.00 0.00 H new ATOM 0 HA LYS A 22 4.275 -11.843 -5.443 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.532 -9.409 -6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.125 -9.721 -6.114 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.445 -12.236 -7.031 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.607 -11.226 -8.192 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.267 -10.144 -7.729 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.398 -11.849 -8.110 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.749 -11.541 -10.284 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.457 -10.441 -9.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.169 -9.319 -11.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.097 -8.681 -9.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.348 -9.747 -9.968 1.00 0.00 H new ATOM 375 N VAL A 23 5.716 -9.812 -3.306 1.00 0.00 N ATOM 376 CA VAL A 23 6.599 -9.773 -2.152 1.00 0.00 C ATOM 377 C VAL A 23 6.105 -10.771 -1.103 1.00 0.00 C ATOM 378 O VAL A 23 6.829 -11.692 -0.728 1.00 0.00 O ATOM 379 CB VAL A 23 6.697 -8.343 -1.617 1.00 0.00 C ATOM 380 CG1 VAL A 23 7.026 -8.338 -0.123 1.00 0.00 C ATOM 381 CG2 VAL A 23 7.726 -7.531 -2.407 1.00 0.00 C ATOM 0 H VAL A 23 5.298 -8.915 -3.554 1.00 0.00 H new ATOM 0 HA VAL A 23 7.609 -10.071 -2.434 1.00 0.00 H new ATOM 0 HB VAL A 23 5.724 -7.869 -1.748 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.090 -7.309 0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.243 -8.863 0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.980 -8.838 0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.776 -6.519 -2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.705 -8.003 -2.323 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.431 -7.492 -3.456 1.00 0.00 H new ATOM 391 N ALA A 24 4.875 -10.555 -0.660 1.00 0.00 N ATOM 392 CA ALA A 24 4.276 -11.424 0.339 1.00 0.00 C ATOM 393 C ALA A 24 4.264 -12.862 -0.184 1.00 0.00 C ATOM 394 O ALA A 24 4.434 -13.807 0.584 1.00 0.00 O ATOM 395 CB ALA A 24 2.874 -10.917 0.682 1.00 0.00 C ATOM 0 H ALA A 24 4.277 -9.791 -0.974 1.00 0.00 H new ATOM 0 HA ALA A 24 4.861 -11.412 1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.425 -11.569 1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.940 -9.903 1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.257 -10.918 -0.217 1.00 0.00 H new ATOM 401 N GLN A 25 4.061 -12.982 -1.488 1.00 0.00 N ATOM 402 CA GLN A 25 4.024 -14.288 -2.123 1.00 0.00 C ATOM 403 C GLN A 25 5.347 -15.024 -1.900 1.00 0.00 C ATOM 404 O GLN A 25 5.379 -16.253 -1.859 1.00 0.00 O ATOM 405 CB GLN A 25 3.711 -14.164 -3.615 1.00 0.00 C ATOM 406 CG GLN A 25 2.210 -14.313 -3.874 1.00 0.00 C ATOM 407 CD GLN A 25 1.926 -15.512 -4.781 1.00 0.00 C ATOM 408 OE1 GLN A 25 2.765 -15.955 -5.549 1.00 0.00 O ATOM 409 NE2 GLN A 25 0.701 -16.012 -4.649 1.00 0.00 N ATOM 0 H GLN A 25 3.920 -12.196 -2.122 1.00 0.00 H new ATOM 0 HA GLN A 25 3.224 -14.870 -1.665 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.053 -13.197 -3.983 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.257 -14.927 -4.170 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.685 -14.436 -2.927 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.825 -13.404 -4.336 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.048 -15.593 -3.987 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.415 -16.815 -5.210 1.00 0.00 H new ATOM 418 N GLU A 26 6.407 -14.241 -1.762 1.00 0.00 N ATOM 419 CA GLU A 26 7.729 -14.802 -1.544 1.00 0.00 C ATOM 420 C GLU A 26 7.962 -15.049 -0.052 1.00 0.00 C ATOM 421 O GLU A 26 8.997 -15.588 0.337 1.00 0.00 O ATOM 422 CB GLU A 26 8.814 -13.893 -2.126 1.00 0.00 C ATOM 423 CG GLU A 26 9.901 -14.713 -2.823 1.00 0.00 C ATOM 424 CD GLU A 26 11.183 -13.895 -2.989 1.00 0.00 C ATOM 425 OE1 GLU A 26 11.189 -13.026 -3.888 1.00 0.00 O ATOM 426 OE2 GLU A 26 12.128 -14.156 -2.214 1.00 0.00 O ATOM 0 H GLU A 26 6.377 -13.222 -1.797 1.00 0.00 H new ATOM 0 HA GLU A 26 7.786 -15.759 -2.064 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.368 -13.197 -2.836 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.258 -13.296 -1.330 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.111 -15.612 -2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.545 -15.040 -3.800 1.00 0.00 H new ATOM 433 N ASN A 27 6.983 -14.642 0.742 1.00 0.00 N ATOM 434 CA ASN A 27 7.068 -14.812 2.183 1.00 0.00 C ATOM 435 C ASN A 27 5.887 -15.657 2.663 1.00 0.00 C ATOM 436 O ASN A 27 5.578 -15.679 3.853 1.00 0.00 O ATOM 437 CB ASN A 27 7.007 -13.462 2.901 1.00 0.00 C ATOM 438 CG ASN A 27 8.410 -12.891 3.116 1.00 0.00 C ATOM 439 OD1 ASN A 27 9.197 -13.389 3.904 1.00 0.00 O ATOM 440 ND2 ASN A 27 8.678 -11.821 2.373 1.00 0.00 N ATOM 0 H ASN A 27 6.127 -14.195 0.415 1.00 0.00 H new ATOM 0 HA ASN A 27 8.017 -15.299 2.410 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.411 -12.762 2.316 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.507 -13.580 3.862 1.00 0.00 H new ATOM 0 HD21 ASN A 27 9.588 -11.366 2.443 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.973 -11.455 1.733 1.00 0.00 H new ATOM 447 N ASN A 28 5.259 -16.333 1.712 1.00 0.00 N ATOM 448 CA ASN A 28 4.119 -17.178 2.023 1.00 0.00 C ATOM 449 C ASN A 28 3.105 -16.378 2.843 1.00 0.00 C ATOM 450 O ASN A 28 2.387 -16.939 3.669 1.00 0.00 O ATOM 451 CB ASN A 28 4.543 -18.393 2.851 1.00 0.00 C ATOM 452 CG ASN A 28 3.700 -19.619 2.497 1.00 0.00 C ATOM 453 OD1 ASN A 28 2.681 -19.902 3.106 1.00 0.00 O ATOM 454 ND2 ASN A 28 4.181 -20.330 1.481 1.00 0.00 N ATOM 0 H ASN A 28 5.518 -16.313 0.726 1.00 0.00 H new ATOM 0 HA ASN A 28 3.684 -17.516 1.083 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.597 -18.608 2.674 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.437 -18.169 3.912 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.691 -21.168 1.168 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.040 -20.037 1.015 1.00 0.00 H new ATOM 461 N ILE A 29 3.078 -15.078 2.585 1.00 0.00 N ATOM 462 CA ILE A 29 2.163 -14.195 3.289 1.00 0.00 C ATOM 463 C ILE A 29 0.861 -14.077 2.494 1.00 0.00 C ATOM 464 O ILE A 29 0.884 -14.007 1.266 1.00 0.00 O ATOM 465 CB ILE A 29 2.833 -12.849 3.575 1.00 0.00 C ATOM 466 CG1 ILE A 29 3.906 -12.990 4.656 1.00 0.00 C ATOM 467 CG2 ILE A 29 1.793 -11.785 3.935 1.00 0.00 C ATOM 468 CD1 ILE A 29 4.735 -11.709 4.776 1.00 0.00 C ATOM 0 H ILE A 29 3.674 -14.616 1.899 1.00 0.00 H new ATOM 0 HA ILE A 29 1.905 -14.611 4.263 1.00 0.00 H new ATOM 0 HB ILE A 29 3.334 -12.516 2.666 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.436 -13.214 5.613 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.559 -13.829 4.418 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.295 -10.838 4.134 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.098 -11.660 3.105 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.245 -12.098 4.823 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.491 -11.836 5.551 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.223 -11.501 3.824 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.082 -10.876 5.038 1.00 0.00 H new ATOM 480 N GLU A 30 -0.242 -14.059 3.227 1.00 0.00 N ATOM 481 CA GLU A 30 -1.551 -13.951 2.606 1.00 0.00 C ATOM 482 C GLU A 30 -2.273 -12.697 3.103 1.00 0.00 C ATOM 483 O GLU A 30 -3.450 -12.496 2.809 1.00 0.00 O ATOM 484 CB GLU A 30 -2.388 -15.205 2.868 1.00 0.00 C ATOM 485 CG GLU A 30 -2.768 -15.895 1.556 1.00 0.00 C ATOM 486 CD GLU A 30 -3.088 -17.373 1.787 1.00 0.00 C ATOM 487 OE1 GLU A 30 -2.205 -18.066 2.338 1.00 0.00 O ATOM 488 OE2 GLU A 30 -4.209 -17.777 1.408 1.00 0.00 O ATOM 0 H GLU A 30 -0.256 -14.117 4.245 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.413 -13.864 1.528 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.827 -15.896 3.497 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.291 -14.936 3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.632 -15.397 1.116 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.949 -15.804 0.842 1.00 0.00 H new ATOM 495 N ASN A 31 -1.537 -11.885 3.848 1.00 0.00 N ATOM 496 CA ASN A 31 -2.092 -10.656 4.389 1.00 0.00 C ATOM 497 C ASN A 31 -0.973 -9.626 4.555 1.00 0.00 C ATOM 498 O ASN A 31 -0.636 -9.245 5.675 1.00 0.00 O ATOM 499 CB ASN A 31 -2.723 -10.894 5.762 1.00 0.00 C ATOM 500 CG ASN A 31 -1.966 -11.977 6.534 1.00 0.00 C ATOM 501 OD1 ASN A 31 -2.166 -13.166 6.344 1.00 0.00 O ATOM 502 ND2 ASN A 31 -1.088 -11.502 7.412 1.00 0.00 N ATOM 0 H ASN A 31 -0.561 -12.054 4.090 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.856 -10.298 3.698 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.720 -9.966 6.333 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.765 -11.190 5.641 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.532 -12.145 7.976 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.970 -10.495 7.521 1.00 0.00 H new ATOM 509 N PRO A 32 -0.413 -9.193 3.394 1.00 0.00 N ATOM 510 CA PRO A 32 0.661 -8.215 3.400 1.00 0.00 C ATOM 511 C PRO A 32 0.125 -6.814 3.704 1.00 0.00 C ATOM 512 O PRO A 32 -0.850 -6.374 3.097 1.00 0.00 O ATOM 513 CB PRO A 32 1.298 -8.321 2.024 1.00 0.00 C ATOM 514 CG PRO A 32 0.273 -9.017 1.143 1.00 0.00 C ATOM 515 CD PRO A 32 -0.786 -9.622 2.049 1.00 0.00 C ATOM 0 HA PRO A 32 1.398 -8.404 4.181 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.545 -7.335 1.631 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.227 -8.890 2.066 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.178 -8.308 0.449 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.749 -9.792 0.542 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -1.783 -9.270 1.783 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.801 -10.709 1.970 1.00 0.00 H new ATOM 523 N ILE A 33 0.786 -6.154 4.643 1.00 0.00 N ATOM 524 CA ILE A 33 0.388 -4.812 5.035 1.00 0.00 C ATOM 525 C ILE A 33 1.334 -3.796 4.391 1.00 0.00 C ATOM 526 O ILE A 33 2.471 -3.634 4.833 1.00 0.00 O ATOM 527 CB ILE A 33 0.311 -4.700 6.559 1.00 0.00 C ATOM 528 CG1 ILE A 33 -0.981 -5.325 7.090 1.00 0.00 C ATOM 529 CG2 ILE A 33 0.473 -3.247 7.011 1.00 0.00 C ATOM 530 CD1 ILE A 33 -1.093 -5.150 8.606 1.00 0.00 C ATOM 0 H ILE A 33 1.594 -6.523 5.144 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.615 -4.590 4.671 1.00 0.00 H new ATOM 0 HB ILE A 33 1.141 -5.264 6.985 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.840 -4.863 6.603 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.005 -6.386 6.840 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.414 -3.195 8.098 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.441 -2.869 6.681 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.321 -2.640 6.576 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.020 -5.603 8.957 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.246 -5.634 9.092 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.093 -4.088 8.851 1.00 0.00 H new ATOM 542 N LEU A 34 0.829 -3.138 3.358 1.00 0.00 N ATOM 543 CA LEU A 34 1.615 -2.143 2.649 1.00 0.00 C ATOM 544 C LEU A 34 1.351 -0.764 3.257 1.00 0.00 C ATOM 545 O LEU A 34 0.209 -0.310 3.305 1.00 0.00 O ATOM 546 CB LEU A 34 1.339 -2.214 1.146 1.00 0.00 C ATOM 547 CG LEU A 34 1.932 -1.084 0.301 1.00 0.00 C ATOM 548 CD1 LEU A 34 3.459 -1.160 0.278 1.00 0.00 C ATOM 549 CD2 LEU A 34 1.337 -1.084 -1.109 1.00 0.00 C ATOM 0 H LEU A 34 -0.114 -3.274 2.995 1.00 0.00 H new ATOM 0 HA LEU A 34 2.680 -2.345 2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.724 -3.162 0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.260 -2.226 0.995 1.00 0.00 H new ATOM 0 HG LEU A 34 1.664 -0.134 0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.855 -0.346 -0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.843 -1.074 1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.769 -2.114 -0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.775 -0.272 -1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.554 -2.035 -1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.258 -0.945 -1.048 1.00 0.00 H new ATOM 561 N ARG A 35 2.427 -0.135 3.707 1.00 0.00 N ATOM 562 CA ARG A 35 2.327 1.183 4.311 1.00 0.00 C ATOM 563 C ARG A 35 3.061 2.216 3.454 1.00 0.00 C ATOM 564 O ARG A 35 4.225 2.024 3.105 1.00 0.00 O ATOM 565 CB ARG A 35 2.917 1.189 5.722 1.00 0.00 C ATOM 566 CG ARG A 35 4.442 1.309 5.679 1.00 0.00 C ATOM 567 CD ARG A 35 5.069 0.805 6.980 1.00 0.00 C ATOM 568 NE ARG A 35 6.499 1.182 7.032 1.00 0.00 N ATOM 569 CZ ARG A 35 6.949 2.361 7.484 1.00 0.00 C ATOM 570 NH1 ARG A 35 6.084 3.284 7.925 1.00 0.00 N ATOM 571 NH2 ARG A 35 8.265 2.616 7.494 1.00 0.00 N ATOM 0 H ARG A 35 3.373 -0.514 3.665 1.00 0.00 H new ATOM 0 HA ARG A 35 1.270 1.441 4.371 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.499 2.020 6.291 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.635 0.273 6.242 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.832 0.736 4.838 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.724 2.349 5.514 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.542 1.228 7.835 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.967 -0.278 7.047 1.00 0.00 H new ATOM 0 HE ARG A 35 7.185 0.502 6.703 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.083 3.090 7.917 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.427 4.181 8.269 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.923 1.913 7.158 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.608 3.513 7.838 1.00 0.00 H new ATOM 585 N ILE A 36 2.351 3.289 3.140 1.00 0.00 N ATOM 586 CA ILE A 36 2.920 4.353 2.330 1.00 0.00 C ATOM 587 C ILE A 36 3.400 5.482 3.245 1.00 0.00 C ATOM 588 O ILE A 36 2.589 6.188 3.843 1.00 0.00 O ATOM 589 CB ILE A 36 1.923 4.808 1.263 1.00 0.00 C ATOM 590 CG1 ILE A 36 1.818 3.778 0.136 1.00 0.00 C ATOM 591 CG2 ILE A 36 2.279 6.199 0.737 1.00 0.00 C ATOM 592 CD1 ILE A 36 0.752 2.726 0.452 1.00 0.00 C ATOM 0 H ILE A 36 1.386 3.445 3.432 1.00 0.00 H new ATOM 0 HA ILE A 36 3.791 3.991 1.784 1.00 0.00 H new ATOM 0 HB ILE A 36 0.938 4.881 1.725 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.572 4.281 -0.799 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.783 3.292 -0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.554 6.498 -0.020 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.261 6.914 1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.276 6.177 0.297 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.698 2.006 -0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.014 2.208 1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.216 3.213 0.571 1.00 0.00 H new ATOM 604 N ARG A 37 4.715 5.619 3.324 1.00 0.00 N ATOM 605 CA ARG A 37 5.312 6.650 4.155 1.00 0.00 C ATOM 606 C ARG A 37 6.238 7.536 3.318 1.00 0.00 C ATOM 607 O ARG A 37 6.714 7.121 2.263 1.00 0.00 O ATOM 608 CB ARG A 37 6.110 6.036 5.307 1.00 0.00 C ATOM 609 CG ARG A 37 5.633 6.582 6.655 1.00 0.00 C ATOM 610 CD ARG A 37 6.614 7.621 7.203 1.00 0.00 C ATOM 611 NE ARG A 37 7.675 6.951 7.987 1.00 0.00 N ATOM 612 CZ ARG A 37 8.825 7.536 8.348 1.00 0.00 C ATOM 613 NH1 ARG A 37 9.070 8.806 7.997 1.00 0.00 N ATOM 614 NH2 ARG A 37 9.731 6.852 9.059 1.00 0.00 N ATOM 0 H ARG A 37 5.384 5.033 2.826 1.00 0.00 H new ATOM 0 HA ARG A 37 4.503 7.252 4.569 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.003 4.951 5.291 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.170 6.254 5.177 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.647 7.032 6.541 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.529 5.763 7.367 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.058 8.183 6.381 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.084 8.338 7.830 1.00 0.00 H new ATOM 0 HE ARG A 37 7.521 5.983 8.270 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.381 9.327 7.455 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.946 9.251 8.272 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.546 5.885 9.326 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.606 7.298 9.333 1.00 0.00 H new ATOM 628 N VAL A 38 6.465 8.741 3.821 1.00 0.00 N ATOM 629 CA VAL A 38 7.325 9.689 3.134 1.00 0.00 C ATOM 630 C VAL A 38 8.784 9.404 3.497 1.00 0.00 C ATOM 631 O VAL A 38 9.164 9.485 4.664 1.00 0.00 O ATOM 632 CB VAL A 38 6.896 11.120 3.464 1.00 0.00 C ATOM 633 CG1 VAL A 38 7.734 12.136 2.686 1.00 0.00 C ATOM 634 CG2 VAL A 38 5.403 11.319 3.195 1.00 0.00 C ATOM 0 H VAL A 38 6.068 9.082 4.696 1.00 0.00 H new ATOM 0 HA VAL A 38 7.230 9.576 2.054 1.00 0.00 H new ATOM 0 HB VAL A 38 7.070 11.287 4.527 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.409 13.145 2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.785 12.017 2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.606 11.971 1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.123 12.344 3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.194 11.125 2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.827 10.630 3.813 1.00 0.00 H new ATOM 644 N VAL A 39 9.562 9.076 2.476 1.00 0.00 N ATOM 645 CA VAL A 39 10.970 8.778 2.673 1.00 0.00 C ATOM 646 C VAL A 39 11.792 9.479 1.589 1.00 0.00 C ATOM 647 O VAL A 39 12.056 8.901 0.535 1.00 0.00 O ATOM 648 CB VAL A 39 11.186 7.264 2.702 1.00 0.00 C ATOM 649 CG1 VAL A 39 10.478 6.632 3.902 1.00 0.00 C ATOM 650 CG2 VAL A 39 10.728 6.619 1.392 1.00 0.00 C ATOM 0 H VAL A 39 9.244 9.010 1.509 1.00 0.00 H new ATOM 0 HA VAL A 39 11.310 9.159 3.636 1.00 0.00 H new ATOM 0 HB VAL A 39 12.255 7.080 2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 39 10.648 5.555 3.899 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.873 7.059 4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.408 6.831 3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.893 5.543 1.439 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.667 6.817 1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 39 11.298 7.037 0.562 1.00 0.00 H new ATOM 660 N PRO A 40 12.183 10.745 1.892 1.00 0.00 N ATOM 661 CA PRO A 40 12.969 11.530 0.956 1.00 0.00 C ATOM 662 C PRO A 40 14.422 11.052 0.924 1.00 0.00 C ATOM 663 O PRO A 40 15.341 11.833 1.164 1.00 0.00 O ATOM 664 CB PRO A 40 12.826 12.967 1.431 1.00 0.00 C ATOM 665 CG PRO A 40 12.354 12.885 2.873 1.00 0.00 C ATOM 666 CD PRO A 40 11.888 11.461 3.130 1.00 0.00 C ATOM 0 HA PRO A 40 12.623 11.428 -0.073 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.775 13.498 1.361 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.110 13.512 0.816 1.00 0.00 H new ATOM 0 HG2 PRO A 40 13.162 13.151 3.555 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.542 13.590 3.050 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.413 11.020 3.977 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.824 11.429 3.362 1.00 0.00 H new ATOM 674 N GLY A 41 14.583 9.772 0.624 1.00 0.00 N ATOM 675 CA GLY A 41 15.909 9.181 0.558 1.00 0.00 C ATOM 676 C GLY A 41 16.774 9.890 -0.486 1.00 0.00 C ATOM 677 O GLY A 41 17.765 10.533 -0.142 1.00 0.00 O ATOM 0 H GLY A 41 13.818 9.128 0.424 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.388 9.243 1.535 1.00 0.00 H new ATOM 0 HA3 GLY A 41 15.827 8.123 0.310 1.00 0.00 H new ATOM 681 N GLY A 42 16.368 9.750 -1.739 1.00 0.00 N ATOM 682 CA GLY A 42 17.094 10.370 -2.835 1.00 0.00 C ATOM 683 C GLY A 42 16.908 11.889 -2.825 1.00 0.00 C ATOM 684 O GLY A 42 15.797 12.381 -2.636 1.00 0.00 O ATOM 0 H GLY A 42 15.545 9.216 -2.020 1.00 0.00 H new ATOM 0 HA2 GLY A 42 18.154 10.129 -2.756 1.00 0.00 H new ATOM 0 HA3 GLY A 42 16.744 9.963 -3.784 1.00 0.00 H new ATOM 688 N CYS A 43 18.014 12.589 -3.032 1.00 0.00 N ATOM 689 CA CYS A 43 17.987 14.042 -3.050 1.00 0.00 C ATOM 690 C CYS A 43 16.945 14.490 -4.076 1.00 0.00 C ATOM 691 O CYS A 43 16.112 15.347 -3.786 1.00 0.00 O ATOM 692 CB CYS A 43 19.369 14.629 -3.345 1.00 0.00 C ATOM 693 SG CYS A 43 19.488 16.322 -2.660 1.00 0.00 S ATOM 0 H CYS A 43 18.934 12.177 -3.189 1.00 0.00 H new ATOM 0 HA CYS A 43 17.709 14.416 -2.065 1.00 0.00 H new ATOM 0 HB2 CYS A 43 20.143 13.996 -2.910 1.00 0.00 H new ATOM 0 HB3 CYS A 43 19.542 14.650 -4.421 1.00 0.00 H new ATOM 0 HG CYS A 43 20.665 16.811 -2.914 1.00 0.00 H new ATOM 699 N SER A 44 17.026 13.891 -5.255 1.00 0.00 N ATOM 700 CA SER A 44 16.101 14.218 -6.326 1.00 0.00 C ATOM 701 C SER A 44 15.189 13.024 -6.614 1.00 0.00 C ATOM 702 O SER A 44 14.519 12.983 -7.644 1.00 0.00 O ATOM 703 CB SER A 44 16.850 14.631 -7.595 1.00 0.00 C ATOM 704 OG SER A 44 16.393 15.882 -8.101 1.00 0.00 O ATOM 0 H SER A 44 17.719 13.181 -5.492 1.00 0.00 H new ATOM 0 HA SER A 44 15.492 15.063 -6.004 1.00 0.00 H new ATOM 0 HB2 SER A 44 17.917 14.694 -7.382 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.722 13.863 -8.358 1.00 0.00 H new ATOM 0 HG SER A 44 16.897 16.111 -8.910 1.00 0.00 H new ATOM 710 N GLY A 45 15.193 12.080 -5.683 1.00 0.00 N ATOM 711 CA GLY A 45 14.374 10.888 -5.824 1.00 0.00 C ATOM 712 C GLY A 45 13.567 10.624 -4.551 1.00 0.00 C ATOM 713 O GLY A 45 13.589 9.516 -4.016 1.00 0.00 O ATOM 0 H GLY A 45 15.750 12.117 -4.829 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.697 11.005 -6.670 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.009 10.029 -6.041 1.00 0.00 H new ATOM 717 N PHE A 46 12.874 11.661 -4.102 1.00 0.00 N ATOM 718 CA PHE A 46 12.061 11.555 -2.903 1.00 0.00 C ATOM 719 C PHE A 46 10.676 10.993 -3.227 1.00 0.00 C ATOM 720 O PHE A 46 9.869 11.656 -3.877 1.00 0.00 O ATOM 721 CB PHE A 46 11.906 12.970 -2.341 1.00 0.00 C ATOM 722 CG PHE A 46 11.299 13.968 -3.329 1.00 0.00 C ATOM 723 CD1 PHE A 46 9.951 14.139 -3.380 1.00 0.00 C ATOM 724 CD2 PHE A 46 12.107 14.684 -4.156 1.00 0.00 C ATOM 725 CE1 PHE A 46 9.387 15.066 -4.297 1.00 0.00 C ATOM 726 CE2 PHE A 46 11.544 15.610 -5.073 1.00 0.00 C ATOM 727 CZ PHE A 46 10.195 15.782 -5.124 1.00 0.00 C ATOM 0 H PHE A 46 12.859 12.578 -4.548 1.00 0.00 H new ATOM 0 HA PHE A 46 12.538 10.883 -2.189 1.00 0.00 H new ATOM 0 HB2 PHE A 46 11.280 12.930 -1.450 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.884 13.334 -2.027 1.00 0.00 H new ATOM 0 HD1 PHE A 46 9.309 13.570 -2.724 1.00 0.00 H new ATOM 0 HD2 PHE A 46 13.178 14.548 -4.115 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.316 15.202 -4.337 1.00 0.00 H new ATOM 0 HE2 PHE A 46 12.186 16.178 -5.730 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.766 16.487 -5.821 1.00 0.00 H new ATOM 737 N GLN A 47 10.442 9.775 -2.759 1.00 0.00 N ATOM 738 CA GLN A 47 9.168 9.117 -2.991 1.00 0.00 C ATOM 739 C GLN A 47 8.809 8.221 -1.803 1.00 0.00 C ATOM 740 O GLN A 47 9.608 8.056 -0.882 1.00 0.00 O ATOM 741 CB GLN A 47 9.194 8.315 -4.294 1.00 0.00 C ATOM 742 CG GLN A 47 9.161 9.243 -5.510 1.00 0.00 C ATOM 743 CD GLN A 47 10.565 9.446 -6.083 1.00 0.00 C ATOM 744 OE1 GLN A 47 11.565 9.084 -5.486 1.00 0.00 O ATOM 745 NE2 GLN A 47 10.583 10.044 -7.271 1.00 0.00 N ATOM 0 H GLN A 47 11.113 9.227 -2.221 1.00 0.00 H new ATOM 0 HA GLN A 47 8.399 9.883 -3.089 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.092 7.698 -4.327 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.340 7.638 -4.326 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.509 8.822 -6.276 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.738 10.206 -5.225 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.708 10.321 -7.716 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.472 10.225 -7.737 1.00 0.00 H new ATOM 754 N TYR A 48 7.607 7.667 -1.863 1.00 0.00 N ATOM 755 CA TYR A 48 7.133 6.793 -0.804 1.00 0.00 C ATOM 756 C TYR A 48 7.525 5.339 -1.076 1.00 0.00 C ATOM 757 O TYR A 48 7.131 4.765 -2.090 1.00 0.00 O ATOM 758 CB TYR A 48 5.607 6.907 -0.813 1.00 0.00 C ATOM 759 CG TYR A 48 5.092 8.346 -0.880 1.00 0.00 C ATOM 760 CD1 TYR A 48 4.867 8.943 -2.103 1.00 0.00 C ATOM 761 CD2 TYR A 48 4.852 9.047 0.285 1.00 0.00 C ATOM 762 CE1 TYR A 48 4.381 10.297 -2.166 1.00 0.00 C ATOM 763 CE2 TYR A 48 4.366 10.401 0.223 1.00 0.00 C ATOM 764 CZ TYR A 48 4.155 10.959 -1.000 1.00 0.00 C ATOM 765 OH TYR A 48 3.697 12.239 -1.058 1.00 0.00 O ATOM 0 H TYR A 48 6.947 7.807 -2.628 1.00 0.00 H new ATOM 0 HA TYR A 48 7.568 7.080 0.153 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.216 6.352 -1.666 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.212 6.432 0.085 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.055 8.394 -3.014 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.029 8.580 1.243 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.200 10.776 -3.117 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.173 10.961 1.126 1.00 0.00 H new ATOM 0 HH TYR A 48 4.068 12.753 -0.311 1.00 0.00 H new ATOM 775 N ALA A 49 8.298 4.785 -0.152 1.00 0.00 N ATOM 776 CA ALA A 49 8.748 3.409 -0.280 1.00 0.00 C ATOM 777 C ALA A 49 7.681 2.473 0.292 1.00 0.00 C ATOM 778 O ALA A 49 6.841 2.895 1.085 1.00 0.00 O ATOM 779 CB ALA A 49 10.100 3.248 0.417 1.00 0.00 C ATOM 0 H ALA A 49 8.624 5.264 0.688 1.00 0.00 H new ATOM 0 HA ALA A 49 8.889 3.146 -1.329 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.438 2.216 0.321 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.829 3.913 -0.045 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.997 3.500 1.473 1.00 0.00 H new ATOM 785 N MET A 50 7.750 1.220 -0.134 1.00 0.00 N ATOM 786 CA MET A 50 6.800 0.221 0.326 1.00 0.00 C ATOM 787 C MET A 50 7.396 -0.622 1.455 1.00 0.00 C ATOM 788 O MET A 50 8.567 -0.469 1.798 1.00 0.00 O ATOM 789 CB MET A 50 6.412 -0.689 -0.841 1.00 0.00 C ATOM 790 CG MET A 50 5.764 0.114 -1.970 1.00 0.00 C ATOM 791 SD MET A 50 5.364 -0.964 -3.335 1.00 0.00 S ATOM 792 CE MET A 50 3.722 -0.381 -3.720 1.00 0.00 C ATOM 0 H MET A 50 8.448 0.874 -0.792 1.00 0.00 H new ATOM 0 HA MET A 50 5.917 0.734 0.708 1.00 0.00 H new ATOM 0 HB2 MET A 50 7.297 -1.202 -1.217 1.00 0.00 H new ATOM 0 HB3 MET A 50 5.721 -1.457 -0.494 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.861 0.604 -1.607 1.00 0.00 H new ATOM 0 HG3 MET A 50 6.441 0.900 -2.303 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.040 -1.229 -3.783 1.00 0.00 H new ATOM 0 HE2 MET A 50 3.384 0.298 -2.937 1.00 0.00 H new ATOM 0 HE3 MET A 50 3.737 0.145 -4.675 1.00 0.00 H new ATOM 802 N GLY A 51 6.562 -1.495 2.002 1.00 0.00 N ATOM 803 CA GLY A 51 6.991 -2.363 3.085 1.00 0.00 C ATOM 804 C GLY A 51 5.863 -3.302 3.516 1.00 0.00 C ATOM 805 O GLY A 51 4.715 -3.124 3.112 1.00 0.00 O ATOM 0 H GLY A 51 5.591 -1.619 1.715 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.854 -2.948 2.767 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.311 -1.759 3.934 1.00 0.00 H new ATOM 809 N PHE A 52 6.229 -4.281 4.330 1.00 0.00 N ATOM 810 CA PHE A 52 5.262 -5.249 4.819 1.00 0.00 C ATOM 811 C PHE A 52 5.386 -5.430 6.333 1.00 0.00 C ATOM 812 O PHE A 52 6.244 -6.175 6.804 1.00 0.00 O ATOM 813 CB PHE A 52 5.572 -6.579 4.131 1.00 0.00 C ATOM 814 CG PHE A 52 7.065 -6.834 3.913 1.00 0.00 C ATOM 815 CD1 PHE A 52 7.718 -6.220 2.890 1.00 0.00 C ATOM 816 CD2 PHE A 52 7.739 -7.675 4.743 1.00 0.00 C ATOM 817 CE1 PHE A 52 9.103 -6.456 2.689 1.00 0.00 C ATOM 818 CE2 PHE A 52 9.125 -7.911 4.541 1.00 0.00 C ATOM 819 CZ PHE A 52 9.777 -7.297 3.518 1.00 0.00 C ATOM 0 H PHE A 52 7.182 -4.425 4.663 1.00 0.00 H new ATOM 0 HA PHE A 52 4.250 -4.906 4.602 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.159 -7.391 4.730 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.065 -6.604 3.166 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.183 -5.553 2.231 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.221 -8.163 5.555 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.622 -5.967 1.877 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.661 -8.578 5.200 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.831 -7.477 3.364 1.00 0.00 H new ATOM 829 N ASP A 53 4.517 -4.737 7.054 1.00 0.00 N ATOM 830 CA ASP A 53 4.518 -4.812 8.505 1.00 0.00 C ATOM 831 C ASP A 53 3.093 -5.067 8.999 1.00 0.00 C ATOM 832 O ASP A 53 2.172 -4.327 8.657 1.00 0.00 O ATOM 833 CB ASP A 53 5.007 -3.501 9.124 1.00 0.00 C ATOM 834 CG ASP A 53 6.510 -3.247 8.998 1.00 0.00 C ATOM 835 OD1 ASP A 53 6.978 -3.172 7.841 1.00 0.00 O ATOM 836 OD2 ASP A 53 7.158 -3.134 10.061 1.00 0.00 O ATOM 0 H ASP A 53 3.807 -4.120 6.660 1.00 0.00 H new ATOM 0 HA ASP A 53 5.186 -5.621 8.801 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.474 -2.674 8.655 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.740 -3.494 10.181 1.00 0.00 H new ATOM 841 N ASP A 54 2.956 -6.116 9.797 1.00 0.00 N ATOM 842 CA ASP A 54 1.658 -6.477 10.342 1.00 0.00 C ATOM 843 C ASP A 54 1.183 -5.373 11.289 1.00 0.00 C ATOM 844 O ASP A 54 0.032 -4.946 11.222 1.00 0.00 O ATOM 845 CB ASP A 54 1.739 -7.781 11.139 1.00 0.00 C ATOM 846 CG ASP A 54 0.663 -8.814 10.798 1.00 0.00 C ATOM 847 OD1 ASP A 54 0.868 -9.539 9.801 1.00 0.00 O ATOM 848 OD2 ASP A 54 -0.339 -8.855 11.544 1.00 0.00 O ATOM 0 H ASP A 54 3.722 -6.727 10.079 1.00 0.00 H new ATOM 0 HA ASP A 54 0.966 -6.605 9.510 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.718 -8.230 10.974 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.672 -7.545 12.201 1.00 0.00 H new ATOM 853 N THR A 55 2.094 -4.943 12.150 1.00 0.00 N ATOM 854 CA THR A 55 1.782 -3.898 13.110 1.00 0.00 C ATOM 855 C THR A 55 0.971 -2.785 12.442 1.00 0.00 C ATOM 856 O THR A 55 0.974 -2.659 11.218 1.00 0.00 O ATOM 857 CB THR A 55 3.097 -3.409 13.720 1.00 0.00 C ATOM 858 OG1 THR A 55 2.689 -2.527 14.763 1.00 0.00 O ATOM 859 CG2 THR A 55 3.888 -2.513 12.765 1.00 0.00 C ATOM 0 H THR A 55 3.048 -5.299 12.203 1.00 0.00 H new ATOM 0 HA THR A 55 1.153 -4.276 13.916 1.00 0.00 H new ATOM 0 HB THR A 55 3.707 -4.267 14.003 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.480 -2.165 15.214 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.812 -2.194 13.247 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.125 -3.068 11.858 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.291 -1.638 12.509 1.00 0.00 H new ATOM 867 N VAL A 56 0.296 -2.007 13.274 1.00 0.00 N ATOM 868 CA VAL A 56 -0.518 -0.909 12.780 1.00 0.00 C ATOM 869 C VAL A 56 -0.385 0.285 13.726 1.00 0.00 C ATOM 870 O VAL A 56 -0.072 0.117 14.904 1.00 0.00 O ATOM 871 CB VAL A 56 -1.965 -1.371 12.599 1.00 0.00 C ATOM 872 CG1 VAL A 56 -2.946 -0.295 13.069 1.00 0.00 C ATOM 873 CG2 VAL A 56 -2.238 -1.766 11.147 1.00 0.00 C ATOM 0 H VAL A 56 0.296 -2.115 14.288 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.169 -0.586 11.799 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.114 -2.255 13.219 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.968 -0.648 12.930 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.776 -0.084 14.125 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.794 0.615 12.488 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.274 -2.090 11.047 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.062 -0.909 10.497 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.573 -2.581 10.860 1.00 0.00 H new ATOM 883 N GLU A 57 -0.628 1.466 13.176 1.00 0.00 N ATOM 884 CA GLU A 57 -0.540 2.688 13.956 1.00 0.00 C ATOM 885 C GLU A 57 -1.870 2.967 14.659 1.00 0.00 C ATOM 886 O GLU A 57 -2.870 2.304 14.388 1.00 0.00 O ATOM 887 CB GLU A 57 -0.125 3.870 13.078 1.00 0.00 C ATOM 888 CG GLU A 57 1.064 3.502 12.189 1.00 0.00 C ATOM 889 CD GLU A 57 2.352 4.152 12.698 1.00 0.00 C ATOM 890 OE1 GLU A 57 2.393 5.401 12.706 1.00 0.00 O ATOM 891 OE2 GLU A 57 3.267 3.385 13.068 1.00 0.00 O ATOM 0 H GLU A 57 -0.886 1.602 12.199 1.00 0.00 H new ATOM 0 HA GLU A 57 0.229 2.555 14.717 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.966 4.179 12.457 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.136 4.721 13.707 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.184 2.419 12.166 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.870 3.823 11.166 1.00 0.00 H new ATOM 898 N GLU A 58 -1.839 3.950 15.547 1.00 0.00 N ATOM 899 CA GLU A 58 -3.030 4.325 16.290 1.00 0.00 C ATOM 900 C GLU A 58 -3.879 5.303 15.475 1.00 0.00 C ATOM 901 O GLU A 58 -4.657 6.072 16.036 1.00 0.00 O ATOM 902 CB GLU A 58 -2.663 4.920 17.651 1.00 0.00 C ATOM 903 CG GLU A 58 -3.777 4.681 18.672 1.00 0.00 C ATOM 904 CD GLU A 58 -3.283 4.952 20.095 1.00 0.00 C ATOM 905 OE1 GLU A 58 -2.717 6.047 20.300 1.00 0.00 O ATOM 906 OE2 GLU A 58 -3.483 4.058 20.945 1.00 0.00 O ATOM 0 H GLU A 58 -1.008 4.498 15.769 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.619 3.426 16.470 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.735 4.474 18.009 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.483 5.990 17.548 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.625 5.328 18.448 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.131 3.653 18.596 1.00 0.00 H new ATOM 913 N GLY A 59 -3.699 5.241 14.163 1.00 0.00 N ATOM 914 CA GLY A 59 -4.439 6.112 13.265 1.00 0.00 C ATOM 915 C GLY A 59 -3.893 6.019 11.839 1.00 0.00 C ATOM 916 O GLY A 59 -3.555 7.034 11.232 1.00 0.00 O ATOM 0 H GLY A 59 -3.052 4.602 13.701 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.494 5.837 13.273 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.375 7.142 13.616 1.00 0.00 H new ATOM 920 N ASP A 60 -3.824 4.792 11.345 1.00 0.00 N ATOM 921 CA ASP A 60 -3.326 4.553 10.001 1.00 0.00 C ATOM 922 C ASP A 60 -4.508 4.420 9.039 1.00 0.00 C ATOM 923 O ASP A 60 -5.546 3.866 9.398 1.00 0.00 O ATOM 924 CB ASP A 60 -2.515 3.256 9.936 1.00 0.00 C ATOM 925 CG ASP A 60 -1.010 3.444 9.735 1.00 0.00 C ATOM 926 OD1 ASP A 60 -0.617 4.590 9.431 1.00 0.00 O ATOM 927 OD2 ASP A 60 -0.287 2.436 9.890 1.00 0.00 O ATOM 0 H ASP A 60 -4.105 3.952 11.851 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.687 5.392 9.724 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.676 2.698 10.858 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.902 2.644 9.121 1.00 0.00 H new ATOM 932 N HIS A 61 -4.311 4.937 7.835 1.00 0.00 N ATOM 933 CA HIS A 61 -5.348 4.883 6.819 1.00 0.00 C ATOM 934 C HIS A 61 -5.457 3.459 6.272 1.00 0.00 C ATOM 935 O HIS A 61 -4.632 3.035 5.464 1.00 0.00 O ATOM 936 CB HIS A 61 -5.090 5.921 5.724 1.00 0.00 C ATOM 937 CG HIS A 61 -4.812 7.309 6.247 1.00 0.00 C ATOM 938 ND1 HIS A 61 -5.342 7.784 7.434 1.00 0.00 N ATOM 939 CD2 HIS A 61 -4.053 8.320 5.733 1.00 0.00 C ATOM 940 CE1 HIS A 61 -4.916 9.025 7.616 1.00 0.00 C ATOM 941 NE2 HIS A 61 -4.118 9.356 6.561 1.00 0.00 N ATOM 0 H HIS A 61 -3.449 5.395 7.540 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.310 5.139 7.262 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -4.243 5.595 5.121 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -5.956 5.960 5.063 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -5.957 7.266 8.062 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -3.494 8.284 4.809 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -5.158 9.663 8.453 1.00 0.00 H new ATOM 949 N VAL A 62 -6.482 2.758 6.735 1.00 0.00 N ATOM 950 CA VAL A 62 -6.710 1.390 6.302 1.00 0.00 C ATOM 951 C VAL A 62 -7.305 1.398 4.893 1.00 0.00 C ATOM 952 O VAL A 62 -8.418 1.879 4.688 1.00 0.00 O ATOM 953 CB VAL A 62 -7.590 0.659 7.319 1.00 0.00 C ATOM 954 CG1 VAL A 62 -8.868 0.135 6.661 1.00 0.00 C ATOM 955 CG2 VAL A 62 -6.818 -0.473 7.998 1.00 0.00 C ATOM 0 H VAL A 62 -7.164 3.112 7.406 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.769 0.843 6.254 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.879 1.375 8.088 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -9.475 -0.380 7.405 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.433 0.970 6.247 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.608 -0.559 5.862 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.466 -0.976 8.716 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.485 -1.188 7.246 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.952 -0.063 8.517 1.00 0.00 H new ATOM 965 N PHE A 63 -6.536 0.859 3.958 1.00 0.00 N ATOM 966 CA PHE A 63 -6.974 0.798 2.573 1.00 0.00 C ATOM 967 C PHE A 63 -7.136 -0.652 2.113 1.00 0.00 C ATOM 968 O PHE A 63 -6.154 -1.386 2.004 1.00 0.00 O ATOM 969 CB PHE A 63 -5.887 1.469 1.731 1.00 0.00 C ATOM 970 CG PHE A 63 -6.188 2.927 1.375 1.00 0.00 C ATOM 971 CD1 PHE A 63 -6.035 3.901 2.312 1.00 0.00 C ATOM 972 CD2 PHE A 63 -6.607 3.248 0.122 1.00 0.00 C ATOM 973 CE1 PHE A 63 -6.313 5.253 1.982 1.00 0.00 C ATOM 974 CE2 PHE A 63 -6.886 4.601 -0.208 1.00 0.00 C ATOM 975 CZ PHE A 63 -6.733 5.575 0.729 1.00 0.00 C ATOM 0 H PHE A 63 -5.613 0.461 4.132 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.938 1.295 2.465 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.943 1.426 2.274 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.752 0.901 0.810 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.702 3.646 3.307 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.728 2.475 -0.622 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.191 6.026 2.726 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.220 4.856 -1.203 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.945 6.604 0.478 1.00 0.00 H new ATOM 985 N GLU A 64 -8.382 -1.022 1.856 1.00 0.00 N ATOM 986 CA GLU A 64 -8.685 -2.372 1.410 1.00 0.00 C ATOM 987 C GLU A 64 -8.313 -2.539 -0.065 1.00 0.00 C ATOM 988 O GLU A 64 -8.724 -1.743 -0.907 1.00 0.00 O ATOM 989 CB GLU A 64 -10.158 -2.709 1.646 1.00 0.00 C ATOM 990 CG GLU A 64 -10.543 -2.491 3.110 1.00 0.00 C ATOM 991 CD GLU A 64 -11.971 -2.969 3.379 1.00 0.00 C ATOM 992 OE1 GLU A 64 -12.175 -4.202 3.333 1.00 0.00 O ATOM 993 OE2 GLU A 64 -12.827 -2.092 3.624 1.00 0.00 O ATOM 0 H GLU A 64 -9.193 -0.411 1.948 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.088 -3.071 1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.784 -2.088 1.005 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.347 -3.746 1.367 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.848 -3.028 3.756 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.457 -1.433 3.359 1.00 0.00 H new ATOM 1000 N TYR A 65 -7.539 -3.581 -0.332 1.00 0.00 N ATOM 1001 CA TYR A 65 -7.107 -3.863 -1.691 1.00 0.00 C ATOM 1002 C TYR A 65 -7.535 -5.268 -2.121 1.00 0.00 C ATOM 1003 O TYR A 65 -8.359 -5.899 -1.462 1.00 0.00 O ATOM 1004 CB TYR A 65 -5.579 -3.792 -1.671 1.00 0.00 C ATOM 1005 CG TYR A 65 -5.012 -2.452 -2.145 1.00 0.00 C ATOM 1006 CD1 TYR A 65 -5.105 -2.095 -3.475 1.00 0.00 C ATOM 1007 CD2 TYR A 65 -4.408 -1.600 -1.243 1.00 0.00 C ATOM 1008 CE1 TYR A 65 -4.572 -0.834 -3.921 1.00 0.00 C ATOM 1009 CE2 TYR A 65 -3.875 -0.339 -1.689 1.00 0.00 C ATOM 1010 CZ TYR A 65 -3.983 -0.018 -3.006 1.00 0.00 C ATOM 1011 OH TYR A 65 -3.480 1.173 -3.427 1.00 0.00 O ATOM 0 H TYR A 65 -7.200 -4.240 0.369 1.00 0.00 H new ATOM 0 HA TYR A 65 -7.549 -3.153 -2.390 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.230 -3.984 -0.656 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.180 -4.587 -2.301 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.578 -2.762 -4.181 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.335 -1.879 -0.202 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -4.638 -0.543 -4.959 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -3.400 0.337 -0.993 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.090 1.651 -2.665 1.00 0.00 H new ATOM 1021 N ASP A 66 -6.955 -5.716 -3.225 1.00 0.00 N ATOM 1022 CA ASP A 66 -7.265 -7.034 -3.751 1.00 0.00 C ATOM 1023 C ASP A 66 -6.748 -8.100 -2.783 1.00 0.00 C ATOM 1024 O ASP A 66 -5.779 -8.797 -3.082 1.00 0.00 O ATOM 1025 CB ASP A 66 -6.592 -7.259 -5.106 1.00 0.00 C ATOM 1026 CG ASP A 66 -7.272 -8.296 -6.002 1.00 0.00 C ATOM 1027 OD1 ASP A 66 -8.451 -8.602 -5.723 1.00 0.00 O ATOM 1028 OD2 ASP A 66 -6.596 -8.761 -6.946 1.00 0.00 O ATOM 0 H ASP A 66 -6.272 -5.189 -3.770 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.346 -7.103 -3.870 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.556 -6.309 -5.639 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.561 -7.569 -4.936 1.00 0.00 H new ATOM 1033 N GLY A 67 -7.417 -8.193 -1.643 1.00 0.00 N ATOM 1034 CA GLY A 67 -7.036 -9.163 -0.630 1.00 0.00 C ATOM 1035 C GLY A 67 -5.736 -8.749 0.064 1.00 0.00 C ATOM 1036 O GLY A 67 -4.919 -9.598 0.415 1.00 0.00 O ATOM 0 H GLY A 67 -8.220 -7.613 -1.398 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.833 -9.256 0.108 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.911 -10.144 -1.089 1.00 0.00 H new ATOM 1040 N VAL A 68 -5.586 -7.445 0.240 1.00 0.00 N ATOM 1041 CA VAL A 68 -4.400 -6.908 0.885 1.00 0.00 C ATOM 1042 C VAL A 68 -4.783 -5.672 1.701 1.00 0.00 C ATOM 1043 O VAL A 68 -5.672 -4.917 1.310 1.00 0.00 O ATOM 1044 CB VAL A 68 -3.319 -6.624 -0.160 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -2.032 -6.130 0.503 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -3.053 -7.858 -1.023 1.00 0.00 C ATOM 0 H VAL A 68 -6.266 -6.744 -0.053 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.979 -7.637 1.578 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.684 -5.832 -0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.280 -5.936 -0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.236 -5.211 1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.662 -6.890 1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.281 -7.629 -1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.719 -8.680 -0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.969 -8.146 -1.538 1.00 0.00 H new ATOM 1056 N LYS A 69 -4.093 -5.503 2.819 1.00 0.00 N ATOM 1057 CA LYS A 69 -4.350 -4.371 3.693 1.00 0.00 C ATOM 1058 C LYS A 69 -3.228 -3.344 3.534 1.00 0.00 C ATOM 1059 O LYS A 69 -2.075 -3.709 3.308 1.00 0.00 O ATOM 1060 CB LYS A 69 -4.552 -4.842 5.135 1.00 0.00 C ATOM 1061 CG LYS A 69 -5.784 -4.183 5.760 1.00 0.00 C ATOM 1062 CD LYS A 69 -5.653 -4.110 7.282 1.00 0.00 C ATOM 1063 CE LYS A 69 -6.717 -4.970 7.967 1.00 0.00 C ATOM 1064 NZ LYS A 69 -7.292 -4.256 9.129 1.00 0.00 N ATOM 0 H LYS A 69 -3.356 -6.131 3.140 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.279 -3.876 3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.666 -5.926 5.155 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.668 -4.603 5.726 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.910 -3.179 5.354 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.677 -4.748 5.495 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.660 -4.447 7.581 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.751 -3.075 7.610 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.507 -5.216 7.257 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.277 -5.912 8.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.012 -4.854 9.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.538 -4.043 9.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.730 -3.369 8.809 1.00 0.00 H new ATOM 1078 N VAL A 70 -3.604 -2.080 3.657 1.00 0.00 N ATOM 1079 CA VAL A 70 -2.643 -0.997 3.529 1.00 0.00 C ATOM 1080 C VAL A 70 -2.833 -0.014 4.686 1.00 0.00 C ATOM 1081 O VAL A 70 -3.900 0.035 5.295 1.00 0.00 O ATOM 1082 CB VAL A 70 -2.778 -0.337 2.155 1.00 0.00 C ATOM 1083 CG1 VAL A 70 -2.317 1.121 2.200 1.00 0.00 C ATOM 1084 CG2 VAL A 70 -2.009 -1.123 1.092 1.00 0.00 C ATOM 0 H VAL A 70 -4.561 -1.781 3.844 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.625 -1.380 3.592 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.833 -0.346 1.880 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.423 1.567 1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.927 1.674 2.915 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.272 1.163 2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.121 -0.633 0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.953 -1.160 1.360 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.404 -2.137 1.033 1.00 0.00 H new ATOM 1094 N VAL A 71 -1.780 0.745 4.953 1.00 0.00 N ATOM 1095 CA VAL A 71 -1.817 1.725 6.026 1.00 0.00 C ATOM 1096 C VAL A 71 -0.996 2.950 5.621 1.00 0.00 C ATOM 1097 O VAL A 71 0.230 2.881 5.538 1.00 0.00 O ATOM 1098 CB VAL A 71 -1.336 1.088 7.332 1.00 0.00 C ATOM 1099 CG1 VAL A 71 -2.147 -0.167 7.661 1.00 0.00 C ATOM 1100 CG2 VAL A 71 0.160 0.775 7.271 1.00 0.00 C ATOM 0 H VAL A 71 -0.896 0.701 4.445 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.839 2.062 6.201 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.494 1.808 8.135 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.785 -0.600 8.593 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.199 0.097 7.768 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.036 -0.894 6.856 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.476 0.323 8.211 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.354 0.082 6.452 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.718 1.697 7.106 1.00 0.00 H new ATOM 1110 N ILE A 72 -1.704 4.044 5.379 1.00 0.00 N ATOM 1111 CA ILE A 72 -1.056 5.283 4.984 1.00 0.00 C ATOM 1112 C ILE A 72 -0.821 6.148 6.223 1.00 0.00 C ATOM 1113 O ILE A 72 -1.304 5.828 7.308 1.00 0.00 O ATOM 1114 CB ILE A 72 -1.862 5.983 3.888 1.00 0.00 C ATOM 1115 CG1 ILE A 72 -2.474 4.967 2.922 1.00 0.00 C ATOM 1116 CG2 ILE A 72 -1.008 7.024 3.160 1.00 0.00 C ATOM 1117 CD1 ILE A 72 -3.522 5.626 2.024 1.00 0.00 C ATOM 0 H ILE A 72 -2.720 4.098 5.449 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.078 5.080 4.547 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.688 6.516 4.359 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.689 4.526 2.308 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.932 4.154 3.486 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.604 7.507 2.386 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.662 7.773 3.872 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.148 6.534 2.703 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.941 4.882 1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.318 6.045 2.640 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.055 6.422 1.444 1.00 0.00 H new ATOM 1129 N ASP A 73 -0.079 7.227 6.021 1.00 0.00 N ATOM 1130 CA ASP A 73 0.226 8.141 7.109 1.00 0.00 C ATOM 1131 C ASP A 73 -0.674 9.373 7.001 1.00 0.00 C ATOM 1132 O ASP A 73 -1.227 9.651 5.938 1.00 0.00 O ATOM 1133 CB ASP A 73 1.680 8.610 7.043 1.00 0.00 C ATOM 1134 CG ASP A 73 2.531 8.253 8.263 1.00 0.00 C ATOM 1135 OD1 ASP A 73 2.078 7.381 9.036 1.00 0.00 O ATOM 1136 OD2 ASP A 73 3.616 8.859 8.396 1.00 0.00 O ATOM 0 H ASP A 73 0.320 7.489 5.120 1.00 0.00 H new ATOM 0 HA ASP A 73 0.060 7.614 8.049 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.145 8.179 6.156 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.691 9.692 6.915 1.00 0.00 H new ATOM 1141 N PRO A 74 -0.796 10.098 8.145 1.00 0.00 N ATOM 1142 CA PRO A 74 -1.619 11.294 8.190 1.00 0.00 C ATOM 1143 C PRO A 74 -0.927 12.462 7.482 1.00 0.00 C ATOM 1144 O PRO A 74 -1.584 13.411 7.056 1.00 0.00 O ATOM 1145 CB PRO A 74 -1.858 11.553 9.668 1.00 0.00 C ATOM 1146 CG PRO A 74 -0.784 10.771 10.407 1.00 0.00 C ATOM 1147 CD PRO A 74 -0.155 9.799 9.423 1.00 0.00 C ATOM 0 HA PRO A 74 -2.566 11.173 7.663 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.791 12.617 9.894 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.854 11.226 9.966 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.030 11.446 10.811 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.216 10.234 11.251 1.00 0.00 H new ATOM 0 HD2 PRO A 74 0.925 9.936 9.366 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.329 8.765 9.721 1.00 0.00 H new ATOM 1155 N PHE A 75 0.389 12.354 7.380 1.00 0.00 N ATOM 1156 CA PHE A 75 1.177 13.389 6.731 1.00 0.00 C ATOM 1157 C PHE A 75 1.333 13.104 5.236 1.00 0.00 C ATOM 1158 O PHE A 75 1.833 13.943 4.490 1.00 0.00 O ATOM 1159 CB PHE A 75 2.559 13.376 7.388 1.00 0.00 C ATOM 1160 CG PHE A 75 2.705 14.361 8.549 1.00 0.00 C ATOM 1161 CD1 PHE A 75 2.929 15.679 8.299 1.00 0.00 C ATOM 1162 CD2 PHE A 75 2.610 13.919 9.832 1.00 0.00 C ATOM 1163 CE1 PHE A 75 3.065 16.593 9.378 1.00 0.00 C ATOM 1164 CE2 PHE A 75 2.746 14.833 10.910 1.00 0.00 C ATOM 1165 CZ PHE A 75 2.970 16.151 10.660 1.00 0.00 C ATOM 0 H PHE A 75 0.930 11.566 7.736 1.00 0.00 H new ATOM 0 HA PHE A 75 0.684 14.355 6.839 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.768 12.370 7.750 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.311 13.606 6.633 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.003 16.031 7.281 1.00 0.00 H new ATOM 0 HD2 PHE A 75 2.431 12.873 10.031 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.244 17.639 9.180 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.672 14.482 11.929 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.072 16.846 11.480 1.00 0.00 H new ATOM 1175 N SER A 76 0.895 11.916 4.844 1.00 0.00 N ATOM 1176 CA SER A 76 0.979 11.510 3.452 1.00 0.00 C ATOM 1177 C SER A 76 -0.283 11.943 2.702 1.00 0.00 C ATOM 1178 O SER A 76 -0.252 12.140 1.489 1.00 0.00 O ATOM 1179 CB SER A 76 1.176 9.998 3.330 1.00 0.00 C ATOM 1180 OG SER A 76 1.614 9.619 2.028 1.00 0.00 O ATOM 0 H SER A 76 0.481 11.222 5.467 1.00 0.00 H new ATOM 0 HA SER A 76 1.845 11.999 3.006 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.906 9.667 4.069 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.239 9.491 3.559 1.00 0.00 H new ATOM 0 HG SER A 76 2.473 10.049 1.834 1.00 0.00 H new ATOM 1186 N MET A 77 -1.363 12.079 3.457 1.00 0.00 N ATOM 1187 CA MET A 77 -2.633 12.484 2.880 1.00 0.00 C ATOM 1188 C MET A 77 -2.504 13.829 2.160 1.00 0.00 C ATOM 1189 O MET A 77 -2.898 13.957 1.002 1.00 0.00 O ATOM 1190 CB MET A 77 -3.685 12.596 3.986 1.00 0.00 C ATOM 1191 CG MET A 77 -4.949 11.815 3.621 1.00 0.00 C ATOM 1192 SD MET A 77 -4.540 10.107 3.302 1.00 0.00 S ATOM 1193 CE MET A 77 -4.828 10.044 1.541 1.00 0.00 C ATOM 0 H MET A 77 -1.385 11.916 4.464 1.00 0.00 H new ATOM 0 HA MET A 77 -2.937 11.731 2.153 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.276 12.216 4.922 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.935 13.644 4.150 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.673 11.879 4.433 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.418 12.256 2.741 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.195 9.055 1.267 1.00 0.00 H new ATOM 0 HE2 MET A 77 -5.569 10.794 1.267 1.00 0.00 H new ATOM 0 HE3 MET A 77 -3.896 10.245 1.013 1.00 0.00 H new ATOM 1203 N PRO A 78 -1.936 14.822 2.896 1.00 0.00 N ATOM 1204 CA PRO A 78 -1.749 16.151 2.340 1.00 0.00 C ATOM 1205 C PRO A 78 -0.585 16.173 1.348 1.00 0.00 C ATOM 1206 O PRO A 78 -0.248 17.223 0.803 1.00 0.00 O ATOM 1207 CB PRO A 78 -1.521 17.052 3.543 1.00 0.00 C ATOM 1208 CG PRO A 78 -1.126 16.130 4.685 1.00 0.00 C ATOM 1209 CD PRO A 78 -1.457 14.705 4.270 1.00 0.00 C ATOM 0 HA PRO A 78 -2.609 16.489 1.762 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.737 17.782 3.341 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.423 17.613 3.788 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.062 16.227 4.903 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.664 16.397 5.595 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.580 14.061 4.330 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.217 14.270 4.919 1.00 0.00 H new ATOM 1217 N TYR A 79 -0.003 15.000 1.142 1.00 0.00 N ATOM 1218 CA TYR A 79 1.116 14.871 0.224 1.00 0.00 C ATOM 1219 C TYR A 79 0.736 14.019 -0.988 1.00 0.00 C ATOM 1220 O TYR A 79 1.348 14.134 -2.049 1.00 0.00 O ATOM 1221 CB TYR A 79 2.223 14.160 1.006 1.00 0.00 C ATOM 1222 CG TYR A 79 3.623 14.719 0.750 1.00 0.00 C ATOM 1223 CD1 TYR A 79 3.951 15.215 -0.496 1.00 0.00 C ATOM 1224 CD2 TYR A 79 4.559 14.728 1.764 1.00 0.00 C ATOM 1225 CE1 TYR A 79 5.270 15.741 -0.737 1.00 0.00 C ATOM 1226 CE2 TYR A 79 5.878 15.254 1.523 1.00 0.00 C ATOM 1227 CZ TYR A 79 6.168 15.735 0.284 1.00 0.00 C ATOM 1228 OH TYR A 79 7.413 16.232 0.057 1.00 0.00 O ATOM 0 H TYR A 79 -0.285 14.131 1.595 1.00 0.00 H new ATOM 0 HA TYR A 79 1.426 15.849 -0.143 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.004 14.231 2.071 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.213 13.101 0.748 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.219 15.209 -1.290 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.302 14.340 2.739 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.540 16.132 -1.707 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.620 15.266 2.308 1.00 0.00 H new ATOM 0 HH TYR A 79 7.947 16.164 0.876 1.00 0.00 H new ATOM 1238 N VAL A 80 -0.272 13.182 -0.790 1.00 0.00 N ATOM 1239 CA VAL A 80 -0.741 12.310 -1.854 1.00 0.00 C ATOM 1240 C VAL A 80 -2.271 12.272 -1.838 1.00 0.00 C ATOM 1241 O VAL A 80 -2.871 11.217 -2.038 1.00 0.00 O ATOM 1242 CB VAL A 80 -0.107 10.925 -1.713 1.00 0.00 C ATOM 1243 CG1 VAL A 80 1.416 11.028 -1.601 1.00 0.00 C ATOM 1244 CG2 VAL A 80 -0.695 10.171 -0.518 1.00 0.00 C ATOM 0 H VAL A 80 -0.777 13.089 0.091 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.435 12.695 -2.827 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.339 10.357 -2.614 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.842 10.030 -1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.815 11.505 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.677 11.622 -0.725 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.227 9.190 -0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.508 10.735 0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.769 10.051 -0.657 1.00 0.00 H new ATOM 1254 N ASN A 81 -2.858 13.435 -1.600 1.00 0.00 N ATOM 1255 CA ASN A 81 -4.306 13.548 -1.556 1.00 0.00 C ATOM 1256 C ASN A 81 -4.870 13.360 -2.965 1.00 0.00 C ATOM 1257 O ASN A 81 -4.771 14.256 -3.802 1.00 0.00 O ATOM 1258 CB ASN A 81 -4.736 14.928 -1.054 1.00 0.00 C ATOM 1259 CG ASN A 81 -6.220 15.173 -1.331 1.00 0.00 C ATOM 1260 OD1 ASN A 81 -7.019 14.257 -1.433 1.00 0.00 O ATOM 1261 ND2 ASN A 81 -6.544 16.458 -1.446 1.00 0.00 N ATOM 0 H ASN A 81 -2.357 14.308 -1.435 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.684 12.784 -0.877 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -4.544 15.006 0.016 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.139 15.699 -1.542 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -7.511 16.726 -1.631 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.826 17.176 -1.350 1.00 0.00 H new ATOM 1268 N GLY A 82 -5.451 12.189 -3.184 1.00 0.00 N ATOM 1269 CA GLY A 82 -6.032 11.872 -4.478 1.00 0.00 C ATOM 1270 C GLY A 82 -4.949 11.463 -5.479 1.00 0.00 C ATOM 1271 O GLY A 82 -5.256 11.074 -6.605 1.00 0.00 O ATOM 0 H GLY A 82 -5.532 11.448 -2.487 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.755 11.064 -4.368 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.576 12.737 -4.858 1.00 0.00 H new ATOM 1275 N ALA A 83 -3.706 11.565 -5.033 1.00 0.00 N ATOM 1276 CA ALA A 83 -2.577 11.211 -5.876 1.00 0.00 C ATOM 1277 C ALA A 83 -2.476 9.687 -5.971 1.00 0.00 C ATOM 1278 O ALA A 83 -3.156 8.969 -5.240 1.00 0.00 O ATOM 1279 CB ALA A 83 -1.302 11.846 -5.316 1.00 0.00 C ATOM 0 H ALA A 83 -3.456 11.888 -4.098 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.716 11.596 -6.886 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.455 11.580 -5.949 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.414 12.930 -5.296 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.128 11.481 -4.304 1.00 0.00 H new ATOM 1285 N GLU A 84 -1.620 9.239 -6.878 1.00 0.00 N ATOM 1286 CA GLU A 84 -1.421 7.813 -7.079 1.00 0.00 C ATOM 1287 C GLU A 84 0.066 7.467 -6.984 1.00 0.00 C ATOM 1288 O GLU A 84 0.912 8.206 -7.484 1.00 0.00 O ATOM 1289 CB GLU A 84 -2.006 7.361 -8.419 1.00 0.00 C ATOM 1290 CG GLU A 84 -1.263 8.010 -9.588 1.00 0.00 C ATOM 1291 CD GLU A 84 -2.239 8.454 -10.680 1.00 0.00 C ATOM 1292 OE1 GLU A 84 -3.108 9.292 -10.358 1.00 0.00 O ATOM 1293 OE2 GLU A 84 -2.094 7.944 -11.812 1.00 0.00 O ATOM 0 H GLU A 84 -1.057 9.838 -7.482 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.950 7.277 -6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.942 6.276 -8.500 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.063 7.622 -8.465 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.696 8.870 -9.231 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.544 7.304 -10.003 1.00 0.00 H new ATOM 1300 N LEU A 85 0.339 6.341 -6.340 1.00 0.00 N ATOM 1301 CA LEU A 85 1.709 5.888 -6.174 1.00 0.00 C ATOM 1302 C LEU A 85 1.994 4.763 -7.172 1.00 0.00 C ATOM 1303 O LEU A 85 1.506 3.646 -7.009 1.00 0.00 O ATOM 1304 CB LEU A 85 1.971 5.499 -4.718 1.00 0.00 C ATOM 1305 CG LEU A 85 2.999 4.387 -4.495 1.00 0.00 C ATOM 1306 CD1 LEU A 85 4.339 4.742 -5.142 1.00 0.00 C ATOM 1307 CD2 LEU A 85 3.147 4.068 -3.006 1.00 0.00 C ATOM 0 H LEU A 85 -0.366 5.730 -5.927 1.00 0.00 H new ATOM 0 HA LEU A 85 2.407 6.695 -6.395 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.303 6.387 -4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.027 5.189 -4.270 1.00 0.00 H new ATOM 0 HG LEU A 85 2.636 3.482 -4.983 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.052 3.936 -4.969 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.200 4.880 -6.214 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.721 5.664 -4.704 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.883 3.275 -2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.477 4.960 -2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.187 3.741 -2.607 1.00 0.00 H new ATOM 1319 N ASP A 86 2.783 5.098 -8.182 1.00 0.00 N ATOM 1320 CA ASP A 86 3.138 4.130 -9.206 1.00 0.00 C ATOM 1321 C ASP A 86 4.507 3.529 -8.880 1.00 0.00 C ATOM 1322 O ASP A 86 5.535 4.179 -9.067 1.00 0.00 O ATOM 1323 CB ASP A 86 3.229 4.793 -10.582 1.00 0.00 C ATOM 1324 CG ASP A 86 3.100 3.837 -11.770 1.00 0.00 C ATOM 1325 OD1 ASP A 86 3.530 2.674 -11.611 1.00 0.00 O ATOM 1326 OD2 ASP A 86 2.576 4.291 -12.810 1.00 0.00 O ATOM 0 H ASP A 86 3.186 6.026 -8.313 1.00 0.00 H new ATOM 0 HA ASP A 86 2.366 3.361 -9.226 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.447 5.549 -10.657 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.184 5.313 -10.656 1.00 0.00 H new ATOM 1331 N TYR A 87 4.476 2.296 -8.398 1.00 0.00 N ATOM 1332 CA TYR A 87 5.702 1.599 -8.044 1.00 0.00 C ATOM 1333 C TYR A 87 6.309 0.904 -9.264 1.00 0.00 C ATOM 1334 O TYR A 87 5.607 0.217 -10.005 1.00 0.00 O ATOM 1335 CB TYR A 87 5.303 0.541 -7.014 1.00 0.00 C ATOM 1336 CG TYR A 87 6.452 0.086 -6.112 1.00 0.00 C ATOM 1337 CD1 TYR A 87 6.863 0.884 -5.064 1.00 0.00 C ATOM 1338 CD2 TYR A 87 7.077 -1.122 -6.347 1.00 0.00 C ATOM 1339 CE1 TYR A 87 7.945 0.456 -4.215 1.00 0.00 C ATOM 1340 CE2 TYR A 87 8.159 -1.550 -5.498 1.00 0.00 C ATOM 1341 CZ TYR A 87 8.539 -0.739 -4.474 1.00 0.00 C ATOM 1342 OH TYR A 87 9.561 -1.143 -3.672 1.00 0.00 O ATOM 0 H TYR A 87 3.621 1.761 -8.244 1.00 0.00 H new ATOM 0 HA TYR A 87 6.444 2.298 -7.658 1.00 0.00 H new ATOM 0 HB2 TYR A 87 4.502 0.939 -6.391 1.00 0.00 H new ATOM 0 HB3 TYR A 87 4.900 -0.326 -7.537 1.00 0.00 H new ATOM 0 HD1 TYR A 87 6.374 1.829 -4.880 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.755 -1.746 -7.167 1.00 0.00 H new ATOM 0 HE1 TYR A 87 8.277 1.071 -3.391 1.00 0.00 H new ATOM 0 HE2 TYR A 87 8.657 -2.493 -5.670 1.00 0.00 H new ATOM 0 HH TYR A 87 9.889 -2.016 -3.974 1.00 0.00 H new ATOM 1352 N VAL A 88 7.607 1.107 -9.436 1.00 0.00 N ATOM 1353 CA VAL A 88 8.317 0.508 -10.553 1.00 0.00 C ATOM 1354 C VAL A 88 8.769 -0.902 -10.168 1.00 0.00 C ATOM 1355 O VAL A 88 8.945 -1.200 -8.987 1.00 0.00 O ATOM 1356 CB VAL A 88 9.475 1.411 -10.982 1.00 0.00 C ATOM 1357 CG1 VAL A 88 10.453 0.656 -11.885 1.00 0.00 C ATOM 1358 CG2 VAL A 88 8.958 2.676 -11.671 1.00 0.00 C ATOM 0 H VAL A 88 8.186 1.678 -8.820 1.00 0.00 H new ATOM 0 HA VAL A 88 7.659 0.414 -11.417 1.00 0.00 H new ATOM 0 HB VAL A 88 10.013 1.715 -10.084 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.267 1.320 -12.176 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.859 -0.200 -11.346 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.931 0.309 -12.777 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.801 3.300 -11.966 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.384 2.400 -12.556 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.320 3.230 -10.983 1.00 0.00 H new ATOM 1368 N VAL A 89 8.944 -1.732 -11.186 1.00 0.00 N ATOM 1369 CA VAL A 89 9.373 -3.103 -10.968 1.00 0.00 C ATOM 1370 C VAL A 89 10.598 -3.394 -11.836 1.00 0.00 C ATOM 1371 O VAL A 89 10.550 -3.239 -13.056 1.00 0.00 O ATOM 1372 CB VAL A 89 8.211 -4.063 -11.233 1.00 0.00 C ATOM 1373 CG1 VAL A 89 8.620 -5.510 -10.952 1.00 0.00 C ATOM 1374 CG2 VAL A 89 6.979 -3.672 -10.414 1.00 0.00 C ATOM 0 H VAL A 89 8.797 -1.481 -12.164 1.00 0.00 H new ATOM 0 HA VAL A 89 9.669 -3.250 -9.929 1.00 0.00 H new ATOM 0 HB VAL A 89 7.949 -3.988 -12.288 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.776 -6.171 -11.148 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.454 -5.784 -11.598 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.922 -5.607 -9.909 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.168 -4.370 -10.621 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.223 -3.704 -9.352 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.667 -2.663 -10.685 1.00 0.00 H new ATOM 1384 N ASP A 90 11.668 -3.810 -11.174 1.00 0.00 N ATOM 1385 CA ASP A 90 12.904 -4.123 -11.871 1.00 0.00 C ATOM 1386 C ASP A 90 13.826 -4.909 -10.936 1.00 0.00 C ATOM 1387 O ASP A 90 13.431 -5.270 -9.828 1.00 0.00 O ATOM 1388 CB ASP A 90 13.636 -2.848 -12.294 1.00 0.00 C ATOM 1389 CG ASP A 90 12.874 -1.964 -13.283 1.00 0.00 C ATOM 1390 OD1 ASP A 90 12.725 -2.406 -14.442 1.00 0.00 O ATOM 1391 OD2 ASP A 90 12.459 -0.864 -12.857 1.00 0.00 O ATOM 0 H ASP A 90 11.704 -3.938 -10.163 1.00 0.00 H new ATOM 0 HA ASP A 90 12.653 -4.706 -12.757 1.00 0.00 H new ATOM 0 HB2 ASP A 90 13.859 -2.262 -11.402 1.00 0.00 H new ATOM 0 HB3 ASP A 90 14.591 -3.126 -12.739 1.00 0.00 H new ATOM 1396 N PHE A 91 15.037 -5.150 -11.416 1.00 0.00 N ATOM 1397 CA PHE A 91 16.018 -5.887 -10.637 1.00 0.00 C ATOM 1398 C PHE A 91 15.347 -6.979 -9.802 1.00 0.00 C ATOM 1399 O PHE A 91 14.420 -7.640 -10.267 1.00 0.00 O ATOM 1400 CB PHE A 91 16.688 -4.882 -9.697 1.00 0.00 C ATOM 1401 CG PHE A 91 18.132 -5.237 -9.335 1.00 0.00 C ATOM 1402 CD1 PHE A 91 19.030 -5.519 -10.317 1.00 0.00 C ATOM 1403 CD2 PHE A 91 18.517 -5.269 -8.031 1.00 0.00 C ATOM 1404 CE1 PHE A 91 20.369 -5.847 -9.981 1.00 0.00 C ATOM 1405 CE2 PHE A 91 19.857 -5.598 -7.695 1.00 0.00 C ATOM 1406 CZ PHE A 91 20.755 -5.880 -8.677 1.00 0.00 C ATOM 0 H PHE A 91 15.361 -4.848 -12.335 1.00 0.00 H new ATOM 0 HA PHE A 91 16.737 -6.366 -11.301 1.00 0.00 H new ATOM 0 HB2 PHE A 91 16.673 -3.897 -10.164 1.00 0.00 H new ATOM 0 HB3 PHE A 91 16.102 -4.810 -8.781 1.00 0.00 H new ATOM 0 HD1 PHE A 91 18.724 -5.493 -11.352 1.00 0.00 H new ATOM 0 HD2 PHE A 91 17.804 -5.044 -7.251 1.00 0.00 H new ATOM 0 HE1 PHE A 91 21.082 -6.071 -10.761 1.00 0.00 H new ATOM 0 HE2 PHE A 91 20.163 -5.624 -6.660 1.00 0.00 H new ATOM 0 HZ PHE A 91 21.774 -6.130 -8.421 1.00 0.00 H new ATOM 1416 N MET A 92 15.841 -7.135 -8.583 1.00 0.00 N ATOM 1417 CA MET A 92 15.301 -8.136 -7.678 1.00 0.00 C ATOM 1418 C MET A 92 14.256 -7.524 -6.744 1.00 0.00 C ATOM 1419 O MET A 92 14.054 -8.006 -5.631 1.00 0.00 O ATOM 1420 CB MET A 92 16.436 -8.740 -6.849 1.00 0.00 C ATOM 1421 CG MET A 92 16.765 -10.158 -7.320 1.00 0.00 C ATOM 1422 SD MET A 92 18.039 -10.105 -8.570 1.00 0.00 S ATOM 1423 CE MET A 92 18.967 -11.564 -8.129 1.00 0.00 C ATOM 0 H MET A 92 16.610 -6.585 -8.200 1.00 0.00 H new ATOM 0 HA MET A 92 14.819 -8.913 -8.271 1.00 0.00 H new ATOM 0 HB2 MET A 92 17.323 -8.112 -6.928 1.00 0.00 H new ATOM 0 HB3 MET A 92 16.152 -8.759 -5.797 1.00 0.00 H new ATOM 0 HG2 MET A 92 17.097 -10.763 -6.476 1.00 0.00 H new ATOM 0 HG3 MET A 92 15.870 -10.634 -7.721 1.00 0.00 H new ATOM 0 HE1 MET A 92 19.806 -11.682 -8.814 1.00 0.00 H new ATOM 0 HE2 MET A 92 19.342 -11.463 -7.110 1.00 0.00 H new ATOM 0 HE3 MET A 92 18.321 -12.439 -8.193 1.00 0.00 H new ATOM 1433 N GLY A 93 13.618 -6.469 -7.232 1.00 0.00 N ATOM 1434 CA GLY A 93 12.599 -5.786 -6.454 1.00 0.00 C ATOM 1435 C GLY A 93 11.867 -4.745 -7.304 1.00 0.00 C ATOM 1436 O GLY A 93 11.127 -5.096 -8.221 1.00 0.00 O ATOM 0 H GLY A 93 13.787 -6.071 -8.156 1.00 0.00 H new ATOM 0 HA2 GLY A 93 11.884 -6.512 -6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 93 13.058 -5.300 -5.593 1.00 0.00 H new ATOM 1440 N GLY A 94 12.100 -3.484 -6.968 1.00 0.00 N ATOM 1441 CA GLY A 94 11.473 -2.390 -7.688 1.00 0.00 C ATOM 1442 C GLY A 94 11.886 -1.039 -7.101 1.00 0.00 C ATOM 1443 O GLY A 94 12.825 -0.963 -6.309 1.00 0.00 O ATOM 0 H GLY A 94 12.715 -3.197 -6.206 1.00 0.00 H new ATOM 0 HA2 GLY A 94 11.754 -2.434 -8.740 1.00 0.00 H new ATOM 0 HA3 GLY A 94 10.389 -2.494 -7.643 1.00 0.00 H new ATOM 1447 N GLY A 95 11.164 -0.006 -7.511 1.00 0.00 N ATOM 1448 CA GLY A 95 11.444 1.338 -7.035 1.00 0.00 C ATOM 1449 C GLY A 95 10.150 2.076 -6.684 1.00 0.00 C ATOM 1450 O GLY A 95 9.076 1.476 -6.660 1.00 0.00 O ATOM 0 H GLY A 95 10.386 -0.073 -8.167 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.089 1.290 -6.158 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.987 1.893 -7.800 1.00 0.00 H new ATOM 1454 N PHE A 96 10.295 3.367 -6.422 1.00 0.00 N ATOM 1455 CA PHE A 96 9.151 4.192 -6.074 1.00 0.00 C ATOM 1456 C PHE A 96 8.980 5.340 -7.071 1.00 0.00 C ATOM 1457 O PHE A 96 9.961 5.947 -7.498 1.00 0.00 O ATOM 1458 CB PHE A 96 9.426 4.775 -4.686 1.00 0.00 C ATOM 1459 CG PHE A 96 10.909 5.000 -4.388 1.00 0.00 C ATOM 1460 CD1 PHE A 96 11.585 5.999 -5.016 1.00 0.00 C ATOM 1461 CD2 PHE A 96 11.552 4.201 -3.494 1.00 0.00 C ATOM 1462 CE1 PHE A 96 12.962 6.208 -4.739 1.00 0.00 C ATOM 1463 CE2 PHE A 96 12.929 4.410 -3.218 1.00 0.00 C ATOM 1464 CZ PHE A 96 13.605 5.409 -3.846 1.00 0.00 C ATOM 0 H PHE A 96 11.187 3.861 -6.444 1.00 0.00 H new ATOM 0 HA PHE A 96 8.241 3.593 -6.091 1.00 0.00 H new ATOM 0 HB2 PHE A 96 8.899 5.724 -4.591 1.00 0.00 H new ATOM 0 HB3 PHE A 96 9.012 4.104 -3.933 1.00 0.00 H new ATOM 0 HD1 PHE A 96 11.075 6.633 -5.725 1.00 0.00 H new ATOM 0 HD2 PHE A 96 11.015 3.408 -2.994 1.00 0.00 H new ATOM 0 HE1 PHE A 96 13.499 7.002 -5.238 1.00 0.00 H new ATOM 0 HE2 PHE A 96 13.440 3.775 -2.509 1.00 0.00 H new ATOM 0 HZ PHE A 96 14.652 5.568 -3.636 1.00 0.00 H new ATOM 1474 N THR A 97 7.727 5.603 -7.412 1.00 0.00 N ATOM 1475 CA THR A 97 7.415 6.668 -8.351 1.00 0.00 C ATOM 1476 C THR A 97 5.971 7.137 -8.164 1.00 0.00 C ATOM 1477 O THR A 97 5.085 6.333 -7.879 1.00 0.00 O ATOM 1478 CB THR A 97 7.710 6.155 -9.762 1.00 0.00 C ATOM 1479 OG1 THR A 97 9.126 6.260 -9.881 1.00 0.00 O ATOM 1480 CG2 THR A 97 7.174 7.090 -10.848 1.00 0.00 C ATOM 0 H THR A 97 6.916 5.097 -7.055 1.00 0.00 H new ATOM 0 HA THR A 97 8.035 7.547 -8.173 1.00 0.00 H new ATOM 0 HB THR A 97 7.272 5.165 -9.887 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.512 6.488 -9.009 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.410 6.680 -11.830 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.093 7.186 -10.745 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.637 8.071 -10.744 1.00 0.00 H new ATOM 1488 N ILE A 98 5.779 8.437 -8.332 1.00 0.00 N ATOM 1489 CA ILE A 98 4.457 9.023 -8.185 1.00 0.00 C ATOM 1490 C ILE A 98 4.228 10.040 -9.305 1.00 0.00 C ATOM 1491 O ILE A 98 5.159 10.725 -9.726 1.00 0.00 O ATOM 1492 CB ILE A 98 4.282 9.605 -6.781 1.00 0.00 C ATOM 1493 CG1 ILE A 98 2.891 10.218 -6.612 1.00 0.00 C ATOM 1494 CG2 ILE A 98 5.393 10.606 -6.459 1.00 0.00 C ATOM 1495 CD1 ILE A 98 2.209 9.691 -5.347 1.00 0.00 C ATOM 0 H ILE A 98 6.516 9.101 -8.568 1.00 0.00 H new ATOM 0 HA ILE A 98 3.687 8.258 -8.286 1.00 0.00 H new ATOM 0 HB ILE A 98 4.365 8.791 -6.061 1.00 0.00 H new ATOM 0 HG12 ILE A 98 2.972 11.304 -6.560 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.279 9.985 -7.483 1.00 0.00 H new ATOM 0 HG21 ILE A 98 5.244 11.004 -5.455 1.00 0.00 H new ATOM 0 HG22 ILE A 98 6.360 10.106 -6.511 1.00 0.00 H new ATOM 0 HG23 ILE A 98 5.368 11.422 -7.181 1.00 0.00 H new ATOM 0 HD11 ILE A 98 1.222 10.143 -5.251 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.108 8.608 -5.413 1.00 0.00 H new ATOM 0 HD13 ILE A 98 2.811 9.947 -4.475 1.00 0.00 H new ATOM 1507 N ARG A 99 2.984 10.107 -9.755 1.00 0.00 N ATOM 1508 CA ARG A 99 2.621 11.029 -10.818 1.00 0.00 C ATOM 1509 C ARG A 99 1.573 12.027 -10.320 1.00 0.00 C ATOM 1510 O ARG A 99 0.390 11.701 -10.240 1.00 0.00 O ATOM 1511 CB ARG A 99 2.066 10.280 -12.031 1.00 0.00 C ATOM 1512 CG ARG A 99 2.740 10.751 -13.321 1.00 0.00 C ATOM 1513 CD ARG A 99 1.860 10.457 -14.538 1.00 0.00 C ATOM 1514 NE ARG A 99 1.751 11.664 -15.388 1.00 0.00 N ATOM 1515 CZ ARG A 99 0.858 12.643 -15.191 1.00 0.00 C ATOM 1516 NH1 ARG A 99 -0.009 12.564 -14.172 1.00 0.00 N ATOM 1517 NH2 ARG A 99 0.832 13.701 -16.012 1.00 0.00 N ATOM 0 H ARG A 99 2.214 9.538 -9.403 1.00 0.00 H new ATOM 0 HA ARG A 99 3.523 11.563 -11.117 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.223 9.209 -11.905 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.990 10.439 -12.100 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.939 11.821 -13.262 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.703 10.253 -13.435 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.284 9.634 -15.113 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.869 10.141 -14.213 1.00 0.00 H new ATOM 0 HE ARG A 99 2.396 11.756 -16.173 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.011 11.759 -13.547 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.689 13.309 -14.022 1.00 0.00 H new ATOM 0 HH21 ARG A 99 1.492 13.761 -16.787 1.00 0.00 H new ATOM 0 HH22 ARG A 99 0.152 14.446 -15.862 1.00 0.00 H new ATOM 1531 N ASN A 100 2.046 13.222 -9.999 1.00 0.00 N ATOM 1532 CA ASN A 100 1.165 14.269 -9.511 1.00 0.00 C ATOM 1533 C ASN A 100 0.327 14.807 -10.673 1.00 0.00 C ATOM 1534 O ASN A 100 0.861 15.117 -11.736 1.00 0.00 O ATOM 1535 CB ASN A 100 1.965 15.434 -8.926 1.00 0.00 C ATOM 1536 CG ASN A 100 2.388 15.140 -7.485 1.00 0.00 C ATOM 1537 OD1 ASN A 100 3.486 14.682 -7.214 1.00 0.00 O ATOM 1538 ND2 ASN A 100 1.458 15.428 -6.579 1.00 0.00 N ATOM 0 H ASN A 100 3.028 13.488 -10.067 1.00 0.00 H new ATOM 0 HA ASN A 100 0.531 13.841 -8.734 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.848 15.617 -9.538 1.00 0.00 H new ATOM 0 HB3 ASN A 100 1.364 16.343 -8.954 1.00 0.00 H new ATOM 0 HD21 ASN A 100 1.644 15.268 -5.589 1.00 0.00 H new ATOM 0 HD22 ASN A 100 0.559 15.809 -6.874 1.00 0.00 H new ATOM 1545 N PRO A 101 -1.006 14.904 -10.423 1.00 0.00 N ATOM 1546 CA PRO A 101 -1.923 15.400 -11.436 1.00 0.00 C ATOM 1547 C PRO A 101 -1.805 16.918 -11.587 1.00 0.00 C ATOM 1548 O PRO A 101 -2.701 17.657 -11.181 1.00 0.00 O ATOM 1549 CB PRO A 101 -3.300 14.954 -10.972 1.00 0.00 C ATOM 1550 CG PRO A 101 -3.158 14.633 -9.493 1.00 0.00 C ATOM 1551 CD PRO A 101 -1.674 14.547 -9.175 1.00 0.00 C ATOM 0 HA PRO A 101 -1.705 15.007 -12.429 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -4.039 15.739 -11.132 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -3.636 14.081 -11.531 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -3.634 15.404 -8.888 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -3.654 13.691 -9.257 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -1.401 15.230 -8.370 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -1.396 13.544 -8.850 1.00 0.00 H new TER 1559 PRO A 101