USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 811 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 24 CYS SG : rot 105:sc= -0.542 USER MOD Set 1.2: A 91 TYR OH : rot 180:sc= -1.61! USER MOD Set 2.1: A 58 SER OG : rot 180:sc= 0.303 USER MOD Set 2.2: A 60 SER OG : rot 99:sc= 0.318 USER MOD Set 3.1: A 29 THR OG1 : rot 58:sc= 1.06 USER MOD Set 3.2: A 43 TYR OH : rot 180:sc= -3.43! USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0866 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc=-0.000344 X(o=-0.00034,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 53:sc= 0.0814 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl -169:sc= -0.192 (180deg=-0.467) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 83:sc= -0.517 USER MOD Single : A 33 LYS NZ :NH3+ -120:sc= 0.567 (180deg=-0.102) USER MOD Single : A 34 SER OG : rot 74:sc= 0.272 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.634 K(o=-0.63,f=-6!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00889 USER MOD Single : A 51 THR OG1 : rot -85:sc= 0.258 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -146:sc= 0 (180deg=-1.67!) USER MOD Single : A 61 SER OG : rot -115:sc= -0.939 USER MOD Single : A 68 GLN : amide:sc= -0.963 K(o=-0.96,f=-5.6!) USER MOD Single : A 73 THR OG1 : rot 153:sc= 0.183 USER MOD Single : A 76 LYS NZ :NH3+ 157:sc= 1.53 (180deg=1.24) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.451 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.0309 X(o=-0.031,f=-0.031) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 17:sc= 0.0508 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.804 -25.574 -10.303 1.00 0.00 N ATOM 2 CA GLY A 1 -27.756 -24.087 -10.260 1.00 0.00 C ATOM 3 C GLY A 1 -26.685 -23.514 -11.168 1.00 0.00 C ATOM 4 O GLY A 1 -25.899 -24.256 -11.757 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.738 -25.882 -10.643 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.068 -25.927 -10.947 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.640 -25.954 -9.349 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.727 -23.687 -10.551 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.572 -23.762 -9.236 1.00 0.00 H new ATOM 10 N ILE A 2 -26.655 -22.190 -11.281 1.00 0.00 N ATOM 11 CA ILE A 2 -25.675 -21.517 -12.124 1.00 0.00 C ATOM 12 C ILE A 2 -24.751 -20.632 -11.293 1.00 0.00 C ATOM 13 O ILE A 2 -25.033 -19.453 -11.080 1.00 0.00 O ATOM 14 CB ILE A 2 -26.357 -20.655 -13.202 1.00 0.00 C ATOM 15 CG1 ILE A 2 -27.452 -21.455 -13.913 1.00 0.00 C ATOM 16 CG2 ILE A 2 -25.331 -20.147 -14.203 1.00 0.00 C ATOM 17 CD1 ILE A 2 -26.948 -22.729 -14.552 1.00 0.00 C ATOM 0 H ILE A 2 -27.299 -21.562 -10.799 1.00 0.00 H new ATOM 0 HA ILE A 2 -25.089 -22.297 -12.610 1.00 0.00 H new ATOM 0 HB ILE A 2 -26.819 -19.795 -12.717 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -28.234 -21.702 -13.196 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -27.909 -20.829 -14.680 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -25.829 -19.539 -14.958 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -24.586 -19.543 -13.685 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -24.841 -20.994 -14.684 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -27.776 -23.245 -15.037 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -26.186 -22.488 -15.294 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -26.517 -23.374 -13.786 1.00 0.00 H new ATOM 29 N PRO A 3 -23.628 -21.190 -10.806 1.00 0.00 N ATOM 30 CA PRO A 3 -22.663 -20.442 -9.995 1.00 0.00 C ATOM 31 C PRO A 3 -21.927 -19.381 -10.803 1.00 0.00 C ATOM 32 O PRO A 3 -21.197 -19.696 -11.743 1.00 0.00 O ATOM 33 CB PRO A 3 -21.689 -21.520 -9.514 1.00 0.00 C ATOM 34 CG PRO A 3 -21.788 -22.604 -10.533 1.00 0.00 C ATOM 35 CD PRO A 3 -23.213 -22.591 -11.011 1.00 0.00 C ATOM 0 HA PRO A 3 -23.148 -19.897 -9.185 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -20.672 -21.133 -9.446 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -21.959 -21.883 -8.522 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -21.098 -22.429 -11.358 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -21.530 -23.571 -10.101 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -23.288 -22.884 -12.058 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -23.835 -23.282 -10.441 1.00 0.00 H new ATOM 43 N GLU A 4 -22.125 -18.120 -10.434 1.00 0.00 N ATOM 44 CA GLU A 4 -21.481 -17.011 -11.126 1.00 0.00 C ATOM 45 C GLU A 4 -20.972 -15.973 -10.132 1.00 0.00 C ATOM 46 O GLU A 4 -21.328 -15.998 -8.953 1.00 0.00 O ATOM 47 CB GLU A 4 -22.456 -16.359 -12.108 1.00 0.00 C ATOM 48 CG GLU A 4 -22.949 -17.305 -13.191 1.00 0.00 C ATOM 49 CD GLU A 4 -21.975 -17.426 -14.345 1.00 0.00 C ATOM 50 OE1 GLU A 4 -21.489 -16.381 -14.824 1.00 0.00 O ATOM 51 OE2 GLU A 4 -21.695 -18.569 -14.769 1.00 0.00 O ATOM 0 H GLU A 4 -22.727 -17.841 -9.659 1.00 0.00 H new ATOM 0 HA GLU A 4 -20.629 -17.406 -11.680 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -23.313 -15.974 -11.555 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -21.969 -15.504 -12.577 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -23.118 -18.291 -12.758 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -23.910 -16.953 -13.566 1.00 0.00 H new ATOM 58 N PHE A 5 -20.134 -15.059 -10.614 1.00 0.00 N ATOM 59 CA PHE A 5 -19.574 -14.013 -9.766 1.00 0.00 C ATOM 60 C PHE A 5 -19.642 -12.655 -10.457 1.00 0.00 C ATOM 61 O PHE A 5 -19.838 -12.575 -11.670 1.00 0.00 O ATOM 62 CB PHE A 5 -18.123 -14.343 -9.406 1.00 0.00 C ATOM 63 CG PHE A 5 -17.250 -14.588 -10.603 1.00 0.00 C ATOM 64 CD1 PHE A 5 -16.909 -13.548 -11.453 1.00 0.00 C ATOM 65 CD2 PHE A 5 -16.769 -15.858 -10.877 1.00 0.00 C ATOM 66 CE1 PHE A 5 -16.106 -13.770 -12.555 1.00 0.00 C ATOM 67 CE2 PHE A 5 -15.965 -16.086 -11.977 1.00 0.00 C ATOM 68 CZ PHE A 5 -15.632 -15.041 -12.817 1.00 0.00 C ATOM 0 H PHE A 5 -19.829 -15.022 -11.587 1.00 0.00 H new ATOM 0 HA PHE A 5 -20.167 -13.965 -8.853 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -17.706 -13.522 -8.824 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -18.107 -15.226 -8.768 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -17.275 -12.552 -11.252 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -17.025 -16.679 -10.224 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -15.849 -12.951 -13.211 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -15.597 -17.081 -12.180 1.00 0.00 H new ATOM 0 HZ PHE A 5 -15.002 -15.217 -13.677 1.00 0.00 H new ATOM 78 N LYS A 6 -19.477 -11.593 -9.677 1.00 0.00 N ATOM 79 CA LYS A 6 -19.518 -10.236 -10.214 1.00 0.00 C ATOM 80 C LYS A 6 -18.120 -9.762 -10.598 1.00 0.00 C ATOM 81 O LYS A 6 -17.229 -9.677 -9.752 1.00 0.00 O ATOM 82 CB LYS A 6 -20.130 -9.279 -9.190 1.00 0.00 C ATOM 83 CG LYS A 6 -21.604 -9.541 -8.918 1.00 0.00 C ATOM 84 CD LYS A 6 -21.878 -9.709 -7.431 1.00 0.00 C ATOM 85 CE LYS A 6 -21.671 -8.406 -6.676 1.00 0.00 C ATOM 86 NZ LYS A 6 -21.153 -8.637 -5.300 1.00 0.00 N ATOM 0 H LYS A 6 -19.314 -11.644 -8.671 1.00 0.00 H new ATOM 0 HA LYS A 6 -20.139 -10.244 -11.110 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -19.577 -9.359 -8.254 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -20.011 -8.255 -9.545 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -22.199 -8.715 -9.307 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -21.919 -10.439 -9.450 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -22.901 -10.057 -7.285 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -21.220 -10.476 -7.023 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -20.972 -7.775 -7.226 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -22.615 -7.864 -6.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -21.026 -7.724 -4.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -21.831 -9.218 -4.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -20.240 -9.131 -5.351 1.00 0.00 H new ATOM 100 N GLN A 7 -17.934 -9.454 -11.877 1.00 0.00 N ATOM 101 CA GLN A 7 -16.644 -8.989 -12.372 1.00 0.00 C ATOM 102 C GLN A 7 -16.752 -7.573 -12.928 1.00 0.00 C ATOM 103 O GLN A 7 -16.054 -7.214 -13.877 1.00 0.00 O ATOM 104 CB GLN A 7 -16.116 -9.933 -13.453 1.00 0.00 C ATOM 105 CG GLN A 7 -14.616 -9.824 -13.676 1.00 0.00 C ATOM 106 CD GLN A 7 -14.092 -10.868 -14.642 1.00 0.00 C ATOM 107 OE1 GLN A 7 -14.074 -10.654 -15.854 1.00 0.00 O ATOM 108 NE2 GLN A 7 -13.663 -12.006 -14.109 1.00 0.00 N ATOM 0 H GLN A 7 -18.661 -9.518 -12.590 1.00 0.00 H new ATOM 0 HA GLN A 7 -15.946 -8.980 -11.535 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -16.361 -10.959 -13.179 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -16.631 -9.722 -14.391 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -14.381 -8.831 -14.058 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -14.102 -9.928 -12.720 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -13.696 -12.140 -13.098 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -13.300 -12.746 -14.710 1.00 0.00 H new ATOM 117 N LYS A 8 -17.629 -6.771 -12.330 1.00 0.00 N ATOM 118 CA LYS A 8 -17.824 -5.394 -12.766 1.00 0.00 C ATOM 119 C LYS A 8 -18.135 -4.481 -11.581 1.00 0.00 C ATOM 120 O LYS A 8 -18.685 -3.392 -11.754 1.00 0.00 O ATOM 121 CB LYS A 8 -18.956 -5.319 -13.793 1.00 0.00 C ATOM 122 CG LYS A 8 -18.816 -4.162 -14.769 1.00 0.00 C ATOM 123 CD LYS A 8 -17.902 -4.520 -15.930 1.00 0.00 C ATOM 124 CE LYS A 8 -17.671 -3.329 -16.846 1.00 0.00 C ATOM 125 NZ LYS A 8 -16.813 -3.681 -18.010 1.00 0.00 N ATOM 0 H LYS A 8 -18.214 -7.052 -11.543 1.00 0.00 H new ATOM 0 HA LYS A 8 -16.898 -5.053 -13.228 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -18.990 -6.254 -14.353 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -19.907 -5.227 -13.268 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -19.799 -3.885 -15.150 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -18.420 -3.291 -14.248 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.946 -4.875 -15.545 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -18.340 -5.339 -16.500 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -18.630 -2.954 -17.203 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -17.203 -2.522 -16.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.680 -2.842 -18.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.888 -4.015 -17.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.271 -4.433 -18.564 1.00 0.00 H new ATOM 139 N ALA A 9 -17.779 -4.927 -10.380 1.00 0.00 N ATOM 140 CA ALA A 9 -18.019 -4.146 -9.169 1.00 0.00 C ATOM 141 C ALA A 9 -19.468 -3.669 -9.096 1.00 0.00 C ATOM 142 O ALA A 9 -19.734 -2.473 -8.971 1.00 0.00 O ATOM 143 CB ALA A 9 -17.065 -2.962 -9.108 1.00 0.00 C ATOM 0 H ALA A 9 -17.323 -5.825 -10.218 1.00 0.00 H new ATOM 0 HA ALA A 9 -17.836 -4.791 -8.309 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -17.255 -2.388 -8.201 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -16.037 -3.323 -9.101 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -17.220 -2.325 -9.979 1.00 0.00 H new ATOM 149 N LEU A 10 -20.401 -4.612 -9.177 1.00 0.00 N ATOM 150 CA LEU A 10 -21.821 -4.288 -9.122 1.00 0.00 C ATOM 151 C LEU A 10 -22.263 -4.018 -7.687 1.00 0.00 C ATOM 152 O LEU A 10 -21.618 -4.458 -6.735 1.00 0.00 O ATOM 153 CB LEU A 10 -22.649 -5.428 -9.720 1.00 0.00 C ATOM 154 CG LEU A 10 -23.815 -4.986 -10.606 1.00 0.00 C ATOM 155 CD1 LEU A 10 -23.299 -4.345 -11.885 1.00 0.00 C ATOM 156 CD2 LEU A 10 -24.717 -6.167 -10.926 1.00 0.00 C ATOM 0 H LEU A 10 -20.199 -5.606 -9.281 1.00 0.00 H new ATOM 0 HA LEU A 10 -21.985 -3.384 -9.708 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -21.989 -6.067 -10.306 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -23.042 -6.037 -8.906 1.00 0.00 H new ATOM 0 HG LEU A 10 -24.400 -4.244 -10.062 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -24.142 -4.037 -12.503 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -22.693 -3.474 -11.637 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -22.691 -5.065 -12.433 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -25.541 -5.835 -11.557 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -24.144 -6.931 -11.451 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -25.114 -6.583 -10.000 1.00 0.00 H new ATOM 168 N VAL A 11 -23.368 -3.294 -7.540 1.00 0.00 N ATOM 169 CA VAL A 11 -23.897 -2.966 -6.222 1.00 0.00 C ATOM 170 C VAL A 11 -22.927 -2.083 -5.444 1.00 0.00 C ATOM 171 O VAL A 11 -21.710 -2.216 -5.572 1.00 0.00 O ATOM 172 CB VAL A 11 -24.189 -4.235 -5.401 1.00 0.00 C ATOM 173 CG1 VAL A 11 -24.922 -3.882 -4.114 1.00 0.00 C ATOM 174 CG2 VAL A 11 -24.991 -5.231 -6.225 1.00 0.00 C ATOM 0 H VAL A 11 -23.914 -2.924 -8.318 1.00 0.00 H new ATOM 0 HA VAL A 11 -24.829 -2.424 -6.382 1.00 0.00 H new ATOM 0 HB VAL A 11 -23.240 -4.700 -5.135 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -25.120 -4.792 -3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -24.306 -3.209 -3.517 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -25.865 -3.392 -4.355 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -25.188 -6.122 -5.628 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -25.936 -4.778 -6.524 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -24.424 -5.508 -7.114 1.00 0.00 H new ATOM 184 N ALA A 12 -23.475 -1.179 -4.637 1.00 0.00 N ATOM 185 CA ALA A 12 -22.659 -0.273 -3.838 1.00 0.00 C ATOM 186 C ALA A 12 -23.138 -0.237 -2.389 1.00 0.00 C ATOM 187 O ALA A 12 -23.633 0.784 -1.913 1.00 0.00 O ATOM 188 CB ALA A 12 -22.680 1.123 -4.439 1.00 0.00 C ATOM 0 H ALA A 12 -24.481 -1.055 -4.520 1.00 0.00 H new ATOM 0 HA ALA A 12 -21.634 -0.643 -3.845 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -22.067 1.789 -3.833 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -22.284 1.088 -5.454 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -23.705 1.494 -4.462 1.00 0.00 H new ATOM 194 N LYS A 13 -22.986 -1.360 -1.694 1.00 0.00 N ATOM 195 CA LYS A 13 -23.401 -1.460 -0.300 1.00 0.00 C ATOM 196 C LYS A 13 -22.554 -2.485 0.447 1.00 0.00 C ATOM 197 O LYS A 13 -23.044 -3.180 1.336 1.00 0.00 O ATOM 198 CB LYS A 13 -24.880 -1.839 -0.212 1.00 0.00 C ATOM 199 CG LYS A 13 -25.585 -1.262 1.005 1.00 0.00 C ATOM 200 CD LYS A 13 -26.972 -0.746 0.656 1.00 0.00 C ATOM 201 CE LYS A 13 -27.896 -1.877 0.235 1.00 0.00 C ATOM 202 NZ LYS A 13 -29.307 -1.620 0.636 1.00 0.00 N ATOM 0 H LYS A 13 -22.578 -2.214 -2.074 1.00 0.00 H new ATOM 0 HA LYS A 13 -23.256 -0.486 0.168 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -25.389 -1.496 -1.113 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -24.967 -2.925 -0.191 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -25.665 -2.027 1.777 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -24.988 -0.450 1.421 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -27.396 -0.229 1.517 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -26.898 -0.016 -0.150 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -27.844 -2.005 -0.846 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -27.555 -2.810 0.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -29.905 -2.414 0.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -29.362 -1.523 1.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -29.641 -0.743 0.188 1.00 0.00 H new ATOM 216 N VAL A 14 -21.281 -2.573 0.076 1.00 0.00 N ATOM 217 CA VAL A 14 -20.364 -3.513 0.710 1.00 0.00 C ATOM 218 C VAL A 14 -19.034 -2.845 1.040 1.00 0.00 C ATOM 219 O VAL A 14 -18.570 -1.967 0.310 1.00 0.00 O ATOM 220 CB VAL A 14 -20.101 -4.734 -0.191 1.00 0.00 C ATOM 221 CG1 VAL A 14 -19.306 -5.792 0.558 1.00 0.00 C ATOM 222 CG2 VAL A 14 -21.412 -5.307 -0.707 1.00 0.00 C ATOM 0 H VAL A 14 -20.861 -2.005 -0.660 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.840 -3.846 1.632 1.00 0.00 H new ATOM 0 HB VAL A 14 -19.510 -4.410 -1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -19.131 -6.646 -0.096 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -18.350 -5.374 0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -19.867 -6.115 1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -21.207 -6.169 -1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -22.031 -5.616 0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -21.939 -4.548 -1.285 1.00 0.00 H new ATOM 232 N SER A 15 -18.423 -3.264 2.143 1.00 0.00 N ATOM 233 CA SER A 15 -17.147 -2.705 2.569 1.00 0.00 C ATOM 234 C SER A 15 -15.983 -3.489 1.971 1.00 0.00 C ATOM 235 O SER A 15 -15.316 -4.258 2.665 1.00 0.00 O ATOM 236 CB SER A 15 -17.048 -2.707 4.096 1.00 0.00 C ATOM 237 OG SER A 15 -17.438 -3.960 4.631 1.00 0.00 O ATOM 0 H SER A 15 -18.792 -3.989 2.758 1.00 0.00 H new ATOM 0 HA SER A 15 -17.092 -1.677 2.211 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.025 -2.482 4.397 1.00 0.00 H new ATOM 0 HB3 SER A 15 -17.681 -1.920 4.506 1.00 0.00 H new ATOM 0 HG SER A 15 -16.927 -4.675 4.196 1.00 0.00 H new ATOM 243 N GLN A 16 -15.744 -3.290 0.679 1.00 0.00 N ATOM 244 CA GLN A 16 -14.660 -3.979 -0.013 1.00 0.00 C ATOM 245 C GLN A 16 -13.356 -3.196 0.105 1.00 0.00 C ATOM 246 O GLN A 16 -12.281 -3.777 0.249 1.00 0.00 O ATOM 247 CB GLN A 16 -15.019 -4.184 -1.488 1.00 0.00 C ATOM 248 CG GLN A 16 -15.175 -5.643 -1.878 1.00 0.00 C ATOM 249 CD GLN A 16 -13.897 -6.238 -2.437 1.00 0.00 C ATOM 250 OE1 GLN A 16 -13.138 -6.890 -1.720 1.00 0.00 O ATOM 251 NE2 GLN A 16 -13.654 -6.016 -3.723 1.00 0.00 N ATOM 0 H GLN A 16 -16.286 -2.658 0.090 1.00 0.00 H new ATOM 0 HA GLN A 16 -14.520 -4.952 0.457 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -15.949 -3.657 -1.704 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -14.245 -3.731 -2.108 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -15.487 -6.217 -1.005 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -15.968 -5.734 -2.620 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.312 -5.470 -4.279 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -12.810 -6.392 -4.155 1.00 0.00 H new ATOM 260 N ARG A 17 -13.458 -1.871 0.043 1.00 0.00 N ATOM 261 CA ARG A 17 -12.287 -1.008 0.143 1.00 0.00 C ATOM 262 C ARG A 17 -11.879 -0.809 1.599 1.00 0.00 C ATOM 263 O ARG A 17 -10.692 -0.737 1.916 1.00 0.00 O ATOM 264 CB ARG A 17 -12.571 0.346 -0.510 1.00 0.00 C ATOM 265 CG ARG A 17 -11.372 0.932 -1.240 1.00 0.00 C ATOM 266 CD ARG A 17 -11.697 2.284 -1.855 1.00 0.00 C ATOM 267 NE ARG A 17 -10.695 3.292 -1.521 1.00 0.00 N ATOM 268 CZ ARG A 17 -10.893 4.603 -1.638 1.00 0.00 C ATOM 269 NH1 ARG A 17 -12.055 5.068 -2.081 1.00 0.00 N ATOM 270 NH2 ARG A 17 -9.929 5.452 -1.312 1.00 0.00 N ATOM 0 H ARG A 17 -14.340 -1.373 -0.076 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.463 -1.492 -0.382 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.396 0.235 -1.214 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.898 1.048 0.257 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.539 1.038 -0.545 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.049 0.244 -2.022 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.763 2.183 -2.938 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.675 2.615 -1.506 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.789 2.973 -1.178 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.801 4.420 -2.333 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.202 6.074 -2.169 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.034 5.101 -0.971 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.082 6.456 -1.402 1.00 0.00 H new ATOM 284 N GLU A 18 -12.870 -0.718 2.480 1.00 0.00 N ATOM 285 CA GLU A 18 -12.611 -0.527 3.903 1.00 0.00 C ATOM 286 C GLU A 18 -11.786 -1.679 4.465 1.00 0.00 C ATOM 287 O GLU A 18 -10.891 -1.473 5.285 1.00 0.00 O ATOM 288 CB GLU A 18 -13.929 -0.402 4.669 1.00 0.00 C ATOM 289 CG GLU A 18 -14.381 1.036 4.872 1.00 0.00 C ATOM 290 CD GLU A 18 -15.588 1.144 5.782 1.00 0.00 C ATOM 291 OE1 GLU A 18 -16.652 0.592 5.427 1.00 0.00 O ATOM 292 OE2 GLU A 18 -15.471 1.783 6.849 1.00 0.00 O ATOM 0 H GLU A 18 -13.858 -0.773 2.234 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.041 0.394 4.024 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.705 -0.946 4.131 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.821 -0.881 5.642 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.560 1.615 5.294 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -14.619 1.478 3.905 1.00 0.00 H new ATOM 299 N GLU A 19 -12.093 -2.894 4.021 1.00 0.00 N ATOM 300 CA GLU A 19 -11.378 -4.079 4.480 1.00 0.00 C ATOM 301 C GLU A 19 -9.994 -4.156 3.844 1.00 0.00 C ATOM 302 O GLU A 19 -9.046 -4.652 4.453 1.00 0.00 O ATOM 303 CB GLU A 19 -12.178 -5.342 4.151 1.00 0.00 C ATOM 304 CG GLU A 19 -12.866 -5.957 5.359 1.00 0.00 C ATOM 305 CD GLU A 19 -14.153 -5.245 5.724 1.00 0.00 C ATOM 306 OE1 GLU A 19 -14.295 -4.056 5.368 1.00 0.00 O ATOM 307 OE2 GLU A 19 -15.019 -5.877 6.365 1.00 0.00 O ATOM 0 H GLU A 19 -12.832 -3.083 3.344 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.258 -4.007 5.561 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -12.929 -5.101 3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.510 -6.081 3.709 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.081 -7.006 5.155 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.187 -5.931 6.211 1.00 0.00 H new ATOM 314 N MET A 20 -9.887 -3.661 2.615 1.00 0.00 N ATOM 315 CA MET A 20 -8.620 -3.671 1.894 1.00 0.00 C ATOM 316 C MET A 20 -7.569 -2.845 2.627 1.00 0.00 C ATOM 317 O MET A 20 -6.468 -3.324 2.899 1.00 0.00 O ATOM 318 CB MET A 20 -8.816 -3.132 0.476 1.00 0.00 C ATOM 319 CG MET A 20 -9.518 -4.108 -0.454 1.00 0.00 C ATOM 320 SD MET A 20 -8.448 -4.711 -1.776 1.00 0.00 S ATOM 321 CE MET A 20 -7.234 -5.632 -0.834 1.00 0.00 C ATOM 0 H MET A 20 -10.663 -3.248 2.098 1.00 0.00 H new ATOM 0 HA MET A 20 -8.268 -4.701 1.839 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.394 -2.209 0.524 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.843 -2.878 0.055 1.00 0.00 H new ATOM 0 HG2 MET A 20 -9.884 -4.956 0.126 1.00 0.00 H new ATOM 0 HG3 MET A 20 -10.390 -3.622 -0.892 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.399 -5.901 -1.481 1.00 0.00 H new ATOM 0 HE2 MET A 20 -6.871 -5.018 -0.010 1.00 0.00 H new ATOM 0 HE3 MET A 20 -7.692 -6.538 -0.437 1.00 0.00 H new ATOM 331 N VAL A 21 -7.911 -1.597 2.944 1.00 0.00 N ATOM 332 CA VAL A 21 -6.990 -0.711 3.645 1.00 0.00 C ATOM 333 C VAL A 21 -6.658 -1.251 5.032 1.00 0.00 C ATOM 334 O VAL A 21 -5.537 -1.102 5.515 1.00 0.00 O ATOM 335 CB VAL A 21 -7.560 0.719 3.769 1.00 0.00 C ATOM 336 CG1 VAL A 21 -8.081 1.199 2.428 1.00 0.00 C ATOM 337 CG2 VAL A 21 -8.658 0.787 4.821 1.00 0.00 C ATOM 0 H VAL A 21 -8.816 -1.180 2.726 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.077 -0.669 3.052 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.751 1.376 4.087 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.479 2.208 2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.268 1.203 1.702 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.871 0.531 2.084 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.039 1.806 4.884 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.469 0.113 4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.254 0.490 5.789 1.00 0.00 H new ATOM 347 N LYS A 22 -7.641 -1.881 5.664 1.00 0.00 N ATOM 348 CA LYS A 22 -7.446 -2.445 6.993 1.00 0.00 C ATOM 349 C LYS A 22 -6.382 -3.537 6.961 1.00 0.00 C ATOM 350 O LYS A 22 -5.371 -3.458 7.663 1.00 0.00 O ATOM 351 CB LYS A 22 -8.761 -3.011 7.530 1.00 0.00 C ATOM 352 CG LYS A 22 -9.637 -1.973 8.214 1.00 0.00 C ATOM 353 CD LYS A 22 -9.070 -1.565 9.563 1.00 0.00 C ATOM 354 CE LYS A 22 -9.921 -0.493 10.225 1.00 0.00 C ATOM 355 NZ LYS A 22 -10.812 -1.061 11.274 1.00 0.00 N ATOM 0 H LYS A 22 -8.576 -2.014 5.280 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.109 -1.648 7.656 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.318 -3.458 6.706 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.541 -3.811 8.237 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.727 -1.094 7.576 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.642 -2.374 8.347 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.012 -2.438 10.213 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.053 -1.195 9.434 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.273 0.262 10.669 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.525 0.010 9.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.375 -0.298 11.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.448 -1.763 10.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.235 -1.519 12.009 1.00 0.00 H new ATOM 369 N LYS A 23 -6.614 -4.554 6.135 1.00 0.00 N ATOM 370 CA LYS A 23 -5.675 -5.661 6.002 1.00 0.00 C ATOM 371 C LYS A 23 -4.298 -5.152 5.593 1.00 0.00 C ATOM 372 O LYS A 23 -3.278 -5.763 5.916 1.00 0.00 O ATOM 373 CB LYS A 23 -6.185 -6.669 4.970 1.00 0.00 C ATOM 374 CG LYS A 23 -7.574 -7.204 5.276 1.00 0.00 C ATOM 375 CD LYS A 23 -8.231 -7.782 4.033 1.00 0.00 C ATOM 376 CE LYS A 23 -9.680 -8.161 4.294 1.00 0.00 C ATOM 377 NZ LYS A 23 -10.347 -8.678 3.067 1.00 0.00 N ATOM 0 H LYS A 23 -7.445 -4.633 5.548 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.591 -6.155 6.970 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.195 -6.197 3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.487 -7.504 4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.508 -7.973 6.046 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.194 -6.403 5.678 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.184 -7.054 3.223 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.678 -8.661 3.703 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.722 -8.918 5.077 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.222 -7.291 4.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.333 -8.925 3.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.329 -7.947 2.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.845 -9.524 2.729 1.00 0.00 H new ATOM 391 N CYS A 24 -4.274 -4.027 4.884 1.00 0.00 N ATOM 392 CA CYS A 24 -3.022 -3.434 4.433 1.00 0.00 C ATOM 393 C CYS A 24 -2.182 -2.985 5.624 1.00 0.00 C ATOM 394 O CYS A 24 -0.976 -3.227 5.672 1.00 0.00 O ATOM 395 CB CYS A 24 -3.298 -2.250 3.502 1.00 0.00 C ATOM 396 SG CYS A 24 -1.830 -1.292 3.053 1.00 0.00 S ATOM 0 H CYS A 24 -5.109 -3.509 4.610 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.463 -4.190 3.881 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.767 -2.622 2.591 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.017 -1.586 3.982 1.00 0.00 H new ATOM 0 HG CYS A 24 -1.483 -1.576 1.833 1.00 0.00 H new ATOM 402 N LEU A 25 -2.826 -2.331 6.584 1.00 0.00 N ATOM 403 CA LEU A 25 -2.134 -1.853 7.774 1.00 0.00 C ATOM 404 C LEU A 25 -1.473 -3.011 8.514 1.00 0.00 C ATOM 405 O LEU A 25 -0.407 -2.854 9.107 1.00 0.00 O ATOM 406 CB LEU A 25 -3.108 -1.128 8.702 1.00 0.00 C ATOM 407 CG LEU A 25 -2.463 -0.093 9.626 1.00 0.00 C ATOM 408 CD1 LEU A 25 -3.278 1.192 9.645 1.00 0.00 C ATOM 409 CD2 LEU A 25 -2.315 -0.653 11.033 1.00 0.00 C ATOM 0 H LEU A 25 -3.824 -2.120 6.561 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.360 -1.154 7.459 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.865 -0.631 8.095 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.625 -1.868 9.313 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.470 0.138 9.241 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.802 1.915 10.308 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.331 1.604 8.637 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.285 0.979 10.003 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.855 0.097 11.676 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.298 -0.914 11.426 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.687 -1.543 11.006 1.00 0.00 H new ATOM 421 N GLY A 26 -2.112 -4.175 8.468 1.00 0.00 N ATOM 422 CA GLY A 26 -1.569 -5.345 9.136 1.00 0.00 C ATOM 423 C GLY A 26 -0.438 -5.988 8.356 1.00 0.00 C ATOM 424 O GLY A 26 0.612 -6.303 8.917 1.00 0.00 O ATOM 0 H GLY A 26 -2.995 -4.330 7.981 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.208 -5.060 10.124 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.364 -6.076 9.285 1.00 0.00 H new ATOM 428 N GLU A 27 -0.652 -6.186 7.058 1.00 0.00 N ATOM 429 CA GLU A 27 0.357 -6.798 6.200 1.00 0.00 C ATOM 430 C GLU A 27 1.643 -5.976 6.197 1.00 0.00 C ATOM 431 O GLU A 27 2.730 -6.505 6.433 1.00 0.00 O ATOM 432 CB GLU A 27 -0.173 -6.938 4.772 1.00 0.00 C ATOM 433 CG GLU A 27 -0.969 -8.211 4.541 1.00 0.00 C ATOM 434 CD GLU A 27 -0.602 -8.902 3.242 1.00 0.00 C ATOM 435 OE1 GLU A 27 -0.867 -8.326 2.167 1.00 0.00 O ATOM 436 OE2 GLU A 27 -0.049 -10.021 3.300 1.00 0.00 O ATOM 0 H GLU A 27 -1.515 -5.931 6.578 1.00 0.00 H new ATOM 0 HA GLU A 27 0.580 -7.788 6.597 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.803 -6.079 4.541 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.667 -6.913 4.078 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.801 -8.896 5.372 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.033 -7.973 4.534 1.00 0.00 H new ATOM 443 N LEU A 28 1.512 -4.681 5.928 1.00 0.00 N ATOM 444 CA LEU A 28 2.664 -3.789 5.893 1.00 0.00 C ATOM 445 C LEU A 28 3.428 -3.832 7.214 1.00 0.00 C ATOM 446 O LEU A 28 4.653 -3.709 7.235 1.00 0.00 O ATOM 447 CB LEU A 28 2.223 -2.356 5.587 1.00 0.00 C ATOM 448 CG LEU A 28 2.079 -2.032 4.098 1.00 0.00 C ATOM 449 CD1 LEU A 28 1.734 -0.563 3.906 1.00 0.00 C ATOM 450 CD2 LEU A 28 3.356 -2.384 3.349 1.00 0.00 C ATOM 0 H LEU A 28 0.620 -4.227 5.731 1.00 0.00 H new ATOM 0 HA LEU A 28 3.329 -4.130 5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.268 -2.172 6.078 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.945 -1.667 6.026 1.00 0.00 H new ATOM 0 HG LEU A 28 1.266 -2.633 3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.635 -0.349 2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.793 -0.341 4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.526 0.055 4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.235 -2.147 2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.187 -1.809 3.757 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.562 -3.449 3.461 1.00 0.00 H new ATOM 462 N THR A 29 2.701 -4.017 8.312 1.00 0.00 N ATOM 463 CA THR A 29 3.322 -4.084 9.629 1.00 0.00 C ATOM 464 C THR A 29 4.316 -5.240 9.689 1.00 0.00 C ATOM 465 O THR A 29 5.327 -5.165 10.385 1.00 0.00 O ATOM 466 CB THR A 29 2.258 -4.247 10.717 1.00 0.00 C ATOM 467 OG1 THR A 29 1.397 -3.124 10.746 1.00 0.00 O ATOM 468 CG2 THR A 29 2.837 -4.413 12.106 1.00 0.00 C ATOM 0 H THR A 29 1.686 -4.123 8.316 1.00 0.00 H new ATOM 0 HA THR A 29 3.858 -3.151 9.804 1.00 0.00 H new ATOM 0 HB THR A 29 1.718 -5.157 10.456 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.971 -3.016 9.870 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.027 -4.523 12.827 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.470 -5.300 12.133 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.432 -3.535 12.360 1.00 0.00 H new ATOM 476 N GLU A 30 4.022 -6.303 8.947 1.00 0.00 N ATOM 477 CA GLU A 30 4.892 -7.473 8.911 1.00 0.00 C ATOM 478 C GLU A 30 6.203 -7.146 8.201 1.00 0.00 C ATOM 479 O GLU A 30 7.282 -7.281 8.778 1.00 0.00 O ATOM 480 CB GLU A 30 4.192 -8.637 8.208 1.00 0.00 C ATOM 481 CG GLU A 30 2.968 -9.148 8.951 1.00 0.00 C ATOM 482 CD GLU A 30 2.554 -10.536 8.507 1.00 0.00 C ATOM 483 OE1 GLU A 30 2.203 -10.700 7.321 1.00 0.00 O ATOM 484 OE2 GLU A 30 2.581 -11.461 9.346 1.00 0.00 O ATOM 0 H GLU A 30 3.189 -6.378 8.363 1.00 0.00 H new ATOM 0 HA GLU A 30 5.115 -7.764 9.937 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.894 -8.321 7.208 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.901 -9.456 8.086 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.176 -9.160 10.021 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.139 -8.458 8.795 1.00 0.00 H new ATOM 491 N VAL A 31 6.101 -6.711 6.947 1.00 0.00 N ATOM 492 CA VAL A 31 7.281 -6.360 6.163 1.00 0.00 C ATOM 493 C VAL A 31 8.117 -5.306 6.881 1.00 0.00 C ATOM 494 O VAL A 31 9.343 -5.305 6.791 1.00 0.00 O ATOM 495 CB VAL A 31 6.897 -5.840 4.766 1.00 0.00 C ATOM 496 CG1 VAL A 31 5.923 -4.684 4.883 1.00 0.00 C ATOM 497 CG2 VAL A 31 8.135 -5.428 3.979 1.00 0.00 C ATOM 0 H VAL A 31 5.216 -6.594 6.454 1.00 0.00 H new ATOM 0 HA VAL A 31 7.869 -7.270 6.047 1.00 0.00 H new ATOM 0 HB VAL A 31 6.409 -6.648 4.221 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.661 -4.327 3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.022 -5.018 5.398 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.385 -3.875 5.449 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.837 -5.064 2.996 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.660 -4.637 4.515 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.795 -6.288 3.863 1.00 0.00 H new ATOM 507 N CYS A 32 7.443 -4.411 7.596 1.00 0.00 N ATOM 508 CA CYS A 32 8.122 -3.353 8.334 1.00 0.00 C ATOM 509 C CYS A 32 9.127 -3.944 9.319 1.00 0.00 C ATOM 510 O CYS A 32 10.282 -3.521 9.373 1.00 0.00 O ATOM 511 CB CYS A 32 7.105 -2.489 9.081 1.00 0.00 C ATOM 512 SG CYS A 32 6.385 -1.166 8.080 1.00 0.00 S ATOM 0 H CYS A 32 6.427 -4.398 7.680 1.00 0.00 H new ATOM 0 HA CYS A 32 8.660 -2.729 7.620 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.303 -3.128 9.451 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.589 -2.048 9.953 1.00 0.00 H new ATOM 0 HG CYS A 32 5.408 -1.643 7.368 1.00 0.00 H new ATOM 518 N LYS A 33 8.680 -4.928 10.092 1.00 0.00 N ATOM 519 CA LYS A 33 9.540 -5.581 11.073 1.00 0.00 C ATOM 520 C LYS A 33 10.649 -6.367 10.381 1.00 0.00 C ATOM 521 O LYS A 33 11.803 -6.335 10.804 1.00 0.00 O ATOM 522 CB LYS A 33 8.720 -6.516 11.966 1.00 0.00 C ATOM 523 CG LYS A 33 7.377 -5.939 12.384 1.00 0.00 C ATOM 524 CD LYS A 33 7.056 -6.266 13.834 1.00 0.00 C ATOM 525 CE LYS A 33 5.989 -5.336 14.391 1.00 0.00 C ATOM 526 NZ LYS A 33 6.137 -5.139 15.860 1.00 0.00 N ATOM 0 H LYS A 33 7.727 -5.291 10.058 1.00 0.00 H new ATOM 0 HA LYS A 33 9.994 -4.807 11.692 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.554 -7.455 11.438 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.299 -6.751 12.859 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.386 -4.858 12.247 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.593 -6.335 11.739 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.715 -7.299 13.909 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.961 -6.185 14.436 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.049 -4.371 13.887 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.002 -5.746 14.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.274 -5.462 16.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.952 -5.687 16.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.289 -4.130 16.061 1.00 0.00 H new ATOM 540 N SER A 34 10.288 -7.070 9.311 1.00 0.00 N ATOM 541 CA SER A 34 11.250 -7.864 8.556 1.00 0.00 C ATOM 542 C SER A 34 12.395 -6.991 8.052 1.00 0.00 C ATOM 543 O SER A 34 13.530 -7.451 7.926 1.00 0.00 O ATOM 544 CB SER A 34 10.563 -8.554 7.377 1.00 0.00 C ATOM 545 OG SER A 34 9.355 -9.175 7.783 1.00 0.00 O ATOM 0 H SER A 34 9.335 -7.105 8.948 1.00 0.00 H new ATOM 0 HA SER A 34 11.659 -8.624 9.222 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.355 -7.824 6.595 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.232 -9.299 6.947 1.00 0.00 H new ATOM 0 HG SER A 34 8.673 -8.490 7.945 1.00 0.00 H new ATOM 551 N LEU A 35 12.089 -5.731 7.768 1.00 0.00 N ATOM 552 CA LEU A 35 13.092 -4.791 7.280 1.00 0.00 C ATOM 553 C LEU A 35 13.985 -4.310 8.419 1.00 0.00 C ATOM 554 O LEU A 35 15.144 -3.955 8.204 1.00 0.00 O ATOM 555 CB LEU A 35 12.416 -3.595 6.605 1.00 0.00 C ATOM 556 CG LEU A 35 11.838 -3.875 5.217 1.00 0.00 C ATOM 557 CD1 LEU A 35 11.051 -2.674 4.714 1.00 0.00 C ATOM 558 CD2 LEU A 35 12.949 -4.238 4.241 1.00 0.00 C ATOM 0 H LEU A 35 11.154 -5.336 7.867 1.00 0.00 H new ATOM 0 HA LEU A 35 13.713 -5.308 6.548 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.613 -3.239 7.251 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.142 -2.786 6.523 1.00 0.00 H new ATOM 0 HG LEU A 35 11.157 -4.722 5.291 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.647 -2.892 3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.232 -2.462 5.401 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.709 -1.807 4.654 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.520 -4.434 3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.656 -3.411 4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.468 -5.129 4.595 1.00 0.00 H new ATOM 570 N GLY A 36 13.438 -4.302 9.630 1.00 0.00 N ATOM 571 CA GLY A 36 14.199 -3.862 10.785 1.00 0.00 C ATOM 572 C GLY A 36 15.240 -4.877 11.223 1.00 0.00 C ATOM 573 O GLY A 36 16.190 -4.534 11.927 1.00 0.00 O ATOM 0 H GLY A 36 12.481 -4.592 9.832 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.693 -2.919 10.551 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.516 -3.668 11.612 1.00 0.00 H new ATOM 577 N LYS A 37 15.062 -6.127 10.809 1.00 0.00 N ATOM 578 CA LYS A 37 15.995 -7.189 11.169 1.00 0.00 C ATOM 579 C LYS A 37 17.113 -7.316 10.137 1.00 0.00 C ATOM 580 O LYS A 37 18.234 -7.701 10.467 1.00 0.00 O ATOM 581 CB LYS A 37 15.257 -8.522 11.301 1.00 0.00 C ATOM 582 CG LYS A 37 14.428 -8.884 10.079 1.00 0.00 C ATOM 583 CD LYS A 37 14.053 -10.357 10.074 1.00 0.00 C ATOM 584 CE LYS A 37 15.118 -11.200 9.390 1.00 0.00 C ATOM 585 NZ LYS A 37 14.553 -12.455 8.824 1.00 0.00 N ATOM 0 H LYS A 37 14.282 -6.429 10.225 1.00 0.00 H new ATOM 0 HA LYS A 37 16.442 -6.929 12.128 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.984 -9.313 11.484 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.604 -8.481 12.173 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.523 -8.277 10.060 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.989 -8.648 9.175 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.916 -10.702 11.099 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.099 -10.489 9.563 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.584 -10.620 8.593 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.902 -11.445 10.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.311 -13.001 8.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.131 -13.021 9.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.822 -12.221 8.122 1.00 0.00 H new ATOM 599 N VAL A 38 16.801 -6.991 8.886 1.00 0.00 N ATOM 600 CA VAL A 38 17.781 -7.072 7.809 1.00 0.00 C ATOM 601 C VAL A 38 18.620 -5.802 7.725 1.00 0.00 C ATOM 602 O VAL A 38 19.779 -5.838 7.312 1.00 0.00 O ATOM 603 CB VAL A 38 17.106 -7.318 6.450 1.00 0.00 C ATOM 604 CG1 VAL A 38 16.575 -8.741 6.364 1.00 0.00 C ATOM 605 CG2 VAL A 38 15.995 -6.311 6.221 1.00 0.00 C ATOM 0 H VAL A 38 15.878 -6.669 8.594 1.00 0.00 H new ATOM 0 HA VAL A 38 18.430 -7.916 8.041 1.00 0.00 H new ATOM 0 HB VAL A 38 17.851 -7.189 5.665 1.00 0.00 H new ATOM 0 HG11 VAL A 38 16.101 -8.895 5.395 1.00 0.00 H new ATOM 0 HG12 VAL A 38 17.399 -9.445 6.480 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.844 -8.905 7.155 1.00 0.00 H new ATOM 0 HG21 VAL A 38 15.527 -6.499 5.255 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.249 -6.407 7.010 1.00 0.00 H new ATOM 0 HG23 VAL A 38 16.409 -5.303 6.234 1.00 0.00 H new ATOM 615 N PHE A 39 18.029 -4.678 8.118 1.00 0.00 N ATOM 616 CA PHE A 39 18.724 -3.397 8.085 1.00 0.00 C ATOM 617 C PHE A 39 19.322 -3.062 9.448 1.00 0.00 C ATOM 618 O PHE A 39 20.316 -2.342 9.540 1.00 0.00 O ATOM 619 CB PHE A 39 17.771 -2.285 7.644 1.00 0.00 C ATOM 620 CG PHE A 39 17.583 -2.211 6.156 1.00 0.00 C ATOM 621 CD1 PHE A 39 18.562 -1.657 5.347 1.00 0.00 C ATOM 622 CD2 PHE A 39 16.428 -2.698 5.565 1.00 0.00 C ATOM 623 CE1 PHE A 39 18.393 -1.588 3.977 1.00 0.00 C ATOM 624 CE2 PHE A 39 16.252 -2.632 4.195 1.00 0.00 C ATOM 625 CZ PHE A 39 17.235 -2.077 3.400 1.00 0.00 C ATOM 0 H PHE A 39 17.070 -4.629 8.463 1.00 0.00 H new ATOM 0 HA PHE A 39 19.537 -3.475 7.364 1.00 0.00 H new ATOM 0 HB2 PHE A 39 16.801 -2.440 8.117 1.00 0.00 H new ATOM 0 HB3 PHE A 39 18.151 -1.328 8.002 1.00 0.00 H new ATOM 0 HD1 PHE A 39 19.468 -1.274 5.792 1.00 0.00 H new ATOM 0 HD2 PHE A 39 15.656 -3.134 6.182 1.00 0.00 H new ATOM 0 HE1 PHE A 39 19.164 -1.153 3.358 1.00 0.00 H new ATOM 0 HE2 PHE A 39 15.347 -3.014 3.747 1.00 0.00 H new ATOM 0 HZ PHE A 39 17.100 -2.025 2.330 1.00 0.00 H new ATOM 635 N GLY A 40 18.711 -3.589 10.505 1.00 0.00 N ATOM 636 CA GLY A 40 19.200 -3.334 11.846 1.00 0.00 C ATOM 637 C GLY A 40 18.500 -2.165 12.511 1.00 0.00 C ATOM 638 O GLY A 40 19.113 -1.419 13.273 1.00 0.00 O ATOM 0 H GLY A 40 17.887 -4.188 10.456 1.00 0.00 H new ATOM 0 HA2 GLY A 40 19.063 -4.228 12.454 1.00 0.00 H new ATOM 0 HA3 GLY A 40 20.271 -3.136 11.806 1.00 0.00 H new ATOM 642 N VAL A 41 17.212 -2.007 12.223 1.00 0.00 N ATOM 643 CA VAL A 41 16.427 -0.923 12.801 1.00 0.00 C ATOM 644 C VAL A 41 15.173 -1.457 13.483 1.00 0.00 C ATOM 645 O VAL A 41 14.729 -2.571 13.202 1.00 0.00 O ATOM 646 CB VAL A 41 16.021 0.113 11.735 1.00 0.00 C ATOM 647 CG1 VAL A 41 17.208 0.985 11.357 1.00 0.00 C ATOM 648 CG2 VAL A 41 15.446 -0.577 10.508 1.00 0.00 C ATOM 0 H VAL A 41 16.690 -2.616 11.593 1.00 0.00 H new ATOM 0 HA VAL A 41 17.060 -0.435 13.542 1.00 0.00 H new ATOM 0 HB VAL A 41 15.248 0.755 12.157 1.00 0.00 H new ATOM 0 HG11 VAL A 41 16.901 1.710 10.603 1.00 0.00 H new ATOM 0 HG12 VAL A 41 17.569 1.511 12.241 1.00 0.00 H new ATOM 0 HG13 VAL A 41 18.006 0.360 10.956 1.00 0.00 H new ATOM 0 HG21 VAL A 41 15.166 0.172 9.767 1.00 0.00 H new ATOM 0 HG22 VAL A 41 16.194 -1.246 10.083 1.00 0.00 H new ATOM 0 HG23 VAL A 41 14.565 -1.153 10.793 1.00 0.00 H new ATOM 658 N HIS A 42 14.608 -0.658 14.382 1.00 0.00 N ATOM 659 CA HIS A 42 13.405 -1.055 15.107 1.00 0.00 C ATOM 660 C HIS A 42 12.163 -0.908 14.234 1.00 0.00 C ATOM 661 O HIS A 42 12.181 -0.211 13.219 1.00 0.00 O ATOM 662 CB HIS A 42 13.253 -0.217 16.379 1.00 0.00 C ATOM 663 CG HIS A 42 13.744 -0.908 17.612 1.00 0.00 C ATOM 664 ND1 HIS A 42 14.884 -1.684 17.637 1.00 0.00 N ATOM 665 CD2 HIS A 42 13.243 -0.940 18.869 1.00 0.00 C ATOM 666 CE1 HIS A 42 15.062 -2.163 18.855 1.00 0.00 C ATOM 667 NE2 HIS A 42 14.081 -1.726 19.622 1.00 0.00 N ATOM 0 H HIS A 42 14.962 0.267 14.626 1.00 0.00 H new ATOM 0 HA HIS A 42 13.508 -2.105 15.380 1.00 0.00 H new ATOM 0 HB2 HIS A 42 13.798 0.719 16.255 1.00 0.00 H new ATOM 0 HB3 HIS A 42 12.202 0.041 16.511 1.00 0.00 H new ATOM 0 HD2 HIS A 42 12.350 -0.440 19.216 1.00 0.00 H new ATOM 0 HE1 HIS A 42 15.873 -2.803 19.170 1.00 0.00 H new ATOM 0 HE2 HIS A 42 13.964 -1.938 20.613 1.00 0.00 H new ATOM 676 N TYR A 43 11.083 -1.571 14.639 1.00 0.00 N ATOM 677 CA TYR A 43 9.827 -1.518 13.901 1.00 0.00 C ATOM 678 C TYR A 43 9.319 -0.082 13.785 1.00 0.00 C ATOM 679 O TYR A 43 8.575 0.249 12.863 1.00 0.00 O ATOM 680 CB TYR A 43 8.776 -2.397 14.590 1.00 0.00 C ATOM 681 CG TYR A 43 7.377 -2.234 14.035 1.00 0.00 C ATOM 682 CD1 TYR A 43 7.148 -2.223 12.664 1.00 0.00 C ATOM 683 CD2 TYR A 43 6.286 -2.091 14.883 1.00 0.00 C ATOM 684 CE1 TYR A 43 5.872 -2.072 12.155 1.00 0.00 C ATOM 685 CE2 TYR A 43 5.007 -1.941 14.381 1.00 0.00 C ATOM 686 CZ TYR A 43 4.805 -1.931 13.018 1.00 0.00 C ATOM 687 OH TYR A 43 3.533 -1.782 12.515 1.00 0.00 O ATOM 0 H TYR A 43 11.054 -2.152 15.477 1.00 0.00 H new ATOM 0 HA TYR A 43 10.006 -1.896 12.894 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.073 -3.442 14.497 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.763 -2.163 15.655 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.981 -2.334 11.985 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.440 -2.097 15.952 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.711 -2.064 11.087 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.170 -1.832 15.054 1.00 0.00 H new ATOM 0 HH TYR A 43 2.896 -1.696 13.255 1.00 0.00 H new ATOM 697 N PHE A 44 9.723 0.766 14.726 1.00 0.00 N ATOM 698 CA PHE A 44 9.304 2.164 14.726 1.00 0.00 C ATOM 699 C PHE A 44 10.297 3.043 13.964 1.00 0.00 C ATOM 700 O PHE A 44 10.271 4.268 14.086 1.00 0.00 O ATOM 701 CB PHE A 44 9.154 2.671 16.162 1.00 0.00 C ATOM 702 CG PHE A 44 7.736 2.658 16.656 1.00 0.00 C ATOM 703 CD1 PHE A 44 6.725 3.255 15.921 1.00 0.00 C ATOM 704 CD2 PHE A 44 7.413 2.047 17.858 1.00 0.00 C ATOM 705 CE1 PHE A 44 5.421 3.243 16.372 1.00 0.00 C ATOM 706 CE2 PHE A 44 6.109 2.033 18.315 1.00 0.00 C ATOM 707 CZ PHE A 44 5.112 2.632 17.572 1.00 0.00 C ATOM 0 H PHE A 44 10.339 0.510 15.497 1.00 0.00 H new ATOM 0 HA PHE A 44 8.340 2.224 14.220 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.766 2.056 16.822 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.542 3.688 16.223 1.00 0.00 H new ATOM 0 HD1 PHE A 44 6.960 3.736 14.983 1.00 0.00 H new ATOM 0 HD2 PHE A 44 8.189 1.577 18.444 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.643 3.711 15.787 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.870 1.554 19.253 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.092 2.623 17.928 1.00 0.00 H new ATOM 717 N ASN A 45 11.168 2.416 13.178 1.00 0.00 N ATOM 718 CA ASN A 45 12.160 3.149 12.402 1.00 0.00 C ATOM 719 C ASN A 45 11.776 3.190 10.925 1.00 0.00 C ATOM 720 O ASN A 45 12.136 4.122 10.207 1.00 0.00 O ATOM 721 CB ASN A 45 13.542 2.511 12.569 1.00 0.00 C ATOM 722 CG ASN A 45 14.545 3.460 13.196 1.00 0.00 C ATOM 723 OD1 ASN A 45 15.104 4.326 12.523 1.00 0.00 O ATOM 724 ND2 ASN A 45 14.779 3.300 14.495 1.00 0.00 N ATOM 0 H ASN A 45 11.206 1.403 13.063 1.00 0.00 H new ATOM 0 HA ASN A 45 12.194 4.172 12.776 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.455 1.618 13.188 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.910 2.189 11.595 1.00 0.00 H new ATOM 0 HD21 ASN A 45 15.444 3.908 14.972 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.293 2.569 15.014 1.00 0.00 H new ATOM 731 N ILE A 46 11.047 2.171 10.479 1.00 0.00 N ATOM 732 CA ILE A 46 10.618 2.093 9.088 1.00 0.00 C ATOM 733 C ILE A 46 9.548 3.135 8.783 1.00 0.00 C ATOM 734 O ILE A 46 9.783 4.076 8.024 1.00 0.00 O ATOM 735 CB ILE A 46 10.063 0.696 8.750 1.00 0.00 C ATOM 736 CG1 ILE A 46 11.047 -0.388 9.189 1.00 0.00 C ATOM 737 CG2 ILE A 46 9.772 0.585 7.259 1.00 0.00 C ATOM 738 CD1 ILE A 46 12.360 -0.353 8.439 1.00 0.00 C ATOM 0 H ILE A 46 10.742 1.390 11.060 1.00 0.00 H new ATOM 0 HA ILE A 46 11.498 2.287 8.475 1.00 0.00 H new ATOM 0 HB ILE A 46 9.129 0.553 9.293 1.00 0.00 H new ATOM 0 HG12 ILE A 46 11.244 -0.278 10.255 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.584 -1.365 9.050 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.381 -0.408 7.038 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.036 1.337 6.975 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.691 0.747 6.696 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.008 -1.150 8.803 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.175 -0.494 7.374 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.845 0.610 8.599 1.00 0.00 H new ATOM 750 N PHE A 47 8.374 2.963 9.382 1.00 0.00 N ATOM 751 CA PHE A 47 7.266 3.888 9.174 1.00 0.00 C ATOM 752 C PHE A 47 6.551 4.183 10.489 1.00 0.00 C ATOM 753 O PHE A 47 6.752 3.489 11.485 1.00 0.00 O ATOM 754 CB PHE A 47 6.272 3.310 8.161 1.00 0.00 C ATOM 755 CG PHE A 47 6.779 3.280 6.743 1.00 0.00 C ATOM 756 CD1 PHE A 47 7.692 4.220 6.286 1.00 0.00 C ATOM 757 CD2 PHE A 47 6.337 2.304 5.864 1.00 0.00 C ATOM 758 CE1 PHE A 47 8.152 4.186 4.984 1.00 0.00 C ATOM 759 CE2 PHE A 47 6.793 2.266 4.560 1.00 0.00 C ATOM 760 CZ PHE A 47 7.701 3.207 4.120 1.00 0.00 C ATOM 0 H PHE A 47 8.165 2.191 10.016 1.00 0.00 H new ATOM 0 HA PHE A 47 7.673 4.820 8.783 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.012 2.295 8.463 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.354 3.897 8.194 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.047 4.988 6.957 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.627 1.564 6.202 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.863 4.924 4.642 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.439 1.500 3.886 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.059 3.178 3.101 1.00 0.00 H new ATOM 770 N ASN A 48 5.716 5.216 10.482 1.00 0.00 N ATOM 771 CA ASN A 48 4.966 5.604 11.671 1.00 0.00 C ATOM 772 C ASN A 48 3.531 5.095 11.598 1.00 0.00 C ATOM 773 O ASN A 48 3.058 4.692 10.536 1.00 0.00 O ATOM 774 CB ASN A 48 4.974 7.125 11.831 1.00 0.00 C ATOM 775 CG ASN A 48 6.377 7.699 11.850 1.00 0.00 C ATOM 776 OD1 ASN A 48 7.328 7.054 11.412 1.00 0.00 O ATOM 777 ND2 ASN A 48 6.510 8.918 12.360 1.00 0.00 N ATOM 0 H ASN A 48 5.541 5.801 9.665 1.00 0.00 H new ATOM 0 HA ASN A 48 5.448 5.153 12.538 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.411 7.576 11.014 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.463 7.393 12.756 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.430 9.357 12.400 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.692 9.416 12.712 1.00 0.00 H new ATOM 784 N THR A 49 2.840 5.115 12.735 1.00 0.00 N ATOM 785 CA THR A 49 1.456 4.656 12.799 1.00 0.00 C ATOM 786 C THR A 49 0.594 5.372 11.763 1.00 0.00 C ATOM 787 O THR A 49 -0.196 4.744 11.058 1.00 0.00 O ATOM 788 CB THR A 49 0.885 4.886 14.199 1.00 0.00 C ATOM 789 OG1 THR A 49 1.804 4.460 15.191 1.00 0.00 O ATOM 790 CG2 THR A 49 -0.420 4.160 14.439 1.00 0.00 C ATOM 0 H THR A 49 3.216 5.444 13.624 1.00 0.00 H new ATOM 0 HA THR A 49 1.445 3.589 12.579 1.00 0.00 H new ATOM 0 HB THR A 49 0.702 5.959 14.265 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.422 4.617 16.080 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.770 4.366 15.451 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.165 4.503 13.721 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.267 3.087 14.319 1.00 0.00 H new ATOM 798 N VAL A 50 0.753 6.688 11.677 1.00 0.00 N ATOM 799 CA VAL A 50 -0.010 7.489 10.727 1.00 0.00 C ATOM 800 C VAL A 50 0.462 7.244 9.294 1.00 0.00 C ATOM 801 O VAL A 50 -0.295 7.431 8.342 1.00 0.00 O ATOM 802 CB VAL A 50 0.094 8.991 11.047 1.00 0.00 C ATOM 803 CG1 VAL A 50 1.541 9.445 10.998 1.00 0.00 C ATOM 804 CG2 VAL A 50 -0.765 9.807 10.091 1.00 0.00 C ATOM 0 H VAL A 50 1.403 7.223 12.253 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.052 7.181 10.817 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.281 9.155 12.057 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.596 10.509 11.227 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.123 8.886 11.731 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.945 9.267 10.001 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.676 10.866 10.335 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.428 9.641 9.068 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.806 9.499 10.184 1.00 0.00 H new ATOM 814 N THR A 51 1.716 6.827 9.151 1.00 0.00 N ATOM 815 CA THR A 51 2.286 6.559 7.835 1.00 0.00 C ATOM 816 C THR A 51 1.709 5.279 7.239 1.00 0.00 C ATOM 817 O THR A 51 1.268 5.261 6.089 1.00 0.00 O ATOM 818 CB THR A 51 3.807 6.449 7.928 1.00 0.00 C ATOM 819 OG1 THR A 51 4.338 7.506 8.710 1.00 0.00 O ATOM 820 CG2 THR A 51 4.492 6.488 6.580 1.00 0.00 C ATOM 0 H THR A 51 2.356 6.667 9.929 1.00 0.00 H new ATOM 0 HA THR A 51 2.027 7.391 7.181 1.00 0.00 H new ATOM 0 HB THR A 51 4.000 5.480 8.388 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.471 8.296 8.145 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.570 6.406 6.717 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.139 5.657 5.969 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.261 7.429 6.081 1.00 0.00 H new ATOM 828 N LEU A 52 1.717 4.207 8.026 1.00 0.00 N ATOM 829 CA LEU A 52 1.196 2.922 7.573 1.00 0.00 C ATOM 830 C LEU A 52 -0.255 3.049 7.119 1.00 0.00 C ATOM 831 O LEU A 52 -0.623 2.575 6.044 1.00 0.00 O ATOM 832 CB LEU A 52 1.303 1.882 8.690 1.00 0.00 C ATOM 833 CG LEU A 52 2.729 1.552 9.134 1.00 0.00 C ATOM 834 CD1 LEU A 52 2.715 0.507 10.240 1.00 0.00 C ATOM 835 CD2 LEU A 52 3.556 1.069 7.953 1.00 0.00 C ATOM 0 H LEU A 52 2.078 4.203 8.980 1.00 0.00 H new ATOM 0 HA LEU A 52 1.796 2.597 6.723 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.744 2.241 9.554 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.821 0.963 8.357 1.00 0.00 H new ATOM 0 HG LEU A 52 3.187 2.460 9.526 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.738 0.285 10.543 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.158 0.890 11.095 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.239 -0.403 9.875 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.568 0.839 8.287 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.100 0.173 7.532 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.594 1.849 7.192 1.00 0.00 H new ATOM 847 N LYS A 53 -1.075 3.693 7.944 1.00 0.00 N ATOM 848 CA LYS A 53 -2.485 3.882 7.621 1.00 0.00 C ATOM 849 C LYS A 53 -2.646 4.625 6.298 1.00 0.00 C ATOM 850 O LYS A 53 -3.655 4.474 5.609 1.00 0.00 O ATOM 851 CB LYS A 53 -3.190 4.650 8.741 1.00 0.00 C ATOM 852 CG LYS A 53 -2.547 5.990 9.059 1.00 0.00 C ATOM 853 CD LYS A 53 -3.388 6.789 10.043 1.00 0.00 C ATOM 854 CE LYS A 53 -3.456 6.111 11.402 1.00 0.00 C ATOM 855 NZ LYS A 53 -4.862 5.888 11.840 1.00 0.00 N ATOM 0 H LYS A 53 -0.789 4.092 8.838 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.943 2.898 7.522 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.230 4.814 8.459 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.197 4.037 9.642 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.553 5.829 9.475 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.419 6.561 8.140 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.967 7.788 10.155 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.396 6.911 9.646 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.933 5.156 11.358 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.938 6.724 12.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.866 5.424 12.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.354 6.802 11.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.349 5.282 11.149 1.00 0.00 H new ATOM 869 N LYS A 54 -1.644 5.427 5.946 1.00 0.00 N ATOM 870 CA LYS A 54 -1.675 6.188 4.704 1.00 0.00 C ATOM 871 C LYS A 54 -1.630 5.255 3.495 1.00 0.00 C ATOM 872 O LYS A 54 -2.530 5.270 2.656 1.00 0.00 O ATOM 873 CB LYS A 54 -0.507 7.177 4.656 1.00 0.00 C ATOM 874 CG LYS A 54 -0.944 8.626 4.518 1.00 0.00 C ATOM 875 CD LYS A 54 -1.471 9.179 5.833 1.00 0.00 C ATOM 876 CE LYS A 54 -1.356 10.694 5.885 1.00 0.00 C ATOM 877 NZ LYS A 54 -1.673 11.230 7.238 1.00 0.00 N ATOM 0 H LYS A 54 -0.802 5.565 6.504 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.610 6.748 4.670 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.087 7.070 5.564 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.142 6.920 3.819 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.102 9.230 4.180 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.718 8.702 3.754 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.514 8.887 5.960 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.914 8.742 6.662 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.345 10.991 5.605 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.032 11.135 5.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.139 12.155 7.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.308 10.571 7.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.794 11.338 7.783 1.00 0.00 H new ATOM 891 N LEU A 55 -0.583 4.438 3.418 1.00 0.00 N ATOM 892 CA LEU A 55 -0.432 3.490 2.316 1.00 0.00 C ATOM 893 C LEU A 55 -1.670 2.607 2.171 1.00 0.00 C ATOM 894 O LEU A 55 -1.951 2.092 1.088 1.00 0.00 O ATOM 895 CB LEU A 55 0.809 2.616 2.519 1.00 0.00 C ATOM 896 CG LEU A 55 2.113 3.183 1.947 1.00 0.00 C ATOM 897 CD1 LEU A 55 2.889 3.967 2.989 1.00 0.00 C ATOM 898 CD2 LEU A 55 2.975 2.063 1.398 1.00 0.00 C ATOM 0 H LEU A 55 0.172 4.413 4.103 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.312 4.069 1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.944 2.448 3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.625 1.643 2.064 1.00 0.00 H new ATOM 0 HG LEU A 55 1.848 3.867 1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.807 4.353 2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.281 4.798 3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.137 3.314 3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.898 2.479 0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.212 1.361 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.435 1.543 0.607 1.00 0.00 H new ATOM 910 N ALA A 56 -2.404 2.432 3.264 1.00 0.00 N ATOM 911 CA ALA A 56 -3.607 1.609 3.251 1.00 0.00 C ATOM 912 C ALA A 56 -4.809 2.393 2.736 1.00 0.00 C ATOM 913 O ALA A 56 -5.517 1.941 1.838 1.00 0.00 O ATOM 914 CB ALA A 56 -3.888 1.064 4.642 1.00 0.00 C ATOM 0 H ALA A 56 -2.187 2.849 4.169 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.436 0.774 2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.789 0.451 4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.045 0.457 4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.032 1.893 5.335 1.00 0.00 H new ATOM 920 N GLU A 57 -5.037 3.571 3.308 1.00 0.00 N ATOM 921 CA GLU A 57 -6.159 4.414 2.900 1.00 0.00 C ATOM 922 C GLU A 57 -6.231 4.531 1.377 1.00 0.00 C ATOM 923 O GLU A 57 -7.308 4.709 0.809 1.00 0.00 O ATOM 924 CB GLU A 57 -6.034 5.805 3.526 1.00 0.00 C ATOM 925 CG GLU A 57 -6.027 5.787 5.046 1.00 0.00 C ATOM 926 CD GLU A 57 -7.153 6.606 5.648 1.00 0.00 C ATOM 927 OE1 GLU A 57 -8.291 6.511 5.141 1.00 0.00 O ATOM 928 OE2 GLU A 57 -6.897 7.342 6.624 1.00 0.00 O ATOM 0 H GLU A 57 -4.462 3.964 4.053 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.078 3.946 3.253 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.116 6.273 3.172 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.861 6.426 3.182 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.107 4.757 5.393 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.072 6.171 5.405 1.00 0.00 H new ATOM 935 N SER A 58 -5.077 4.425 0.724 1.00 0.00 N ATOM 936 CA SER A 58 -5.008 4.512 -0.729 1.00 0.00 C ATOM 937 C SER A 58 -5.119 3.127 -1.360 1.00 0.00 C ATOM 938 O SER A 58 -5.862 2.930 -2.322 1.00 0.00 O ATOM 939 CB SER A 58 -3.698 5.179 -1.161 1.00 0.00 C ATOM 940 OG SER A 58 -3.586 5.213 -2.574 1.00 0.00 O ATOM 0 H SER A 58 -4.176 4.279 1.180 1.00 0.00 H new ATOM 0 HA SER A 58 -5.846 5.118 -1.073 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.655 6.194 -0.765 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.853 4.636 -0.739 1.00 0.00 H new ATOM 0 HG SER A 58 -2.743 5.644 -2.825 1.00 0.00 H new ATOM 946 N LEU A 59 -4.377 2.170 -0.810 1.00 0.00 N ATOM 947 CA LEU A 59 -4.392 0.798 -1.312 1.00 0.00 C ATOM 948 C LEU A 59 -3.798 0.722 -2.717 1.00 0.00 C ATOM 949 O LEU A 59 -4.353 0.075 -3.606 1.00 0.00 O ATOM 950 CB LEU A 59 -5.828 0.250 -1.309 1.00 0.00 C ATOM 951 CG LEU A 59 -6.047 -1.048 -0.517 1.00 0.00 C ATOM 952 CD1 LEU A 59 -5.679 -2.256 -1.360 1.00 0.00 C ATOM 953 CD2 LEU A 59 -5.249 -1.045 0.780 1.00 0.00 C ATOM 0 H LEU A 59 -3.756 2.319 -0.015 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.777 0.186 -0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.488 1.017 -0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.134 0.079 -2.341 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.105 -1.108 -0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.841 -3.166 -0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.302 -2.279 -2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.630 -2.192 -1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.425 -1.977 1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.187 -0.952 0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.563 -0.204 1.398 1.00 0.00 H new ATOM 965 N SER A 60 -2.660 1.381 -2.909 1.00 0.00 N ATOM 966 CA SER A 60 -1.985 1.384 -4.201 1.00 0.00 C ATOM 967 C SER A 60 -0.476 1.251 -4.022 1.00 0.00 C ATOM 968 O SER A 60 0.113 1.893 -3.153 1.00 0.00 O ATOM 969 CB SER A 60 -2.310 2.667 -4.969 1.00 0.00 C ATOM 970 OG SER A 60 -3.655 3.060 -4.758 1.00 0.00 O ATOM 0 H SER A 60 -2.186 1.920 -2.185 1.00 0.00 H new ATOM 0 HA SER A 60 -2.343 0.529 -4.774 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.640 3.465 -4.650 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.136 2.511 -6.034 1.00 0.00 H new ATOM 0 HG SER A 60 -3.687 3.762 -4.075 1.00 0.00 H new ATOM 976 N SER A 61 0.145 0.411 -4.846 1.00 0.00 N ATOM 977 CA SER A 61 1.586 0.196 -4.766 1.00 0.00 C ATOM 978 C SER A 61 2.327 1.056 -5.785 1.00 0.00 C ATOM 979 O SER A 61 2.666 0.595 -6.875 1.00 0.00 O ATOM 980 CB SER A 61 1.913 -1.281 -4.994 1.00 0.00 C ATOM 981 OG SER A 61 0.949 -1.892 -5.834 1.00 0.00 O ATOM 0 H SER A 61 -0.324 -0.129 -5.573 1.00 0.00 H new ATOM 0 HA SER A 61 1.916 0.487 -3.769 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.902 -1.373 -5.443 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.948 -1.801 -4.037 1.00 0.00 H new ATOM 0 HG SER A 61 0.460 -2.574 -5.328 1.00 0.00 H new ATOM 987 N ASP A 62 2.589 2.306 -5.415 1.00 0.00 N ATOM 988 CA ASP A 62 3.304 3.232 -6.286 1.00 0.00 C ATOM 989 C ASP A 62 4.508 3.823 -5.557 1.00 0.00 C ATOM 990 O ASP A 62 4.520 3.893 -4.333 1.00 0.00 O ATOM 991 CB ASP A 62 2.370 4.349 -6.758 1.00 0.00 C ATOM 992 CG ASP A 62 2.234 4.389 -8.267 1.00 0.00 C ATOM 993 OD1 ASP A 62 1.910 3.342 -8.863 1.00 0.00 O ATOM 994 OD2 ASP A 62 2.453 5.471 -8.854 1.00 0.00 O ATOM 0 H ASP A 62 2.316 2.701 -4.515 1.00 0.00 H new ATOM 0 HA ASP A 62 3.659 2.683 -7.158 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.386 4.209 -6.311 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.748 5.308 -6.404 1.00 0.00 H new ATOM 999 N PRO A 63 5.543 4.253 -6.297 1.00 0.00 N ATOM 1000 CA PRO A 63 6.750 4.831 -5.708 1.00 0.00 C ATOM 1001 C PRO A 63 6.563 6.294 -5.309 1.00 0.00 C ATOM 1002 O PRO A 63 6.945 6.700 -4.212 1.00 0.00 O ATOM 1003 CB PRO A 63 7.800 4.711 -6.824 1.00 0.00 C ATOM 1004 CG PRO A 63 7.112 4.048 -7.982 1.00 0.00 C ATOM 1005 CD PRO A 63 5.636 4.204 -7.755 1.00 0.00 C ATOM 0 HA PRO A 63 7.031 4.318 -4.788 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.179 5.693 -7.108 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.655 4.123 -6.491 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.409 4.509 -8.924 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.385 2.994 -8.042 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.248 5.112 -8.217 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.071 3.369 -8.170 1.00 0.00 H new ATOM 1013 N GLU A 64 5.981 7.078 -6.208 1.00 0.00 N ATOM 1014 CA GLU A 64 5.753 8.499 -5.954 1.00 0.00 C ATOM 1015 C GLU A 64 4.673 8.708 -4.897 1.00 0.00 C ATOM 1016 O GLU A 64 4.760 9.629 -4.083 1.00 0.00 O ATOM 1017 CB GLU A 64 5.354 9.211 -7.248 1.00 0.00 C ATOM 1018 CG GLU A 64 4.272 8.487 -8.033 1.00 0.00 C ATOM 1019 CD GLU A 64 3.618 9.373 -9.076 1.00 0.00 C ATOM 1020 OE1 GLU A 64 4.351 9.977 -9.888 1.00 0.00 O ATOM 1021 OE2 GLU A 64 2.372 9.464 -9.081 1.00 0.00 O ATOM 0 H GLU A 64 5.658 6.756 -7.120 1.00 0.00 H new ATOM 0 HA GLU A 64 6.685 8.923 -5.579 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.006 10.216 -7.008 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.236 9.322 -7.879 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.705 7.615 -8.522 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.511 8.121 -7.344 1.00 0.00 H new ATOM 1028 N VAL A 65 3.653 7.856 -4.915 1.00 0.00 N ATOM 1029 CA VAL A 65 2.555 7.957 -3.959 1.00 0.00 C ATOM 1030 C VAL A 65 3.065 7.939 -2.519 1.00 0.00 C ATOM 1031 O VAL A 65 2.830 8.876 -1.757 1.00 0.00 O ATOM 1032 CB VAL A 65 1.536 6.813 -4.152 1.00 0.00 C ATOM 1033 CG1 VAL A 65 0.406 6.919 -3.140 1.00 0.00 C ATOM 1034 CG2 VAL A 65 0.988 6.825 -5.571 1.00 0.00 C ATOM 0 H VAL A 65 3.564 7.088 -5.581 1.00 0.00 H new ATOM 0 HA VAL A 65 2.061 8.910 -4.147 1.00 0.00 H new ATOM 0 HB VAL A 65 2.049 5.866 -3.987 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.299 6.103 -3.295 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.814 6.859 -2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.108 7.872 -3.267 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.271 6.013 -5.691 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.493 7.777 -5.762 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.807 6.694 -6.278 1.00 0.00 H new ATOM 1044 N LEU A 66 3.756 6.866 -2.154 1.00 0.00 N ATOM 1045 CA LEU A 66 4.291 6.726 -0.803 1.00 0.00 C ATOM 1046 C LEU A 66 5.217 7.889 -0.455 1.00 0.00 C ATOM 1047 O LEU A 66 5.361 8.253 0.712 1.00 0.00 O ATOM 1048 CB LEU A 66 5.039 5.400 -0.660 1.00 0.00 C ATOM 1049 CG LEU A 66 4.375 4.200 -1.342 1.00 0.00 C ATOM 1050 CD1 LEU A 66 4.991 2.895 -0.861 1.00 0.00 C ATOM 1051 CD2 LEU A 66 2.872 4.205 -1.100 1.00 0.00 C ATOM 0 H LEU A 66 3.959 6.081 -2.772 1.00 0.00 H new ATOM 0 HA LEU A 66 3.452 6.737 -0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.042 5.521 -1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.152 5.178 0.401 1.00 0.00 H new ATOM 0 HG LEU A 66 4.548 4.283 -2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.503 2.057 -1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.055 2.887 -1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.856 2.805 0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.421 3.344 -1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.676 4.153 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.441 5.121 -1.504 1.00 0.00 H new ATOM 1063 N LEU A 67 5.848 8.466 -1.473 1.00 0.00 N ATOM 1064 CA LEU A 67 6.763 9.584 -1.273 1.00 0.00 C ATOM 1065 C LEU A 67 6.055 10.759 -0.605 1.00 0.00 C ATOM 1066 O LEU A 67 6.608 11.406 0.285 1.00 0.00 O ATOM 1067 CB LEU A 67 7.358 10.029 -2.611 1.00 0.00 C ATOM 1068 CG LEU A 67 8.735 10.685 -2.520 1.00 0.00 C ATOM 1069 CD1 LEU A 67 8.689 11.902 -1.609 1.00 0.00 C ATOM 1070 CD2 LEU A 67 9.770 9.685 -2.024 1.00 0.00 C ATOM 0 H LEU A 67 5.742 8.177 -2.446 1.00 0.00 H new ATOM 0 HA LEU A 67 7.566 9.248 -0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.428 9.161 -3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.669 10.730 -3.083 1.00 0.00 H new ATOM 0 HG LEU A 67 9.025 11.015 -3.518 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.679 12.355 -1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.978 12.627 -2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.377 11.597 -0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.745 10.169 -1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.484 9.325 -1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.824 8.844 -2.715 1.00 0.00 H new ATOM 1082 N GLN A 68 4.830 11.034 -1.042 1.00 0.00 N ATOM 1083 CA GLN A 68 4.048 12.134 -0.487 1.00 0.00 C ATOM 1084 C GLN A 68 3.562 11.815 0.926 1.00 0.00 C ATOM 1085 O GLN A 68 3.177 12.711 1.675 1.00 0.00 O ATOM 1086 CB GLN A 68 2.854 12.443 -1.392 1.00 0.00 C ATOM 1087 CG GLN A 68 3.241 12.713 -2.837 1.00 0.00 C ATOM 1088 CD GLN A 68 3.954 14.040 -3.011 1.00 0.00 C ATOM 1089 OE1 GLN A 68 4.705 14.473 -2.138 1.00 0.00 O ATOM 1090 NE2 GLN A 68 3.721 14.692 -4.143 1.00 0.00 N ATOM 0 H GLN A 68 4.357 10.510 -1.779 1.00 0.00 H new ATOM 0 HA GLN A 68 4.696 13.009 -0.433 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.159 11.604 -1.361 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.325 13.311 -0.998 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.885 11.909 -3.193 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.345 12.702 -3.457 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.090 14.295 -4.840 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.173 15.590 -4.317 1.00 0.00 H new ATOM 1099 N ILE A 69 3.583 10.535 1.286 1.00 0.00 N ATOM 1100 CA ILE A 69 3.144 10.108 2.611 1.00 0.00 C ATOM 1101 C ILE A 69 4.044 10.685 3.699 1.00 0.00 C ATOM 1102 O ILE A 69 5.269 10.636 3.595 1.00 0.00 O ATOM 1103 CB ILE A 69 3.131 8.569 2.730 1.00 0.00 C ATOM 1104 CG1 ILE A 69 2.325 7.952 1.585 1.00 0.00 C ATOM 1105 CG2 ILE A 69 2.566 8.141 4.076 1.00 0.00 C ATOM 1106 CD1 ILE A 69 0.840 8.232 1.662 1.00 0.00 C ATOM 0 H ILE A 69 3.898 9.777 0.681 1.00 0.00 H new ATOM 0 HA ILE A 69 2.129 10.483 2.746 1.00 0.00 H new ATOM 0 HB ILE A 69 4.157 8.209 2.661 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.708 8.332 0.638 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.482 6.873 1.583 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.565 7.053 4.141 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.182 8.552 4.876 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.546 8.511 4.177 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.337 7.762 0.817 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.441 7.827 2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.671 9.308 1.633 1.00 0.00 H new ATOM 1118 N ASP A 70 3.427 11.234 4.740 1.00 0.00 N ATOM 1119 CA ASP A 70 4.171 11.823 5.847 1.00 0.00 C ATOM 1120 C ASP A 70 5.066 10.783 6.517 1.00 0.00 C ATOM 1121 O ASP A 70 4.603 9.713 6.911 1.00 0.00 O ATOM 1122 CB ASP A 70 3.210 12.423 6.874 1.00 0.00 C ATOM 1123 CG ASP A 70 3.858 13.510 7.708 1.00 0.00 C ATOM 1124 OD1 ASP A 70 5.088 13.446 7.914 1.00 0.00 O ATOM 1125 OD2 ASP A 70 3.134 14.425 8.155 1.00 0.00 O ATOM 0 H ASP A 70 2.413 11.283 4.840 1.00 0.00 H new ATOM 0 HA ASP A 70 4.803 12.615 5.445 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.342 12.834 6.358 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.846 11.633 7.531 1.00 0.00 H new ATOM 1130 N GLY A 71 6.348 11.109 6.643 1.00 0.00 N ATOM 1131 CA GLY A 71 7.288 10.194 7.266 1.00 0.00 C ATOM 1132 C GLY A 71 8.098 9.413 6.250 1.00 0.00 C ATOM 1133 O GLY A 71 9.230 9.013 6.524 1.00 0.00 O ATOM 0 H GLY A 71 6.753 11.990 6.325 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.964 10.756 7.910 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.744 9.498 7.904 1.00 0.00 H new ATOM 1137 N VAL A 72 7.517 9.194 5.075 1.00 0.00 N ATOM 1138 CA VAL A 72 8.193 8.455 4.016 1.00 0.00 C ATOM 1139 C VAL A 72 8.967 9.396 3.098 1.00 0.00 C ATOM 1140 O VAL A 72 8.383 10.250 2.431 1.00 0.00 O ATOM 1141 CB VAL A 72 7.195 7.641 3.171 1.00 0.00 C ATOM 1142 CG1 VAL A 72 7.933 6.749 2.182 1.00 0.00 C ATOM 1143 CG2 VAL A 72 6.283 6.816 4.068 1.00 0.00 C ATOM 0 H VAL A 72 6.581 9.518 4.833 1.00 0.00 H new ATOM 0 HA VAL A 72 8.888 7.771 4.503 1.00 0.00 H new ATOM 0 HB VAL A 72 6.576 8.337 2.604 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.211 6.182 1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.538 7.366 1.517 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.579 6.060 2.726 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.585 6.248 3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.884 6.129 4.664 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.726 7.480 4.730 1.00 0.00 H new ATOM 1153 N THR A 73 10.286 9.233 3.070 1.00 0.00 N ATOM 1154 CA THR A 73 11.141 10.067 2.236 1.00 0.00 C ATOM 1155 C THR A 73 11.655 9.283 1.032 1.00 0.00 C ATOM 1156 O THR A 73 11.310 8.117 0.846 1.00 0.00 O ATOM 1157 CB THR A 73 12.319 10.603 3.051 1.00 0.00 C ATOM 1158 OG1 THR A 73 13.007 9.545 3.693 1.00 0.00 O ATOM 1159 CG2 THR A 73 11.905 11.595 4.116 1.00 0.00 C ATOM 0 H THR A 73 10.785 8.531 3.616 1.00 0.00 H new ATOM 0 HA THR A 73 10.547 10.907 1.875 1.00 0.00 H new ATOM 0 HB THR A 73 12.961 11.112 2.332 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.942 9.802 3.836 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.787 11.936 4.658 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.414 12.448 3.648 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.215 11.116 4.811 1.00 0.00 H new ATOM 1167 N GLU A 74 12.479 9.933 0.218 1.00 0.00 N ATOM 1168 CA GLU A 74 13.040 9.297 -0.967 1.00 0.00 C ATOM 1169 C GLU A 74 13.905 8.099 -0.586 1.00 0.00 C ATOM 1170 O GLU A 74 14.018 7.136 -1.344 1.00 0.00 O ATOM 1171 CB GLU A 74 13.866 10.306 -1.771 1.00 0.00 C ATOM 1172 CG GLU A 74 13.406 10.456 -3.212 1.00 0.00 C ATOM 1173 CD GLU A 74 12.651 11.750 -3.452 1.00 0.00 C ATOM 1174 OE1 GLU A 74 13.153 12.815 -3.038 1.00 0.00 O ATOM 1175 OE2 GLU A 74 11.558 11.695 -4.054 1.00 0.00 O ATOM 0 H GLU A 74 12.773 10.900 0.357 1.00 0.00 H new ATOM 0 HA GLU A 74 12.214 8.942 -1.583 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.817 11.278 -1.279 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.911 9.997 -1.762 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.273 10.418 -3.872 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.767 9.613 -3.475 1.00 0.00 H new ATOM 1182 N ASP A 75 14.516 8.167 0.593 1.00 0.00 N ATOM 1183 CA ASP A 75 15.372 7.088 1.074 1.00 0.00 C ATOM 1184 C ASP A 75 14.542 5.928 1.616 1.00 0.00 C ATOM 1185 O ASP A 75 14.930 4.767 1.495 1.00 0.00 O ATOM 1186 CB ASP A 75 16.316 7.605 2.160 1.00 0.00 C ATOM 1187 CG ASP A 75 15.575 8.282 3.297 1.00 0.00 C ATOM 1188 OD1 ASP A 75 15.077 7.565 4.190 1.00 0.00 O ATOM 1189 OD2 ASP A 75 15.492 9.529 3.292 1.00 0.00 O ATOM 0 H ASP A 75 14.434 8.957 1.232 1.00 0.00 H new ATOM 0 HA ASP A 75 15.960 6.724 0.231 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.901 6.774 2.555 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.021 8.310 1.719 1.00 0.00 H new ATOM 1194 N LYS A 76 13.400 6.250 2.215 1.00 0.00 N ATOM 1195 CA LYS A 76 12.518 5.232 2.776 1.00 0.00 C ATOM 1196 C LYS A 76 11.878 4.398 1.671 1.00 0.00 C ATOM 1197 O LYS A 76 11.602 3.211 1.854 1.00 0.00 O ATOM 1198 CB LYS A 76 11.433 5.883 3.634 1.00 0.00 C ATOM 1199 CG LYS A 76 11.971 6.565 4.881 1.00 0.00 C ATOM 1200 CD LYS A 76 12.033 5.605 6.058 1.00 0.00 C ATOM 1201 CE LYS A 76 11.967 6.346 7.385 1.00 0.00 C ATOM 1202 NZ LYS A 76 10.563 6.546 7.840 1.00 0.00 N ATOM 0 H LYS A 76 13.064 7.207 2.324 1.00 0.00 H new ATOM 0 HA LYS A 76 13.118 4.572 3.403 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.897 6.616 3.032 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.710 5.123 3.929 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.967 6.961 4.680 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.336 7.414 5.135 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.208 4.896 5.994 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.955 5.026 6.009 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.517 5.786 8.141 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.458 7.314 7.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.548 6.684 8.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.163 7.385 7.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.996 5.709 7.594 1.00 0.00 H new ATOM 1216 N LEU A 77 11.645 5.023 0.523 1.00 0.00 N ATOM 1217 CA LEU A 77 11.037 4.341 -0.614 1.00 0.00 C ATOM 1218 C LEU A 77 12.099 3.678 -1.492 1.00 0.00 C ATOM 1219 O LEU A 77 11.787 2.816 -2.312 1.00 0.00 O ATOM 1220 CB LEU A 77 10.215 5.330 -1.444 1.00 0.00 C ATOM 1221 CG LEU A 77 8.968 4.745 -2.113 1.00 0.00 C ATOM 1222 CD1 LEU A 77 9.349 3.651 -3.096 1.00 0.00 C ATOM 1223 CD2 LEU A 77 7.997 4.211 -1.069 1.00 0.00 C ATOM 0 H LEU A 77 11.869 6.004 0.354 1.00 0.00 H new ATOM 0 HA LEU A 77 10.379 3.562 -0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.909 6.153 -0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.857 5.752 -2.217 1.00 0.00 H new ATOM 0 HG LEU A 77 8.472 5.544 -2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.448 3.249 -3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.000 4.064 -3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.872 2.854 -2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.118 3.800 -1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.483 3.429 -0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.693 5.021 -0.406 1.00 0.00 H new ATOM 1235 N GLU A 78 13.353 4.082 -1.319 1.00 0.00 N ATOM 1236 CA GLU A 78 14.445 3.518 -2.101 1.00 0.00 C ATOM 1237 C GLU A 78 15.064 2.317 -1.392 1.00 0.00 C ATOM 1238 O GLU A 78 15.584 1.406 -2.033 1.00 0.00 O ATOM 1239 CB GLU A 78 15.516 4.579 -2.360 1.00 0.00 C ATOM 1240 CG GLU A 78 16.383 4.287 -3.573 1.00 0.00 C ATOM 1241 CD GLU A 78 17.061 5.528 -4.120 1.00 0.00 C ATOM 1242 OE1 GLU A 78 16.382 6.572 -4.233 1.00 0.00 O ATOM 1243 OE2 GLU A 78 18.266 5.458 -4.434 1.00 0.00 O ATOM 0 H GLU A 78 13.637 4.795 -0.647 1.00 0.00 H new ATOM 0 HA GLU A 78 14.037 3.182 -3.054 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.032 5.546 -2.495 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.154 4.662 -1.480 1.00 0.00 H new ATOM 0 HG2 GLU A 78 17.142 3.552 -3.304 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.769 3.839 -4.354 1.00 0.00 H new ATOM 1250 N LYS A 79 15.006 2.326 -0.064 1.00 0.00 N ATOM 1251 CA LYS A 79 15.565 1.241 0.733 1.00 0.00 C ATOM 1252 C LYS A 79 14.493 0.225 1.124 1.00 0.00 C ATOM 1253 O LYS A 79 14.657 -0.977 0.913 1.00 0.00 O ATOM 1254 CB LYS A 79 16.233 1.800 1.991 1.00 0.00 C ATOM 1255 CG LYS A 79 17.333 0.907 2.545 1.00 0.00 C ATOM 1256 CD LYS A 79 18.568 1.711 2.919 1.00 0.00 C ATOM 1257 CE LYS A 79 18.366 2.469 4.222 1.00 0.00 C ATOM 1258 NZ LYS A 79 19.600 2.482 5.056 1.00 0.00 N ATOM 0 H LYS A 79 14.577 3.073 0.482 1.00 0.00 H new ATOM 0 HA LYS A 79 16.310 0.730 0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.652 2.780 1.764 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.475 1.947 2.760 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.964 0.375 3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.599 0.153 1.804 1.00 0.00 H new ATOM 0 HD2 LYS A 79 19.424 1.042 3.015 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.801 2.415 2.120 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.066 3.494 4.003 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.552 2.012 4.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.420 3.008 5.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 19.873 1.505 5.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 20.370 2.941 4.529 1.00 0.00 H new ATOM 1272 N TYR A 80 13.401 0.714 1.705 1.00 0.00 N ATOM 1273 CA TYR A 80 12.311 -0.155 2.138 1.00 0.00 C ATOM 1274 C TYR A 80 11.294 -0.378 1.020 1.00 0.00 C ATOM 1275 O TYR A 80 10.586 -1.384 1.012 1.00 0.00 O ATOM 1276 CB TYR A 80 11.617 0.442 3.363 1.00 0.00 C ATOM 1277 CG TYR A 80 12.551 0.679 4.527 1.00 0.00 C ATOM 1278 CD1 TYR A 80 13.385 -0.332 4.988 1.00 0.00 C ATOM 1279 CD2 TYR A 80 12.601 1.912 5.163 1.00 0.00 C ATOM 1280 CE1 TYR A 80 14.243 -0.120 6.052 1.00 0.00 C ATOM 1281 CE2 TYR A 80 13.455 2.132 6.228 1.00 0.00 C ATOM 1282 CZ TYR A 80 14.274 1.113 6.666 1.00 0.00 C ATOM 1283 OH TYR A 80 15.127 1.329 7.725 1.00 0.00 O ATOM 0 H TYR A 80 13.247 1.706 1.887 1.00 0.00 H new ATOM 0 HA TYR A 80 12.740 -1.122 2.400 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.151 1.387 3.083 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.817 -0.227 3.680 1.00 0.00 H new ATOM 0 HD1 TYR A 80 13.363 -1.299 4.508 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.962 2.713 4.820 1.00 0.00 H new ATOM 0 HE1 TYR A 80 14.885 -0.916 6.399 1.00 0.00 H new ATOM 0 HE2 TYR A 80 13.480 3.096 6.714 1.00 0.00 H new ATOM 0 HH TYR A 80 15.026 2.250 8.043 1.00 0.00 H new ATOM 1293 N GLY A 81 11.222 0.563 0.082 1.00 0.00 N ATOM 1294 CA GLY A 81 10.282 0.444 -1.022 1.00 0.00 C ATOM 1295 C GLY A 81 10.311 -0.925 -1.674 1.00 0.00 C ATOM 1296 O GLY A 81 9.295 -1.396 -2.187 1.00 0.00 O ATOM 0 H GLY A 81 11.797 1.405 0.066 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.275 0.647 -0.659 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.510 1.203 -1.771 1.00 0.00 H new ATOM 1300 N ALA A 82 11.474 -1.565 -1.653 1.00 0.00 N ATOM 1301 CA ALA A 82 11.630 -2.887 -2.246 1.00 0.00 C ATOM 1302 C ALA A 82 10.868 -3.940 -1.446 1.00 0.00 C ATOM 1303 O ALA A 82 10.424 -4.948 -1.995 1.00 0.00 O ATOM 1304 CB ALA A 82 13.103 -3.255 -2.337 1.00 0.00 C ATOM 0 H ALA A 82 12.323 -1.189 -1.231 1.00 0.00 H new ATOM 0 HA ALA A 82 11.212 -2.858 -3.252 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.204 -4.245 -2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.623 -2.524 -2.956 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.539 -3.260 -1.338 1.00 0.00 H new ATOM 1310 N GLU A 83 10.723 -3.700 -0.147 1.00 0.00 N ATOM 1311 CA GLU A 83 10.014 -4.628 0.725 1.00 0.00 C ATOM 1312 C GLU A 83 8.542 -4.250 0.846 1.00 0.00 C ATOM 1313 O GLU A 83 7.660 -5.032 0.491 1.00 0.00 O ATOM 1314 CB GLU A 83 10.663 -4.658 2.110 1.00 0.00 C ATOM 1315 CG GLU A 83 10.779 -6.056 2.696 1.00 0.00 C ATOM 1316 CD GLU A 83 11.916 -6.852 2.085 1.00 0.00 C ATOM 1317 OE1 GLU A 83 12.999 -6.270 1.870 1.00 0.00 O ATOM 1318 OE2 GLU A 83 11.721 -8.057 1.821 1.00 0.00 O ATOM 0 H GLU A 83 11.087 -2.872 0.324 1.00 0.00 H new ATOM 0 HA GLU A 83 10.077 -5.622 0.281 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.657 -4.216 2.046 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.080 -4.035 2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.929 -5.983 3.773 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.842 -6.590 2.540 1.00 0.00 H new ATOM 1325 N VAL A 84 8.279 -3.045 1.350 1.00 0.00 N ATOM 1326 CA VAL A 84 6.907 -2.569 1.514 1.00 0.00 C ATOM 1327 C VAL A 84 6.087 -2.799 0.246 1.00 0.00 C ATOM 1328 O VAL A 84 5.121 -3.561 0.253 1.00 0.00 O ATOM 1329 CB VAL A 84 6.846 -1.068 1.883 1.00 0.00 C ATOM 1330 CG1 VAL A 84 6.874 -0.888 3.394 1.00 0.00 C ATOM 1331 CG2 VAL A 84 7.975 -0.285 1.224 1.00 0.00 C ATOM 0 H VAL A 84 8.995 -2.383 1.651 1.00 0.00 H new ATOM 0 HA VAL A 84 6.484 -3.146 2.336 1.00 0.00 H new ATOM 0 HB VAL A 84 5.905 -0.670 1.504 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.830 0.174 3.635 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.017 -1.396 3.837 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.794 -1.313 3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.901 0.766 1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.935 -0.683 1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.898 -0.377 0.141 1.00 0.00 H new ATOM 1341 N ILE A 85 6.482 -2.140 -0.840 1.00 0.00 N ATOM 1342 CA ILE A 85 5.785 -2.275 -2.114 1.00 0.00 C ATOM 1343 C ILE A 85 5.600 -3.742 -2.491 1.00 0.00 C ATOM 1344 O ILE A 85 4.666 -4.092 -3.209 1.00 0.00 O ATOM 1345 CB ILE A 85 6.536 -1.553 -3.252 1.00 0.00 C ATOM 1346 CG1 ILE A 85 6.793 -0.091 -2.877 1.00 0.00 C ATOM 1347 CG2 ILE A 85 5.746 -1.644 -4.553 1.00 0.00 C ATOM 1348 CD1 ILE A 85 7.409 0.725 -3.995 1.00 0.00 C ATOM 0 H ILE A 85 7.282 -1.507 -0.862 1.00 0.00 H new ATOM 0 HA ILE A 85 4.807 -1.810 -1.985 1.00 0.00 H new ATOM 0 HB ILE A 85 7.498 -2.044 -3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.851 0.370 -2.579 1.00 0.00 H new ATOM 0 HG13 ILE A 85 7.452 -0.058 -2.009 1.00 0.00 H new ATOM 0 HG21 ILE A 85 6.290 -1.130 -5.346 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.612 -2.691 -4.825 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.770 -1.176 -4.420 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.562 1.750 -3.656 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.367 0.290 -4.278 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.741 0.724 -4.857 1.00 0.00 H new ATOM 1360 N SER A 86 6.491 -4.598 -2.001 1.00 0.00 N ATOM 1361 CA SER A 86 6.408 -6.025 -2.287 1.00 0.00 C ATOM 1362 C SER A 86 5.090 -6.591 -1.772 1.00 0.00 C ATOM 1363 O SER A 86 4.514 -7.502 -2.368 1.00 0.00 O ATOM 1364 CB SER A 86 7.584 -6.767 -1.646 1.00 0.00 C ATOM 1365 OG SER A 86 7.895 -7.946 -2.366 1.00 0.00 O ATOM 0 H SER A 86 7.275 -4.330 -1.407 1.00 0.00 H new ATOM 0 HA SER A 86 6.453 -6.164 -3.367 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.457 -6.115 -1.616 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.339 -7.021 -0.615 1.00 0.00 H new ATOM 0 HG SER A 86 8.650 -8.401 -1.938 1.00 0.00 H new ATOM 1371 N VAL A 87 4.616 -6.033 -0.663 1.00 0.00 N ATOM 1372 CA VAL A 87 3.363 -6.467 -0.056 1.00 0.00 C ATOM 1373 C VAL A 87 2.180 -5.666 -0.598 1.00 0.00 C ATOM 1374 O VAL A 87 1.030 -6.091 -0.487 1.00 0.00 O ATOM 1375 CB VAL A 87 3.403 -6.320 1.477 1.00 0.00 C ATOM 1376 CG1 VAL A 87 2.201 -6.999 2.113 1.00 0.00 C ATOM 1377 CG2 VAL A 87 4.702 -6.884 2.036 1.00 0.00 C ATOM 0 H VAL A 87 5.083 -5.276 -0.164 1.00 0.00 H new ATOM 0 HA VAL A 87 3.236 -7.519 -0.313 1.00 0.00 H new ATOM 0 HB VAL A 87 3.361 -5.258 1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.249 -6.883 3.196 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.285 -6.542 1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.206 -8.059 1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.711 -6.771 3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.779 -7.941 1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.547 -6.345 1.608 1.00 0.00 H new ATOM 1387 N LEU A 88 2.466 -4.499 -1.170 1.00 0.00 N ATOM 1388 CA LEU A 88 1.421 -3.636 -1.709 1.00 0.00 C ATOM 1389 C LEU A 88 1.096 -3.970 -3.165 1.00 0.00 C ATOM 1390 O LEU A 88 0.090 -3.508 -3.703 1.00 0.00 O ATOM 1391 CB LEU A 88 1.834 -2.167 -1.597 1.00 0.00 C ATOM 1392 CG LEU A 88 1.811 -1.595 -0.175 1.00 0.00 C ATOM 1393 CD1 LEU A 88 3.203 -1.152 0.250 1.00 0.00 C ATOM 1394 CD2 LEU A 88 0.830 -0.434 -0.076 1.00 0.00 C ATOM 0 H LEU A 88 3.412 -4.131 -1.272 1.00 0.00 H new ATOM 0 HA LEU A 88 0.522 -3.810 -1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.840 -2.056 -2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.171 -1.570 -2.224 1.00 0.00 H new ATOM 0 HG LEU A 88 1.480 -2.383 0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.163 -0.749 1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.880 -2.006 0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.564 -0.383 -0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.830 -0.043 0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.128 0.354 -0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.171 -0.781 -0.332 1.00 0.00 H new ATOM 1406 N GLN A 89 1.946 -4.771 -3.803 1.00 0.00 N ATOM 1407 CA GLN A 89 1.735 -5.149 -5.196 1.00 0.00 C ATOM 1408 C GLN A 89 0.351 -5.760 -5.396 1.00 0.00 C ATOM 1409 O GLN A 89 -0.273 -5.583 -6.443 1.00 0.00 O ATOM 1410 CB GLN A 89 2.814 -6.139 -5.645 1.00 0.00 C ATOM 1411 CG GLN A 89 2.651 -6.610 -7.081 1.00 0.00 C ATOM 1412 CD GLN A 89 2.818 -5.485 -8.085 1.00 0.00 C ATOM 1413 OE1 GLN A 89 1.887 -5.150 -8.818 1.00 0.00 O ATOM 1414 NE2 GLN A 89 4.007 -4.898 -8.123 1.00 0.00 N ATOM 0 H GLN A 89 2.784 -5.169 -3.379 1.00 0.00 H new ATOM 0 HA GLN A 89 1.801 -4.247 -5.804 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.792 -5.672 -5.534 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.798 -7.005 -4.984 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.383 -7.390 -7.289 1.00 0.00 H new ATOM 0 HG3 GLN A 89 1.665 -7.058 -7.203 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.749 -5.209 -7.496 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.179 -4.136 -8.779 1.00 0.00 H new ATOM 1423 N LYS A 90 -0.125 -6.479 -4.384 1.00 0.00 N ATOM 1424 CA LYS A 90 -1.435 -7.117 -4.446 1.00 0.00 C ATOM 1425 C LYS A 90 -2.549 -6.075 -4.468 1.00 0.00 C ATOM 1426 O LYS A 90 -3.606 -6.292 -5.062 1.00 0.00 O ATOM 1427 CB LYS A 90 -1.628 -8.055 -3.253 1.00 0.00 C ATOM 1428 CG LYS A 90 -0.403 -8.898 -2.936 1.00 0.00 C ATOM 1429 CD LYS A 90 -0.792 -10.261 -2.389 1.00 0.00 C ATOM 1430 CE LYS A 90 -1.234 -10.173 -0.937 1.00 0.00 C ATOM 1431 NZ LYS A 90 -0.986 -11.445 -0.202 1.00 0.00 N ATOM 0 H LYS A 90 0.378 -6.634 -3.510 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.483 -7.696 -5.368 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.889 -7.464 -2.375 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.471 -8.716 -3.454 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.197 -9.024 -3.838 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.220 -8.377 -2.209 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.599 -10.679 -2.991 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.054 -10.943 -2.472 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.702 -9.359 -0.444 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.296 -9.931 -0.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.301 -11.343 0.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.514 -12.217 -0.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.031 -11.664 -0.220 1.00 0.00 H new ATOM 1445 N TYR A 91 -2.307 -4.944 -3.813 1.00 0.00 N ATOM 1446 CA TYR A 91 -3.291 -3.869 -3.751 1.00 0.00 C ATOM 1447 C TYR A 91 -3.530 -3.263 -5.129 1.00 0.00 C ATOM 1448 O TYR A 91 -4.670 -3.167 -5.586 1.00 0.00 O ATOM 1449 CB TYR A 91 -2.823 -2.783 -2.781 1.00 0.00 C ATOM 1450 CG TYR A 91 -2.397 -3.314 -1.428 1.00 0.00 C ATOM 1451 CD1 TYR A 91 -2.898 -4.514 -0.933 1.00 0.00 C ATOM 1452 CD2 TYR A 91 -1.486 -2.615 -0.651 1.00 0.00 C ATOM 1453 CE1 TYR A 91 -2.497 -5.000 0.296 1.00 0.00 C ATOM 1454 CE2 TYR A 91 -1.082 -3.095 0.581 1.00 0.00 C ATOM 1455 CZ TYR A 91 -1.591 -4.287 1.049 1.00 0.00 C ATOM 1456 OH TYR A 91 -1.184 -4.771 2.271 1.00 0.00 O ATOM 0 H TYR A 91 -1.437 -4.748 -3.317 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.230 -4.292 -3.395 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -1.988 -2.244 -3.229 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.629 -2.062 -2.641 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.612 -5.074 -1.519 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.085 -1.680 -1.014 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -2.892 -5.935 0.665 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.371 -2.539 1.174 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.543 -4.148 2.672 1.00 0.00 H new ATOM 1466 N SER A 92 -2.451 -2.855 -5.787 1.00 0.00 N ATOM 1467 CA SER A 92 -2.547 -2.256 -7.114 1.00 0.00 C ATOM 1468 C SER A 92 -3.296 -3.176 -8.075 1.00 0.00 C ATOM 1469 O SER A 92 -3.961 -2.713 -9.001 1.00 0.00 O ATOM 1470 CB SER A 92 -1.150 -1.954 -7.664 1.00 0.00 C ATOM 1471 OG SER A 92 -1.188 -1.739 -9.064 1.00 0.00 O ATOM 0 H SER A 92 -1.500 -2.928 -5.424 1.00 0.00 H new ATOM 0 HA SER A 92 -3.104 -1.323 -7.024 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.744 -1.072 -7.169 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.480 -2.784 -7.438 1.00 0.00 H new ATOM 0 HG SER A 92 -0.284 -1.547 -9.390 1.00 0.00 H new ATOM 1477 N GLU A 93 -3.185 -4.481 -7.843 1.00 0.00 N ATOM 1478 CA GLU A 93 -3.854 -5.465 -8.684 1.00 0.00 C ATOM 1479 C GLU A 93 -5.343 -5.540 -8.355 1.00 0.00 C ATOM 1480 O GLU A 93 -6.164 -5.855 -9.216 1.00 0.00 O ATOM 1481 CB GLU A 93 -3.211 -6.841 -8.506 1.00 0.00 C ATOM 1482 CG GLU A 93 -1.741 -6.878 -8.891 1.00 0.00 C ATOM 1483 CD GLU A 93 -1.059 -8.163 -8.464 1.00 0.00 C ATOM 1484 OE1 GLU A 93 -1.302 -9.207 -9.105 1.00 0.00 O ATOM 1485 OE2 GLU A 93 -0.283 -8.128 -7.485 1.00 0.00 O ATOM 0 H GLU A 93 -2.638 -4.880 -7.080 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.745 -5.152 -9.722 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.314 -7.149 -7.466 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.755 -7.568 -9.109 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.649 -6.764 -9.971 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.229 -6.030 -8.436 1.00 0.00 H new ATOM 1492 N TRP A 94 -5.682 -5.248 -7.103 1.00 0.00 N ATOM 1493 CA TRP A 94 -7.072 -5.284 -6.659 1.00 0.00 C ATOM 1494 C TRP A 94 -7.642 -3.874 -6.511 1.00 0.00 C ATOM 1495 O TRP A 94 -8.707 -3.687 -5.921 1.00 0.00 O ATOM 1496 CB TRP A 94 -7.183 -6.032 -5.331 1.00 0.00 C ATOM 1497 CG TRP A 94 -6.970 -7.508 -5.458 1.00 0.00 C ATOM 1498 CD1 TRP A 94 -5.974 -8.135 -6.152 1.00 0.00 C ATOM 1499 CD2 TRP A 94 -7.770 -8.545 -4.879 1.00 0.00 C ATOM 1500 NE1 TRP A 94 -6.107 -9.499 -6.038 1.00 0.00 N ATOM 1501 CE2 TRP A 94 -7.202 -9.775 -5.262 1.00 0.00 C ATOM 1502 CE3 TRP A 94 -8.911 -8.553 -4.073 1.00 0.00 C ATOM 1503 CZ2 TRP A 94 -7.737 -10.998 -4.866 1.00 0.00 C ATOM 1504 CZ3 TRP A 94 -9.442 -9.768 -3.681 1.00 0.00 C ATOM 1505 CH2 TRP A 94 -8.855 -10.976 -4.078 1.00 0.00 C ATOM 0 H TRP A 94 -5.014 -4.984 -6.378 1.00 0.00 H new ATOM 0 HA TRP A 94 -7.653 -5.809 -7.417 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -6.452 -5.626 -4.632 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -8.169 -5.851 -4.902 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -5.196 -7.633 -6.708 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -5.491 -10.192 -6.462 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -9.370 -7.626 -3.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -7.285 -11.931 -5.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -10.324 -9.786 -3.058 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -9.294 -11.909 -3.756 1.00 0.00 H new ATOM 1516 N THR A 95 -6.933 -2.884 -7.048 1.00 0.00 N ATOM 1517 CA THR A 95 -7.379 -1.497 -6.969 1.00 0.00 C ATOM 1518 C THR A 95 -8.501 -1.229 -7.965 1.00 0.00 C ATOM 1519 O THR A 95 -9.380 -0.403 -7.720 1.00 0.00 O ATOM 1520 CB THR A 95 -6.209 -0.548 -7.234 1.00 0.00 C ATOM 1521 OG1 THR A 95 -5.151 -0.790 -6.325 1.00 0.00 O ATOM 1522 CG2 THR A 95 -6.587 0.914 -7.119 1.00 0.00 C ATOM 0 H THR A 95 -6.050 -3.017 -7.541 1.00 0.00 H new ATOM 0 HA THR A 95 -7.761 -1.321 -5.963 1.00 0.00 H new ATOM 0 HB THR A 95 -5.901 -0.748 -8.260 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.274 -1.667 -5.906 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.712 1.533 -7.319 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.368 1.146 -7.843 1.00 0.00 H new ATOM 0 HG23 THR A 95 -6.953 1.117 -6.113 1.00 0.00 H new ATOM 1530 N SER A 96 -8.466 -1.934 -9.093 1.00 0.00 N ATOM 1531 CA SER A 96 -9.482 -1.773 -10.128 1.00 0.00 C ATOM 1532 C SER A 96 -10.323 -3.041 -10.267 1.00 0.00 C ATOM 1533 O SER A 96 -9.808 -4.096 -10.638 1.00 0.00 O ATOM 1534 CB SER A 96 -8.823 -1.437 -11.467 1.00 0.00 C ATOM 1535 OG SER A 96 -8.028 -0.269 -11.366 1.00 0.00 O ATOM 0 H SER A 96 -7.745 -2.622 -9.313 1.00 0.00 H new ATOM 0 HA SER A 96 -10.138 -0.953 -9.836 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.205 -2.274 -11.792 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.590 -1.293 -12.228 1.00 0.00 H new ATOM 0 HG SER A 96 -7.617 -0.077 -12.235 1.00 0.00 H new ATOM 1541 N PRO A 97 -11.634 -2.960 -9.970 1.00 0.00 N ATOM 1542 CA PRO A 97 -12.536 -4.114 -10.068 1.00 0.00 C ATOM 1543 C PRO A 97 -12.762 -4.551 -11.512 1.00 0.00 C ATOM 1544 O PRO A 97 -12.694 -5.739 -11.829 1.00 0.00 O ATOM 1545 CB PRO A 97 -13.841 -3.603 -9.454 1.00 0.00 C ATOM 1546 CG PRO A 97 -13.789 -2.125 -9.631 1.00 0.00 C ATOM 1547 CD PRO A 97 -12.340 -1.746 -9.518 1.00 0.00 C ATOM 0 HA PRO A 97 -12.129 -4.991 -9.565 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -14.709 -4.032 -9.955 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -13.916 -3.873 -8.401 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -14.194 -1.833 -10.600 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -14.385 -1.620 -8.871 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -12.100 -0.885 -10.142 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -12.072 -1.482 -8.495 1.00 0.00 H new ATOM 1555 N ALA A 98 -13.029 -3.583 -12.383 1.00 0.00 N ATOM 1556 CA ALA A 98 -13.263 -3.869 -13.794 1.00 0.00 C ATOM 1557 C ALA A 98 -11.973 -4.284 -14.492 1.00 0.00 C ATOM 1558 O ALA A 98 -11.095 -3.458 -14.738 1.00 0.00 O ATOM 1559 CB ALA A 98 -13.872 -2.657 -14.483 1.00 0.00 C ATOM 0 H ALA A 98 -13.089 -2.595 -12.137 1.00 0.00 H new ATOM 0 HA ALA A 98 -13.964 -4.701 -13.859 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -14.042 -2.884 -15.536 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -14.821 -2.407 -14.008 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -13.191 -1.810 -14.400 1.00 0.00 H new ATOM 1565 N GLU A 99 -11.866 -5.571 -14.809 1.00 0.00 N ATOM 1566 CA GLU A 99 -10.683 -6.097 -15.479 1.00 0.00 C ATOM 1567 C GLU A 99 -10.870 -6.098 -16.993 1.00 0.00 C ATOM 1568 O GLU A 99 -11.462 -7.019 -17.555 1.00 0.00 O ATOM 1569 CB GLU A 99 -10.382 -7.515 -14.990 1.00 0.00 C ATOM 1570 CG GLU A 99 -8.909 -7.883 -15.061 1.00 0.00 C ATOM 1571 CD GLU A 99 -8.610 -9.217 -14.406 1.00 0.00 C ATOM 1572 OE1 GLU A 99 -8.697 -10.253 -15.100 1.00 0.00 O ATOM 1573 OE2 GLU A 99 -8.289 -9.226 -13.198 1.00 0.00 O ATOM 0 H GLU A 99 -12.584 -6.268 -14.612 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.841 -5.450 -15.235 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -10.724 -7.615 -13.960 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -10.955 -8.225 -15.586 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -8.596 -7.917 -16.105 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -8.320 -7.104 -14.577 1.00 0.00 H new ATOM 1580 N ASP A 100 -10.363 -5.058 -17.647 1.00 0.00 N ATOM 1581 CA ASP A 100 -10.475 -4.939 -19.096 1.00 0.00 C ATOM 1582 C ASP A 100 -9.494 -3.903 -19.634 1.00 0.00 C ATOM 1583 O ASP A 100 -8.789 -4.150 -20.613 1.00 0.00 O ATOM 1584 CB ASP A 100 -11.904 -4.557 -19.489 1.00 0.00 C ATOM 1585 CG ASP A 100 -12.388 -3.314 -18.766 1.00 0.00 C ATOM 1586 OD1 ASP A 100 -12.827 -3.438 -17.603 1.00 0.00 O ATOM 1587 OD2 ASP A 100 -12.331 -2.220 -19.363 1.00 0.00 O ATOM 0 H ASP A 100 -9.871 -4.286 -17.197 1.00 0.00 H new ATOM 0 HA ASP A 100 -10.231 -5.907 -19.535 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -11.950 -4.390 -20.565 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -12.574 -5.388 -19.267 1.00 0.00 H new ATOM 1592 N SER A 101 -9.451 -2.742 -18.986 1.00 0.00 N ATOM 1593 CA SER A 101 -8.556 -1.668 -19.399 1.00 0.00 C ATOM 1594 C SER A 101 -7.166 -1.858 -18.801 1.00 0.00 C ATOM 1595 O SER A 101 -6.207 -2.035 -19.579 1.00 0.00 O ATOM 1596 CB SER A 101 -9.124 -0.312 -18.978 1.00 0.00 C ATOM 1597 OG SER A 101 -9.950 0.233 -19.994 1.00 0.00 O ATOM 1598 OXT SER A 101 -7.049 -1.826 -17.557 1.00 0.00 O ATOM 0 H SER A 101 -10.026 -2.522 -18.173 1.00 0.00 H new ATOM 0 HA SER A 101 -8.472 -1.697 -20.485 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.699 -0.425 -18.059 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.307 0.376 -18.761 1.00 0.00 H new ATOM 0 HG SER A 101 -10.302 1.099 -19.700 1.00 0.00 H new TER 1604 SER A 101