USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 600 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 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -2.88 K(o=-2.9,f=-12!) USER MOD Single : A 14 LYS NZ :NH3+ -157:sc= -1.26 (180deg=-1.84) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00664 USER MOD Single : A 18 SER OG : rot 180:sc=-0.00573 USER MOD Single : A 19 GLN : amide:sc= -9.2! C(o=-9.2!,f=-15!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -5:sc= 0.00139 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -117:sc= -7.75! (180deg=-10.6!) USER MOD Single : A 29 TYR OH : rot -15:sc= -2.4! USER MOD Single : A 32 SER OG : rot -108:sc= 0.0631 USER MOD Single : A 37 GLN :FLIP amide:sc= -3.21! C(o=-13!,f=-3.2!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 143:sc= -0.274 USER MOD Single : A 43 LYS NZ :NH3+ 173:sc= 0.707 (180deg=0.693) USER MOD Single : A 47 THR OG1 : rot -15:sc= 0.836 USER MOD Single : A 54 LYS NZ :NH3+ -116:sc= -1.31 (180deg=-1.69) USER MOD Single : A 57 CYS SG : rot 12:sc= 0.632 USER MOD Single : A 59 SER OG : rot -172:sc= 0.95 USER MOD Single : A 63 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 69 LYS NZ :NH3+ 160:sc= -0.311 (180deg=-1.12) USER MOD Single : A 72 HIS : no HD1:sc=-0.00483 X(o=-0.0048,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 3 -17.277 13.965 8.863 1.00 0.00 N ATOM 2 CA GLU A 3 -16.959 13.214 10.111 1.00 0.00 C ATOM 3 C GLU A 3 -15.615 12.502 9.948 1.00 0.00 C ATOM 4 O GLU A 3 -14.618 13.106 9.603 1.00 0.00 O ATOM 5 CB GLU A 3 -18.054 12.178 10.377 1.00 0.00 C ATOM 6 CG GLU A 3 -19.387 12.890 10.598 1.00 0.00 C ATOM 7 CD GLU A 3 -19.917 13.404 9.258 1.00 0.00 C ATOM 8 OE1 GLU A 3 -20.069 12.597 8.356 1.00 0.00 O ATOM 9 OE2 GLU A 3 -20.154 14.596 9.154 1.00 0.00 O ATOM 0 HA GLU A 3 -16.905 13.909 10.949 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -18.132 11.491 9.534 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -17.799 11.581 11.252 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -20.107 12.206 11.048 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -19.258 13.720 11.293 1.00 0.00 H new ATOM 16 N LYS A 4 -15.582 11.222 10.195 1.00 0.00 N ATOM 17 CA LYS A 4 -14.310 10.459 10.053 1.00 0.00 C ATOM 18 C LYS A 4 -14.164 9.995 8.603 1.00 0.00 C ATOM 19 O LYS A 4 -15.139 9.804 7.903 1.00 0.00 O ATOM 20 CB LYS A 4 -14.346 9.240 10.979 1.00 0.00 C ATOM 21 CG LYS A 4 -12.927 8.657 11.137 1.00 0.00 C ATOM 22 CD LYS A 4 -12.182 9.377 12.284 1.00 0.00 C ATOM 23 CE LYS A 4 -12.447 8.666 13.622 1.00 0.00 C ATOM 24 NZ LYS A 4 -11.409 7.619 13.836 1.00 0.00 N ATOM 0 H LYS A 4 -16.386 10.668 10.491 1.00 0.00 H new ATOM 0 HA LYS A 4 -13.465 11.094 10.321 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -14.742 9.525 11.954 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.016 8.483 10.572 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.985 7.589 11.345 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.373 8.771 10.205 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.112 9.392 12.078 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -12.510 10.415 12.345 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.428 9.386 14.440 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.439 8.215 13.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.585 7.136 14.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.448 6.927 13.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.468 8.062 13.857 1.00 0.00 H new ATOM 38 N ARG A 5 -12.958 9.807 8.143 1.00 0.00 N ATOM 39 CA ARG A 5 -12.760 9.355 6.738 1.00 0.00 C ATOM 40 C ARG A 5 -12.880 7.827 6.679 1.00 0.00 C ATOM 41 O ARG A 5 -12.386 7.120 7.535 1.00 0.00 O ATOM 42 CB ARG A 5 -11.365 9.784 6.268 1.00 0.00 C ATOM 43 CG ARG A 5 -11.283 9.748 4.734 1.00 0.00 C ATOM 44 CD ARG A 5 -11.950 10.991 4.127 1.00 0.00 C ATOM 45 NE ARG A 5 -11.516 11.142 2.713 1.00 0.00 N ATOM 46 CZ ARG A 5 -12.204 11.889 1.896 1.00 0.00 C ATOM 47 NH1 ARG A 5 -13.312 12.452 2.296 1.00 0.00 N ATOM 48 NH2 ARG A 5 -11.786 12.064 0.673 1.00 0.00 N ATOM 0 H ARG A 5 -12.102 9.947 8.679 1.00 0.00 H new ATOM 0 HA ARG A 5 -13.515 9.801 6.091 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.147 10.790 6.627 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.611 9.123 6.695 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.240 9.699 4.421 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.770 8.848 4.360 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -13.035 10.897 4.178 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -11.680 11.879 4.699 1.00 0.00 H new ATOM 0 HE ARG A 5 -10.680 10.661 2.382 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -13.642 12.308 3.250 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -13.848 13.036 1.654 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -10.924 11.617 0.360 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -12.321 12.648 0.030 1.00 0.00 H new ATOM 62 N ARG A 6 -13.536 7.313 5.671 1.00 0.00 N ATOM 63 CA ARG A 6 -13.696 5.828 5.536 1.00 0.00 C ATOM 64 C ARG A 6 -13.633 5.447 4.053 1.00 0.00 C ATOM 65 O ARG A 6 -13.593 6.298 3.189 1.00 0.00 O ATOM 66 CB ARG A 6 -15.047 5.397 6.109 1.00 0.00 C ATOM 67 CG ARG A 6 -15.076 5.670 7.612 1.00 0.00 C ATOM 68 CD ARG A 6 -16.312 5.007 8.213 1.00 0.00 C ATOM 69 NE ARG A 6 -16.450 5.416 9.637 1.00 0.00 N ATOM 70 CZ ARG A 6 -17.566 5.195 10.275 1.00 0.00 C ATOM 71 NH1 ARG A 6 -18.562 4.612 9.667 1.00 0.00 N ATOM 72 NH2 ARG A 6 -17.683 5.558 11.522 1.00 0.00 N ATOM 0 H ARG A 6 -13.972 7.860 4.929 1.00 0.00 H new ATOM 0 HA ARG A 6 -12.896 5.328 6.083 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -15.853 5.940 5.615 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -15.213 4.337 5.918 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -14.173 5.281 8.083 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -15.096 6.744 7.799 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -17.201 5.295 7.653 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -16.228 3.923 8.141 1.00 0.00 H new ATOM 0 HE ARG A 6 -15.671 5.870 10.115 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -18.469 4.328 8.692 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -19.434 4.440 10.167 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -16.903 6.013 11.996 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -18.555 5.387 12.023 1.00 0.00 H new ATOM 86 N ASP A 7 -13.617 4.173 3.744 1.00 0.00 N ATOM 87 CA ASP A 7 -13.548 3.753 2.310 1.00 0.00 C ATOM 88 C ASP A 7 -14.954 3.674 1.721 1.00 0.00 C ATOM 89 O ASP A 7 -15.908 4.170 2.286 1.00 0.00 O ATOM 90 CB ASP A 7 -12.879 2.380 2.188 1.00 0.00 C ATOM 91 CG ASP A 7 -13.733 1.316 2.881 1.00 0.00 C ATOM 92 OD1 ASP A 7 -14.719 1.682 3.494 1.00 0.00 O ATOM 93 OD2 ASP A 7 -13.380 0.150 2.787 1.00 0.00 O ATOM 0 H ASP A 7 -13.649 3.409 4.419 1.00 0.00 H new ATOM 0 HA ASP A 7 -12.961 4.491 1.764 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.747 2.123 1.137 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -11.886 2.409 2.637 1.00 0.00 H new ATOM 98 N ASN A 8 -15.080 3.050 0.586 1.00 0.00 N ATOM 99 CA ASN A 8 -16.413 2.923 -0.060 1.00 0.00 C ATOM 100 C ASN A 8 -17.312 2.031 0.800 1.00 0.00 C ATOM 101 O ASN A 8 -18.518 2.041 0.664 1.00 0.00 O ATOM 102 CB ASN A 8 -16.236 2.311 -1.450 1.00 0.00 C ATOM 103 CG ASN A 8 -15.405 1.034 -1.335 1.00 0.00 C ATOM 104 OD1 ASN A 8 -15.409 0.386 -0.309 1.00 0.00 O ATOM 105 ND2 ASN A 8 -14.675 0.650 -2.348 1.00 0.00 N ATOM 0 H ASN A 8 -14.310 2.619 0.074 1.00 0.00 H new ATOM 0 HA ASN A 8 -16.878 3.904 -0.155 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -17.209 2.088 -1.889 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -15.743 3.022 -2.113 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.108 -0.195 -2.277 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -14.672 1.195 -3.210 1.00 0.00 H new ATOM 112 N ARG A 9 -16.731 1.262 1.691 1.00 0.00 N ATOM 113 CA ARG A 9 -17.541 0.370 2.577 1.00 0.00 C ATOM 114 C ARG A 9 -17.615 0.986 3.979 1.00 0.00 C ATOM 115 O ARG A 9 -18.593 1.606 4.345 1.00 0.00 O ATOM 116 CB ARG A 9 -16.868 -1.007 2.665 1.00 0.00 C ATOM 117 CG ARG A 9 -17.178 -1.844 1.410 1.00 0.00 C ATOM 118 CD ARG A 9 -16.820 -3.323 1.664 1.00 0.00 C ATOM 119 NE ARG A 9 -16.144 -3.881 0.454 1.00 0.00 N ATOM 120 CZ ARG A 9 -16.662 -3.729 -0.732 1.00 0.00 C ATOM 121 NH1 ARG A 9 -17.858 -3.223 -0.868 1.00 0.00 N ATOM 122 NH2 ARG A 9 -15.999 -4.121 -1.784 1.00 0.00 N ATOM 0 H ARG A 9 -15.723 1.215 1.842 1.00 0.00 H new ATOM 0 HA ARG A 9 -18.545 0.261 2.168 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -15.790 -0.885 2.770 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -17.217 -1.532 3.554 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -18.234 -1.755 1.155 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -16.611 -1.464 0.560 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -16.166 -3.407 2.532 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -17.721 -3.894 1.888 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.265 -4.388 0.558 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -18.391 -2.945 -0.044 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -18.259 -3.106 -1.798 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -15.078 -4.545 -1.677 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -16.402 -4.003 -2.714 1.00 0.00 H new ATOM 136 N GLY A 10 -16.586 0.815 4.762 1.00 0.00 N ATOM 137 CA GLY A 10 -16.585 1.385 6.141 1.00 0.00 C ATOM 138 C GLY A 10 -15.253 1.057 6.819 1.00 0.00 C ATOM 139 O GLY A 10 -15.185 0.817 8.007 1.00 0.00 O ATOM 0 H GLY A 10 -15.742 0.303 4.506 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.731 2.464 6.101 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.412 0.973 6.719 1.00 0.00 H new ATOM 143 N ARG A 11 -14.192 1.036 6.059 1.00 0.00 N ATOM 144 CA ARG A 11 -12.851 0.719 6.631 1.00 0.00 C ATOM 145 C ARG A 11 -12.154 2.003 7.085 1.00 0.00 C ATOM 146 O ARG A 11 -12.050 2.955 6.335 1.00 0.00 O ATOM 147 CB ARG A 11 -11.984 0.077 5.547 1.00 0.00 C ATOM 148 CG ARG A 11 -12.574 -1.265 5.094 1.00 0.00 C ATOM 149 CD ARG A 11 -12.190 -2.384 6.071 1.00 0.00 C ATOM 150 NE ARG A 11 -12.543 -3.690 5.439 1.00 0.00 N ATOM 151 CZ ARG A 11 -12.252 -4.822 6.025 1.00 0.00 C ATOM 152 NH1 ARG A 11 -11.707 -4.824 7.213 1.00 0.00 N ATOM 153 NH2 ARG A 11 -12.522 -5.952 5.431 1.00 0.00 N ATOM 0 H ARG A 11 -14.197 1.227 5.057 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.983 0.046 7.478 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.905 0.750 4.693 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.974 -0.076 5.927 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.659 -1.188 5.030 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.213 -1.508 4.095 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.124 -2.345 6.295 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.719 -2.263 7.016 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.018 -3.699 4.537 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.508 -3.942 7.684 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.481 -5.708 7.669 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.960 -5.952 4.510 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.295 -6.835 5.888 1.00 0.00 H new ATOM 167 N ILE A 12 -11.633 2.033 8.282 1.00 0.00 N ATOM 168 CA ILE A 12 -10.903 3.252 8.731 1.00 0.00 C ATOM 169 C ILE A 12 -9.497 3.193 8.121 1.00 0.00 C ATOM 170 O ILE A 12 -8.677 2.389 8.518 1.00 0.00 O ATOM 171 CB ILE A 12 -10.778 3.274 10.261 1.00 0.00 C ATOM 172 CG1 ILE A 12 -12.174 3.236 10.930 1.00 0.00 C ATOM 173 CG2 ILE A 12 -10.012 4.533 10.683 1.00 0.00 C ATOM 174 CD1 ILE A 12 -12.829 4.628 10.961 1.00 0.00 C ATOM 0 H ILE A 12 -11.680 1.274 8.962 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.442 4.145 8.415 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.232 2.389 10.588 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.818 2.543 10.389 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.080 2.856 11.947 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.919 4.556 11.769 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.019 4.522 10.234 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.553 5.418 10.347 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -13.807 4.560 11.438 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -12.198 5.315 11.525 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.947 4.997 9.942 1.00 0.00 H new ATOM 186 N LEU A 13 -9.213 4.017 7.147 1.00 0.00 N ATOM 187 CA LEU A 13 -7.861 3.977 6.503 1.00 0.00 C ATOM 188 C LEU A 13 -6.886 4.888 7.249 1.00 0.00 C ATOM 189 O LEU A 13 -7.278 5.812 7.935 1.00 0.00 O ATOM 190 CB LEU A 13 -7.972 4.447 5.044 1.00 0.00 C ATOM 191 CG LEU A 13 -9.218 3.819 4.361 1.00 0.00 C ATOM 192 CD1 LEU A 13 -10.348 4.853 4.283 1.00 0.00 C ATOM 193 CD2 LEU A 13 -8.865 3.343 2.938 1.00 0.00 C ATOM 0 H LEU A 13 -9.854 4.714 6.769 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.489 2.953 6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.042 5.534 5.011 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.071 4.168 4.497 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.545 2.965 4.954 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.218 4.405 3.803 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.615 5.177 5.289 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.015 5.713 3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.747 2.905 2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.524 4.191 2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.074 2.595 2.990 1.00 0.00 H new ATOM 205 N LYS A 14 -5.612 4.629 7.111 1.00 0.00 N ATOM 206 CA LYS A 14 -4.593 5.471 7.802 1.00 0.00 C ATOM 207 C LYS A 14 -4.241 6.659 6.904 1.00 0.00 C ATOM 208 O LYS A 14 -4.613 6.713 5.749 1.00 0.00 O ATOM 209 CB LYS A 14 -3.323 4.638 8.072 1.00 0.00 C ATOM 210 CG LYS A 14 -3.688 3.160 8.275 1.00 0.00 C ATOM 211 CD LYS A 14 -4.658 3.002 9.455 1.00 0.00 C ATOM 212 CE LYS A 14 -4.012 3.514 10.749 1.00 0.00 C ATOM 213 NZ LYS A 14 -2.559 3.187 10.748 1.00 0.00 N ATOM 0 H LYS A 14 -5.233 3.868 6.547 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.994 5.827 8.751 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.630 4.737 7.236 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.812 5.018 8.956 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.143 2.764 7.367 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.785 2.578 8.459 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.576 3.554 9.256 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.935 1.954 9.569 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.152 4.592 10.835 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.496 3.059 11.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.207 3.167 11.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.413 2.256 10.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.041 3.910 10.209 1.00 0.00 H new ATOM 227 N THR A 15 -3.511 7.600 7.422 1.00 0.00 N ATOM 228 CA THR A 15 -3.118 8.775 6.598 1.00 0.00 C ATOM 229 C THR A 15 -2.468 8.284 5.301 1.00 0.00 C ATOM 230 O THR A 15 -1.677 7.359 5.305 1.00 0.00 O ATOM 231 CB THR A 15 -2.117 9.634 7.378 1.00 0.00 C ATOM 232 OG1 THR A 15 -2.606 9.842 8.694 1.00 0.00 O ATOM 233 CG2 THR A 15 -1.944 10.987 6.683 1.00 0.00 C ATOM 0 H THR A 15 -3.167 7.608 8.382 1.00 0.00 H new ATOM 0 HA THR A 15 -4.000 9.371 6.364 1.00 0.00 H new ATOM 0 HB THR A 15 -1.155 9.123 7.417 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.968 10.390 9.197 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.231 11.594 7.241 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.573 10.831 5.670 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.905 11.501 6.642 1.00 0.00 H new ATOM 241 N GLY A 16 -2.779 8.901 4.193 1.00 0.00 N ATOM 242 CA GLY A 16 -2.163 8.482 2.894 1.00 0.00 C ATOM 243 C GLY A 16 -3.071 7.496 2.157 1.00 0.00 C ATOM 244 O GLY A 16 -3.461 7.727 1.031 1.00 0.00 O ATOM 0 H GLY A 16 -3.435 9.680 4.128 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.987 9.358 2.270 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.192 8.022 3.078 1.00 0.00 H new ATOM 248 N GLU A 17 -3.398 6.396 2.771 1.00 0.00 N ATOM 249 CA GLU A 17 -4.266 5.392 2.098 1.00 0.00 C ATOM 250 C GLU A 17 -5.535 6.070 1.556 1.00 0.00 C ATOM 251 O GLU A 17 -6.097 6.944 2.183 1.00 0.00 O ATOM 252 CB GLU A 17 -4.646 4.321 3.120 1.00 0.00 C ATOM 253 CG GLU A 17 -3.446 3.407 3.399 1.00 0.00 C ATOM 254 CD GLU A 17 -3.906 2.197 4.214 1.00 0.00 C ATOM 255 OE1 GLU A 17 -4.950 2.290 4.837 1.00 0.00 O ATOM 256 OE2 GLU A 17 -3.207 1.197 4.200 1.00 0.00 O ATOM 0 H GLU A 17 -3.100 6.147 3.714 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.732 4.940 1.262 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.977 4.792 4.046 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.483 3.731 2.746 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.999 3.078 2.461 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.677 3.955 3.943 1.00 0.00 H new ATOM 263 N SER A 18 -5.995 5.662 0.397 1.00 0.00 N ATOM 264 CA SER A 18 -7.236 6.277 -0.180 1.00 0.00 C ATOM 265 C SER A 18 -7.941 5.259 -1.086 1.00 0.00 C ATOM 266 O SER A 18 -7.316 4.408 -1.685 1.00 0.00 O ATOM 267 CB SER A 18 -6.873 7.521 -0.998 1.00 0.00 C ATOM 268 OG SER A 18 -6.342 8.513 -0.133 1.00 0.00 O ATOM 0 H SER A 18 -5.568 4.933 -0.174 1.00 0.00 H new ATOM 0 HA SER A 18 -7.901 6.565 0.634 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.144 7.265 -1.767 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.756 7.904 -1.510 1.00 0.00 H new ATOM 0 HG SER A 18 -6.107 9.309 -0.654 1.00 0.00 H new ATOM 274 N GLN A 19 -9.247 5.340 -1.184 1.00 0.00 N ATOM 275 CA GLN A 19 -10.008 4.374 -2.040 1.00 0.00 C ATOM 276 C GLN A 19 -10.245 4.986 -3.426 1.00 0.00 C ATOM 277 O GLN A 19 -10.573 6.150 -3.550 1.00 0.00 O ATOM 278 CB GLN A 19 -11.355 4.061 -1.364 1.00 0.00 C ATOM 279 CG GLN A 19 -12.128 3.011 -2.173 1.00 0.00 C ATOM 280 CD GLN A 19 -11.349 1.694 -2.198 1.00 0.00 C ATOM 281 OE1 GLN A 19 -10.447 1.525 -2.994 1.00 0.00 O ATOM 282 NE2 GLN A 19 -11.660 0.745 -1.359 1.00 0.00 N ATOM 0 H GLN A 19 -9.820 6.036 -0.707 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.436 3.453 -2.157 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.185 3.696 -0.351 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.947 4.972 -1.279 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.112 2.853 -1.733 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.288 3.368 -3.190 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.417 0.884 -0.689 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.146 -0.136 -1.372 1.00 0.00 H new ATOM 291 N ARG A 20 -10.087 4.206 -4.471 1.00 0.00 N ATOM 292 CA ARG A 20 -10.314 4.743 -5.849 1.00 0.00 C ATOM 293 C ARG A 20 -11.819 4.715 -6.134 1.00 0.00 C ATOM 294 O ARG A 20 -12.617 4.351 -5.296 1.00 0.00 O ATOM 295 CB ARG A 20 -9.572 3.865 -6.902 1.00 0.00 C ATOM 296 CG ARG A 20 -8.275 4.538 -7.405 1.00 0.00 C ATOM 297 CD ARG A 20 -7.835 3.911 -8.746 1.00 0.00 C ATOM 298 NE ARG A 20 -8.948 3.986 -9.736 1.00 0.00 N ATOM 299 CZ ARG A 20 -8.719 3.789 -11.012 1.00 0.00 C ATOM 300 NH1 ARG A 20 -7.502 3.572 -11.440 1.00 0.00 N ATOM 301 NH2 ARG A 20 -9.710 3.814 -11.858 1.00 0.00 N ATOM 0 H ARG A 20 -9.812 3.225 -4.428 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.930 5.761 -5.913 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.331 2.897 -6.462 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.234 3.676 -7.747 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.437 5.608 -7.531 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.485 4.421 -6.664 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.960 4.434 -9.131 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.544 2.872 -8.592 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.895 4.192 -9.418 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.725 3.555 -10.780 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.331 3.419 -12.434 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.659 3.986 -11.527 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.536 3.661 -12.851 1.00 0.00 H new ATOM 315 N LYS A 21 -12.194 5.094 -7.317 1.00 0.00 N ATOM 316 CA LYS A 21 -13.631 5.100 -7.690 1.00 0.00 C ATOM 317 C LYS A 21 -14.106 3.667 -7.980 1.00 0.00 C ATOM 318 O LYS A 21 -15.280 3.368 -7.881 1.00 0.00 O ATOM 319 CB LYS A 21 -13.788 5.977 -8.940 1.00 0.00 C ATOM 320 CG LYS A 21 -15.273 6.076 -9.377 1.00 0.00 C ATOM 321 CD LYS A 21 -15.570 5.083 -10.516 1.00 0.00 C ATOM 322 CE LYS A 21 -15.075 5.646 -11.855 1.00 0.00 C ATOM 323 NZ LYS A 21 -16.089 6.590 -12.401 1.00 0.00 N ATOM 0 H LYS A 21 -11.559 5.404 -8.052 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.235 5.496 -6.874 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.399 6.975 -8.738 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.194 5.562 -9.754 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.923 5.868 -8.527 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.494 7.091 -9.706 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.083 4.129 -10.312 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.641 4.889 -10.569 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.123 6.158 -11.717 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.901 4.834 -12.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.754 6.972 -13.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.988 6.088 -12.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.234 7.371 -11.729 1.00 0.00 H new ATOM 337 N ASP A 22 -13.216 2.778 -8.359 1.00 0.00 N ATOM 338 CA ASP A 22 -13.650 1.378 -8.675 1.00 0.00 C ATOM 339 C ASP A 22 -13.604 0.481 -7.427 1.00 0.00 C ATOM 340 O ASP A 22 -14.375 -0.452 -7.319 1.00 0.00 O ATOM 341 CB ASP A 22 -12.753 0.797 -9.769 1.00 0.00 C ATOM 342 CG ASP A 22 -11.291 0.876 -9.349 1.00 0.00 C ATOM 343 OD1 ASP A 22 -11.014 1.491 -8.332 1.00 0.00 O ATOM 344 OD2 ASP A 22 -10.475 0.316 -10.053 1.00 0.00 O ATOM 0 H ASP A 22 -12.217 2.959 -8.462 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.682 1.412 -9.025 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.028 -0.240 -9.962 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.901 1.344 -10.700 1.00 0.00 H new ATOM 349 N GLY A 23 -12.739 0.754 -6.472 1.00 0.00 N ATOM 350 CA GLY A 23 -12.698 -0.095 -5.232 1.00 0.00 C ATOM 351 C GLY A 23 -11.258 -0.427 -4.830 1.00 0.00 C ATOM 352 O GLY A 23 -10.981 -0.675 -3.674 1.00 0.00 O ATOM 0 H GLY A 23 -12.066 1.520 -6.497 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.194 0.428 -4.414 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.252 -1.018 -5.403 1.00 0.00 H new ATOM 356 N ARG A 24 -10.332 -0.447 -5.749 1.00 0.00 N ATOM 357 CA ARG A 24 -8.936 -0.776 -5.343 1.00 0.00 C ATOM 358 C ARG A 24 -8.417 0.333 -4.429 1.00 0.00 C ATOM 359 O ARG A 24 -8.602 1.507 -4.684 1.00 0.00 O ATOM 360 CB ARG A 24 -8.022 -0.931 -6.572 1.00 0.00 C ATOM 361 CG ARG A 24 -8.551 -0.092 -7.723 1.00 0.00 C ATOM 362 CD ARG A 24 -7.515 -0.083 -8.839 1.00 0.00 C ATOM 363 NE ARG A 24 -8.141 0.495 -10.054 1.00 0.00 N ATOM 364 CZ ARG A 24 -7.424 0.759 -11.102 1.00 0.00 C ATOM 365 NH1 ARG A 24 -6.143 0.514 -11.094 1.00 0.00 N ATOM 366 NH2 ARG A 24 -7.992 1.265 -12.161 1.00 0.00 N ATOM 0 H ARG A 24 -10.475 -0.255 -6.740 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.932 -1.728 -4.811 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.007 -0.621 -6.322 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.972 -1.979 -6.868 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.494 -0.501 -8.086 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.753 0.925 -7.387 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.645 0.504 -8.544 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.163 -1.095 -9.038 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.143 0.686 -10.065 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.705 0.115 -10.264 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.579 0.722 -11.918 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.995 1.451 -12.162 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.433 1.475 -12.988 1.00 0.00 H new ATOM 380 N TYR A 25 -7.770 -0.039 -3.366 1.00 0.00 N ATOM 381 CA TYR A 25 -7.233 0.971 -2.424 1.00 0.00 C ATOM 382 C TYR A 25 -6.029 1.659 -3.058 1.00 0.00 C ATOM 383 O TYR A 25 -5.579 1.279 -4.120 1.00 0.00 O ATOM 384 CB TYR A 25 -6.801 0.270 -1.142 1.00 0.00 C ATOM 385 CG TYR A 25 -8.009 -0.362 -0.485 1.00 0.00 C ATOM 386 CD1 TYR A 25 -9.012 0.453 0.058 1.00 0.00 C ATOM 387 CD2 TYR A 25 -8.128 -1.757 -0.421 1.00 0.00 C ATOM 388 CE1 TYR A 25 -10.134 -0.127 0.662 1.00 0.00 C ATOM 389 CE2 TYR A 25 -9.252 -2.334 0.184 1.00 0.00 C ATOM 390 CZ TYR A 25 -10.255 -1.518 0.723 1.00 0.00 C ATOM 391 OH TYR A 25 -11.365 -2.089 1.311 1.00 0.00 O ATOM 0 H TYR A 25 -7.589 -1.009 -3.108 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.998 1.714 -2.198 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.054 -0.492 -1.365 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -6.335 0.984 -0.463 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.919 1.528 0.010 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.355 -2.386 -0.837 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.906 0.501 1.081 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.345 -3.409 0.235 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.929 -1.386 1.697 1.00 0.00 H new ATOM 401 N LEU A 26 -5.499 2.674 -2.424 1.00 0.00 N ATOM 402 CA LEU A 26 -4.323 3.381 -3.011 1.00 0.00 C ATOM 403 C LEU A 26 -3.471 4.012 -1.907 1.00 0.00 C ATOM 404 O LEU A 26 -3.949 4.780 -1.095 1.00 0.00 O ATOM 405 CB LEU A 26 -4.832 4.468 -3.975 1.00 0.00 C ATOM 406 CG LEU A 26 -3.686 5.398 -4.408 1.00 0.00 C ATOM 407 CD1 LEU A 26 -2.545 4.577 -5.020 1.00 0.00 C ATOM 408 CD2 LEU A 26 -4.216 6.391 -5.449 1.00 0.00 C ATOM 0 H LEU A 26 -5.828 3.041 -1.531 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.701 2.668 -3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.278 4.001 -4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.616 5.051 -3.491 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.308 5.936 -3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.739 5.245 -5.323 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.171 3.868 -4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.914 4.034 -5.890 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.410 7.055 -5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.593 5.845 -6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.022 6.980 -5.012 1.00 0.00 H new ATOM 420 N TYR A 27 -2.197 3.713 -1.909 1.00 0.00 N ATOM 421 CA TYR A 27 -1.260 4.302 -0.906 1.00 0.00 C ATOM 422 C TYR A 27 -0.061 4.882 -1.665 1.00 0.00 C ATOM 423 O TYR A 27 0.266 4.436 -2.745 1.00 0.00 O ATOM 424 CB TYR A 27 -0.791 3.228 0.081 1.00 0.00 C ATOM 425 CG TYR A 27 0.101 3.872 1.111 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.462 4.698 2.088 1.00 0.00 C ATOM 427 CD2 TYR A 27 1.484 3.651 1.092 1.00 0.00 C ATOM 428 CE1 TYR A 27 0.353 5.307 3.047 1.00 0.00 C ATOM 429 CE2 TYR A 27 2.301 4.260 2.052 1.00 0.00 C ATOM 430 CZ TYR A 27 1.733 5.086 3.029 1.00 0.00 C ATOM 431 OH TYR A 27 2.538 5.686 3.976 1.00 0.00 O ATOM 0 H TYR A 27 -1.760 3.075 -2.574 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.763 5.084 -0.336 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.648 2.759 0.564 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.252 2.441 -0.446 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.529 4.866 2.102 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.919 3.012 0.338 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.083 5.947 3.800 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.368 4.093 2.039 1.00 0.00 H new ATOM 0 HH TYR A 27 3.471 5.428 3.823 1.00 0.00 H new ATOM 441 N LYS A 28 0.575 5.892 -1.124 1.00 0.00 N ATOM 442 CA LYS A 28 1.738 6.536 -1.822 1.00 0.00 C ATOM 443 C LYS A 28 2.973 6.531 -0.904 1.00 0.00 C ATOM 444 O LYS A 28 2.890 6.842 0.268 1.00 0.00 O ATOM 445 CB LYS A 28 1.329 7.978 -2.194 1.00 0.00 C ATOM 446 CG LYS A 28 2.555 8.820 -2.644 1.00 0.00 C ATOM 447 CD LYS A 28 2.945 9.850 -1.560 1.00 0.00 C ATOM 448 CE LYS A 28 4.434 10.172 -1.665 1.00 0.00 C ATOM 449 NZ LYS A 28 5.186 9.104 -0.960 1.00 0.00 N ATOM 0 H LYS A 28 0.338 6.303 -0.221 1.00 0.00 H new ATOM 0 HA LYS A 28 1.999 5.984 -2.725 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.590 7.952 -2.995 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.854 8.455 -1.337 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.399 8.161 -2.846 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.324 9.336 -3.576 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.357 10.760 -1.682 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.718 9.454 -0.570 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.739 10.226 -2.710 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.646 11.144 -1.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.698 9.515 -0.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.522 8.381 -0.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.865 8.667 -1.615 1.00 0.00 H new ATOM 463 N TYR A 29 4.126 6.172 -1.439 1.00 0.00 N ATOM 464 CA TYR A 29 5.384 6.138 -0.615 1.00 0.00 C ATOM 465 C TYR A 29 6.553 6.696 -1.441 1.00 0.00 C ATOM 466 O TYR A 29 6.470 6.803 -2.649 1.00 0.00 O ATOM 467 CB TYR A 29 5.704 4.685 -0.198 1.00 0.00 C ATOM 468 CG TYR A 29 6.331 3.918 -1.354 1.00 0.00 C ATOM 469 CD1 TYR A 29 5.524 3.391 -2.369 1.00 0.00 C ATOM 470 CD2 TYR A 29 7.724 3.744 -1.407 1.00 0.00 C ATOM 471 CE1 TYR A 29 6.105 2.690 -3.434 1.00 0.00 C ATOM 472 CE2 TYR A 29 8.303 3.046 -2.474 1.00 0.00 C ATOM 473 CZ TYR A 29 7.493 2.521 -3.487 1.00 0.00 C ATOM 474 OH TYR A 29 8.065 1.840 -4.544 1.00 0.00 O ATOM 0 H TYR A 29 4.247 5.901 -2.415 1.00 0.00 H new ATOM 0 HA TYR A 29 5.240 6.745 0.278 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.384 4.687 0.654 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.791 4.184 0.124 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.453 3.525 -2.331 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.349 4.149 -0.624 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.481 2.280 -4.214 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.374 2.913 -2.515 1.00 0.00 H new ATOM 0 HH TYR A 29 7.372 1.344 -5.027 1.00 0.00 H new ATOM 484 N ILE A 30 7.650 7.025 -0.800 1.00 0.00 N ATOM 485 CA ILE A 30 8.843 7.551 -1.543 1.00 0.00 C ATOM 486 C ILE A 30 9.908 6.459 -1.610 1.00 0.00 C ATOM 487 O ILE A 30 10.152 5.762 -0.645 1.00 0.00 O ATOM 488 CB ILE A 30 9.400 8.781 -0.820 1.00 0.00 C ATOM 489 CG1 ILE A 30 8.362 9.902 -0.923 1.00 0.00 C ATOM 490 CG2 ILE A 30 10.719 9.216 -1.473 1.00 0.00 C ATOM 491 CD1 ILE A 30 8.785 11.120 -0.105 1.00 0.00 C ATOM 0 H ILE A 30 7.772 6.952 0.210 1.00 0.00 H new ATOM 0 HA ILE A 30 8.552 7.838 -2.553 1.00 0.00 H new ATOM 0 HB ILE A 30 9.598 8.550 0.227 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.234 10.188 -1.967 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.396 9.541 -0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.110 10.091 -0.955 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.442 8.403 -1.409 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.543 9.463 -2.520 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.029 11.900 -0.197 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.889 10.837 0.942 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.739 11.494 -0.476 1.00 0.00 H new ATOM 503 N ASP A 31 10.539 6.299 -2.740 1.00 0.00 N ATOM 504 CA ASP A 31 11.586 5.250 -2.865 1.00 0.00 C ATOM 505 C ASP A 31 12.908 5.795 -2.327 1.00 0.00 C ATOM 506 O ASP A 31 13.011 6.945 -1.952 1.00 0.00 O ATOM 507 CB ASP A 31 11.738 4.869 -4.334 1.00 0.00 C ATOM 508 CG ASP A 31 11.720 6.139 -5.171 1.00 0.00 C ATOM 509 OD1 ASP A 31 12.057 7.179 -4.630 1.00 0.00 O ATOM 510 OD2 ASP A 31 11.372 6.051 -6.336 1.00 0.00 O ATOM 0 H ASP A 31 10.374 6.850 -3.582 1.00 0.00 H new ATOM 0 HA ASP A 31 11.302 4.367 -2.292 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.671 4.327 -4.489 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.929 4.205 -4.638 1.00 0.00 H new ATOM 515 N SER A 32 13.920 4.981 -2.272 1.00 0.00 N ATOM 516 CA SER A 32 15.229 5.458 -1.743 1.00 0.00 C ATOM 517 C SER A 32 15.838 6.518 -2.667 1.00 0.00 C ATOM 518 O SER A 32 16.963 6.932 -2.463 1.00 0.00 O ATOM 519 CB SER A 32 16.198 4.282 -1.630 1.00 0.00 C ATOM 520 OG SER A 32 16.375 3.689 -2.912 1.00 0.00 O ATOM 0 H SER A 32 13.900 4.006 -2.570 1.00 0.00 H new ATOM 0 HA SER A 32 15.059 5.900 -0.761 1.00 0.00 H new ATOM 0 HB2 SER A 32 17.157 4.623 -1.240 1.00 0.00 H new ATOM 0 HB3 SER A 32 15.811 3.545 -0.926 1.00 0.00 H new ATOM 0 HG SER A 32 15.921 2.821 -2.937 1.00 0.00 H new ATOM 526 N PHE A 33 15.130 6.956 -3.688 1.00 0.00 N ATOM 527 CA PHE A 33 15.712 7.975 -4.617 1.00 0.00 C ATOM 528 C PHE A 33 15.135 9.364 -4.306 1.00 0.00 C ATOM 529 O PHE A 33 15.718 10.370 -4.659 1.00 0.00 O ATOM 530 CB PHE A 33 15.402 7.564 -6.058 1.00 0.00 C ATOM 531 CG PHE A 33 15.636 6.072 -6.200 1.00 0.00 C ATOM 532 CD1 PHE A 33 16.894 5.528 -5.901 1.00 0.00 C ATOM 533 CD2 PHE A 33 14.594 5.227 -6.608 1.00 0.00 C ATOM 534 CE1 PHE A 33 17.108 4.147 -6.014 1.00 0.00 C ATOM 535 CE2 PHE A 33 14.808 3.846 -6.716 1.00 0.00 C ATOM 536 CZ PHE A 33 16.065 3.307 -6.420 1.00 0.00 C ATOM 0 H PHE A 33 14.183 6.652 -3.913 1.00 0.00 H new ATOM 0 HA PHE A 33 16.793 8.025 -4.485 1.00 0.00 H new ATOM 0 HB2 PHE A 33 14.370 7.810 -6.307 1.00 0.00 H new ATOM 0 HB3 PHE A 33 16.037 8.114 -6.753 1.00 0.00 H new ATOM 0 HD1 PHE A 33 17.699 6.174 -5.583 1.00 0.00 H new ATOM 0 HD2 PHE A 33 13.624 5.641 -6.840 1.00 0.00 H new ATOM 0 HE1 PHE A 33 18.079 3.731 -5.788 1.00 0.00 H new ATOM 0 HE2 PHE A 33 14.002 3.198 -7.028 1.00 0.00 H new ATOM 0 HZ PHE A 33 16.230 2.243 -6.505 1.00 0.00 H new ATOM 546 N GLY A 34 14.016 9.433 -3.617 1.00 0.00 N ATOM 547 CA GLY A 34 13.431 10.768 -3.248 1.00 0.00 C ATOM 548 C GLY A 34 12.216 11.081 -4.115 1.00 0.00 C ATOM 549 O GLY A 34 11.498 12.032 -3.871 1.00 0.00 O ATOM 0 H GLY A 34 13.483 8.625 -3.295 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.143 10.767 -2.197 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.183 11.547 -3.372 1.00 0.00 H new ATOM 553 N GLU A 35 11.973 10.302 -5.127 1.00 0.00 N ATOM 554 CA GLU A 35 10.796 10.575 -6.005 1.00 0.00 C ATOM 555 C GLU A 35 9.555 9.865 -5.423 1.00 0.00 C ATOM 556 O GLU A 35 9.674 8.805 -4.846 1.00 0.00 O ATOM 557 CB GLU A 35 11.104 10.052 -7.406 1.00 0.00 C ATOM 558 CG GLU A 35 11.355 8.550 -7.343 1.00 0.00 C ATOM 559 CD GLU A 35 11.822 8.051 -8.711 1.00 0.00 C ATOM 560 OE1 GLU A 35 11.391 8.613 -9.703 1.00 0.00 O ATOM 561 OE2 GLU A 35 12.604 7.114 -8.742 1.00 0.00 O ATOM 0 H GLU A 35 12.533 9.490 -5.387 1.00 0.00 H new ATOM 0 HA GLU A 35 10.594 11.645 -6.056 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.271 10.265 -8.077 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.978 10.561 -7.812 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.108 8.328 -6.587 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.444 8.031 -7.047 1.00 0.00 H new ATOM 568 N PRO A 36 8.373 10.438 -5.560 1.00 0.00 N ATOM 569 CA PRO A 36 7.113 9.827 -5.018 1.00 0.00 C ATOM 570 C PRO A 36 6.584 8.680 -5.897 1.00 0.00 C ATOM 571 O PRO A 36 6.548 8.790 -7.107 1.00 0.00 O ATOM 572 CB PRO A 36 6.131 11.001 -5.039 1.00 0.00 C ATOM 573 CG PRO A 36 6.561 11.807 -6.218 1.00 0.00 C ATOM 574 CD PRO A 36 8.091 11.720 -6.240 1.00 0.00 C ATOM 0 HA PRO A 36 7.265 9.382 -4.035 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.101 10.659 -5.143 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.182 11.582 -4.118 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.133 11.413 -7.140 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.228 12.841 -6.128 1.00 0.00 H new ATOM 0 HD2 PRO A 36 8.479 11.728 -7.259 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.548 12.560 -5.718 1.00 0.00 H new ATOM 582 N GLN A 37 6.158 7.588 -5.297 1.00 0.00 N ATOM 583 CA GLN A 37 5.610 6.429 -6.091 1.00 0.00 C ATOM 584 C GLN A 37 4.174 6.133 -5.623 1.00 0.00 C ATOM 585 O GLN A 37 3.684 6.730 -4.687 1.00 0.00 O ATOM 586 CB GLN A 37 6.508 5.183 -5.871 1.00 0.00 C ATOM 587 CG GLN A 37 7.149 4.730 -7.194 1.00 0.00 C ATOM 588 CD GLN A 37 8.067 5.825 -7.741 1.00 0.00 C ATOM 589 OE1 GLN A 37 8.208 6.936 -7.078 1.00 0.00 O flip ATOM 590 NE2 GLN A 37 8.671 5.660 -8.784 1.00 0.00 N flip ATOM 0 H GLN A 37 6.166 7.447 -4.287 1.00 0.00 H new ATOM 0 HA GLN A 37 5.600 6.677 -7.152 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.287 5.415 -5.145 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.914 4.370 -5.453 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.718 3.814 -7.035 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.372 4.500 -7.923 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.561 4.790 -9.305 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.287 6.392 -9.138 1.00 0.00 H new ATOM 599 N PHE A 38 3.498 5.215 -6.277 1.00 0.00 N ATOM 600 CA PHE A 38 2.097 4.878 -5.881 1.00 0.00 C ATOM 601 C PHE A 38 1.862 3.364 -5.967 1.00 0.00 C ATOM 602 O PHE A 38 2.412 2.684 -6.811 1.00 0.00 O ATOM 603 CB PHE A 38 1.142 5.600 -6.822 1.00 0.00 C ATOM 604 CG PHE A 38 1.238 7.085 -6.578 1.00 0.00 C ATOM 605 CD1 PHE A 38 0.425 7.689 -5.612 1.00 0.00 C ATOM 606 CD2 PHE A 38 2.147 7.855 -7.313 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.520 9.065 -5.380 1.00 0.00 C ATOM 608 CE2 PHE A 38 2.243 9.232 -7.080 1.00 0.00 C ATOM 609 CZ PHE A 38 1.429 9.837 -6.113 1.00 0.00 C ATOM 0 H PHE A 38 3.860 4.685 -7.070 1.00 0.00 H new ATOM 0 HA PHE A 38 1.925 5.193 -4.852 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.391 5.372 -7.858 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.121 5.257 -6.657 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.275 7.093 -5.046 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.773 7.388 -8.059 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.108 9.532 -4.635 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.944 9.828 -7.645 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.503 10.899 -5.933 1.00 0.00 H new ATOM 619 N VAL A 39 1.040 2.838 -5.085 1.00 0.00 N ATOM 620 CA VAL A 39 0.737 1.371 -5.078 1.00 0.00 C ATOM 621 C VAL A 39 -0.780 1.168 -4.987 1.00 0.00 C ATOM 622 O VAL A 39 -1.476 1.899 -4.314 1.00 0.00 O ATOM 623 CB VAL A 39 1.425 0.705 -3.867 1.00 0.00 C ATOM 624 CG1 VAL A 39 2.818 0.199 -4.256 1.00 0.00 C ATOM 625 CG2 VAL A 39 1.561 1.733 -2.744 1.00 0.00 C ATOM 0 H VAL A 39 0.561 3.373 -4.361 1.00 0.00 H new ATOM 0 HA VAL A 39 1.110 0.917 -5.996 1.00 0.00 H new ATOM 0 HB VAL A 39 0.822 -0.140 -3.535 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.290 -0.268 -3.392 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.728 -0.532 -5.059 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.428 1.037 -4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.046 1.271 -1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.162 2.574 -3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.572 2.089 -2.455 1.00 0.00 H new ATOM 635 N TYR A 40 -1.285 0.165 -5.658 1.00 0.00 N ATOM 636 CA TYR A 40 -2.752 -0.124 -5.634 1.00 0.00 C ATOM 637 C TYR A 40 -2.982 -1.567 -5.173 1.00 0.00 C ATOM 638 O TYR A 40 -2.097 -2.396 -5.241 1.00 0.00 O ATOM 639 CB TYR A 40 -3.309 0.036 -7.045 1.00 0.00 C ATOM 640 CG TYR A 40 -3.169 1.472 -7.496 1.00 0.00 C ATOM 641 CD1 TYR A 40 -1.928 1.956 -7.931 1.00 0.00 C ATOM 642 CD2 TYR A 40 -4.285 2.311 -7.494 1.00 0.00 C ATOM 643 CE1 TYR A 40 -1.807 3.283 -8.363 1.00 0.00 C ATOM 644 CE2 TYR A 40 -4.166 3.634 -7.921 1.00 0.00 C ATOM 645 CZ TYR A 40 -2.928 4.123 -8.360 1.00 0.00 C ATOM 646 OH TYR A 40 -2.814 5.430 -8.790 1.00 0.00 O ATOM 0 H TYR A 40 -0.735 -0.476 -6.230 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.250 0.564 -4.950 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.778 -0.623 -7.732 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.358 -0.260 -7.067 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.065 1.306 -7.933 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.241 1.935 -7.162 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.851 3.658 -8.698 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.030 4.283 -7.913 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.686 5.873 -8.724 1.00 0.00 H new ATOM 656 N SER A 41 -4.165 -1.872 -4.713 1.00 0.00 N ATOM 657 CA SER A 41 -4.453 -3.267 -4.256 1.00 0.00 C ATOM 658 C SER A 41 -5.960 -3.435 -4.025 1.00 0.00 C ATOM 659 O SER A 41 -6.663 -2.483 -3.753 1.00 0.00 O ATOM 660 CB SER A 41 -3.703 -3.549 -2.952 1.00 0.00 C ATOM 661 OG SER A 41 -3.916 -4.903 -2.574 1.00 0.00 O ATOM 0 H SER A 41 -4.945 -1.219 -4.633 1.00 0.00 H new ATOM 0 HA SER A 41 -4.123 -3.969 -5.022 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.638 -3.359 -3.083 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.052 -2.880 -2.166 1.00 0.00 H new ATOM 0 HG SER A 41 -3.093 -5.268 -2.186 1.00 0.00 H new ATOM 667 N TRP A 42 -6.462 -4.641 -4.139 1.00 0.00 N ATOM 668 CA TRP A 42 -7.922 -4.880 -3.935 1.00 0.00 C ATOM 669 C TRP A 42 -8.172 -5.387 -2.516 1.00 0.00 C ATOM 670 O TRP A 42 -9.230 -5.904 -2.210 1.00 0.00 O ATOM 671 CB TRP A 42 -8.396 -5.937 -4.925 1.00 0.00 C ATOM 672 CG TRP A 42 -8.367 -5.372 -6.297 1.00 0.00 C ATOM 673 CD1 TRP A 42 -7.401 -5.613 -7.204 1.00 0.00 C ATOM 674 CD2 TRP A 42 -9.326 -4.482 -6.941 1.00 0.00 C ATOM 675 NE1 TRP A 42 -7.696 -4.929 -8.362 1.00 0.00 N ATOM 676 CE2 TRP A 42 -8.874 -4.219 -8.252 1.00 0.00 C ATOM 677 CE3 TRP A 42 -10.531 -3.884 -6.522 1.00 0.00 C ATOM 678 CZ2 TRP A 42 -9.583 -3.394 -9.120 1.00 0.00 C ATOM 679 CZ3 TRP A 42 -11.252 -3.051 -7.395 1.00 0.00 C ATOM 680 CH2 TRP A 42 -10.778 -2.807 -8.692 1.00 0.00 C ATOM 0 H TRP A 42 -5.918 -5.474 -4.366 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.464 -3.947 -4.089 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.756 -6.818 -4.868 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.406 -6.260 -4.674 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.536 -6.241 -7.048 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.114 -4.945 -9.200 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.903 -4.067 -5.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -9.213 -3.208 -10.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.175 -2.597 -7.065 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -11.335 -2.166 -9.360 1.00 0.00 H new ATOM 691 N LYS A 43 -7.210 -5.255 -1.645 1.00 0.00 N ATOM 692 CA LYS A 43 -7.392 -5.737 -0.241 1.00 0.00 C ATOM 693 C LYS A 43 -6.745 -4.738 0.720 1.00 0.00 C ATOM 694 O LYS A 43 -5.751 -4.110 0.413 1.00 0.00 O ATOM 695 CB LYS A 43 -6.746 -7.132 -0.085 1.00 0.00 C ATOM 696 CG LYS A 43 -5.639 -7.299 -1.133 1.00 0.00 C ATOM 697 CD LYS A 43 -4.743 -8.500 -0.797 1.00 0.00 C ATOM 698 CE LYS A 43 -5.399 -9.809 -1.255 1.00 0.00 C ATOM 699 NZ LYS A 43 -4.788 -10.950 -0.518 1.00 0.00 N ATOM 0 H LYS A 43 -6.302 -4.833 -1.843 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.454 -5.817 -0.010 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.333 -7.244 0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.499 -7.910 -0.208 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.084 -7.436 -2.119 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.036 -6.392 -1.179 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.774 -8.384 -1.282 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.560 -8.535 0.277 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.473 -9.775 -1.070 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.264 -9.941 -2.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.309 -11.823 -0.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.795 -11.058 -0.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.834 -10.767 0.505 1.00 0.00 H new ATOM 713 N LEU A 44 -7.313 -4.589 1.885 1.00 0.00 N ATOM 714 CA LEU A 44 -6.752 -3.634 2.881 1.00 0.00 C ATOM 715 C LEU A 44 -5.728 -4.362 3.751 1.00 0.00 C ATOM 716 O LEU A 44 -4.623 -3.898 3.948 1.00 0.00 O ATOM 717 CB LEU A 44 -7.888 -3.101 3.763 1.00 0.00 C ATOM 718 CG LEU A 44 -7.346 -2.098 4.792 1.00 0.00 C ATOM 719 CD1 LEU A 44 -6.789 -0.855 4.079 1.00 0.00 C ATOM 720 CD2 LEU A 44 -8.492 -1.680 5.715 1.00 0.00 C ATOM 0 H LEU A 44 -8.147 -5.091 2.191 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.269 -2.803 2.367 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.644 -2.621 3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.377 -3.929 4.276 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.545 -2.562 5.367 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.408 -0.151 4.819 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.981 -1.151 3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.583 -0.380 3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.124 -0.967 6.453 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.283 -1.216 5.126 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.887 -2.558 6.225 1.00 0.00 H new ATOM 732 N VAL A 45 -6.097 -5.506 4.271 1.00 0.00 N ATOM 733 CA VAL A 45 -5.170 -6.301 5.138 1.00 0.00 C ATOM 734 C VAL A 45 -4.918 -7.666 4.482 1.00 0.00 C ATOM 735 O VAL A 45 -5.529 -8.012 3.491 1.00 0.00 O ATOM 736 CB VAL A 45 -5.801 -6.491 6.524 1.00 0.00 C ATOM 737 CG1 VAL A 45 -5.639 -5.209 7.347 1.00 0.00 C ATOM 738 CG2 VAL A 45 -7.292 -6.800 6.370 1.00 0.00 C ATOM 0 H VAL A 45 -7.014 -5.930 4.130 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.223 -5.774 5.251 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.303 -7.317 7.032 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.088 -5.349 8.330 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.579 -4.982 7.461 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.134 -4.383 6.836 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.739 -6.935 7.355 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.784 -5.973 5.858 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.416 -7.713 5.787 1.00 0.00 H new ATOM 748 N ALA A 46 -3.997 -8.425 5.012 1.00 0.00 N ATOM 749 CA ALA A 46 -3.663 -9.752 4.409 1.00 0.00 C ATOM 750 C ALA A 46 -4.785 -10.777 4.624 1.00 0.00 C ATOM 751 O ALA A 46 -4.828 -11.792 3.958 1.00 0.00 O ATOM 752 CB ALA A 46 -2.371 -10.275 5.041 1.00 0.00 C ATOM 0 H ALA A 46 -3.457 -8.183 5.843 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.539 -9.615 3.335 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.120 -11.243 4.607 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.561 -9.570 4.850 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.511 -10.385 6.116 1.00 0.00 H new ATOM 758 N THR A 47 -5.684 -10.546 5.545 1.00 0.00 N ATOM 759 CA THR A 47 -6.775 -11.546 5.779 1.00 0.00 C ATOM 760 C THR A 47 -7.967 -11.269 4.859 1.00 0.00 C ATOM 761 O THR A 47 -8.922 -12.019 4.835 1.00 0.00 O ATOM 762 CB THR A 47 -7.246 -11.469 7.235 1.00 0.00 C ATOM 763 OG1 THR A 47 -8.358 -12.335 7.405 1.00 0.00 O ATOM 764 CG2 THR A 47 -7.659 -10.033 7.574 1.00 0.00 C ATOM 0 H THR A 47 -5.713 -9.719 6.141 1.00 0.00 H new ATOM 0 HA THR A 47 -6.380 -12.539 5.566 1.00 0.00 H new ATOM 0 HB THR A 47 -6.435 -11.770 7.898 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.712 -12.589 6.527 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.993 -9.985 8.611 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.807 -9.367 7.436 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.471 -9.723 6.917 1.00 0.00 H new ATOM 772 N ASP A 48 -7.931 -10.205 4.106 1.00 0.00 N ATOM 773 CA ASP A 48 -9.077 -9.904 3.199 1.00 0.00 C ATOM 774 C ASP A 48 -9.092 -10.873 2.011 1.00 0.00 C ATOM 775 O ASP A 48 -8.309 -11.800 1.936 1.00 0.00 O ATOM 776 CB ASP A 48 -8.972 -8.468 2.683 1.00 0.00 C ATOM 777 CG ASP A 48 -9.267 -7.493 3.824 1.00 0.00 C ATOM 778 OD1 ASP A 48 -9.954 -7.888 4.752 1.00 0.00 O ATOM 779 OD2 ASP A 48 -8.803 -6.368 3.749 1.00 0.00 O ATOM 0 H ASP A 48 -7.163 -9.534 4.078 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.002 -10.022 3.763 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.974 -8.286 2.284 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.676 -8.312 1.866 1.00 0.00 H new ATOM 784 N ARG A 49 -9.992 -10.653 1.086 1.00 0.00 N ATOM 785 CA ARG A 49 -10.097 -11.534 -0.115 1.00 0.00 C ATOM 786 C ARG A 49 -10.426 -10.665 -1.333 1.00 0.00 C ATOM 787 O ARG A 49 -11.297 -9.822 -1.278 1.00 0.00 O ATOM 788 CB ARG A 49 -11.227 -12.550 0.116 1.00 0.00 C ATOM 789 CG ARG A 49 -11.459 -13.411 -1.137 1.00 0.00 C ATOM 790 CD ARG A 49 -10.168 -14.124 -1.559 1.00 0.00 C ATOM 791 NE ARG A 49 -9.481 -14.683 -0.360 1.00 0.00 N ATOM 792 CZ ARG A 49 -8.517 -15.548 -0.508 1.00 0.00 C ATOM 793 NH1 ARG A 49 -8.162 -15.935 -1.704 1.00 0.00 N ATOM 794 NH2 ARG A 49 -7.904 -16.027 0.539 1.00 0.00 N ATOM 0 H ARG A 49 -10.667 -9.889 1.113 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.159 -12.063 -0.285 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.977 -13.191 0.961 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.146 -12.024 0.376 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.237 -14.148 -0.938 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.816 -12.783 -1.953 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.398 -14.924 -2.263 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.508 -13.426 -2.074 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.765 -14.389 0.575 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.639 -15.560 -2.524 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.408 -16.612 -1.818 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.179 -15.725 1.474 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.150 -16.704 0.423 1.00 0.00 H new ATOM 808 N VAL A 50 -9.747 -10.862 -2.431 1.00 0.00 N ATOM 809 CA VAL A 50 -10.034 -10.044 -3.641 1.00 0.00 C ATOM 810 C VAL A 50 -11.366 -10.518 -4.243 1.00 0.00 C ATOM 811 O VAL A 50 -11.720 -11.672 -4.113 1.00 0.00 O ATOM 812 CB VAL A 50 -8.917 -10.273 -4.665 1.00 0.00 C ATOM 813 CG1 VAL A 50 -7.563 -9.875 -4.078 1.00 0.00 C ATOM 814 CG2 VAL A 50 -8.891 -11.753 -5.048 1.00 0.00 C ATOM 0 H VAL A 50 -9.006 -11.554 -2.541 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.092 -8.987 -3.382 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.108 -9.660 -5.546 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.781 -10.044 -4.819 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.581 -8.820 -3.804 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.360 -10.476 -3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.099 -11.926 -5.777 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.705 -12.356 -4.159 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.851 -12.034 -5.482 1.00 0.00 H new ATOM 824 N PRO A 51 -12.107 -9.652 -4.901 1.00 0.00 N ATOM 825 CA PRO A 51 -13.410 -10.039 -5.523 1.00 0.00 C ATOM 826 C PRO A 51 -13.222 -11.082 -6.633 1.00 0.00 C ATOM 827 O PRO A 51 -12.214 -11.110 -7.309 1.00 0.00 O ATOM 828 CB PRO A 51 -13.968 -8.717 -6.085 1.00 0.00 C ATOM 829 CG PRO A 51 -12.776 -7.827 -6.240 1.00 0.00 C ATOM 830 CD PRO A 51 -11.800 -8.229 -5.131 1.00 0.00 C ATOM 0 HA PRO A 51 -14.085 -10.506 -4.806 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.469 -8.875 -7.040 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -14.702 -8.279 -5.408 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.322 -7.951 -7.223 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.058 -6.778 -6.150 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.764 -8.086 -5.437 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -11.950 -7.635 -4.229 1.00 0.00 H new ATOM 838 N ALA A 52 -14.183 -11.945 -6.810 1.00 0.00 N ATOM 839 CA ALA A 52 -14.072 -13.001 -7.859 1.00 0.00 C ATOM 840 C ALA A 52 -13.553 -12.414 -9.176 1.00 0.00 C ATOM 841 O ALA A 52 -13.888 -11.311 -9.557 1.00 0.00 O ATOM 842 CB ALA A 52 -15.453 -13.618 -8.092 1.00 0.00 C ATOM 0 H ALA A 52 -15.048 -11.965 -6.270 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.368 -13.760 -7.518 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -15.382 -14.391 -8.857 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -15.816 -14.059 -7.164 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -16.146 -12.844 -8.421 1.00 0.00 H new ATOM 848 N GLY A 53 -12.748 -13.168 -9.889 1.00 0.00 N ATOM 849 CA GLY A 53 -12.214 -12.688 -11.202 1.00 0.00 C ATOM 850 C GLY A 53 -10.827 -12.058 -11.033 1.00 0.00 C ATOM 851 O GLY A 53 -10.021 -12.073 -11.943 1.00 0.00 O ATOM 0 H GLY A 53 -12.437 -14.100 -9.615 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.156 -13.522 -11.902 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.899 -11.958 -11.632 1.00 0.00 H new ATOM 855 N LYS A 54 -10.540 -11.492 -9.889 1.00 0.00 N ATOM 856 CA LYS A 54 -9.211 -10.847 -9.678 1.00 0.00 C ATOM 857 C LYS A 54 -8.251 -11.840 -9.005 1.00 0.00 C ATOM 858 O LYS A 54 -8.643 -12.629 -8.165 1.00 0.00 O ATOM 859 CB LYS A 54 -9.404 -9.621 -8.781 1.00 0.00 C ATOM 860 CG LYS A 54 -10.461 -8.672 -9.382 1.00 0.00 C ATOM 861 CD LYS A 54 -10.122 -8.336 -10.843 1.00 0.00 C ATOM 862 CE LYS A 54 -10.853 -7.055 -11.262 1.00 0.00 C ATOM 863 NZ LYS A 54 -10.215 -5.881 -10.602 1.00 0.00 N ATOM 0 H LYS A 54 -11.172 -11.449 -9.089 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.786 -10.545 -10.635 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.715 -9.937 -7.785 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.457 -9.094 -8.667 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.446 -9.137 -9.330 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.510 -7.755 -8.795 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.046 -8.205 -10.956 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.413 -9.161 -11.493 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.817 -6.941 -12.345 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.905 -7.116 -10.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.896 -5.434 -9.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.381 -6.195 -10.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.922 -5.193 -11.325 1.00 0.00 H new ATOM 877 N ARG A 55 -6.995 -11.811 -9.375 1.00 0.00 N ATOM 878 CA ARG A 55 -6.007 -12.753 -8.767 1.00 0.00 C ATOM 879 C ARG A 55 -5.590 -12.248 -7.379 1.00 0.00 C ATOM 880 O ARG A 55 -5.662 -11.069 -7.088 1.00 0.00 O ATOM 881 CB ARG A 55 -4.777 -12.862 -9.678 1.00 0.00 C ATOM 882 CG ARG A 55 -4.118 -11.486 -9.834 1.00 0.00 C ATOM 883 CD ARG A 55 -2.942 -11.578 -10.817 1.00 0.00 C ATOM 884 NE ARG A 55 -1.974 -10.471 -10.533 1.00 0.00 N ATOM 885 CZ ARG A 55 -2.372 -9.228 -10.465 1.00 0.00 C ATOM 886 NH1 ARG A 55 -3.560 -8.896 -10.886 1.00 0.00 N ATOM 887 NH2 ARG A 55 -1.558 -8.305 -10.034 1.00 0.00 N ATOM 0 H ARG A 55 -6.611 -11.174 -10.073 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.464 -13.737 -8.660 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.064 -13.571 -9.257 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.070 -13.247 -10.655 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.849 -10.762 -10.194 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.767 -11.129 -8.866 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.447 -12.544 -10.720 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.304 -11.507 -11.843 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.988 -10.691 -10.390 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.182 -9.607 -11.270 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.867 -7.925 -10.831 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.610 -8.553 -9.750 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.869 -7.335 -9.981 1.00 0.00 H new ATOM 901 N ASP A 56 -5.158 -13.131 -6.516 1.00 0.00 N ATOM 902 CA ASP A 56 -4.744 -12.702 -5.146 1.00 0.00 C ATOM 903 C ASP A 56 -3.600 -11.687 -5.244 1.00 0.00 C ATOM 904 O ASP A 56 -2.870 -11.647 -6.214 1.00 0.00 O ATOM 905 CB ASP A 56 -4.291 -13.926 -4.342 1.00 0.00 C ATOM 906 CG ASP A 56 -5.510 -14.780 -3.984 1.00 0.00 C ATOM 907 OD1 ASP A 56 -6.542 -14.205 -3.678 1.00 0.00 O ATOM 908 OD2 ASP A 56 -5.391 -15.994 -4.022 1.00 0.00 O ATOM 0 H ASP A 56 -5.074 -14.131 -6.701 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.589 -12.234 -4.642 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.580 -14.513 -4.923 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.777 -13.609 -3.435 1.00 0.00 H new ATOM 913 N CYS A 57 -3.449 -10.862 -4.241 1.00 0.00 N ATOM 914 CA CYS A 57 -2.369 -9.833 -4.247 1.00 0.00 C ATOM 915 C CYS A 57 -1.930 -9.581 -2.806 1.00 0.00 C ATOM 916 O CYS A 57 -2.470 -10.151 -1.879 1.00 0.00 O ATOM 917 CB CYS A 57 -2.910 -8.529 -4.843 1.00 0.00 C ATOM 918 SG CYS A 57 -3.132 -8.712 -6.631 1.00 0.00 S ATOM 0 H CYS A 57 -4.037 -10.858 -3.407 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.526 -10.181 -4.844 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.860 -8.272 -4.375 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.220 -7.711 -4.635 1.00 0.00 H new ATOM 0 HG CYS A 57 -3.019 -9.966 -6.956 1.00 0.00 H new ATOM 924 N ILE A 58 -0.955 -8.736 -2.603 1.00 0.00 N ATOM 925 CA ILE A 58 -0.496 -8.444 -1.214 1.00 0.00 C ATOM 926 C ILE A 58 -1.229 -7.210 -0.681 1.00 0.00 C ATOM 927 O ILE A 58 -1.369 -6.214 -1.361 1.00 0.00 O ATOM 928 CB ILE A 58 1.008 -8.189 -1.216 1.00 0.00 C ATOM 929 CG1 ILE A 58 1.710 -9.437 -1.747 1.00 0.00 C ATOM 930 CG2 ILE A 58 1.484 -7.901 0.213 1.00 0.00 C ATOM 931 CD1 ILE A 58 3.182 -9.121 -2.012 1.00 0.00 C ATOM 0 H ILE A 58 -0.457 -8.235 -3.339 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.715 -9.298 -0.572 1.00 0.00 H new ATOM 0 HB ILE A 58 1.241 -7.331 -1.847 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.626 -10.249 -1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.229 -9.775 -2.665 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.559 -7.719 0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.969 -7.021 0.598 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.263 -8.758 0.850 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.683 -10.012 -2.391 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.256 -8.322 -2.750 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.659 -8.804 -1.085 1.00 0.00 H new ATOM 943 N SER A 59 -1.689 -7.269 0.536 1.00 0.00 N ATOM 944 CA SER A 59 -2.404 -6.102 1.127 1.00 0.00 C ATOM 945 C SER A 59 -1.477 -4.885 1.094 1.00 0.00 C ATOM 946 O SER A 59 -0.326 -4.983 0.715 1.00 0.00 O ATOM 947 CB SER A 59 -2.769 -6.431 2.569 1.00 0.00 C ATOM 948 OG SER A 59 -1.612 -6.315 3.384 1.00 0.00 O ATOM 0 H SER A 59 -1.601 -8.078 1.151 1.00 0.00 H new ATOM 0 HA SER A 59 -3.310 -5.884 0.561 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.547 -5.754 2.923 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.173 -7.441 2.633 1.00 0.00 H new ATOM 0 HG SER A 59 -1.811 -6.648 4.284 1.00 0.00 H new ATOM 954 N LEU A 60 -1.961 -3.734 1.475 1.00 0.00 N ATOM 955 CA LEU A 60 -1.091 -2.524 1.449 1.00 0.00 C ATOM 956 C LEU A 60 -0.151 -2.525 2.648 1.00 0.00 C ATOM 957 O LEU A 60 1.049 -2.400 2.514 1.00 0.00 O ATOM 958 CB LEU A 60 -1.950 -1.259 1.518 1.00 0.00 C ATOM 959 CG LEU A 60 -2.922 -1.196 0.312 1.00 0.00 C ATOM 960 CD1 LEU A 60 -4.308 -1.717 0.727 1.00 0.00 C ATOM 961 CD2 LEU A 60 -3.045 0.257 -0.180 1.00 0.00 C ATOM 0 H LEU A 60 -2.915 -3.580 1.801 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.516 -2.539 0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.516 -1.247 2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.309 -0.377 1.523 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.531 -1.820 -0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.985 -1.669 -0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.222 -2.750 1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.701 -1.102 1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.729 0.297 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.429 0.883 0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.065 0.621 -0.487 1.00 0.00 H new ATOM 973 N ARG A 61 -0.694 -2.640 3.824 1.00 0.00 N ATOM 974 CA ARG A 61 0.157 -2.619 5.044 1.00 0.00 C ATOM 975 C ARG A 61 1.361 -3.547 4.867 1.00 0.00 C ATOM 976 O ARG A 61 2.467 -3.218 5.251 1.00 0.00 O ATOM 977 CB ARG A 61 -0.685 -3.067 6.241 1.00 0.00 C ATOM 978 CG ARG A 61 -2.074 -2.388 6.174 1.00 0.00 C ATOM 979 CD ARG A 61 -2.608 -2.113 7.581 1.00 0.00 C ATOM 980 NE ARG A 61 -3.876 -1.341 7.476 1.00 0.00 N ATOM 981 CZ ARG A 61 -4.694 -1.298 8.491 1.00 0.00 C ATOM 982 NH1 ARG A 61 -4.385 -1.907 9.601 1.00 0.00 N ATOM 983 NH2 ARG A 61 -5.823 -0.650 8.392 1.00 0.00 N ATOM 0 H ARG A 61 -1.694 -2.748 3.995 1.00 0.00 H new ATOM 0 HA ARG A 61 0.528 -1.608 5.214 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.797 -4.151 6.236 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.183 -2.803 7.172 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.001 -1.453 5.618 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.772 -3.027 5.633 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.781 -3.051 8.108 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.873 -1.553 8.160 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.105 -0.847 6.613 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.504 -2.416 9.675 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.024 -1.874 10.396 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.065 -0.178 7.521 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.463 -0.616 9.186 1.00 0.00 H new ATOM 997 N GLU A 62 1.164 -4.696 4.284 1.00 0.00 N ATOM 998 CA GLU A 62 2.309 -5.629 4.080 1.00 0.00 C ATOM 999 C GLU A 62 3.235 -5.055 3.016 1.00 0.00 C ATOM 1000 O GLU A 62 4.444 -5.142 3.117 1.00 0.00 O ATOM 1001 CB GLU A 62 1.776 -6.999 3.642 1.00 0.00 C ATOM 1002 CG GLU A 62 1.241 -7.760 4.862 1.00 0.00 C ATOM 1003 CD GLU A 62 0.341 -6.842 5.697 1.00 0.00 C ATOM 1004 OE1 GLU A 62 0.878 -6.039 6.445 1.00 0.00 O ATOM 1005 OE2 GLU A 62 -0.867 -6.952 5.572 1.00 0.00 O ATOM 0 H GLU A 62 0.263 -5.030 3.941 1.00 0.00 H new ATOM 0 HA GLU A 62 2.865 -5.749 5.010 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.984 -6.873 2.904 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.570 -7.572 3.163 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.680 -8.636 4.537 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.071 -8.120 5.470 1.00 0.00 H new ATOM 1012 N LYS A 63 2.685 -4.455 1.997 1.00 0.00 N ATOM 1013 CA LYS A 63 3.546 -3.867 0.946 1.00 0.00 C ATOM 1014 C LYS A 63 4.315 -2.681 1.544 1.00 0.00 C ATOM 1015 O LYS A 63 5.520 -2.588 1.415 1.00 0.00 O ATOM 1016 CB LYS A 63 2.666 -3.389 -0.237 1.00 0.00 C ATOM 1017 CG LYS A 63 2.612 -4.450 -1.350 1.00 0.00 C ATOM 1018 CD LYS A 63 2.085 -3.825 -2.647 1.00 0.00 C ATOM 1019 CE LYS A 63 2.254 -4.836 -3.778 1.00 0.00 C ATOM 1020 NZ LYS A 63 1.559 -4.352 -5.004 1.00 0.00 N ATOM 0 H LYS A 63 1.681 -4.349 1.851 1.00 0.00 H new ATOM 0 HA LYS A 63 4.252 -4.612 0.580 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.657 -3.178 0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.065 -2.457 -0.638 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.606 -4.866 -1.515 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.967 -5.275 -1.046 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.035 -3.553 -2.537 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.630 -2.909 -2.874 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.313 -4.987 -3.986 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.848 -5.802 -3.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.680 -5.047 -5.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.546 -4.230 -4.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.966 -3.441 -5.297 1.00 0.00 H new ATOM 1034 N ILE A 64 3.620 -1.776 2.196 1.00 0.00 N ATOM 1035 CA ILE A 64 4.292 -0.578 2.800 1.00 0.00 C ATOM 1036 C ILE A 64 5.631 -1.003 3.424 1.00 0.00 C ATOM 1037 O ILE A 64 6.673 -0.467 3.102 1.00 0.00 O ATOM 1038 CB ILE A 64 3.346 0.053 3.867 1.00 0.00 C ATOM 1039 CG1 ILE A 64 2.431 1.116 3.219 1.00 0.00 C ATOM 1040 CG2 ILE A 64 4.149 0.724 4.995 1.00 0.00 C ATOM 1041 CD1 ILE A 64 1.371 0.444 2.344 1.00 0.00 C ATOM 0 H ILE A 64 2.611 -1.816 2.336 1.00 0.00 H new ATOM 0 HA ILE A 64 4.497 0.169 2.033 1.00 0.00 H new ATOM 0 HB ILE A 64 2.744 -0.755 4.283 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.948 1.711 3.994 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.028 1.801 2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.462 1.155 5.724 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.779 -0.019 5.485 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.775 1.512 4.577 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.734 1.206 1.894 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.860 -0.131 1.557 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.763 -0.222 2.956 1.00 0.00 H new ATOM 1053 N ALA A 65 5.615 -1.968 4.295 1.00 0.00 N ATOM 1054 CA ALA A 65 6.893 -2.424 4.912 1.00 0.00 C ATOM 1055 C ALA A 65 7.820 -2.978 3.828 1.00 0.00 C ATOM 1056 O ALA A 65 9.028 -2.904 3.925 1.00 0.00 O ATOM 1057 CB ALA A 65 6.601 -3.531 5.925 1.00 0.00 C ATOM 0 H ALA A 65 4.778 -2.461 4.607 1.00 0.00 H new ATOM 0 HA ALA A 65 7.372 -1.580 5.409 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.535 -3.866 6.377 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.938 -3.148 6.701 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.122 -4.369 5.420 1.00 0.00 H new ATOM 1063 N GLU A 66 7.256 -3.568 2.814 1.00 0.00 N ATOM 1064 CA GLU A 66 8.085 -4.172 1.732 1.00 0.00 C ATOM 1065 C GLU A 66 8.659 -3.101 0.789 1.00 0.00 C ATOM 1066 O GLU A 66 9.793 -3.195 0.358 1.00 0.00 O ATOM 1067 CB GLU A 66 7.208 -5.132 0.924 1.00 0.00 C ATOM 1068 CG GLU A 66 8.072 -5.982 -0.017 1.00 0.00 C ATOM 1069 CD GLU A 66 8.695 -7.145 0.756 1.00 0.00 C ATOM 1070 OE1 GLU A 66 8.704 -7.087 1.975 1.00 0.00 O ATOM 1071 OE2 GLU A 66 9.150 -8.077 0.115 1.00 0.00 O ATOM 0 H GLU A 66 6.248 -3.659 2.686 1.00 0.00 H new ATOM 0 HA GLU A 66 8.922 -4.697 2.192 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.649 -5.780 1.599 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.477 -4.567 0.346 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.464 -6.364 -0.837 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.856 -5.367 -0.460 1.00 0.00 H new ATOM 1078 N LEU A 67 7.888 -2.110 0.423 1.00 0.00 N ATOM 1079 CA LEU A 67 8.408 -1.084 -0.540 1.00 0.00 C ATOM 1080 C LEU A 67 9.604 -0.324 0.048 1.00 0.00 C ATOM 1081 O LEU A 67 10.608 -0.135 -0.612 1.00 0.00 O ATOM 1082 CB LEU A 67 7.295 -0.066 -0.876 1.00 0.00 C ATOM 1083 CG LEU A 67 6.409 -0.571 -2.029 1.00 0.00 C ATOM 1084 CD1 LEU A 67 7.234 -0.739 -3.323 1.00 0.00 C ATOM 1085 CD2 LEU A 67 5.772 -1.900 -1.627 1.00 0.00 C ATOM 0 H LEU A 67 6.931 -1.964 0.743 1.00 0.00 H new ATOM 0 HA LEU A 67 8.728 -1.608 -1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.681 0.111 0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.743 0.889 -1.149 1.00 0.00 H new ATOM 0 HG LEU A 67 5.627 0.163 -2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.586 -1.097 -4.123 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.665 0.221 -3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.034 -1.460 -3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.143 -2.263 -2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.554 -2.630 -1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.164 -1.757 -0.734 1.00 0.00 H new ATOM 1097 N GLN A 68 9.496 0.149 1.248 1.00 0.00 N ATOM 1098 CA GLN A 68 10.615 0.936 1.831 1.00 0.00 C ATOM 1099 C GLN A 68 11.800 0.024 2.198 1.00 0.00 C ATOM 1100 O GLN A 68 12.944 0.419 2.100 1.00 0.00 O ATOM 1101 CB GLN A 68 10.105 1.651 3.085 1.00 0.00 C ATOM 1102 CG GLN A 68 8.947 2.583 2.710 1.00 0.00 C ATOM 1103 CD GLN A 68 8.488 3.347 3.955 1.00 0.00 C ATOM 1104 OE1 GLN A 68 9.250 4.094 4.537 1.00 0.00 O ATOM 1105 NE2 GLN A 68 7.266 3.190 4.394 1.00 0.00 N ATOM 0 H GLN A 68 8.684 0.028 1.854 1.00 0.00 H new ATOM 0 HA GLN A 68 10.965 1.660 1.095 1.00 0.00 H new ATOM 0 HB2 GLN A 68 9.773 0.921 3.823 1.00 0.00 H new ATOM 0 HB3 GLN A 68 10.912 2.223 3.543 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.264 3.282 1.936 1.00 0.00 H new ATOM 0 HG3 GLN A 68 8.119 2.006 2.298 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.626 2.563 3.907 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.953 3.694 5.224 1.00 0.00 H new ATOM 1114 N LYS A 69 11.540 -1.172 2.645 1.00 0.00 N ATOM 1115 CA LYS A 69 12.658 -2.083 3.048 1.00 0.00 C ATOM 1116 C LYS A 69 13.340 -2.749 1.844 1.00 0.00 C ATOM 1117 O LYS A 69 14.497 -3.112 1.916 1.00 0.00 O ATOM 1118 CB LYS A 69 12.108 -3.171 3.966 1.00 0.00 C ATOM 1119 CG LYS A 69 11.657 -2.540 5.287 1.00 0.00 C ATOM 1120 CD LYS A 69 11.087 -3.624 6.213 1.00 0.00 C ATOM 1121 CE LYS A 69 12.199 -4.568 6.700 1.00 0.00 C ATOM 1122 NZ LYS A 69 13.422 -3.786 7.040 1.00 0.00 N ATOM 0 H LYS A 69 10.604 -1.562 2.750 1.00 0.00 H new ATOM 0 HA LYS A 69 13.406 -1.476 3.558 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.270 -3.677 3.487 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.872 -3.926 4.153 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.499 -2.043 5.769 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.902 -1.777 5.097 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.599 -3.157 7.069 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.324 -4.196 5.684 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.858 -5.124 7.574 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.430 -5.301 5.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.030 -4.349 7.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.941 -3.557 6.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.148 -2.905 7.521 1.00 0.00 H new ATOM 1136 N ASP A 70 12.645 -2.946 0.752 1.00 0.00 N ATOM 1137 CA ASP A 70 13.280 -3.627 -0.428 1.00 0.00 C ATOM 1138 C ASP A 70 13.806 -2.605 -1.437 1.00 0.00 C ATOM 1139 O ASP A 70 14.732 -2.876 -2.178 1.00 0.00 O ATOM 1140 CB ASP A 70 12.241 -4.517 -1.117 1.00 0.00 C ATOM 1141 CG ASP A 70 11.962 -5.750 -0.254 1.00 0.00 C ATOM 1142 OD1 ASP A 70 12.752 -6.019 0.636 1.00 0.00 O ATOM 1143 OD2 ASP A 70 10.961 -6.406 -0.499 1.00 0.00 O ATOM 0 H ASP A 70 11.672 -2.669 0.622 1.00 0.00 H new ATOM 0 HA ASP A 70 14.118 -4.225 -0.069 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.319 -3.958 -1.278 1.00 0.00 H new ATOM 0 HB3 ASP A 70 12.604 -4.823 -2.098 1.00 0.00 H new ATOM 1148 N ILE A 71 13.223 -1.442 -1.491 1.00 0.00 N ATOM 1149 CA ILE A 71 13.693 -0.422 -2.476 1.00 0.00 C ATOM 1150 C ILE A 71 14.872 0.364 -1.887 1.00 0.00 C ATOM 1151 O ILE A 71 14.734 1.513 -1.522 1.00 0.00 O ATOM 1152 CB ILE A 71 12.548 0.554 -2.776 1.00 0.00 C ATOM 1153 CG1 ILE A 71 11.268 -0.215 -3.197 1.00 0.00 C ATOM 1154 CG2 ILE A 71 12.983 1.526 -3.885 1.00 0.00 C ATOM 1155 CD1 ILE A 71 11.278 -0.538 -4.695 1.00 0.00 C ATOM 0 H ILE A 71 12.444 -1.151 -0.900 1.00 0.00 H new ATOM 0 HA ILE A 71 14.009 -0.924 -3.390 1.00 0.00 H new ATOM 0 HB ILE A 71 12.317 1.120 -1.873 1.00 0.00 H new ATOM 0 HG12 ILE A 71 11.192 -1.139 -2.624 1.00 0.00 H new ATOM 0 HG13 ILE A 71 10.388 0.382 -2.958 1.00 0.00 H new ATOM 0 HG21 ILE A 71 12.171 2.220 -4.100 1.00 0.00 H new ATOM 0 HG22 ILE A 71 13.860 2.084 -3.557 1.00 0.00 H new ATOM 0 HG23 ILE A 71 13.227 0.964 -4.786 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.367 -1.077 -4.957 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.329 0.389 -5.267 1.00 0.00 H new ATOM 0 HD13 ILE A 71 12.145 -1.156 -4.928 1.00 0.00 H new ATOM 1167 N HIS A 72 16.031 -0.237 -1.803 1.00 0.00 N ATOM 1168 CA HIS A 72 17.214 0.491 -1.252 1.00 0.00 C ATOM 1169 C HIS A 72 18.490 -0.161 -1.785 1.00 0.00 C ATOM 1170 O HIS A 72 19.436 0.508 -2.153 1.00 0.00 O ATOM 1171 CB HIS A 72 17.204 0.420 0.280 1.00 0.00 C ATOM 1172 CG HIS A 72 18.327 1.260 0.844 1.00 0.00 C ATOM 1173 ND1 HIS A 72 18.966 0.936 2.034 1.00 0.00 N ATOM 1174 CD2 HIS A 72 18.937 2.409 0.397 1.00 0.00 C ATOM 1175 CE1 HIS A 72 19.910 1.871 2.258 1.00 0.00 C ATOM 1176 NE2 HIS A 72 19.935 2.791 1.292 1.00 0.00 N ATOM 0 H HIS A 72 16.210 -1.199 -2.092 1.00 0.00 H new ATOM 0 HA HIS A 72 17.174 1.536 -1.559 1.00 0.00 H new ATOM 0 HB2 HIS A 72 16.247 0.774 0.662 1.00 0.00 H new ATOM 0 HB3 HIS A 72 17.314 -0.615 0.605 1.00 0.00 H new ATOM 0 HD2 HIS A 72 18.681 2.936 -0.511 1.00 0.00 H new ATOM 0 HE1 HIS A 72 20.567 1.875 3.115 1.00 0.00 H new ATOM 0 HE2 HIS A 72 20.552 3.600 1.223 1.00 0.00 H new ATOM 1184 N ASP A 73 18.522 -1.465 -1.818 1.00 0.00 N ATOM 1185 CA ASP A 73 19.733 -2.173 -2.314 1.00 0.00 C ATOM 1186 C ASP A 73 20.970 -1.616 -1.607 1.00 0.00 C ATOM 1187 O ASP A 73 21.172 -1.828 -0.429 1.00 0.00 O ATOM 1188 CB ASP A 73 19.872 -1.967 -3.825 1.00 0.00 C ATOM 1189 CG ASP A 73 18.811 -2.788 -4.560 1.00 0.00 C ATOM 1190 OD1 ASP A 73 18.389 -3.798 -4.019 1.00 0.00 O ATOM 1191 OD2 ASP A 73 18.440 -2.396 -5.654 1.00 0.00 O ATOM 0 H ASP A 73 17.758 -2.072 -1.521 1.00 0.00 H new ATOM 0 HA ASP A 73 19.640 -3.239 -2.105 1.00 0.00 H new ATOM 0 HB2 ASP A 73 19.761 -0.910 -4.069 1.00 0.00 H new ATOM 0 HB3 ASP A 73 20.868 -2.267 -4.152 1.00 0.00 H new TER 1196 ASP A 73