USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 757 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 51 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 55 GLN : amide:sc= -9.35! C(o=-9.3!,f=-13!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0.133 K(o=0.13,f=-1.6) USER MOD Single : A 8 LYS NZ :NH3+ 172:sc= -0.0205 (180deg=-0.163) USER MOD Single : A 12 SER OG : rot -13:sc= 0.791 USER MOD Single : A 16 LYS NZ :NH3+ 146:sc= -0.575 (180deg=-1.08) USER MOD Single : A 19 SER OG : rot 160:sc= -1.09 USER MOD Single : A 23 ASN : amide:sc= -0.53 X(o=-0.53,f=-0.22) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -8.42! C(o=-8.4!,f=-8.5!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 33 SER OG : rot -73:sc= 1.21 USER MOD Single : A 37 MET CE :methyl 159:sc= -0.479 (180deg=-1.56!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -110:sc= -0.0606 (180deg=-2.43!) USER MOD Single : A 46 ASN : amide:sc= -0.142 K(o=-0.14,f=-2.1!) USER MOD Single : A 48 TYR OH : rot 14:sc= -0.234 USER MOD Single : A 50 ASN : amide:sc= -0.0511 K(o=-0.051,f=-0.61) USER MOD Single : A 52 TYR OH : rot 126:sc= -2.21! USER MOD Single : A 54 GLN : amide:sc= 0.0597 X(o=0.06,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.512 K(o=-0.51,f=-0.0077) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -0.0051 X(o=-0.0051,f=-0.0051) USER MOD Single : A 75 ASN : amide:sc= 1.09 K(o=1.1,f=-0.2) USER MOD Single : A 76 THR OG1 : rot -81:sc= 1.26 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 30:sc= -1.78! USER MOD Single : A 90 LYS NZ :NH3+ 151:sc= -0.0406 (180deg=-0.442) USER MOD Single : A 91 SER OG : rot -30:sc= 0.304 USER MOD Single : A 92 HIS : no HE2:sc= -4.57! C(o=-4.6!,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 3 5.279 30.945 -1.146 1.00 0.00 N ATOM 2 CA LEU A 3 6.032 29.722 -0.762 1.00 0.00 C ATOM 3 C LEU A 3 5.179 28.471 -0.946 1.00 0.00 C ATOM 4 O LEU A 3 4.258 28.216 -0.172 1.00 0.00 O ATOM 5 CB LEU A 3 6.467 29.855 0.701 1.00 0.00 C ATOM 6 CG LEU A 3 5.357 30.260 1.673 1.00 0.00 C ATOM 7 CD1 LEU A 3 5.596 29.639 3.041 1.00 0.00 C ATOM 8 CD2 LEU A 3 5.269 31.775 1.782 1.00 0.00 C ATOM 0 HA LEU A 3 6.906 29.622 -1.406 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.885 28.903 1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.268 30.592 0.760 1.00 0.00 H new ATOM 0 HG LEU A 3 4.408 29.888 1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.797 29.937 3.720 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.609 28.553 2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.553 29.982 3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.474 32.044 2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.218 32.169 2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.052 32.198 0.801 1.00 0.00 H new ATOM 22 N LEU A 4 5.494 27.695 -1.979 1.00 0.00 N ATOM 23 CA LEU A 4 4.755 26.471 -2.266 1.00 0.00 C ATOM 24 C LEU A 4 5.628 25.233 -2.068 1.00 0.00 C ATOM 25 O LEU A 4 5.117 24.122 -1.926 1.00 0.00 O ATOM 26 CB LEU A 4 4.207 26.501 -3.695 1.00 0.00 C ATOM 27 CG LEU A 4 5.257 26.687 -4.791 1.00 0.00 C ATOM 28 CD1 LEU A 4 5.889 25.353 -5.157 1.00 0.00 C ATOM 29 CD2 LEU A 4 4.634 27.337 -6.018 1.00 0.00 C ATOM 0 H LEU A 4 6.254 27.892 -2.630 1.00 0.00 H new ATOM 0 HA LEU A 4 3.923 26.415 -1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.671 25.570 -3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.479 27.308 -3.771 1.00 0.00 H new ATOM 0 HG LEU A 4 6.039 27.344 -4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 4 6.634 25.505 -5.938 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.369 24.924 -4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.118 24.672 -5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.394 27.462 -6.789 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.833 26.703 -6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.228 28.312 -5.747 1.00 0.00 H new ATOM 41 N LYS A 5 6.947 25.426 -2.057 1.00 0.00 N ATOM 42 CA LYS A 5 7.881 24.317 -1.873 1.00 0.00 C ATOM 43 C LYS A 5 7.506 23.493 -0.646 1.00 0.00 C ATOM 44 O LYS A 5 7.590 22.265 -0.658 1.00 0.00 O ATOM 45 CB LYS A 5 9.310 24.843 -1.734 1.00 0.00 C ATOM 46 CG LYS A 5 10.357 23.745 -1.656 1.00 0.00 C ATOM 47 CD LYS A 5 11.748 24.278 -1.960 1.00 0.00 C ATOM 48 CE LYS A 5 12.174 25.336 -0.955 1.00 0.00 C ATOM 49 NZ LYS A 5 13.429 24.956 -0.247 1.00 0.00 N ATOM 0 H LYS A 5 7.391 26.337 -2.173 1.00 0.00 H new ATOM 0 HA LYS A 5 7.824 23.675 -2.752 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.535 25.488 -2.583 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.376 25.460 -0.838 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.346 23.301 -0.661 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.108 22.953 -2.362 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.464 23.456 -1.949 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.764 24.702 -2.964 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.320 26.286 -1.468 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.377 25.486 -0.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.686 25.703 0.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.282 24.062 0.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.196 24.837 -0.939 1.00 0.00 H new ATOM 63 N ALA A 6 7.086 24.183 0.409 1.00 0.00 N ATOM 64 CA ALA A 6 6.687 23.524 1.647 1.00 0.00 C ATOM 65 C ALA A 6 5.602 22.484 1.381 1.00 0.00 C ATOM 66 O ALA A 6 5.657 21.360 1.889 1.00 0.00 O ATOM 67 CB ALA A 6 6.202 24.551 2.659 1.00 0.00 C ATOM 0 H ALA A 6 7.013 25.200 0.431 1.00 0.00 H new ATOM 0 HA ALA A 6 7.556 23.011 2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.907 24.045 3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.004 25.257 2.874 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.346 25.088 2.250 1.00 0.00 H new ATOM 73 N ASN A 7 4.624 22.860 0.566 1.00 0.00 N ATOM 74 CA ASN A 7 3.537 21.956 0.220 1.00 0.00 C ATOM 75 C ASN A 7 4.068 20.771 -0.575 1.00 0.00 C ATOM 76 O ASN A 7 3.685 19.626 -0.331 1.00 0.00 O ATOM 77 CB ASN A 7 2.465 22.692 -0.586 1.00 0.00 C ATOM 78 CG ASN A 7 1.463 23.403 0.302 1.00 0.00 C ATOM 79 OD1 ASN A 7 0.446 22.831 0.694 1.00 0.00 O ATOM 80 ND2 ASN A 7 1.746 24.659 0.625 1.00 0.00 N ATOM 0 H ASN A 7 4.562 23.782 0.134 1.00 0.00 H new ATOM 0 HA ASN A 7 3.088 21.588 1.142 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.943 23.418 -1.244 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.941 21.980 -1.224 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.109 25.188 1.220 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.600 25.095 0.278 1.00 0.00 H new ATOM 87 N LYS A 8 4.957 21.051 -1.525 1.00 0.00 N ATOM 88 CA LYS A 8 5.543 20.007 -2.354 1.00 0.00 C ATOM 89 C LYS A 8 6.400 19.062 -1.521 1.00 0.00 C ATOM 90 O LYS A 8 6.425 17.857 -1.767 1.00 0.00 O ATOM 91 CB LYS A 8 6.384 20.624 -3.472 1.00 0.00 C ATOM 92 CG LYS A 8 6.265 19.890 -4.799 1.00 0.00 C ATOM 93 CD LYS A 8 6.087 20.856 -5.959 1.00 0.00 C ATOM 94 CE LYS A 8 6.170 20.143 -7.298 1.00 0.00 C ATOM 95 NZ LYS A 8 5.198 19.018 -7.389 1.00 0.00 N ATOM 0 H LYS A 8 5.286 21.993 -1.738 1.00 0.00 H new ATOM 0 HA LYS A 8 4.728 19.433 -2.796 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.082 21.662 -3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.430 20.635 -3.165 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.157 19.285 -4.962 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.418 19.205 -4.762 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.123 21.357 -5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.853 21.630 -5.910 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.978 20.855 -8.101 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.181 19.762 -7.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.189 18.644 -8.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.478 18.264 -6.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.247 19.360 -7.141 1.00 0.00 H new ATOM 109 N ASP A 9 7.100 19.612 -0.534 1.00 0.00 N ATOM 110 CA ASP A 9 7.952 18.803 0.328 1.00 0.00 C ATOM 111 C ASP A 9 7.110 17.810 1.121 1.00 0.00 C ATOM 112 O ASP A 9 7.451 16.631 1.220 1.00 0.00 O ATOM 113 CB ASP A 9 8.790 19.695 1.260 1.00 0.00 C ATOM 114 CG ASP A 9 8.189 19.865 2.646 1.00 0.00 C ATOM 115 OD1 ASP A 9 8.133 18.867 3.397 1.00 0.00 O ATOM 116 OD2 ASP A 9 7.783 20.998 2.982 1.00 0.00 O ATOM 0 H ASP A 9 7.094 20.608 -0.313 1.00 0.00 H new ATOM 0 HA ASP A 9 8.644 18.238 -0.296 1.00 0.00 H new ATOM 0 HB2 ASP A 9 9.788 19.268 1.356 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.906 20.677 0.801 1.00 0.00 H new ATOM 121 N LEU A 10 5.995 18.288 1.667 1.00 0.00 N ATOM 122 CA LEU A 10 5.099 17.425 2.427 1.00 0.00 C ATOM 123 C LEU A 10 4.574 16.310 1.533 1.00 0.00 C ATOM 124 O LEU A 10 4.568 15.135 1.914 1.00 0.00 O ATOM 125 CB LEU A 10 3.932 18.231 2.998 1.00 0.00 C ATOM 126 CG LEU A 10 3.212 17.580 4.179 1.00 0.00 C ATOM 127 CD1 LEU A 10 3.878 17.974 5.489 1.00 0.00 C ATOM 128 CD2 LEU A 10 1.739 17.969 4.183 1.00 0.00 C ATOM 0 H LEU A 10 5.693 19.260 1.598 1.00 0.00 H new ATOM 0 HA LEU A 10 5.656 16.989 3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.303 19.207 3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.208 18.406 2.202 1.00 0.00 H new ATOM 0 HG LEU A 10 3.279 16.497 4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.354 17.502 6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.917 17.645 5.482 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.841 19.057 5.605 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.240 17.497 5.030 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.649 19.052 4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.272 17.636 3.256 1.00 0.00 H new ATOM 140 N ILE A 11 4.150 16.684 0.328 1.00 0.00 N ATOM 141 CA ILE A 11 3.644 15.715 -0.628 1.00 0.00 C ATOM 142 C ILE A 11 4.725 14.694 -0.957 1.00 0.00 C ATOM 143 O ILE A 11 4.509 13.492 -0.832 1.00 0.00 O ATOM 144 CB ILE A 11 3.168 16.393 -1.929 1.00 0.00 C ATOM 145 CG1 ILE A 11 2.145 17.486 -1.612 1.00 0.00 C ATOM 146 CG2 ILE A 11 2.573 15.364 -2.879 1.00 0.00 C ATOM 147 CD1 ILE A 11 2.169 18.640 -2.590 1.00 0.00 C ATOM 0 H ILE A 11 4.148 17.648 -0.004 1.00 0.00 H new ATOM 0 HA ILE A 11 2.789 15.217 -0.170 1.00 0.00 H new ATOM 0 HB ILE A 11 4.027 16.853 -2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.147 17.047 -1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.332 17.867 -0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.242 15.860 -3.792 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.327 14.617 -3.125 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.722 14.877 -2.402 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.418 19.376 -2.303 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.155 19.105 -2.580 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.951 18.272 -3.593 1.00 0.00 H new ATOM 159 N SER A 12 5.894 15.181 -1.369 1.00 0.00 N ATOM 160 CA SER A 12 7.012 14.307 -1.704 1.00 0.00 C ATOM 161 C SER A 12 7.326 13.368 -0.545 1.00 0.00 C ATOM 162 O SER A 12 7.755 12.238 -0.752 1.00 0.00 O ATOM 163 CB SER A 12 8.248 15.137 -2.055 1.00 0.00 C ATOM 164 OG SER A 12 8.651 15.941 -0.960 1.00 0.00 O ATOM 0 H SER A 12 6.090 16.176 -1.478 1.00 0.00 H new ATOM 0 HA SER A 12 6.730 13.708 -2.570 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.064 14.475 -2.344 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.032 15.771 -2.915 1.00 0.00 H new ATOM 0 HG SER A 12 7.938 15.959 -0.288 1.00 0.00 H new ATOM 170 N ALA A 13 7.121 13.852 0.673 1.00 0.00 N ATOM 171 CA ALA A 13 7.390 13.049 1.861 1.00 0.00 C ATOM 172 C ALA A 13 6.408 11.889 1.962 1.00 0.00 C ATOM 173 O ALA A 13 6.800 10.759 2.254 1.00 0.00 O ATOM 174 CB ALA A 13 7.350 13.907 3.115 1.00 0.00 C ATOM 0 H ALA A 13 6.771 14.791 0.865 1.00 0.00 H new ATOM 0 HA ALA A 13 8.394 12.634 1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.553 13.286 3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.104 14.691 3.044 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.364 14.360 3.214 1.00 0.00 H new ATOM 180 N GLY A 14 5.144 12.157 1.665 1.00 0.00 N ATOM 181 CA GLY A 14 4.157 11.091 1.678 1.00 0.00 C ATOM 182 C GLY A 14 4.415 10.164 0.514 1.00 0.00 C ATOM 183 O GLY A 14 4.372 8.944 0.637 1.00 0.00 O ATOM 0 H GLY A 14 4.786 13.080 1.418 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.211 10.540 2.617 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.152 11.508 1.611 1.00 0.00 H new ATOM 187 N LEU A 15 4.707 10.791 -0.614 1.00 0.00 N ATOM 188 CA LEU A 15 5.013 10.073 -1.839 1.00 0.00 C ATOM 189 C LEU A 15 6.144 9.089 -1.574 1.00 0.00 C ATOM 190 O LEU A 15 5.993 7.884 -1.765 1.00 0.00 O ATOM 191 CB LEU A 15 5.392 11.043 -2.955 1.00 0.00 C ATOM 192 CG LEU A 15 4.317 11.257 -4.021 1.00 0.00 C ATOM 193 CD1 LEU A 15 4.009 9.952 -4.740 1.00 0.00 C ATOM 194 CD2 LEU A 15 3.056 11.834 -3.396 1.00 0.00 C ATOM 0 H LEU A 15 4.738 11.806 -0.706 1.00 0.00 H new ATOM 0 HA LEU A 15 4.128 9.525 -2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.637 12.007 -2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.296 10.678 -3.441 1.00 0.00 H new ATOM 0 HG LEU A 15 4.696 11.970 -4.754 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.242 10.125 -5.495 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.913 9.579 -5.221 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.651 9.216 -4.020 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.301 11.980 -4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.675 11.145 -2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.287 12.791 -2.929 1.00 0.00 H new ATOM 206 N LYS A 16 7.275 9.615 -1.123 1.00 0.00 N ATOM 207 CA LYS A 16 8.436 8.792 -0.815 1.00 0.00 C ATOM 208 C LYS A 16 8.099 7.779 0.276 1.00 0.00 C ATOM 209 O LYS A 16 8.668 6.689 0.324 1.00 0.00 O ATOM 210 CB LYS A 16 9.613 9.681 -0.390 1.00 0.00 C ATOM 211 CG LYS A 16 9.564 10.148 1.061 1.00 0.00 C ATOM 212 CD LYS A 16 10.740 9.611 1.865 1.00 0.00 C ATOM 213 CE LYS A 16 10.319 8.473 2.784 1.00 0.00 C ATOM 214 NZ LYS A 16 10.895 7.170 2.351 1.00 0.00 N ATOM 0 H LYS A 16 7.413 10.613 -0.962 1.00 0.00 H new ATOM 0 HA LYS A 16 8.724 8.241 -1.710 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.542 9.133 -0.550 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.643 10.556 -1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.568 11.238 1.093 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.630 9.819 1.518 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.517 9.262 1.185 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.174 10.416 2.458 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.639 8.691 3.803 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.231 8.402 2.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.102 6.587 3.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.213 6.674 1.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.774 7.338 1.820 1.00 0.00 H new ATOM 228 N GLU A 17 7.165 8.150 1.143 1.00 0.00 N ATOM 229 CA GLU A 17 6.743 7.275 2.228 1.00 0.00 C ATOM 230 C GLU A 17 5.985 6.073 1.678 1.00 0.00 C ATOM 231 O GLU A 17 6.237 4.932 2.066 1.00 0.00 O ATOM 232 CB GLU A 17 5.866 8.039 3.221 1.00 0.00 C ATOM 233 CG GLU A 17 6.637 8.612 4.400 1.00 0.00 C ATOM 234 CD GLU A 17 6.258 7.963 5.718 1.00 0.00 C ATOM 235 OE1 GLU A 17 6.717 6.830 5.974 1.00 0.00 O ATOM 236 OE2 GLU A 17 5.503 8.588 6.491 1.00 0.00 O ATOM 0 H GLU A 17 6.686 9.050 1.115 1.00 0.00 H new ATOM 0 HA GLU A 17 7.633 6.920 2.748 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.363 8.852 2.698 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.090 7.372 3.595 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.705 8.480 4.229 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.454 9.685 4.462 1.00 0.00 H new ATOM 243 N PHE A 18 5.056 6.341 0.769 1.00 0.00 N ATOM 244 CA PHE A 18 4.256 5.288 0.160 1.00 0.00 C ATOM 245 C PHE A 18 5.095 4.460 -0.805 1.00 0.00 C ATOM 246 O PHE A 18 5.056 3.233 -0.771 1.00 0.00 O ATOM 247 CB PHE A 18 3.047 5.888 -0.566 1.00 0.00 C ATOM 248 CG PHE A 18 1.787 5.066 -0.456 1.00 0.00 C ATOM 249 CD1 PHE A 18 1.480 4.371 0.707 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.903 4.996 -1.523 1.00 0.00 C ATOM 251 CE1 PHE A 18 0.318 3.625 0.801 1.00 0.00 C ATOM 252 CE2 PHE A 18 -0.258 4.250 -1.432 1.00 0.00 C ATOM 253 CZ PHE A 18 -0.550 3.567 -0.270 1.00 0.00 C ATOM 0 H PHE A 18 4.838 7.281 0.437 1.00 0.00 H new ATOM 0 HA PHE A 18 3.898 4.631 0.952 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.854 6.883 -0.165 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.295 6.012 -1.620 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.156 4.413 1.548 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.124 5.530 -2.435 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.091 3.089 1.711 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.936 4.202 -2.271 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.458 2.987 -0.198 1.00 0.00 H new ATOM 263 N SER A 19 5.866 5.130 -1.658 1.00 0.00 N ATOM 264 CA SER A 19 6.713 4.431 -2.618 1.00 0.00 C ATOM 265 C SER A 19 7.634 3.453 -1.899 1.00 0.00 C ATOM 266 O SER A 19 7.696 2.270 -2.241 1.00 0.00 O ATOM 267 CB SER A 19 7.538 5.429 -3.432 1.00 0.00 C ATOM 268 OG SER A 19 8.366 6.214 -2.592 1.00 0.00 O ATOM 0 H SER A 19 5.921 6.147 -1.704 1.00 0.00 H new ATOM 0 HA SER A 19 6.071 3.873 -3.299 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.153 4.893 -4.155 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.872 6.078 -4.000 1.00 0.00 H new ATOM 0 HG SER A 19 9.095 6.602 -3.121 1.00 0.00 H new ATOM 274 N VAL A 20 8.338 3.952 -0.891 1.00 0.00 N ATOM 275 CA VAL A 20 9.244 3.119 -0.117 1.00 0.00 C ATOM 276 C VAL A 20 8.465 2.081 0.684 1.00 0.00 C ATOM 277 O VAL A 20 8.957 0.981 0.924 1.00 0.00 O ATOM 278 CB VAL A 20 10.116 3.965 0.835 1.00 0.00 C ATOM 279 CG1 VAL A 20 10.959 3.075 1.739 1.00 0.00 C ATOM 280 CG2 VAL A 20 11.003 4.910 0.038 1.00 0.00 C ATOM 0 H VAL A 20 8.298 4.926 -0.592 1.00 0.00 H new ATOM 0 HA VAL A 20 9.902 2.610 -0.822 1.00 0.00 H new ATOM 0 HB VAL A 20 9.455 4.557 1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.564 3.696 2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.305 2.440 2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.612 2.451 1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.613 5.501 0.722 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.652 4.332 -0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.381 5.576 -0.560 1.00 0.00 H new ATOM 290 N LEU A 21 7.246 2.429 1.091 1.00 0.00 N ATOM 291 CA LEU A 21 6.418 1.504 1.855 1.00 0.00 C ATOM 292 C LEU A 21 6.072 0.282 1.008 1.00 0.00 C ATOM 293 O LEU A 21 6.179 -0.855 1.466 1.00 0.00 O ATOM 294 CB LEU A 21 5.138 2.206 2.319 1.00 0.00 C ATOM 295 CG LEU A 21 4.068 1.291 2.920 1.00 0.00 C ATOM 296 CD1 LEU A 21 4.457 0.868 4.327 1.00 0.00 C ATOM 297 CD2 LEU A 21 2.715 1.987 2.924 1.00 0.00 C ATOM 0 H LEU A 21 6.815 3.335 0.906 1.00 0.00 H new ATOM 0 HA LEU A 21 6.976 1.174 2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.405 2.960 3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.705 2.734 1.469 1.00 0.00 H new ATOM 0 HG LEU A 21 3.992 0.396 2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.685 0.218 4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.405 0.331 4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.561 1.751 4.957 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.965 1.323 3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.776 2.899 3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.432 2.239 1.902 1.00 0.00 H new ATOM 309 N LEU A 22 5.659 0.530 -0.230 1.00 0.00 N ATOM 310 CA LEU A 22 5.303 -0.551 -1.143 1.00 0.00 C ATOM 311 C LEU A 22 6.534 -1.377 -1.487 1.00 0.00 C ATOM 312 O LEU A 22 6.459 -2.597 -1.631 1.00 0.00 O ATOM 313 CB LEU A 22 4.666 0.005 -2.422 1.00 0.00 C ATOM 314 CG LEU A 22 3.588 1.068 -2.200 1.00 0.00 C ATOM 315 CD1 LEU A 22 3.384 1.894 -3.460 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.282 0.424 -1.764 1.00 0.00 C ATOM 0 H LEU A 22 5.563 1.466 -0.624 1.00 0.00 H new ATOM 0 HA LEU A 22 4.574 -1.192 -0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.452 0.431 -3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.229 -0.822 -2.981 1.00 0.00 H new ATOM 0 HG LEU A 22 3.922 1.734 -1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.614 2.644 -3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.318 2.389 -3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.074 1.242 -4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.528 1.197 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.942 -0.267 -2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.438 -0.120 -0.832 1.00 0.00 H new ATOM 328 N ASN A 23 7.669 -0.700 -1.614 1.00 0.00 N ATOM 329 CA ASN A 23 8.926 -1.363 -1.937 1.00 0.00 C ATOM 330 C ASN A 23 9.582 -1.957 -0.686 1.00 0.00 C ATOM 331 O ASN A 23 10.472 -2.801 -0.791 1.00 0.00 O ATOM 332 CB ASN A 23 9.873 -0.373 -2.640 1.00 0.00 C ATOM 333 CG ASN A 23 11.238 -0.267 -1.979 1.00 0.00 C ATOM 334 OD1 ASN A 23 12.240 -0.740 -2.517 1.00 0.00 O ATOM 335 ND2 ASN A 23 11.281 0.355 -0.808 1.00 0.00 N ATOM 0 H ASN A 23 7.744 0.311 -1.498 1.00 0.00 H new ATOM 0 HA ASN A 23 8.716 -2.191 -2.615 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.003 -0.681 -3.677 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.408 0.613 -2.656 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.169 0.457 -0.317 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.426 0.732 -0.399 1.00 0.00 H new ATOM 342 N GLN A 24 9.156 -1.505 0.495 1.00 0.00 N ATOM 343 CA GLN A 24 9.735 -1.996 1.745 1.00 0.00 C ATOM 344 C GLN A 24 8.748 -2.832 2.557 1.00 0.00 C ATOM 345 O GLN A 24 9.065 -3.250 3.671 1.00 0.00 O ATOM 346 CB GLN A 24 10.255 -0.833 2.590 1.00 0.00 C ATOM 347 CG GLN A 24 11.430 -1.207 3.479 1.00 0.00 C ATOM 348 CD GLN A 24 12.565 -0.203 3.401 1.00 0.00 C ATOM 349 OE1 GLN A 24 13.612 -0.477 2.814 1.00 0.00 O ATOM 350 NE2 GLN A 24 12.362 0.968 3.994 1.00 0.00 N ATOM 0 H GLN A 24 8.421 -0.808 0.611 1.00 0.00 H new ATOM 0 HA GLN A 24 10.566 -2.646 1.473 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.554 -0.019 1.929 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.444 -0.456 3.213 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.089 -1.285 4.511 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.800 -2.191 3.191 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.479 1.153 4.469 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.089 1.683 3.974 1.00 0.00 H new ATOM 359 N GLN A 25 7.575 -3.116 1.990 1.00 0.00 N ATOM 360 CA GLN A 25 6.596 -3.957 2.684 1.00 0.00 C ATOM 361 C GLN A 25 7.333 -5.194 3.185 1.00 0.00 C ATOM 362 O GLN A 25 8.429 -5.479 2.699 1.00 0.00 O ATOM 363 CB GLN A 25 5.462 -4.361 1.738 1.00 0.00 C ATOM 364 CG GLN A 25 4.147 -3.656 2.029 1.00 0.00 C ATOM 365 CD GLN A 25 3.614 -2.900 0.829 1.00 0.00 C ATOM 366 OE1 GLN A 25 3.867 -3.273 -0.316 1.00 0.00 O ATOM 367 NE2 GLN A 25 2.874 -1.828 1.087 1.00 0.00 N ATOM 0 H GLN A 25 7.282 -2.785 1.071 1.00 0.00 H new ATOM 0 HA GLN A 25 6.149 -3.411 3.515 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.761 -4.145 0.712 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.310 -5.438 1.806 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.408 -4.391 2.349 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.286 -2.962 2.858 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.690 -1.556 2.053 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.490 -1.277 0.320 1.00 0.00 H new ATOM 376 N VAL A 26 6.783 -5.947 4.131 1.00 0.00 N ATOM 377 CA VAL A 26 7.478 -7.130 4.614 1.00 0.00 C ATOM 378 C VAL A 26 6.748 -8.386 4.170 1.00 0.00 C ATOM 379 O VAL A 26 5.524 -8.470 4.271 1.00 0.00 O ATOM 380 CB VAL A 26 7.595 -7.130 6.150 1.00 0.00 C ATOM 381 CG1 VAL A 26 8.474 -8.279 6.618 1.00 0.00 C ATOM 382 CG2 VAL A 26 8.135 -5.796 6.647 1.00 0.00 C ATOM 0 H VAL A 26 5.880 -5.765 4.569 1.00 0.00 H new ATOM 0 HA VAL A 26 8.482 -7.115 4.190 1.00 0.00 H new ATOM 0 HB VAL A 26 6.600 -7.270 6.572 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.545 -8.263 7.706 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.038 -9.225 6.297 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.470 -8.174 6.188 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.210 -5.816 7.734 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.122 -5.620 6.218 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.460 -4.995 6.345 1.00 0.00 H new ATOM 392 N PHE A 27 7.498 -9.356 3.670 1.00 0.00 N ATOM 393 CA PHE A 27 6.901 -10.596 3.205 1.00 0.00 C ATOM 394 C PHE A 27 7.266 -11.751 4.122 1.00 0.00 C ATOM 395 O PHE A 27 8.326 -12.364 3.998 1.00 0.00 O ATOM 396 CB PHE A 27 7.342 -10.856 1.765 1.00 0.00 C ATOM 397 CG PHE A 27 7.087 -9.677 0.859 1.00 0.00 C ATOM 398 CD1 PHE A 27 7.870 -8.531 0.937 1.00 0.00 C ATOM 399 CD2 PHE A 27 6.051 -9.710 -0.063 1.00 0.00 C ATOM 400 CE1 PHE A 27 7.622 -7.448 0.115 1.00 0.00 C ATOM 401 CE2 PHE A 27 5.803 -8.629 -0.887 1.00 0.00 C ATOM 402 CZ PHE A 27 6.588 -7.498 -0.799 1.00 0.00 C ATOM 0 H PHE A 27 8.513 -9.309 3.577 1.00 0.00 H new ATOM 0 HA PHE A 27 5.815 -10.507 3.226 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.405 -11.096 1.752 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.814 -11.728 1.379 1.00 0.00 H new ATOM 0 HD1 PHE A 27 8.682 -8.486 1.648 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.431 -10.591 -0.138 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.237 -6.563 0.187 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.994 -8.670 -1.601 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.394 -6.653 -1.444 1.00 0.00 H new ATOM 412 N ASN A 28 6.359 -12.018 5.054 1.00 0.00 N ATOM 413 CA ASN A 28 6.539 -13.077 6.032 1.00 0.00 C ATOM 414 C ASN A 28 5.380 -14.062 5.996 1.00 0.00 C ATOM 415 O ASN A 28 4.253 -13.706 5.648 1.00 0.00 O ATOM 416 CB ASN A 28 6.671 -12.482 7.436 1.00 0.00 C ATOM 417 CG ASN A 28 8.116 -12.323 7.864 1.00 0.00 C ATOM 418 OD1 ASN A 28 8.924 -11.725 7.154 1.00 0.00 O ATOM 419 ND2 ASN A 28 8.448 -12.862 9.031 1.00 0.00 N ATOM 0 H ASN A 28 5.482 -11.507 5.151 1.00 0.00 H new ATOM 0 HA ASN A 28 7.453 -13.615 5.780 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.178 -11.510 7.463 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.152 -13.123 8.149 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.406 -12.789 9.372 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.745 -13.349 9.586 1.00 0.00 H new ATOM 426 N ASP A 29 5.671 -15.299 6.366 1.00 0.00 N ATOM 427 CA ASP A 29 4.667 -16.356 6.392 1.00 0.00 C ATOM 428 C ASP A 29 4.171 -16.599 7.820 1.00 0.00 C ATOM 429 O ASP A 29 4.938 -16.475 8.775 1.00 0.00 O ATOM 430 CB ASP A 29 5.244 -17.649 5.811 1.00 0.00 C ATOM 431 CG ASP A 29 4.812 -17.878 4.375 1.00 0.00 C ATOM 432 OD1 ASP A 29 3.666 -18.330 4.164 1.00 0.00 O ATOM 433 OD2 ASP A 29 5.619 -17.605 3.461 1.00 0.00 O ATOM 0 H ASP A 29 6.602 -15.599 6.655 1.00 0.00 H new ATOM 0 HA ASP A 29 3.821 -16.038 5.782 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.332 -17.612 5.859 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.926 -18.493 6.423 1.00 0.00 H new ATOM 438 N PRO A 30 2.879 -16.950 7.992 1.00 0.00 N ATOM 439 CA PRO A 30 1.928 -17.110 6.884 1.00 0.00 C ATOM 440 C PRO A 30 1.476 -15.770 6.317 1.00 0.00 C ATOM 441 O PRO A 30 0.833 -14.977 7.004 1.00 0.00 O ATOM 442 CB PRO A 30 0.754 -17.840 7.534 1.00 0.00 C ATOM 443 CG PRO A 30 0.795 -17.418 8.962 1.00 0.00 C ATOM 444 CD PRO A 30 2.249 -17.218 9.300 1.00 0.00 C ATOM 0 HA PRO A 30 2.365 -17.644 6.040 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.192 -17.566 7.066 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.856 -18.921 7.437 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.230 -16.498 9.112 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.347 -18.176 9.605 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.389 -16.386 9.990 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.675 -18.101 9.776 1.00 0.00 H new ATOM 452 N LEU A 31 1.834 -15.519 5.061 1.00 0.00 N ATOM 453 CA LEU A 31 1.489 -14.269 4.390 1.00 0.00 C ATOM 454 C LEU A 31 0.041 -13.867 4.643 1.00 0.00 C ATOM 455 O LEU A 31 -0.842 -14.714 4.774 1.00 0.00 O ATOM 456 CB LEU A 31 1.738 -14.393 2.887 1.00 0.00 C ATOM 457 CG LEU A 31 3.051 -15.081 2.506 1.00 0.00 C ATOM 458 CD1 LEU A 31 2.799 -16.522 2.095 1.00 0.00 C ATOM 459 CD2 LEU A 31 3.749 -14.323 1.389 1.00 0.00 C ATOM 0 H LEU A 31 2.367 -16.170 4.484 1.00 0.00 H new ATOM 0 HA LEU A 31 2.127 -13.489 4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.912 -14.947 2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.727 -13.395 2.448 1.00 0.00 H new ATOM 0 HG LEU A 31 3.703 -15.081 3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.744 -16.995 1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.345 -17.063 2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.127 -16.543 1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.680 -14.828 1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.102 -14.289 0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.966 -13.307 1.719 1.00 0.00 H new ATOM 471 N VAL A 32 -0.188 -12.560 4.706 1.00 0.00 N ATOM 472 CA VAL A 32 -1.520 -12.020 4.938 1.00 0.00 C ATOM 473 C VAL A 32 -2.356 -12.076 3.661 1.00 0.00 C ATOM 474 O VAL A 32 -1.812 -12.129 2.558 1.00 0.00 O ATOM 475 CB VAL A 32 -1.439 -10.566 5.438 1.00 0.00 C ATOM 476 CG1 VAL A 32 -0.758 -9.679 4.407 1.00 0.00 C ATOM 477 CG2 VAL A 32 -2.821 -10.036 5.776 1.00 0.00 C ATOM 0 H VAL A 32 0.538 -11.852 4.599 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.999 -12.632 5.702 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.838 -10.552 6.347 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.712 -8.656 4.781 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.252 -10.044 4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.326 -9.700 3.477 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.740 -9.007 6.127 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.450 -10.067 4.887 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.266 -10.652 6.557 1.00 0.00 H new ATOM 487 N SER A 33 -3.677 -12.093 3.813 1.00 0.00 N ATOM 488 CA SER A 33 -4.574 -12.176 2.664 1.00 0.00 C ATOM 489 C SER A 33 -4.751 -10.821 1.987 1.00 0.00 C ATOM 490 O SER A 33 -4.291 -9.794 2.488 1.00 0.00 O ATOM 491 CB SER A 33 -5.937 -12.721 3.098 1.00 0.00 C ATOM 492 OG SER A 33 -6.474 -13.592 2.119 1.00 0.00 O ATOM 0 H SER A 33 -4.149 -12.051 4.716 1.00 0.00 H new ATOM 0 HA SER A 33 -4.122 -12.856 1.942 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.835 -13.252 4.045 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.625 -11.893 3.269 1.00 0.00 H new ATOM 0 HG SER A 33 -6.781 -13.069 1.349 1.00 0.00 H new ATOM 498 N GLU A 34 -5.413 -10.837 0.833 1.00 0.00 N ATOM 499 CA GLU A 34 -5.647 -9.618 0.061 1.00 0.00 C ATOM 500 C GLU A 34 -6.665 -8.708 0.741 1.00 0.00 C ATOM 501 O GLU A 34 -6.580 -7.487 0.629 1.00 0.00 O ATOM 502 CB GLU A 34 -6.108 -9.938 -1.372 1.00 0.00 C ATOM 503 CG GLU A 34 -6.769 -11.300 -1.541 1.00 0.00 C ATOM 504 CD GLU A 34 -7.942 -11.501 -0.603 1.00 0.00 C ATOM 505 OE1 GLU A 34 -9.032 -10.960 -0.889 1.00 0.00 O ATOM 506 OE2 GLU A 34 -7.774 -12.199 0.418 1.00 0.00 O ATOM 0 H GLU A 34 -5.798 -11.682 0.411 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.694 -9.092 0.010 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.808 -9.167 -1.694 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.246 -9.883 -2.037 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.110 -11.409 -2.571 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.030 -12.082 -1.365 1.00 0.00 H new ATOM 513 N GLU A 35 -7.620 -9.298 1.452 1.00 0.00 N ATOM 514 CA GLU A 35 -8.634 -8.514 2.147 1.00 0.00 C ATOM 515 C GLU A 35 -7.998 -7.717 3.278 1.00 0.00 C ATOM 516 O GLU A 35 -8.362 -6.564 3.533 1.00 0.00 O ATOM 517 CB GLU A 35 -9.731 -9.426 2.701 1.00 0.00 C ATOM 518 CG GLU A 35 -10.957 -8.674 3.192 1.00 0.00 C ATOM 519 CD GLU A 35 -11.142 -8.775 4.693 1.00 0.00 C ATOM 520 OE1 GLU A 35 -11.307 -9.905 5.198 1.00 0.00 O ATOM 521 OE2 GLU A 35 -11.121 -7.722 5.366 1.00 0.00 O ATOM 0 H GLU A 35 -7.713 -10.308 1.562 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.083 -7.822 1.435 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.033 -10.129 1.925 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.322 -10.014 3.523 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.872 -7.625 2.910 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.843 -9.067 2.693 1.00 0.00 H new ATOM 528 N ASP A 36 -7.019 -8.333 3.929 1.00 0.00 N ATOM 529 CA ASP A 36 -6.304 -7.679 5.013 1.00 0.00 C ATOM 530 C ASP A 36 -5.388 -6.607 4.442 1.00 0.00 C ATOM 531 O ASP A 36 -5.199 -5.548 5.039 1.00 0.00 O ATOM 532 CB ASP A 36 -5.501 -8.696 5.821 1.00 0.00 C ATOM 533 CG ASP A 36 -6.220 -9.128 7.084 1.00 0.00 C ATOM 534 OD1 ASP A 36 -7.075 -10.035 7.000 1.00 0.00 O ATOM 535 OD2 ASP A 36 -5.928 -8.560 8.158 1.00 0.00 O ATOM 0 H ASP A 36 -6.704 -9.281 3.725 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.025 -7.213 5.684 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.301 -9.571 5.203 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.535 -8.265 6.085 1.00 0.00 H new ATOM 540 N MET A 37 -4.842 -6.883 3.261 1.00 0.00 N ATOM 541 CA MET A 37 -3.970 -5.935 2.587 1.00 0.00 C ATOM 542 C MET A 37 -4.780 -4.722 2.152 1.00 0.00 C ATOM 543 O MET A 37 -4.374 -3.580 2.362 1.00 0.00 O ATOM 544 CB MET A 37 -3.300 -6.586 1.376 1.00 0.00 C ATOM 545 CG MET A 37 -1.847 -6.179 1.193 1.00 0.00 C ATOM 546 SD MET A 37 -0.781 -6.804 2.507 1.00 0.00 S ATOM 547 CE MET A 37 0.322 -5.411 2.737 1.00 0.00 C ATOM 0 H MET A 37 -4.990 -7.756 2.754 1.00 0.00 H new ATOM 0 HA MET A 37 -3.189 -5.619 3.278 1.00 0.00 H new ATOM 0 HB2 MET A 37 -3.355 -7.670 1.480 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.858 -6.323 0.477 1.00 0.00 H new ATOM 0 HG2 MET A 37 -1.488 -6.549 0.232 1.00 0.00 H new ATOM 0 HG3 MET A 37 -1.779 -5.092 1.162 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.781 -5.470 3.724 1.00 0.00 H new ATOM 0 HE2 MET A 37 1.099 -5.432 1.973 1.00 0.00 H new ATOM 0 HE3 MET A 37 -0.243 -4.482 2.654 1.00 0.00 H new ATOM 557 N VAL A 38 -5.942 -4.984 1.555 1.00 0.00 N ATOM 558 CA VAL A 38 -6.825 -3.918 1.103 1.00 0.00 C ATOM 559 C VAL A 38 -7.163 -2.986 2.259 1.00 0.00 C ATOM 560 O VAL A 38 -7.068 -1.766 2.131 1.00 0.00 O ATOM 561 CB VAL A 38 -8.131 -4.476 0.499 1.00 0.00 C ATOM 562 CG1 VAL A 38 -9.028 -3.345 0.010 1.00 0.00 C ATOM 563 CG2 VAL A 38 -7.823 -5.447 -0.633 1.00 0.00 C ATOM 0 H VAL A 38 -6.291 -5.925 1.375 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.296 -3.366 0.326 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.665 -5.017 1.280 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.942 -3.762 -0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.279 -2.692 0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.505 -2.771 -0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.755 -5.831 -1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.265 -4.930 -1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.228 -6.276 -0.250 1.00 0.00 H new ATOM 573 N THR A 39 -7.549 -3.565 3.396 1.00 0.00 N ATOM 574 CA THR A 39 -7.883 -2.768 4.570 1.00 0.00 C ATOM 575 C THR A 39 -6.691 -1.901 4.970 1.00 0.00 C ATOM 576 O THR A 39 -6.836 -0.704 5.223 1.00 0.00 O ATOM 577 CB THR A 39 -8.326 -3.675 5.729 1.00 0.00 C ATOM 578 OG1 THR A 39 -9.486 -3.155 6.353 1.00 0.00 O ATOM 579 CG2 THR A 39 -7.277 -3.867 6.809 1.00 0.00 C ATOM 0 H THR A 39 -7.637 -4.573 3.526 1.00 0.00 H new ATOM 0 HA THR A 39 -8.717 -2.110 4.326 1.00 0.00 H new ATOM 0 HB THR A 39 -8.513 -4.643 5.265 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.755 -3.746 7.087 1.00 0.00 H new ATOM 0 HG21 THR A 39 -7.672 -4.520 7.588 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.386 -4.319 6.374 1.00 0.00 H new ATOM 0 HG23 THR A 39 -7.019 -2.900 7.242 1.00 0.00 H new ATOM 587 N VAL A 40 -5.510 -2.513 5.015 1.00 0.00 N ATOM 588 CA VAL A 40 -4.291 -1.797 5.369 1.00 0.00 C ATOM 589 C VAL A 40 -4.069 -0.618 4.427 1.00 0.00 C ATOM 590 O VAL A 40 -3.795 0.499 4.866 1.00 0.00 O ATOM 591 CB VAL A 40 -3.057 -2.721 5.322 1.00 0.00 C ATOM 592 CG1 VAL A 40 -1.809 -1.975 5.772 1.00 0.00 C ATOM 593 CG2 VAL A 40 -3.283 -3.959 6.178 1.00 0.00 C ATOM 0 H VAL A 40 -5.373 -3.503 4.810 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.416 -1.434 6.389 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.908 -3.041 4.291 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.950 -2.645 5.731 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.637 -1.124 5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.945 -1.621 6.794 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.402 -4.599 6.132 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.461 -3.660 7.211 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.148 -4.506 5.805 1.00 0.00 H new ATOM 603 N VAL A 41 -4.199 -0.875 3.128 1.00 0.00 N ATOM 604 CA VAL A 41 -4.023 0.166 2.125 1.00 0.00 C ATOM 605 C VAL A 41 -5.050 1.275 2.319 1.00 0.00 C ATOM 606 O VAL A 41 -4.709 2.457 2.329 1.00 0.00 O ATOM 607 CB VAL A 41 -4.153 -0.397 0.696 1.00 0.00 C ATOM 608 CG1 VAL A 41 -3.822 0.672 -0.333 1.00 0.00 C ATOM 609 CG2 VAL A 41 -3.259 -1.615 0.517 1.00 0.00 C ATOM 0 H VAL A 41 -4.425 -1.794 2.748 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.018 0.569 2.252 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.186 -0.708 0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.920 0.255 -1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.509 1.511 -0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.800 1.018 -0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.365 -1.998 -0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.221 -1.333 0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.550 -2.388 1.229 1.00 0.00 H new ATOM 619 N GLU A 42 -6.311 0.881 2.480 1.00 0.00 N ATOM 620 CA GLU A 42 -7.391 1.839 2.682 1.00 0.00 C ATOM 621 C GLU A 42 -7.099 2.727 3.887 1.00 0.00 C ATOM 622 O GLU A 42 -7.206 3.951 3.811 1.00 0.00 O ATOM 623 CB GLU A 42 -8.721 1.107 2.879 1.00 0.00 C ATOM 624 CG GLU A 42 -9.644 1.187 1.674 1.00 0.00 C ATOM 625 CD GLU A 42 -10.390 -0.108 1.423 1.00 0.00 C ATOM 626 OE1 GLU A 42 -10.814 -0.749 2.408 1.00 0.00 O ATOM 627 OE2 GLU A 42 -10.549 -0.483 0.243 1.00 0.00 O ATOM 0 H GLU A 42 -6.608 -0.095 2.474 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.463 2.468 1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.520 0.059 3.103 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.232 1.526 3.746 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.363 1.992 1.825 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.060 1.442 0.790 1.00 0.00 H new ATOM 634 N ASP A 43 -6.724 2.099 4.997 1.00 0.00 N ATOM 635 CA ASP A 43 -6.409 2.829 6.218 1.00 0.00 C ATOM 636 C ASP A 43 -5.253 3.794 5.985 1.00 0.00 C ATOM 637 O ASP A 43 -5.306 4.949 6.398 1.00 0.00 O ATOM 638 CB ASP A 43 -6.058 1.854 7.343 1.00 0.00 C ATOM 639 CG ASP A 43 -7.277 1.409 8.127 1.00 0.00 C ATOM 640 OD1 ASP A 43 -7.735 2.177 9.000 1.00 0.00 O ATOM 641 OD2 ASP A 43 -7.774 0.293 7.868 1.00 0.00 O ATOM 0 H ASP A 43 -6.631 1.086 5.075 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.288 3.404 6.509 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.563 0.980 6.920 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.347 2.327 8.020 1.00 0.00 H new ATOM 646 N TRP A 44 -4.212 3.309 5.310 1.00 0.00 N ATOM 647 CA TRP A 44 -3.035 4.121 5.007 1.00 0.00 C ATOM 648 C TRP A 44 -3.407 5.330 4.152 1.00 0.00 C ATOM 649 O TRP A 44 -2.905 6.433 4.363 1.00 0.00 O ATOM 650 CB TRP A 44 -2.005 3.285 4.241 1.00 0.00 C ATOM 651 CG TRP A 44 -1.110 2.443 5.101 1.00 0.00 C ATOM 652 CD1 TRP A 44 -0.898 2.561 6.445 1.00 0.00 C ATOM 653 CD2 TRP A 44 -0.298 1.349 4.660 1.00 0.00 C ATOM 654 NE1 TRP A 44 -0.001 1.605 6.865 1.00 0.00 N ATOM 655 CE2 TRP A 44 0.381 0.849 5.786 1.00 0.00 C ATOM 656 CE3 TRP A 44 -0.081 0.745 3.418 1.00 0.00 C ATOM 657 CZ2 TRP A 44 1.265 -0.230 5.704 1.00 0.00 C ATOM 658 CZ3 TRP A 44 0.792 -0.322 3.339 1.00 0.00 C ATOM 659 CH2 TRP A 44 1.455 -0.800 4.475 1.00 0.00 C ATOM 0 H TRP A 44 -4.160 2.352 4.961 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.617 4.464 5.953 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.533 2.634 3.544 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.386 3.955 3.644 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.365 3.296 7.084 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.326 1.479 7.823 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.587 1.107 2.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.779 -0.600 6.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.966 -0.796 2.384 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.131 -1.637 4.379 1.00 0.00 H new ATOM 670 N MET A 45 -4.265 5.099 3.164 1.00 0.00 N ATOM 671 CA MET A 45 -4.680 6.151 2.243 1.00 0.00 C ATOM 672 C MET A 45 -5.505 7.239 2.925 1.00 0.00 C ATOM 673 O MET A 45 -5.222 8.427 2.759 1.00 0.00 O ATOM 674 CB MET A 45 -5.473 5.553 1.080 1.00 0.00 C ATOM 675 CG MET A 45 -4.623 4.746 0.112 1.00 0.00 C ATOM 676 SD MET A 45 -5.365 4.626 -1.529 1.00 0.00 S ATOM 677 CE MET A 45 -6.441 3.209 -1.314 1.00 0.00 C ATOM 0 H MET A 45 -4.688 4.189 2.980 1.00 0.00 H new ATOM 0 HA MET A 45 -3.770 6.620 1.869 1.00 0.00 H new ATOM 0 HB2 MET A 45 -6.260 4.913 1.479 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.964 6.359 0.534 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.638 5.206 0.029 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.474 3.744 0.514 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.051 2.366 -1.884 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.486 2.943 -0.258 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.442 3.455 -1.669 1.00 0.00 H new ATOM 687 N ASN A 46 -6.516 6.850 3.698 1.00 0.00 N ATOM 688 CA ASN A 46 -7.348 7.827 4.388 1.00 0.00 C ATOM 689 C ASN A 46 -6.559 8.486 5.507 1.00 0.00 C ATOM 690 O ASN A 46 -6.754 9.663 5.812 1.00 0.00 O ATOM 691 CB ASN A 46 -8.600 7.155 4.955 1.00 0.00 C ATOM 692 CG ASN A 46 -9.757 8.123 5.108 1.00 0.00 C ATOM 693 OD1 ASN A 46 -9.777 9.189 4.493 1.00 0.00 O ATOM 694 ND2 ASN A 46 -10.731 7.754 5.933 1.00 0.00 N ATOM 0 H ASN A 46 -6.775 5.877 3.860 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.655 8.590 3.673 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.899 6.337 4.299 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.366 6.717 5.925 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.536 8.364 6.077 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.674 6.861 6.423 1.00 0.00 H new ATOM 701 N PHE A 47 -5.656 7.720 6.109 1.00 0.00 N ATOM 702 CA PHE A 47 -4.826 8.233 7.184 1.00 0.00 C ATOM 703 C PHE A 47 -3.947 9.364 6.670 1.00 0.00 C ATOM 704 O PHE A 47 -3.782 10.380 7.338 1.00 0.00 O ATOM 705 CB PHE A 47 -3.966 7.109 7.785 1.00 0.00 C ATOM 706 CG PHE A 47 -2.520 7.474 7.987 1.00 0.00 C ATOM 707 CD1 PHE A 47 -2.139 8.311 9.024 1.00 0.00 C ATOM 708 CD2 PHE A 47 -1.546 6.983 7.133 1.00 0.00 C ATOM 709 CE1 PHE A 47 -0.811 8.650 9.203 1.00 0.00 C ATOM 710 CE2 PHE A 47 -0.218 7.318 7.308 1.00 0.00 C ATOM 711 CZ PHE A 47 0.150 8.154 8.344 1.00 0.00 C ATOM 0 H PHE A 47 -5.483 6.744 5.869 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.472 8.623 7.970 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.392 6.816 8.745 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.021 6.238 7.132 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.887 8.702 9.698 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.829 6.330 6.320 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.525 9.303 10.015 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.532 6.927 6.636 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.188 8.419 8.482 1.00 0.00 H new ATOM 721 N TYR A 48 -3.378 9.180 5.480 1.00 0.00 N ATOM 722 CA TYR A 48 -2.510 10.194 4.896 1.00 0.00 C ATOM 723 C TYR A 48 -3.301 11.425 4.476 1.00 0.00 C ATOM 724 O TYR A 48 -2.888 12.552 4.734 1.00 0.00 O ATOM 725 CB TYR A 48 -1.760 9.624 3.690 1.00 0.00 C ATOM 726 CG TYR A 48 -0.451 8.952 4.039 1.00 0.00 C ATOM 727 CD1 TYR A 48 0.508 9.606 4.803 1.00 0.00 C ATOM 728 CD2 TYR A 48 -0.172 7.665 3.596 1.00 0.00 C ATOM 729 CE1 TYR A 48 1.707 8.996 5.117 1.00 0.00 C ATOM 730 CE2 TYR A 48 1.024 7.047 3.908 1.00 0.00 C ATOM 731 CZ TYR A 48 1.960 7.717 4.668 1.00 0.00 C ATOM 732 OH TYR A 48 3.153 7.105 4.980 1.00 0.00 O ATOM 0 H TYR A 48 -3.502 8.345 4.908 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.791 10.493 5.659 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.402 8.904 3.183 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.565 10.430 2.983 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.313 10.607 5.157 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.902 7.139 2.998 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.442 9.518 5.711 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.225 6.045 3.559 1.00 0.00 H new ATOM 0 HH TYR A 48 3.601 7.607 5.693 1.00 0.00 H new ATOM 742 N ILE A 49 -4.435 11.210 3.828 1.00 0.00 N ATOM 743 CA ILE A 49 -5.270 12.316 3.377 1.00 0.00 C ATOM 744 C ILE A 49 -5.671 13.211 4.557 1.00 0.00 C ATOM 745 O ILE A 49 -5.419 14.422 4.551 1.00 0.00 O ATOM 746 CB ILE A 49 -6.526 11.777 2.637 1.00 0.00 C ATOM 747 CG1 ILE A 49 -6.261 11.648 1.127 1.00 0.00 C ATOM 748 CG2 ILE A 49 -7.744 12.659 2.883 1.00 0.00 C ATOM 749 CD1 ILE A 49 -4.807 11.423 0.762 1.00 0.00 C ATOM 0 H ILE A 49 -4.799 10.284 3.602 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.694 12.922 2.678 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.739 10.787 3.041 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.853 10.820 0.736 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.611 12.553 0.631 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.603 12.251 2.350 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.961 12.690 3.951 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -7.541 13.668 2.525 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.712 11.344 -0.321 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.208 12.261 1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.454 10.502 1.226 1.00 0.00 H new ATOM 761 N ASN A 50 -6.276 12.608 5.573 1.00 0.00 N ATOM 762 CA ASN A 50 -6.695 13.348 6.758 1.00 0.00 C ATOM 763 C ASN A 50 -5.487 13.875 7.526 1.00 0.00 C ATOM 764 O ASN A 50 -5.493 15.006 8.013 1.00 0.00 O ATOM 765 CB ASN A 50 -7.542 12.454 7.667 1.00 0.00 C ATOM 766 CG ASN A 50 -8.533 13.244 8.498 1.00 0.00 C ATOM 767 OD1 ASN A 50 -9.171 14.174 8.007 1.00 0.00 O ATOM 768 ND2 ASN A 50 -8.667 12.875 9.767 1.00 0.00 N ATOM 0 H ASN A 50 -6.487 11.611 5.601 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.295 14.198 6.433 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.081 11.728 7.058 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.886 11.889 8.329 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.319 13.369 10.376 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.117 12.097 10.133 1.00 0.00 H new ATOM 775 N TYR A 51 -4.454 13.045 7.634 1.00 0.00 N ATOM 776 CA TYR A 51 -3.238 13.419 8.348 1.00 0.00 C ATOM 777 C TYR A 51 -2.579 14.642 7.720 1.00 0.00 C ATOM 778 O TYR A 51 -2.160 15.565 8.417 1.00 0.00 O ATOM 779 CB TYR A 51 -2.259 12.243 8.341 1.00 0.00 C ATOM 780 CG TYR A 51 -0.882 12.571 8.872 1.00 0.00 C ATOM 781 CD1 TYR A 51 -0.706 13.492 9.895 1.00 0.00 C ATOM 782 CD2 TYR A 51 0.243 11.956 8.341 1.00 0.00 C ATOM 783 CE1 TYR A 51 0.555 13.789 10.376 1.00 0.00 C ATOM 784 CE2 TYR A 51 1.503 12.244 8.814 1.00 0.00 C ATOM 785 CZ TYR A 51 1.657 13.161 9.832 1.00 0.00 C ATOM 786 OH TYR A 51 2.915 13.453 10.308 1.00 0.00 O ATOM 0 H TYR A 51 -4.435 12.106 7.235 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.508 13.671 9.373 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.680 11.432 8.935 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.162 11.873 7.320 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.568 13.984 10.322 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.128 11.238 7.542 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.677 14.508 11.173 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.367 11.754 8.390 1.00 0.00 H new ATOM 0 HH TYR A 51 3.580 12.925 9.819 1.00 0.00 H new ATOM 796 N TYR A 52 -2.473 14.624 6.401 1.00 0.00 N ATOM 797 CA TYR A 52 -1.843 15.711 5.664 1.00 0.00 C ATOM 798 C TYR A 52 -2.681 16.976 5.681 1.00 0.00 C ATOM 799 O TYR A 52 -2.138 18.075 5.659 1.00 0.00 O ATOM 800 CB TYR A 52 -1.585 15.292 4.222 1.00 0.00 C ATOM 801 CG TYR A 52 -0.451 14.316 4.080 1.00 0.00 C ATOM 802 CD1 TYR A 52 0.792 14.587 4.627 1.00 0.00 C ATOM 803 CD2 TYR A 52 -0.627 13.118 3.408 1.00 0.00 C ATOM 804 CE1 TYR A 52 1.831 13.691 4.511 1.00 0.00 C ATOM 805 CE2 TYR A 52 0.403 12.216 3.281 1.00 0.00 C ATOM 806 CZ TYR A 52 1.634 12.505 3.837 1.00 0.00 C ATOM 807 OH TYR A 52 2.666 11.605 3.731 1.00 0.00 O ATOM 0 H TYR A 52 -2.817 13.864 5.814 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.898 15.928 6.162 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.492 14.847 3.813 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.369 16.179 3.626 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.949 15.517 5.153 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.590 12.888 2.976 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.794 13.916 4.945 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.251 11.288 2.750 1.00 0.00 H new ATOM 0 HH TYR A 52 2.373 10.730 4.061 1.00 0.00 H new ATOM 817 N ARG A 53 -3.998 16.831 5.732 1.00 0.00 N ATOM 818 CA ARG A 53 -4.872 17.996 5.760 1.00 0.00 C ATOM 819 C ARG A 53 -4.563 18.873 6.971 1.00 0.00 C ATOM 820 O ARG A 53 -4.804 20.080 6.953 1.00 0.00 O ATOM 821 CB ARG A 53 -6.337 17.557 5.791 1.00 0.00 C ATOM 822 CG ARG A 53 -7.323 18.713 5.839 1.00 0.00 C ATOM 823 CD ARG A 53 -8.753 18.219 5.995 1.00 0.00 C ATOM 824 NE ARG A 53 -9.379 17.936 4.706 1.00 0.00 N ATOM 825 CZ ARG A 53 -9.867 18.874 3.896 1.00 0.00 C ATOM 826 NH1 ARG A 53 -9.796 20.155 4.235 1.00 0.00 N ATOM 827 NH2 ARG A 53 -10.429 18.530 2.745 1.00 0.00 N ATOM 0 H ARG A 53 -4.480 15.932 5.755 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.695 18.579 4.856 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.544 16.952 4.909 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.497 16.919 6.660 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.072 19.373 6.670 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.238 19.303 4.927 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.760 17.317 6.607 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.340 18.969 6.526 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.446 16.963 4.409 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.366 20.425 5.120 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.171 20.869 3.611 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.488 17.547 2.480 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.803 19.249 2.125 1.00 0.00 H new ATOM 841 N GLN A 54 -4.060 18.250 8.034 1.00 0.00 N ATOM 842 CA GLN A 54 -3.751 18.960 9.269 1.00 0.00 C ATOM 843 C GLN A 54 -2.289 19.394 9.355 1.00 0.00 C ATOM 844 O GLN A 54 -1.945 20.245 10.175 1.00 0.00 O ATOM 845 CB GLN A 54 -4.071 18.061 10.461 1.00 0.00 C ATOM 846 CG GLN A 54 -5.560 17.873 10.704 1.00 0.00 C ATOM 847 CD GLN A 54 -5.868 16.640 11.530 1.00 0.00 C ATOM 848 OE1 GLN A 54 -5.629 16.611 12.737 1.00 0.00 O ATOM 849 NE2 GLN A 54 -6.399 15.610 10.881 1.00 0.00 N ATOM 0 H GLN A 54 -3.858 17.251 8.063 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.362 19.863 9.281 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.612 17.085 10.302 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.617 18.485 11.357 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.955 18.753 11.212 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.074 17.801 9.745 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.581 15.677 9.880 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.625 14.752 11.384 1.00 0.00 H new ATOM 858 N GLN A 55 -1.420 18.796 8.545 1.00 0.00 N ATOM 859 CA GLN A 55 0.001 19.133 8.597 1.00 0.00 C ATOM 860 C GLN A 55 0.449 19.993 7.413 1.00 0.00 C ATOM 861 O GLN A 55 1.502 19.750 6.825 1.00 0.00 O ATOM 862 CB GLN A 55 0.840 17.856 8.683 1.00 0.00 C ATOM 863 CG GLN A 55 0.982 17.111 7.371 1.00 0.00 C ATOM 864 CD GLN A 55 1.110 15.616 7.574 1.00 0.00 C ATOM 865 OE1 GLN A 55 0.116 14.902 7.693 1.00 0.00 O ATOM 866 NE2 GLN A 55 2.341 15.135 7.626 1.00 0.00 N ATOM 0 H GLN A 55 -1.668 18.087 7.855 1.00 0.00 H new ATOM 0 HA GLN A 55 0.158 19.732 9.494 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.834 18.113 9.051 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.390 17.189 9.419 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.116 17.318 6.742 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.858 17.480 6.838 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.139 15.762 7.523 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.493 14.137 7.770 1.00 0.00 H new ATOM 875 N VAL A 56 -0.341 21.011 7.088 1.00 0.00 N ATOM 876 CA VAL A 56 -0.004 21.919 5.991 1.00 0.00 C ATOM 877 C VAL A 56 0.034 23.360 6.483 1.00 0.00 C ATOM 878 O VAL A 56 -0.490 23.672 7.553 1.00 0.00 O ATOM 879 CB VAL A 56 -1.000 21.837 4.814 1.00 0.00 C ATOM 880 CG1 VAL A 56 -0.257 21.828 3.487 1.00 0.00 C ATOM 881 CG2 VAL A 56 -1.902 20.619 4.921 1.00 0.00 C ATOM 0 H VAL A 56 -1.216 21.230 7.565 1.00 0.00 H new ATOM 0 HA VAL A 56 0.976 21.605 5.633 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.634 22.723 4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.975 21.770 2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.329 22.742 3.392 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.408 20.965 3.448 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.588 20.598 4.074 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.294 19.714 4.918 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.473 20.669 5.848 1.00 0.00 H new ATOM 891 N THR A 57 0.647 24.241 5.697 1.00 0.00 N ATOM 892 CA THR A 57 0.742 25.651 6.056 1.00 0.00 C ATOM 893 C THR A 57 0.224 26.527 4.918 1.00 0.00 C ATOM 894 O THR A 57 0.040 26.054 3.795 1.00 0.00 O ATOM 895 CB THR A 57 2.192 26.016 6.375 1.00 0.00 C ATOM 896 OG1 THR A 57 2.831 24.965 7.080 1.00 0.00 O ATOM 897 CG2 THR A 57 2.327 27.274 7.204 1.00 0.00 C ATOM 0 H THR A 57 1.085 24.002 4.807 1.00 0.00 H new ATOM 0 HA THR A 57 0.128 25.825 6.940 1.00 0.00 H new ATOM 0 HB THR A 57 2.664 26.188 5.408 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.758 25.217 7.273 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.382 27.474 7.393 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.890 28.114 6.664 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.807 27.142 8.153 1.00 0.00 H new ATOM 905 N GLY A 58 -0.007 27.802 5.209 1.00 0.00 N ATOM 906 CA GLY A 58 -0.497 28.717 4.193 1.00 0.00 C ATOM 907 C GLY A 58 -2.012 28.797 4.158 1.00 0.00 C ATOM 908 O GLY A 58 -2.673 28.627 5.183 1.00 0.00 O ATOM 0 H GLY A 58 0.136 28.219 6.129 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.089 29.711 4.378 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.131 28.399 3.217 1.00 0.00 H new ATOM 912 N GLU A 59 -2.564 29.060 2.976 1.00 0.00 N ATOM 913 CA GLU A 59 -4.011 29.167 2.812 1.00 0.00 C ATOM 914 C GLU A 59 -4.654 27.784 2.703 1.00 0.00 C ATOM 915 O GLU A 59 -3.995 26.810 2.347 1.00 0.00 O ATOM 916 CB GLU A 59 -4.349 30.006 1.577 1.00 0.00 C ATOM 917 CG GLU A 59 -4.664 31.457 1.902 1.00 0.00 C ATOM 918 CD GLU A 59 -4.452 32.380 0.718 1.00 0.00 C ATOM 919 OE1 GLU A 59 -3.351 32.346 0.128 1.00 0.00 O ATOM 920 OE2 GLU A 59 -5.385 33.140 0.383 1.00 0.00 O ATOM 0 H GLU A 59 -2.031 29.203 2.118 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.414 29.663 3.695 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.510 29.971 0.882 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.204 29.561 1.067 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.698 31.534 2.237 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.036 31.784 2.730 1.00 0.00 H new ATOM 927 N PRO A 60 -5.957 27.687 3.021 1.00 0.00 N ATOM 928 CA PRO A 60 -6.698 26.419 2.971 1.00 0.00 C ATOM 929 C PRO A 60 -6.884 25.878 1.554 1.00 0.00 C ATOM 930 O PRO A 60 -7.153 24.689 1.370 1.00 0.00 O ATOM 931 CB PRO A 60 -8.056 26.772 3.586 1.00 0.00 C ATOM 932 CG PRO A 60 -8.199 28.240 3.377 1.00 0.00 C ATOM 933 CD PRO A 60 -6.809 28.806 3.465 1.00 0.00 C ATOM 0 HA PRO A 60 -6.160 25.630 3.496 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.864 26.223 3.102 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.088 26.518 4.646 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.647 28.455 2.407 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.849 28.681 4.133 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.690 29.680 2.825 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.566 29.118 4.481 1.00 0.00 H new ATOM 941 N GLN A 61 -6.747 26.746 0.556 1.00 0.00 N ATOM 942 CA GLN A 61 -6.913 26.334 -0.836 1.00 0.00 C ATOM 943 C GLN A 61 -5.819 25.363 -1.264 1.00 0.00 C ATOM 944 O GLN A 61 -6.091 24.346 -1.912 1.00 0.00 O ATOM 945 CB GLN A 61 -6.908 27.560 -1.753 1.00 0.00 C ATOM 946 CG GLN A 61 -5.655 28.410 -1.627 1.00 0.00 C ATOM 947 CD GLN A 61 -5.926 29.885 -1.848 1.00 0.00 C ATOM 948 OE1 GLN A 61 -5.587 30.439 -2.894 1.00 0.00 O ATOM 949 NE2 GLN A 61 -6.540 30.528 -0.863 1.00 0.00 N ATOM 0 H GLN A 61 -6.523 27.733 0.683 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.872 25.822 -0.920 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -7.011 27.230 -2.787 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -7.779 28.176 -1.527 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.223 28.268 -0.637 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.914 28.068 -2.350 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.803 30.028 -0.014 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.749 31.522 -0.955 1.00 0.00 H new ATOM 958 N GLU A 62 -4.584 25.668 -0.892 1.00 0.00 N ATOM 959 CA GLU A 62 -3.462 24.809 -1.239 1.00 0.00 C ATOM 960 C GLU A 62 -3.579 23.476 -0.517 1.00 0.00 C ATOM 961 O GLU A 62 -3.236 22.429 -1.067 1.00 0.00 O ATOM 962 CB GLU A 62 -2.130 25.482 -0.908 1.00 0.00 C ATOM 963 CG GLU A 62 -1.844 25.596 0.582 1.00 0.00 C ATOM 964 CD GLU A 62 -1.256 26.942 0.958 1.00 0.00 C ATOM 965 OE1 GLU A 62 -1.925 27.969 0.721 1.00 0.00 O ATOM 966 OE2 GLU A 62 -0.125 26.970 1.487 1.00 0.00 O ATOM 0 H GLU A 62 -4.335 26.498 -0.354 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.489 24.631 -2.314 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.324 24.920 -1.380 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.121 26.480 -1.346 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.767 25.438 1.139 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.154 24.806 0.878 1.00 0.00 H new ATOM 973 N ARG A 63 -4.090 23.515 0.711 1.00 0.00 N ATOM 974 CA ARG A 63 -4.273 22.300 1.486 1.00 0.00 C ATOM 975 C ARG A 63 -5.199 21.361 0.737 1.00 0.00 C ATOM 976 O ARG A 63 -4.896 20.184 0.547 1.00 0.00 O ATOM 977 CB ARG A 63 -4.870 22.629 2.856 1.00 0.00 C ATOM 978 CG ARG A 63 -3.826 22.942 3.909 1.00 0.00 C ATOM 979 CD ARG A 63 -3.864 24.405 4.323 1.00 0.00 C ATOM 980 NE ARG A 63 -3.020 24.669 5.488 1.00 0.00 N ATOM 981 CZ ARG A 63 -3.485 24.869 6.721 1.00 0.00 C ATOM 982 NH1 ARG A 63 -4.790 24.828 6.969 1.00 0.00 N ATOM 983 NH2 ARG A 63 -2.640 25.109 7.715 1.00 0.00 N ATOM 0 H ARG A 63 -4.382 24.370 1.184 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.305 21.821 1.632 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.541 23.482 2.756 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.473 21.786 3.193 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.991 22.312 4.783 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.836 22.699 3.523 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.535 25.026 3.490 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.891 24.691 4.548 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.010 24.702 5.348 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.447 24.642 6.212 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.134 24.983 7.917 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.636 25.140 7.535 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.994 25.262 8.659 1.00 0.00 H new ATOM 997 N ASP A 64 -6.342 21.898 0.325 1.00 0.00 N ATOM 998 CA ASP A 64 -7.329 21.113 -0.393 1.00 0.00 C ATOM 999 C ASP A 64 -6.749 20.518 -1.672 1.00 0.00 C ATOM 1000 O ASP A 64 -7.012 19.354 -1.986 1.00 0.00 O ATOM 1001 CB ASP A 64 -8.551 21.971 -0.724 1.00 0.00 C ATOM 1002 CG ASP A 64 -9.837 21.169 -0.724 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -10.087 20.447 -1.713 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -10.595 21.260 0.264 1.00 0.00 O ATOM 0 H ASP A 64 -6.604 22.872 0.477 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.631 20.290 0.255 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.631 22.780 0.002 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.414 22.432 -1.702 1.00 0.00 H new ATOM 1009 N LYS A 65 -5.952 21.290 -2.419 1.00 0.00 N ATOM 1010 CA LYS A 65 -5.366 20.767 -3.648 1.00 0.00 C ATOM 1011 C LYS A 65 -4.442 19.601 -3.336 1.00 0.00 C ATOM 1012 O LYS A 65 -4.536 18.536 -3.947 1.00 0.00 O ATOM 1013 CB LYS A 65 -4.598 21.868 -4.385 1.00 0.00 C ATOM 1014 CG LYS A 65 -5.361 22.457 -5.562 1.00 0.00 C ATOM 1015 CD LYS A 65 -5.594 23.950 -5.388 1.00 0.00 C ATOM 1016 CE LYS A 65 -6.699 24.455 -6.303 1.00 0.00 C ATOM 1017 NZ LYS A 65 -6.229 25.556 -7.188 1.00 0.00 N ATOM 0 H LYS A 65 -5.705 22.255 -2.198 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.171 20.414 -4.293 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.358 22.666 -3.682 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.651 21.463 -4.742 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.804 22.280 -6.482 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.319 21.948 -5.666 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.856 24.159 -4.351 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.671 24.490 -5.599 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.069 23.631 -6.914 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.537 24.806 -5.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.012 25.871 -7.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.900 26.353 -6.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.447 25.214 -7.782 1.00 0.00 H new ATOM 1031 N ALA A 66 -3.551 19.812 -2.378 1.00 0.00 N ATOM 1032 CA ALA A 66 -2.606 18.780 -1.977 1.00 0.00 C ATOM 1033 C ALA A 66 -3.349 17.525 -1.542 1.00 0.00 C ATOM 1034 O ALA A 66 -2.885 16.408 -1.766 1.00 0.00 O ATOM 1035 CB ALA A 66 -1.713 19.287 -0.854 1.00 0.00 C ATOM 0 H ALA A 66 -3.463 20.689 -1.864 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.977 18.531 -2.832 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.012 18.504 -0.565 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.160 20.162 -1.196 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.327 19.559 0.005 1.00 0.00 H new ATOM 1041 N LEU A 67 -4.516 17.718 -0.939 1.00 0.00 N ATOM 1042 CA LEU A 67 -5.339 16.603 -0.490 1.00 0.00 C ATOM 1043 C LEU A 67 -5.915 15.858 -1.685 1.00 0.00 C ATOM 1044 O LEU A 67 -6.071 14.635 -1.656 1.00 0.00 O ATOM 1045 CB LEU A 67 -6.473 17.103 0.404 1.00 0.00 C ATOM 1046 CG LEU A 67 -6.261 16.880 1.899 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -4.942 17.495 2.340 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -7.421 17.465 2.691 1.00 0.00 C ATOM 0 H LEU A 67 -4.914 18.638 -0.750 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.711 15.922 0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.612 18.170 0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.397 16.607 0.105 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.222 15.808 2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.802 17.329 3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.123 17.031 1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.954 18.566 2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.256 17.298 3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.490 18.536 2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.349 16.981 2.388 1.00 0.00 H new ATOM 1060 N GLN A 68 -6.219 16.601 -2.745 1.00 0.00 N ATOM 1061 CA GLN A 68 -6.767 16.007 -3.955 1.00 0.00 C ATOM 1062 C GLN A 68 -5.683 15.266 -4.725 1.00 0.00 C ATOM 1063 O GLN A 68 -5.868 14.119 -5.131 1.00 0.00 O ATOM 1064 CB GLN A 68 -7.395 17.084 -4.840 1.00 0.00 C ATOM 1065 CG GLN A 68 -8.306 18.039 -4.086 1.00 0.00 C ATOM 1066 CD GLN A 68 -9.714 18.071 -4.649 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -10.661 17.612 -4.011 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -9.857 18.614 -5.853 1.00 0.00 N ATOM 0 H GLN A 68 -6.095 17.612 -2.789 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.539 15.294 -3.667 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.601 17.656 -5.320 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.966 16.602 -5.634 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.345 17.746 -3.037 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.882 19.043 -4.121 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -9.044 18.982 -6.346 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.780 18.663 -6.284 1.00 0.00 H new ATOM 1077 N GLU A 69 -4.549 15.928 -4.927 1.00 0.00 N ATOM 1078 CA GLU A 69 -3.438 15.329 -5.652 1.00 0.00 C ATOM 1079 C GLU A 69 -2.902 14.110 -4.913 1.00 0.00 C ATOM 1080 O GLU A 69 -2.404 13.169 -5.531 1.00 0.00 O ATOM 1081 CB GLU A 69 -2.320 16.351 -5.859 1.00 0.00 C ATOM 1082 CG GLU A 69 -2.648 17.409 -6.900 1.00 0.00 C ATOM 1083 CD GLU A 69 -2.114 17.059 -8.276 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -0.888 16.852 -8.401 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -2.921 16.992 -9.227 1.00 0.00 O ATOM 0 H GLU A 69 -4.376 16.878 -4.599 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.806 15.008 -6.626 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.107 16.841 -4.909 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.412 15.828 -6.158 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.729 17.536 -6.955 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.231 18.365 -6.585 1.00 0.00 H new ATOM 1092 N LEU A 70 -3.007 14.120 -3.588 1.00 0.00 N ATOM 1093 CA LEU A 70 -2.532 12.995 -2.797 1.00 0.00 C ATOM 1094 C LEU A 70 -3.483 11.819 -2.945 1.00 0.00 C ATOM 1095 O LEU A 70 -3.054 10.693 -3.200 1.00 0.00 O ATOM 1096 CB LEU A 70 -2.376 13.380 -1.319 1.00 0.00 C ATOM 1097 CG LEU A 70 -1.144 12.810 -0.600 1.00 0.00 C ATOM 1098 CD1 LEU A 70 0.020 12.601 -1.560 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -0.729 13.733 0.532 1.00 0.00 C ATOM 0 H LEU A 70 -3.411 14.884 -3.047 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.549 12.706 -3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.342 14.467 -1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.268 13.054 -0.783 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.416 11.837 -0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.873 12.197 -1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.275 11.902 -2.343 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.296 13.554 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.145 13.321 1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.485 14.716 0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.548 13.826 1.245 1.00 0.00 H new ATOM 1111 N ARG A 71 -4.777 12.082 -2.790 1.00 0.00 N ATOM 1112 CA ARG A 71 -5.774 11.026 -2.919 1.00 0.00 C ATOM 1113 C ARG A 71 -5.665 10.354 -4.285 1.00 0.00 C ATOM 1114 O ARG A 71 -5.795 9.134 -4.397 1.00 0.00 O ATOM 1115 CB ARG A 71 -7.189 11.575 -2.702 1.00 0.00 C ATOM 1116 CG ARG A 71 -7.669 12.515 -3.797 1.00 0.00 C ATOM 1117 CD ARG A 71 -9.186 12.534 -3.886 1.00 0.00 C ATOM 1118 NE ARG A 71 -9.801 13.000 -2.646 1.00 0.00 N ATOM 1119 CZ ARG A 71 -11.027 12.661 -2.250 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -11.779 11.859 -2.996 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -11.506 13.127 -1.105 1.00 0.00 N ATOM 0 H ARG A 71 -5.156 13.005 -2.578 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.579 10.281 -2.147 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.883 10.738 -2.627 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.220 12.101 -1.748 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.302 13.522 -3.601 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -7.251 12.204 -4.754 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.493 13.181 -4.708 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.548 11.532 -4.116 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.259 13.623 -2.047 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.419 11.498 -3.879 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.717 11.604 -2.685 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.936 13.745 -0.527 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.445 12.868 -0.802 1.00 0.00 H new ATOM 1135 N GLN A 72 -5.399 11.149 -5.321 1.00 0.00 N ATOM 1136 CA GLN A 72 -5.249 10.610 -6.664 1.00 0.00 C ATOM 1137 C GLN A 72 -3.902 9.912 -6.784 1.00 0.00 C ATOM 1138 O GLN A 72 -3.771 8.885 -7.451 1.00 0.00 O ATOM 1139 CB GLN A 72 -5.375 11.725 -7.712 1.00 0.00 C ATOM 1140 CG GLN A 72 -4.133 12.593 -7.849 1.00 0.00 C ATOM 1141 CD GLN A 72 -4.208 13.535 -9.035 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -3.372 13.482 -9.938 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -5.210 14.406 -9.037 1.00 0.00 N ATOM 0 H GLN A 72 -5.284 12.160 -5.253 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.043 9.886 -6.847 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.600 11.276 -8.679 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.222 12.360 -7.451 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -3.998 13.174 -6.937 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -3.257 11.953 -7.953 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -5.880 14.414 -8.268 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.310 15.067 -9.808 1.00 0.00 H new ATOM 1152 N GLU A 73 -2.903 10.481 -6.114 1.00 0.00 N ATOM 1153 CA GLU A 73 -1.561 9.923 -6.122 1.00 0.00 C ATOM 1154 C GLU A 73 -1.560 8.535 -5.498 1.00 0.00 C ATOM 1155 O GLU A 73 -0.934 7.613 -6.020 1.00 0.00 O ATOM 1156 CB GLU A 73 -0.596 10.839 -5.367 1.00 0.00 C ATOM 1157 CG GLU A 73 0.164 11.797 -6.268 1.00 0.00 C ATOM 1158 CD GLU A 73 0.941 11.082 -7.356 1.00 0.00 C ATOM 1159 OE1 GLU A 73 0.357 10.819 -8.429 1.00 0.00 O ATOM 1160 OE2 GLU A 73 2.134 10.784 -7.136 1.00 0.00 O ATOM 0 H GLU A 73 -3.002 11.331 -5.558 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.229 9.843 -7.157 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.156 11.414 -4.630 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.119 10.226 -4.818 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.538 12.493 -6.726 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.852 12.389 -5.664 1.00 0.00 H new ATOM 1167 N LEU A 74 -2.291 8.377 -4.395 1.00 0.00 N ATOM 1168 CA LEU A 74 -2.394 7.087 -3.732 1.00 0.00 C ATOM 1169 C LEU A 74 -3.164 6.110 -4.610 1.00 0.00 C ATOM 1170 O LEU A 74 -2.769 4.960 -4.777 1.00 0.00 O ATOM 1171 CB LEU A 74 -3.089 7.243 -2.376 1.00 0.00 C ATOM 1172 CG LEU A 74 -2.297 8.033 -1.333 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -3.218 8.540 -0.236 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -1.188 7.174 -0.746 1.00 0.00 C ATOM 0 H LEU A 74 -2.817 9.127 -3.946 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.391 6.695 -3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.049 7.735 -2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.300 6.251 -1.976 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.843 8.894 -1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.637 9.100 0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.977 9.190 -0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.701 7.694 0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.634 7.751 -0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.622 6.295 -0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.512 6.860 -1.541 1.00 0.00 H new ATOM 1186 N ASN A 75 -4.275 6.589 -5.163 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.123 5.771 -6.025 1.00 0.00 C ATOM 1188 C ASN A 75 -4.317 5.153 -7.163 1.00 0.00 C ATOM 1189 O ASN A 75 -4.538 4.003 -7.544 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.268 6.613 -6.594 1.00 0.00 C ATOM 1191 CG ASN A 75 -7.545 6.473 -5.791 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -8.377 5.609 -6.069 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -7.708 7.324 -4.784 1.00 0.00 N ATOM 0 H ASN A 75 -4.610 7.543 -5.029 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.537 4.963 -5.421 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -5.969 7.661 -6.615 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -6.456 6.315 -7.625 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.548 7.276 -4.207 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.993 8.025 -4.588 1.00 0.00 H new ATOM 1200 N THR A 76 -3.382 5.925 -7.701 1.00 0.00 N ATOM 1201 CA THR A 76 -2.540 5.459 -8.795 1.00 0.00 C ATOM 1202 C THR A 76 -1.396 4.594 -8.276 1.00 0.00 C ATOM 1203 O THR A 76 -0.965 3.650 -8.938 1.00 0.00 O ATOM 1204 CB THR A 76 -1.973 6.651 -9.569 1.00 0.00 C ATOM 1205 OG1 THR A 76 -1.879 7.791 -8.733 1.00 0.00 O ATOM 1206 CG2 THR A 76 -2.801 7.033 -10.773 1.00 0.00 C ATOM 0 H THR A 76 -3.187 6.879 -7.397 1.00 0.00 H new ATOM 0 HA THR A 76 -3.157 4.855 -9.460 1.00 0.00 H new ATOM 0 HB THR A 76 -0.990 6.330 -9.913 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.755 8.226 -8.674 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.342 7.885 -11.275 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.852 6.190 -11.462 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.808 7.300 -10.452 1.00 0.00 H new ATOM 1214 N LEU A 77 -0.899 4.939 -7.095 1.00 0.00 N ATOM 1215 CA LEU A 77 0.211 4.217 -6.485 1.00 0.00 C ATOM 1216 C LEU A 77 -0.224 2.861 -5.926 1.00 0.00 C ATOM 1217 O LEU A 77 0.579 1.933 -5.840 1.00 0.00 O ATOM 1218 CB LEU A 77 0.831 5.072 -5.379 1.00 0.00 C ATOM 1219 CG LEU A 77 2.167 5.720 -5.743 1.00 0.00 C ATOM 1220 CD1 LEU A 77 2.560 6.754 -4.701 1.00 0.00 C ATOM 1221 CD2 LEU A 77 3.249 4.662 -5.887 1.00 0.00 C ATOM 0 H LEU A 77 -1.249 5.718 -6.538 1.00 0.00 H new ATOM 0 HA LEU A 77 0.952 4.023 -7.261 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.125 5.856 -5.106 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.974 4.450 -4.495 1.00 0.00 H new ATOM 0 HG LEU A 77 2.055 6.228 -6.701 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.513 7.204 -4.977 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.794 7.528 -4.650 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.655 6.272 -3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.193 5.140 -6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.361 4.125 -4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.970 3.961 -6.673 1.00 0.00 H new ATOM 1233 N ALA A 78 -1.487 2.755 -5.533 1.00 0.00 N ATOM 1234 CA ALA A 78 -2.011 1.514 -4.967 1.00 0.00 C ATOM 1235 C ALA A 78 -2.245 0.447 -6.036 1.00 0.00 C ATOM 1236 O ALA A 78 -2.157 -0.748 -5.755 1.00 0.00 O ATOM 1237 CB ALA A 78 -3.302 1.789 -4.210 1.00 0.00 C ATOM 0 H ALA A 78 -2.169 3.511 -5.595 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.260 1.126 -4.279 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.684 0.858 -3.792 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.107 2.496 -3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.041 2.211 -4.892 1.00 0.00 H new ATOM 1243 N ASN A 79 -2.553 0.878 -7.255 1.00 0.00 N ATOM 1244 CA ASN A 79 -2.809 -0.056 -8.351 1.00 0.00 C ATOM 1245 C ASN A 79 -1.646 -1.034 -8.548 1.00 0.00 C ATOM 1246 O ASN A 79 -1.857 -2.244 -8.624 1.00 0.00 O ATOM 1247 CB ASN A 79 -3.074 0.711 -9.648 1.00 0.00 C ATOM 1248 CG ASN A 79 -4.537 0.691 -10.044 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -5.375 1.324 -9.399 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -4.854 -0.037 -11.108 1.00 0.00 N ATOM 0 H ASN A 79 -2.632 1.862 -7.510 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.692 -0.638 -8.088 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.747 1.744 -9.529 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.477 0.278 -10.451 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.824 -0.088 -11.421 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.128 -0.545 -11.613 1.00 0.00 H new ATOM 1257 N PRO A 80 -0.401 -0.529 -8.641 1.00 0.00 N ATOM 1258 CA PRO A 80 0.779 -1.378 -8.838 1.00 0.00 C ATOM 1259 C PRO A 80 1.097 -2.241 -7.620 1.00 0.00 C ATOM 1260 O PRO A 80 1.511 -3.395 -7.758 1.00 0.00 O ATOM 1261 CB PRO A 80 1.906 -0.375 -9.095 1.00 0.00 C ATOM 1262 CG PRO A 80 1.451 0.883 -8.445 1.00 0.00 C ATOM 1263 CD PRO A 80 -0.047 0.901 -8.578 1.00 0.00 C ATOM 0 HA PRO A 80 0.630 -2.089 -9.651 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.848 -0.721 -8.670 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.072 -0.231 -10.163 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.750 0.911 -7.397 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.896 1.754 -8.927 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.520 1.395 -7.729 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.365 1.434 -9.474 1.00 0.00 H new ATOM 1271 N PHE A 81 0.895 -1.690 -6.424 1.00 0.00 N ATOM 1272 CA PHE A 81 1.154 -2.422 -5.190 1.00 0.00 C ATOM 1273 C PHE A 81 0.220 -3.621 -5.082 1.00 0.00 C ATOM 1274 O PHE A 81 0.660 -4.754 -4.881 1.00 0.00 O ATOM 1275 CB PHE A 81 0.969 -1.480 -3.994 1.00 0.00 C ATOM 1276 CG PHE A 81 0.862 -2.160 -2.654 1.00 0.00 C ATOM 1277 CD1 PHE A 81 1.481 -3.378 -2.415 1.00 0.00 C ATOM 1278 CD2 PHE A 81 0.146 -1.565 -1.626 1.00 0.00 C ATOM 1279 CE1 PHE A 81 1.385 -3.989 -1.179 1.00 0.00 C ATOM 1280 CE2 PHE A 81 0.046 -2.169 -0.390 1.00 0.00 C ATOM 1281 CZ PHE A 81 0.666 -3.382 -0.164 1.00 0.00 C ATOM 0 H PHE A 81 0.553 -0.739 -6.286 1.00 0.00 H new ATOM 0 HA PHE A 81 2.179 -2.793 -5.195 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.809 -0.786 -3.965 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.069 -0.886 -4.155 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.044 -3.854 -3.204 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.340 -0.616 -1.796 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.870 -4.938 -1.006 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.517 -1.694 0.400 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.590 -3.856 0.803 1.00 0.00 H new ATOM 1291 N LEU A 82 -1.076 -3.360 -5.224 1.00 0.00 N ATOM 1292 CA LEU A 82 -2.077 -4.414 -5.150 1.00 0.00 C ATOM 1293 C LEU A 82 -1.794 -5.499 -6.180 1.00 0.00 C ATOM 1294 O LEU A 82 -2.140 -6.662 -5.975 1.00 0.00 O ATOM 1295 CB LEU A 82 -3.479 -3.838 -5.365 1.00 0.00 C ATOM 1296 CG LEU A 82 -3.980 -2.915 -4.252 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -5.406 -2.472 -4.530 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -3.889 -3.611 -2.901 1.00 0.00 C ATOM 0 H LEU A 82 -1.455 -2.428 -5.391 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.029 -4.858 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.488 -3.286 -6.305 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.181 -4.664 -5.474 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.345 -2.030 -4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.746 -1.816 -3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.442 -1.935 -5.478 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.055 -3.346 -4.583 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.249 -2.940 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.500 -4.513 -2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.852 -3.879 -2.699 1.00 0.00 H new ATOM 1310 N ALA A 83 -1.154 -5.122 -7.283 1.00 0.00 N ATOM 1311 CA ALA A 83 -0.819 -6.077 -8.328 1.00 0.00 C ATOM 1312 C ALA A 83 0.288 -7.010 -7.858 1.00 0.00 C ATOM 1313 O ALA A 83 0.198 -8.226 -8.015 1.00 0.00 O ATOM 1314 CB ALA A 83 -0.399 -5.352 -9.598 1.00 0.00 C ATOM 0 H ALA A 83 -0.859 -4.164 -7.474 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.705 -6.673 -8.548 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.152 -6.082 -10.369 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.218 -4.721 -9.944 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.474 -4.733 -9.392 1.00 0.00 H new ATOM 1320 N LYS A 84 1.332 -6.431 -7.267 1.00 0.00 N ATOM 1321 CA LYS A 84 2.450 -7.221 -6.760 1.00 0.00 C ATOM 1322 C LYS A 84 1.955 -8.252 -5.753 1.00 0.00 C ATOM 1323 O LYS A 84 2.368 -9.413 -5.779 1.00 0.00 O ATOM 1324 CB LYS A 84 3.493 -6.316 -6.098 1.00 0.00 C ATOM 1325 CG LYS A 84 4.283 -5.473 -7.086 1.00 0.00 C ATOM 1326 CD LYS A 84 5.278 -6.316 -7.867 1.00 0.00 C ATOM 1327 CE LYS A 84 6.456 -6.735 -7.001 1.00 0.00 C ATOM 1328 NZ LYS A 84 6.833 -8.158 -7.227 1.00 0.00 N ATOM 0 H LYS A 84 1.426 -5.425 -7.129 1.00 0.00 H new ATOM 0 HA LYS A 84 2.913 -7.735 -7.602 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.992 -5.656 -5.390 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.185 -6.933 -5.525 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.598 -4.983 -7.778 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.813 -4.685 -6.551 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.778 -7.203 -8.256 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.640 -5.751 -8.726 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.311 -6.094 -7.217 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.205 -6.588 -5.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.639 -8.404 -6.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.026 -8.772 -6.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.098 -8.293 -8.224 1.00 0.00 H new ATOM 1342 N TYR A 85 1.056 -7.820 -4.876 1.00 0.00 N ATOM 1343 CA TYR A 85 0.500 -8.713 -3.870 1.00 0.00 C ATOM 1344 C TYR A 85 -0.529 -9.647 -4.492 1.00 0.00 C ATOM 1345 O TYR A 85 -0.662 -10.797 -4.081 1.00 0.00 O ATOM 1346 CB TYR A 85 -0.119 -7.928 -2.714 1.00 0.00 C ATOM 1347 CG TYR A 85 0.234 -8.505 -1.363 1.00 0.00 C ATOM 1348 CD1 TYR A 85 1.562 -8.668 -0.986 1.00 0.00 C ATOM 1349 CD2 TYR A 85 -0.754 -8.899 -0.470 1.00 0.00 C ATOM 1350 CE1 TYR A 85 1.895 -9.205 0.243 1.00 0.00 C ATOM 1351 CE2 TYR A 85 -0.429 -9.437 0.761 1.00 0.00 C ATOM 1352 CZ TYR A 85 0.896 -9.588 1.112 1.00 0.00 C ATOM 1353 OH TYR A 85 1.223 -10.124 2.337 1.00 0.00 O ATOM 0 H TYR A 85 0.700 -6.865 -4.842 1.00 0.00 H new ATOM 0 HA TYR A 85 1.317 -9.313 -3.469 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.218 -6.892 -2.762 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.203 -7.916 -2.828 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.347 -8.370 -1.665 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -1.793 -8.783 -0.742 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.932 -9.324 0.521 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.209 -9.738 1.445 1.00 0.00 H new ATOM 0 HH TYR A 85 2.077 -9.751 2.640 1.00 0.00 H new ATOM 1363 N ARG A 86 -1.247 -9.152 -5.495 1.00 0.00 N ATOM 1364 CA ARG A 86 -2.250 -9.959 -6.176 1.00 0.00 C ATOM 1365 C ARG A 86 -1.582 -11.123 -6.899 1.00 0.00 C ATOM 1366 O ARG A 86 -2.062 -12.255 -6.849 1.00 0.00 O ATOM 1367 CB ARG A 86 -3.046 -9.105 -7.165 1.00 0.00 C ATOM 1368 CG ARG A 86 -4.328 -8.539 -6.577 1.00 0.00 C ATOM 1369 CD ARG A 86 -5.237 -7.970 -7.655 1.00 0.00 C ATOM 1370 NE ARG A 86 -6.434 -7.354 -7.088 1.00 0.00 N ATOM 1371 CZ ARG A 86 -7.546 -7.117 -7.781 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -7.617 -7.440 -9.067 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -8.590 -6.556 -7.187 1.00 0.00 N ATOM 0 H ARG A 86 -1.153 -8.201 -5.852 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.941 -10.356 -5.432 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.419 -8.283 -7.510 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.291 -9.708 -8.039 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.855 -9.322 -6.032 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.084 -7.758 -5.857 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.689 -7.230 -8.238 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.528 -8.765 -8.341 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.417 -7.090 -6.103 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.817 -7.872 -9.529 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -8.472 -7.256 -9.593 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.541 -6.306 -6.199 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.442 -6.374 -7.718 1.00 0.00 H new ATOM 1387 N ASP A 87 -0.457 -10.838 -7.548 1.00 0.00 N ATOM 1388 CA ASP A 87 0.299 -11.862 -8.260 1.00 0.00 C ATOM 1389 C ASP A 87 0.996 -12.775 -7.260 1.00 0.00 C ATOM 1390 O ASP A 87 1.135 -13.978 -7.482 1.00 0.00 O ATOM 1391 CB ASP A 87 1.329 -11.215 -9.191 1.00 0.00 C ATOM 1392 CG ASP A 87 1.374 -11.879 -10.553 1.00 0.00 C ATOM 1393 OD1 ASP A 87 0.423 -11.685 -11.340 1.00 0.00 O ATOM 1394 OD2 ASP A 87 2.358 -12.595 -10.834 1.00 0.00 O ATOM 0 H ASP A 87 -0.049 -9.905 -7.595 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.389 -12.453 -8.864 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.092 -10.158 -9.313 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.316 -11.269 -8.731 1.00 0.00 H new ATOM 1399 N PHE A 88 1.415 -12.185 -6.147 1.00 0.00 N ATOM 1400 CA PHE A 88 2.085 -12.913 -5.077 1.00 0.00 C ATOM 1401 C PHE A 88 1.099 -13.822 -4.345 1.00 0.00 C ATOM 1402 O PHE A 88 1.473 -14.869 -3.817 1.00 0.00 O ATOM 1403 CB PHE A 88 2.716 -11.924 -4.097 1.00 0.00 C ATOM 1404 CG PHE A 88 3.692 -12.548 -3.143 1.00 0.00 C ATOM 1405 CD1 PHE A 88 4.586 -13.517 -3.573 1.00 0.00 C ATOM 1406 CD2 PHE A 88 3.718 -12.158 -1.815 1.00 0.00 C ATOM 1407 CE1 PHE A 88 5.487 -14.086 -2.692 1.00 0.00 C ATOM 1408 CE2 PHE A 88 4.616 -12.723 -0.932 1.00 0.00 C ATOM 1409 CZ PHE A 88 5.501 -13.688 -1.370 1.00 0.00 C ATOM 0 H PHE A 88 1.300 -11.189 -5.961 1.00 0.00 H new ATOM 0 HA PHE A 88 2.866 -13.536 -5.513 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.225 -11.143 -4.662 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.924 -11.440 -3.526 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.578 -13.830 -4.607 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.028 -11.404 -1.466 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.179 -14.840 -3.037 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.626 -12.410 0.102 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.203 -14.131 -0.679 1.00 0.00 H new ATOM 1419 N LEU A 89 -0.166 -13.413 -4.337 1.00 0.00 N ATOM 1420 CA LEU A 89 -1.214 -14.196 -3.692 1.00 0.00 C ATOM 1421 C LEU A 89 -1.624 -15.364 -4.589 1.00 0.00 C ATOM 1422 O LEU A 89 -1.779 -16.496 -4.130 1.00 0.00 O ATOM 1423 CB LEU A 89 -2.427 -13.311 -3.389 1.00 0.00 C ATOM 1424 CG LEU A 89 -2.520 -12.793 -1.950 1.00 0.00 C ATOM 1425 CD1 LEU A 89 -1.184 -12.225 -1.488 1.00 0.00 C ATOM 1426 CD2 LEU A 89 -3.611 -11.740 -1.837 1.00 0.00 C ATOM 0 H LEU A 89 -0.489 -12.547 -4.768 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.828 -14.592 -2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.409 -12.456 -4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.332 -13.875 -3.613 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.774 -13.632 -1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.277 -11.864 -0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.423 -13.004 -1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.895 -11.400 -2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.665 -11.381 -0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.382 -10.906 -2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.569 -12.177 -2.120 1.00 0.00 H new ATOM 1438 N LYS A 90 -1.811 -15.064 -5.870 1.00 0.00 N ATOM 1439 CA LYS A 90 -2.220 -16.072 -6.844 1.00 0.00 C ATOM 1440 C LYS A 90 -1.069 -17.011 -7.194 1.00 0.00 C ATOM 1441 O LYS A 90 -1.281 -18.201 -7.432 1.00 0.00 O ATOM 1442 CB LYS A 90 -2.771 -15.411 -8.113 1.00 0.00 C ATOM 1443 CG LYS A 90 -1.767 -14.533 -8.843 1.00 0.00 C ATOM 1444 CD LYS A 90 -1.817 -14.757 -10.346 1.00 0.00 C ATOM 1445 CE LYS A 90 -1.250 -16.115 -10.730 1.00 0.00 C ATOM 1446 NZ LYS A 90 -2.312 -17.046 -11.200 1.00 0.00 N ATOM 0 H LYS A 90 -1.686 -14.130 -6.259 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.012 -16.666 -6.387 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.119 -16.189 -8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.639 -14.808 -7.848 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.972 -13.485 -8.624 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.763 -14.745 -8.476 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.848 -14.682 -10.691 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.254 -13.972 -10.850 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.504 -15.989 -11.515 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.739 -16.551 -9.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.906 -17.720 -11.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.702 -17.565 -10.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.070 -16.503 -11.661 1.00 0.00 H new ATOM 1460 N SER A 91 0.145 -16.475 -7.236 1.00 0.00 N ATOM 1461 CA SER A 91 1.320 -17.274 -7.571 1.00 0.00 C ATOM 1462 C SER A 91 1.804 -18.103 -6.381 1.00 0.00 C ATOM 1463 O SER A 91 2.688 -18.946 -6.528 1.00 0.00 O ATOM 1464 CB SER A 91 2.450 -16.368 -8.062 1.00 0.00 C ATOM 1465 OG SER A 91 3.541 -17.130 -8.551 1.00 0.00 O ATOM 0 H SER A 91 0.342 -15.493 -7.043 1.00 0.00 H new ATOM 0 HA SER A 91 1.031 -17.964 -8.364 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.078 -15.713 -8.850 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.787 -15.727 -7.247 1.00 0.00 H new ATOM 0 HG SER A 91 3.581 -17.986 -8.076 1.00 0.00 H new ATOM 1471 N HIS A 92 1.233 -17.862 -5.203 1.00 0.00 N ATOM 1472 CA HIS A 92 1.630 -18.597 -4.006 1.00 0.00 C ATOM 1473 C HIS A 92 0.986 -19.980 -3.962 1.00 0.00 C ATOM 1474 O HIS A 92 -0.223 -20.110 -3.768 1.00 0.00 O ATOM 1475 CB HIS A 92 1.266 -17.810 -2.746 1.00 0.00 C ATOM 1476 CG HIS A 92 2.420 -17.629 -1.809 1.00 0.00 C ATOM 1477 ND1 HIS A 92 3.401 -16.679 -1.998 1.00 0.00 N ATOM 1478 CD2 HIS A 92 2.753 -18.291 -0.676 1.00 0.00 C ATOM 1479 CE1 HIS A 92 4.288 -16.765 -1.022 1.00 0.00 C ATOM 1480 NE2 HIS A 92 3.918 -17.734 -0.206 1.00 0.00 N ATOM 0 H HIS A 92 0.500 -17.169 -5.053 1.00 0.00 H new ATOM 0 HA HIS A 92 2.712 -18.727 -4.044 1.00 0.00 H new ATOM 0 HB2 HIS A 92 0.884 -16.831 -3.035 1.00 0.00 H new ATOM 0 HB3 HIS A 92 0.460 -18.325 -2.224 1.00 0.00 H new ATOM 0 HD1 HIS A 92 3.437 -16.014 -2.770 1.00 0.00 H new ATOM 0 HD2 HIS A 92 2.205 -19.105 -0.225 1.00 0.00 H new ATOM 0 HE1 HIS A 92 5.167 -16.147 -0.911 1.00 0.00 H new ATOM 1489 N GLU A 93 1.814 -21.009 -4.103 1.00 0.00 N ATOM 1490 CA GLU A 93 1.357 -22.391 -4.037 1.00 0.00 C ATOM 1491 C GLU A 93 2.102 -23.121 -2.923 1.00 0.00 C ATOM 1492 O GLU A 93 3.332 -23.168 -2.938 1.00 0.00 O ATOM 1493 CB GLU A 93 1.586 -23.099 -5.375 1.00 0.00 C ATOM 1494 CG GLU A 93 0.361 -23.111 -6.274 1.00 0.00 C ATOM 1495 CD GLU A 93 0.547 -23.985 -7.499 1.00 0.00 C ATOM 1496 OE1 GLU A 93 1.520 -23.757 -8.248 1.00 0.00 O ATOM 1497 OE2 GLU A 93 -0.280 -24.897 -7.709 1.00 0.00 O ATOM 0 H GLU A 93 2.816 -20.909 -4.265 1.00 0.00 H new ATOM 0 HA GLU A 93 0.288 -22.400 -3.824 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.407 -22.610 -5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.897 -24.126 -5.185 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.499 -23.466 -5.706 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.136 -22.092 -6.590 1.00 0.00 H new ATOM 1504 N LEU A 94 1.385 -23.690 -1.957 1.00 0.00 N ATOM 1505 CA LEU A 94 2.039 -24.401 -0.864 1.00 0.00 C ATOM 1506 C LEU A 94 1.740 -25.895 -0.931 1.00 0.00 C ATOM 1507 O LEU A 94 2.670 -26.696 -0.705 1.00 0.00 O ATOM 1508 CB LEU A 94 1.583 -23.839 0.485 1.00 0.00 C ATOM 1509 CG LEU A 94 1.825 -22.340 0.680 1.00 0.00 C ATOM 1510 CD1 LEU A 94 0.544 -21.555 0.440 1.00 0.00 C ATOM 1511 CD2 LEU A 94 2.367 -22.064 2.075 1.00 0.00 C ATOM 1512 OXT LEU A 94 0.575 -26.252 -1.209 1.00 0.00 O ATOM 0 H LEU A 94 0.366 -23.673 -1.909 1.00 0.00 H new ATOM 0 HA LEU A 94 3.115 -24.258 -0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.518 -24.037 0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.097 -24.380 1.279 1.00 0.00 H new ATOM 0 HG LEU A 94 2.568 -22.015 -0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.737 -20.492 0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.198 -21.727 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.221 -21.883 1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.533 -20.993 2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.648 -22.406 2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.309 -22.595 2.211 1.00 0.00 H new TER 1524 LEU A 94