USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 657 hydrogens (21 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 69 THR OG1 : rot 180:sc= 1.04 USER MOD Set 1.2: A 72 SER OG : rot 67:sc= 1.22 USER MOD Set 2.1: A 9 ASN : amide:sc= 0.641 K(o=1.4,f=-8.1!) USER MOD Set 2.2: A 21 LYS NZ :NH3+ 178:sc= 0.729 (180deg=-0.0129) USER MOD Single : A 1 MET CE :methyl 172:sc= 0 (180deg=-0.0798) USER MOD Single : A 1 MET N :NH3+ 165:sc= 1.13 (180deg=0.771) USER MOD Single : A 2 GLN : amide:sc= -0.241 X(o=-0.24,f=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.145 X(o=-0.14,f=-0.61) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -120:sc= -0.177 USER MOD Single : A 33 ASN : amide:sc= 0.363 K(o=0.36,f=-3.4!) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.72) USER MOD Single : A 47 THR OG1 : rot 73:sc= 1.08 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 48:sc= 0.0247 USER MOD Single : A 63 SER OG : rot 180:sc= -0.216 USER MOD Single : A 65 GLN : amide:sc=-0.00596 X(o=-0.006,f=0) USER MOD Single : A 66 THR OG1 : rot -139:sc= 0.605 USER MOD Single : A 79 HIS : no HD1:sc= -0.195 X(o=-0.2,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 164:sc= 1.05 (180deg=0.449) USER MOD Single : A 82 SER OG : rot 63:sc= 1.01 USER MOD Single : A 83 HIS : no HE2:sc= 0.232 K(o=0.23,f=-1) USER MOD Single : A 84 PNS O33 : rot 180:sc= 0 USER MOD Single : A 84 PNS S44 : rot -39:sc= -1.98 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.010 -8.320 -5.337 1.00 0.00 N ATOM 2 CA MET A 1 -6.570 -7.998 -5.198 1.00 0.00 C ATOM 3 C MET A 1 -5.787 -9.207 -4.711 1.00 0.00 C ATOM 4 O MET A 1 -6.284 -10.011 -3.924 1.00 0.00 O ATOM 5 CB MET A 1 -6.349 -6.805 -4.234 1.00 0.00 C ATOM 6 CG MET A 1 -6.837 -5.475 -4.794 1.00 0.00 C ATOM 7 SD MET A 1 -8.626 -5.441 -5.092 1.00 0.00 S ATOM 8 CE MET A 1 -9.291 -5.431 -3.421 1.00 0.00 C ATOM 0 H1 MET A 1 -8.556 -7.439 -5.420 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.156 -8.899 -6.188 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.330 -8.848 -4.500 1.00 0.00 H new ATOM 0 HA MET A 1 -6.205 -7.716 -6.185 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.865 -7.006 -3.295 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.287 -6.726 -4.004 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.575 -4.677 -4.099 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.315 -5.268 -5.728 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.368 -5.268 -3.459 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.086 -6.388 -2.942 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.823 -4.631 -2.848 1.00 0.00 H new ATOM 18 N GLN A 2 -4.548 -9.314 -5.185 1.00 0.00 N ATOM 19 CA GLN A 2 -3.631 -10.381 -4.797 1.00 0.00 C ATOM 20 C GLN A 2 -2.756 -9.841 -3.686 1.00 0.00 C ATOM 21 O GLN A 2 -2.732 -10.365 -2.583 1.00 0.00 O ATOM 22 CB GLN A 2 -2.747 -10.812 -6.007 1.00 0.00 C ATOM 23 CG GLN A 2 -3.489 -10.929 -7.345 1.00 0.00 C ATOM 24 CD GLN A 2 -4.623 -11.964 -7.342 1.00 0.00 C ATOM 25 OE1 GLN A 2 -4.404 -13.145 -7.609 1.00 0.00 O ATOM 26 NE2 GLN A 2 -5.848 -11.525 -7.074 1.00 0.00 N ATOM 0 H GLN A 2 -4.149 -8.656 -5.855 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.189 -11.257 -4.465 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.937 -10.092 -6.120 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.289 -11.774 -5.778 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.901 -9.954 -7.607 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.773 -11.192 -8.124 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -6.001 -10.540 -6.856 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -6.636 -12.173 -7.086 1.00 0.00 H new ATOM 35 N HIS A 3 -2.112 -8.711 -3.995 1.00 0.00 N ATOM 36 CA HIS A 3 -1.000 -8.177 -3.215 1.00 0.00 C ATOM 37 C HIS A 3 -1.409 -7.611 -1.840 1.00 0.00 C ATOM 38 O HIS A 3 -0.520 -7.313 -1.047 1.00 0.00 O ATOM 39 CB HIS A 3 -0.254 -7.089 -4.013 1.00 0.00 C ATOM 40 CG HIS A 3 0.370 -7.555 -5.305 1.00 0.00 C ATOM 41 ND1 HIS A 3 1.386 -8.483 -5.356 1.00 0.00 N ATOM 42 CD2 HIS A 3 0.135 -7.193 -6.588 1.00 0.00 C ATOM 43 CE1 HIS A 3 1.745 -8.665 -6.609 1.00 0.00 C ATOM 44 NE2 HIS A 3 1.003 -7.894 -7.380 1.00 0.00 N ATOM 0 H HIS A 3 -2.354 -8.138 -4.803 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.346 -9.028 -3.022 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.952 -6.281 -4.235 1.00 0.00 H new ATOM 0 HB3 HIS A 3 0.528 -6.669 -3.381 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -0.603 -6.481 -6.925 1.00 0.00 H new ATOM 0 HE1 HIS A 3 2.520 -9.336 -6.950 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.066 -7.831 -8.396 1.00 0.00 H new ATOM 53 N LEU A 4 -2.735 -7.463 -1.572 1.00 0.00 N ATOM 54 CA LEU A 4 -3.250 -6.869 -0.306 1.00 0.00 C ATOM 55 C LEU A 4 -2.655 -7.532 0.957 1.00 0.00 C ATOM 56 O LEU A 4 -2.428 -6.846 1.964 1.00 0.00 O ATOM 57 CB LEU A 4 -4.818 -6.908 -0.223 1.00 0.00 C ATOM 58 CG LEU A 4 -5.498 -8.246 0.249 1.00 0.00 C ATOM 59 CD1 LEU A 4 -7.000 -8.048 0.539 1.00 0.00 C ATOM 60 CD2 LEU A 4 -5.278 -9.401 -0.756 1.00 0.00 C ATOM 0 H LEU A 4 -3.470 -7.748 -2.219 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.923 -5.829 -0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.137 -6.115 0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.211 -6.663 -1.210 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.009 -8.530 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.436 -8.993 0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.124 -7.303 1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.503 -7.707 -0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.766 -10.303 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.703 -9.129 -1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.210 -9.587 -0.869 1.00 0.00 H new ATOM 72 N GLU A 5 -2.396 -8.864 0.894 1.00 0.00 N ATOM 73 CA GLU A 5 -1.929 -9.615 2.079 1.00 0.00 C ATOM 74 C GLU A 5 -0.460 -9.256 2.403 1.00 0.00 C ATOM 75 O GLU A 5 -0.071 -9.179 3.571 1.00 0.00 O ATOM 76 CB GLU A 5 -2.121 -11.162 1.936 1.00 0.00 C ATOM 77 CG GLU A 5 -1.022 -11.945 1.175 1.00 0.00 C ATOM 78 CD GLU A 5 -1.026 -11.726 -0.343 1.00 0.00 C ATOM 79 OE1 GLU A 5 -0.384 -10.771 -0.830 1.00 0.00 O ATOM 80 OE2 GLU A 5 -1.673 -12.517 -1.060 1.00 0.00 O ATOM 0 H GLU A 5 -2.501 -9.427 0.050 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.556 -9.311 2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.206 -11.586 2.937 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.072 -11.339 1.433 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.048 -11.656 1.569 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.145 -13.009 1.377 1.00 0.00 H new ATOM 87 N ALA A 6 0.330 -9.009 1.345 1.00 0.00 N ATOM 88 CA ALA A 6 1.743 -8.627 1.457 1.00 0.00 C ATOM 89 C ALA A 6 1.876 -7.156 1.867 1.00 0.00 C ATOM 90 O ALA A 6 2.831 -6.791 2.549 1.00 0.00 O ATOM 91 CB ALA A 6 2.483 -8.904 0.142 1.00 0.00 C ATOM 0 H ALA A 6 0.001 -9.070 0.381 1.00 0.00 H new ATOM 0 HA ALA A 6 2.203 -9.234 2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.529 -8.614 0.245 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.422 -9.967 -0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 6 2.024 -8.328 -0.662 1.00 0.00 H new ATOM 97 N VAL A 7 0.894 -6.328 1.455 1.00 0.00 N ATOM 98 CA VAL A 7 0.828 -4.912 1.839 1.00 0.00 C ATOM 99 C VAL A 7 0.554 -4.801 3.357 1.00 0.00 C ATOM 100 O VAL A 7 1.260 -4.083 4.058 1.00 0.00 O ATOM 101 CB VAL A 7 -0.273 -4.114 1.027 1.00 0.00 C ATOM 102 CG1 VAL A 7 -0.382 -2.652 1.530 1.00 0.00 C ATOM 103 CG2 VAL A 7 -0.004 -4.130 -0.501 1.00 0.00 C ATOM 0 H VAL A 7 0.129 -6.625 0.849 1.00 0.00 H new ATOM 0 HA VAL A 7 1.790 -4.460 1.598 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.221 -4.623 1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.145 -2.126 0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.656 -2.650 2.585 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.578 -2.151 1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.786 -3.570 -1.014 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.964 -3.672 -0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.001 -5.159 -0.859 1.00 0.00 H new ATOM 113 N ARG A 8 -0.452 -5.565 3.854 1.00 0.00 N ATOM 114 CA ARG A 8 -0.847 -5.538 5.286 1.00 0.00 C ATOM 115 C ARG A 8 0.205 -6.240 6.152 1.00 0.00 C ATOM 116 O ARG A 8 0.319 -5.948 7.339 1.00 0.00 O ATOM 117 CB ARG A 8 -2.244 -6.167 5.527 1.00 0.00 C ATOM 118 CG ARG A 8 -2.321 -7.693 5.331 1.00 0.00 C ATOM 119 CD ARG A 8 -3.727 -8.253 5.562 1.00 0.00 C ATOM 120 NE ARG A 8 -3.765 -9.722 5.436 1.00 0.00 N ATOM 121 CZ ARG A 8 -4.624 -10.538 6.062 1.00 0.00 C ATOM 122 NH1 ARG A 8 -5.550 -10.052 6.883 1.00 0.00 N ATOM 123 NH2 ARG A 8 -4.551 -11.845 5.858 1.00 0.00 N ATOM 0 H ARG A 8 -1.004 -6.207 3.285 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.908 -4.489 5.576 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.560 -5.931 6.543 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.958 -5.694 4.853 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.998 -7.941 4.320 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.625 -8.178 6.016 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.073 -7.965 6.555 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.416 -7.810 4.843 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.078 -10.154 4.819 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -5.613 -9.047 7.043 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.198 -10.685 7.353 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.844 -12.224 5.228 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.202 -12.472 6.331 1.00 0.00 H new ATOM 137 N ASN A 9 0.952 -7.184 5.542 1.00 0.00 N ATOM 138 CA ASN A 9 2.113 -7.824 6.176 1.00 0.00 C ATOM 139 C ASN A 9 3.188 -6.762 6.476 1.00 0.00 C ATOM 140 O ASN A 9 3.710 -6.676 7.596 1.00 0.00 O ATOM 141 CB ASN A 9 2.668 -8.924 5.233 1.00 0.00 C ATOM 142 CG ASN A 9 3.901 -9.664 5.753 1.00 0.00 C ATOM 143 OD1 ASN A 9 4.068 -9.876 6.949 1.00 0.00 O ATOM 144 ND2 ASN A 9 4.775 -10.062 4.844 1.00 0.00 N ATOM 0 H ASN A 9 0.764 -7.520 4.598 1.00 0.00 H new ATOM 0 HA ASN A 9 1.817 -8.287 7.117 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.879 -9.652 5.046 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.915 -8.468 4.274 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.617 -10.561 5.130 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.607 -9.870 3.856 1.00 0.00 H new ATOM 151 N ILE A 10 3.463 -5.928 5.454 1.00 0.00 N ATOM 152 CA ILE A 10 4.420 -4.813 5.544 1.00 0.00 C ATOM 153 C ILE A 10 3.973 -3.787 6.601 1.00 0.00 C ATOM 154 O ILE A 10 4.766 -3.389 7.442 1.00 0.00 O ATOM 155 CB ILE A 10 4.626 -4.121 4.138 1.00 0.00 C ATOM 156 CG1 ILE A 10 5.418 -5.077 3.184 1.00 0.00 C ATOM 157 CG2 ILE A 10 5.322 -2.741 4.260 1.00 0.00 C ATOM 158 CD1 ILE A 10 5.556 -4.599 1.754 1.00 0.00 C ATOM 0 H ILE A 10 3.023 -6.012 4.538 1.00 0.00 H new ATOM 0 HA ILE A 10 5.380 -5.224 5.857 1.00 0.00 H new ATOM 0 HB ILE A 10 3.642 -3.932 3.709 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.416 -5.229 3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.924 -6.048 3.178 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.442 -2.305 3.268 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.713 -2.080 4.876 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.301 -2.867 4.721 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.120 -5.333 1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.566 -4.476 1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.081 -3.644 1.739 1.00 0.00 H new ATOM 170 N LEU A 11 2.690 -3.394 6.561 1.00 0.00 N ATOM 171 CA LEU A 11 2.102 -2.447 7.532 1.00 0.00 C ATOM 172 C LEU A 11 2.171 -3.025 8.962 1.00 0.00 C ATOM 173 O LEU A 11 2.467 -2.308 9.923 1.00 0.00 O ATOM 174 CB LEU A 11 0.634 -2.140 7.140 1.00 0.00 C ATOM 175 CG LEU A 11 0.432 -1.490 5.731 1.00 0.00 C ATOM 176 CD1 LEU A 11 -1.037 -1.576 5.285 1.00 0.00 C ATOM 177 CD2 LEU A 11 0.949 -0.031 5.698 1.00 0.00 C ATOM 0 H LEU A 11 2.029 -3.721 5.857 1.00 0.00 H new ATOM 0 HA LEU A 11 2.675 -1.520 7.513 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.065 -3.069 7.177 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.208 -1.475 7.891 1.00 0.00 H new ATOM 0 HG LEU A 11 1.028 -2.060 5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.147 -1.116 4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.341 -2.622 5.232 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.667 -1.051 6.003 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.792 0.388 4.704 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.406 0.564 6.432 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.013 -0.017 5.934 1.00 0.00 H new ATOM 189 N GLY A 12 1.932 -4.344 9.063 1.00 0.00 N ATOM 190 CA GLY A 12 1.994 -5.064 10.326 1.00 0.00 C ATOM 191 C GLY A 12 3.400 -5.247 10.857 1.00 0.00 C ATOM 192 O GLY A 12 3.577 -5.542 12.041 1.00 0.00 O ATOM 0 H GLY A 12 1.691 -4.932 8.265 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.402 -4.528 11.068 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.534 -6.044 10.198 1.00 0.00 H new ATOM 196 N ASP A 13 4.395 -5.119 9.974 1.00 0.00 N ATOM 197 CA ASP A 13 5.817 -5.155 10.346 1.00 0.00 C ATOM 198 C ASP A 13 6.300 -3.769 10.813 1.00 0.00 C ATOM 199 O ASP A 13 6.874 -3.627 11.901 1.00 0.00 O ATOM 200 CB ASP A 13 6.660 -5.630 9.137 1.00 0.00 C ATOM 201 CG ASP A 13 8.170 -5.626 9.427 1.00 0.00 C ATOM 202 OD1 ASP A 13 8.612 -6.379 10.314 1.00 0.00 O ATOM 203 OD2 ASP A 13 8.917 -4.879 8.767 1.00 0.00 O ATOM 0 H ASP A 13 4.238 -4.987 8.975 1.00 0.00 H new ATOM 0 HA ASP A 13 5.941 -5.854 11.173 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.351 -6.637 8.857 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.457 -4.985 8.282 1.00 0.00 H new ATOM 208 N VAL A 14 6.037 -2.759 9.971 1.00 0.00 N ATOM 209 CA VAL A 14 6.572 -1.398 10.131 1.00 0.00 C ATOM 210 C VAL A 14 5.937 -0.699 11.339 1.00 0.00 C ATOM 211 O VAL A 14 6.643 -0.139 12.188 1.00 0.00 O ATOM 212 CB VAL A 14 6.342 -0.556 8.820 1.00 0.00 C ATOM 213 CG1 VAL A 14 6.793 0.913 8.992 1.00 0.00 C ATOM 214 CG2 VAL A 14 7.054 -1.215 7.609 1.00 0.00 C ATOM 0 H VAL A 14 5.440 -2.865 9.151 1.00 0.00 H new ATOM 0 HA VAL A 14 7.645 -1.474 10.309 1.00 0.00 H new ATOM 0 HB VAL A 14 5.270 -0.545 8.625 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.617 1.459 8.065 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.225 1.376 9.799 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.855 0.941 9.234 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.881 -0.616 6.715 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.125 -1.274 7.805 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.657 -2.219 7.456 1.00 0.00 H new ATOM 224 N LEU A 15 4.597 -0.749 11.410 1.00 0.00 N ATOM 225 CA LEU A 15 3.835 -0.127 12.508 1.00 0.00 C ATOM 226 C LEU A 15 3.614 -1.122 13.665 1.00 0.00 C ATOM 227 O LEU A 15 3.072 -0.740 14.706 1.00 0.00 O ATOM 228 CB LEU A 15 2.474 0.437 12.003 1.00 0.00 C ATOM 229 CG LEU A 15 2.517 1.527 10.880 1.00 0.00 C ATOM 230 CD1 LEU A 15 3.658 2.535 11.107 1.00 0.00 C ATOM 231 CD2 LEU A 15 2.572 0.909 9.466 1.00 0.00 C ATOM 0 H LEU A 15 4.015 -1.217 10.715 1.00 0.00 H new ATOM 0 HA LEU A 15 4.427 0.707 12.885 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.878 -0.399 11.638 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.945 0.856 12.859 1.00 0.00 H new ATOM 0 HG LEU A 15 1.580 2.079 10.944 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.654 3.275 10.307 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.516 3.036 12.065 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.613 2.009 11.110 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.600 1.705 8.722 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.466 0.293 9.373 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.688 0.292 9.304 1.00 0.00 H new ATOM 243 N ASN A 16 4.012 -2.403 13.447 1.00 0.00 N ATOM 244 CA ASN A 16 3.996 -3.465 14.479 1.00 0.00 C ATOM 245 C ASN A 16 2.552 -3.783 14.936 1.00 0.00 C ATOM 246 O ASN A 16 2.143 -3.464 16.056 1.00 0.00 O ATOM 247 CB ASN A 16 4.955 -3.118 15.664 1.00 0.00 C ATOM 248 CG ASN A 16 5.085 -4.235 16.714 1.00 0.00 C ATOM 249 OD1 ASN A 16 4.344 -4.276 17.698 1.00 0.00 O ATOM 250 ND2 ASN A 16 6.020 -5.149 16.503 1.00 0.00 N ATOM 0 H ASN A 16 4.355 -2.726 12.542 1.00 0.00 H new ATOM 0 HA ASN A 16 4.382 -4.382 14.034 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.944 -2.894 15.264 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.597 -2.213 16.154 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.143 -5.915 17.165 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.617 -5.087 15.679 1.00 0.00 H new ATOM 257 N LEU A 17 1.752 -4.325 13.998 1.00 0.00 N ATOM 258 CA LEU A 17 0.351 -4.732 14.251 1.00 0.00 C ATOM 259 C LEU A 17 0.291 -6.167 14.823 1.00 0.00 C ATOM 260 O LEU A 17 -0.533 -6.452 15.701 1.00 0.00 O ATOM 261 CB LEU A 17 -0.504 -4.626 12.949 1.00 0.00 C ATOM 262 CG LEU A 17 -0.996 -3.196 12.523 1.00 0.00 C ATOM 263 CD1 LEU A 17 0.158 -2.198 12.368 1.00 0.00 C ATOM 264 CD2 LEU A 17 -1.826 -3.264 11.219 1.00 0.00 C ATOM 0 H LEU A 17 2.057 -4.495 13.040 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.068 -4.050 14.991 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.080 -5.040 12.127 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.381 -5.262 13.069 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.631 -2.832 13.330 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.238 -1.227 12.073 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.685 -2.101 13.317 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.848 -2.556 11.604 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.155 -2.262 10.945 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.212 -3.676 10.418 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.696 -3.902 11.374 1.00 0.00 H new ATOM 276 N GLY A 18 1.160 -7.060 14.304 1.00 0.00 N ATOM 277 CA GLY A 18 1.206 -8.460 14.736 1.00 0.00 C ATOM 278 C GLY A 18 0.014 -9.271 14.231 1.00 0.00 C ATOM 279 O GLY A 18 0.054 -9.833 13.134 1.00 0.00 O ATOM 0 H GLY A 18 1.841 -6.827 13.581 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.129 -8.916 14.378 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.232 -8.500 15.825 1.00 0.00 H new ATOM 283 N GLU A 19 -1.059 -9.302 15.037 1.00 0.00 N ATOM 284 CA GLU A 19 -2.323 -10.006 14.706 1.00 0.00 C ATOM 285 C GLU A 19 -3.366 -9.014 14.175 1.00 0.00 C ATOM 286 O GLU A 19 -4.335 -9.413 13.511 1.00 0.00 O ATOM 287 CB GLU A 19 -2.899 -10.782 15.935 1.00 0.00 C ATOM 288 CG GLU A 19 -3.411 -9.922 17.112 1.00 0.00 C ATOM 289 CD GLU A 19 -2.295 -9.209 17.892 1.00 0.00 C ATOM 290 OE1 GLU A 19 -1.638 -9.857 18.732 1.00 0.00 O ATOM 291 OE2 GLU A 19 -2.054 -8.011 17.653 1.00 0.00 O ATOM 0 H GLU A 19 -1.081 -8.838 15.945 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.093 -10.737 13.930 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.720 -11.410 15.588 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.124 -11.449 16.311 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.107 -9.176 16.729 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.971 -10.558 17.797 1.00 0.00 H new ATOM 298 N ARG A 20 -3.154 -7.719 14.481 1.00 0.00 N ATOM 299 CA ARG A 20 -4.051 -6.628 14.062 1.00 0.00 C ATOM 300 C ARG A 20 -4.038 -6.501 12.510 1.00 0.00 C ATOM 301 O ARG A 20 -5.061 -6.172 11.906 1.00 0.00 O ATOM 302 CB ARG A 20 -3.641 -5.304 14.793 1.00 0.00 C ATOM 303 CG ARG A 20 -4.747 -4.221 14.940 1.00 0.00 C ATOM 304 CD ARG A 20 -5.086 -3.476 13.639 1.00 0.00 C ATOM 305 NE ARG A 20 -6.209 -2.549 13.832 1.00 0.00 N ATOM 306 CZ ARG A 20 -7.398 -2.623 13.218 1.00 0.00 C ATOM 307 NH1 ARG A 20 -7.644 -3.547 12.290 1.00 0.00 N ATOM 308 NH2 ARG A 20 -8.334 -1.748 13.535 1.00 0.00 N ATOM 0 H ARG A 20 -2.353 -7.401 15.027 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.080 -6.846 14.350 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.281 -5.562 15.789 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.802 -4.863 14.255 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.653 -4.694 15.320 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.429 -3.494 15.688 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.211 -2.924 13.295 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.336 -4.196 12.860 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.072 -1.782 14.491 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.920 -4.218 12.033 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.557 -3.584 11.836 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.146 -1.032 14.236 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.245 -1.788 13.079 1.00 0.00 H new ATOM 322 N LYS A 21 -2.884 -6.813 11.883 1.00 0.00 N ATOM 323 CA LYS A 21 -2.758 -6.853 10.408 1.00 0.00 C ATOM 324 C LYS A 21 -3.559 -8.036 9.822 1.00 0.00 C ATOM 325 O LYS A 21 -4.113 -7.945 8.728 1.00 0.00 O ATOM 326 CB LYS A 21 -1.274 -6.950 9.965 1.00 0.00 C ATOM 327 CG LYS A 21 -0.592 -8.271 10.345 1.00 0.00 C ATOM 328 CD LYS A 21 0.775 -8.496 9.671 1.00 0.00 C ATOM 329 CE LYS A 21 1.145 -9.977 9.661 1.00 0.00 C ATOM 330 NZ LYS A 21 2.545 -10.218 9.235 1.00 0.00 N ATOM 0 H LYS A 21 -2.022 -7.042 12.377 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.168 -5.920 10.023 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.220 -6.823 8.884 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.718 -6.125 10.411 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.460 -8.300 11.427 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.254 -9.097 10.082 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.747 -8.118 8.649 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.542 -7.930 10.199 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.998 -10.390 10.659 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.470 -10.511 8.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.751 -11.236 9.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.674 -9.881 8.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.193 -9.706 9.867 1.00 0.00 H new ATOM 344 N HIS A 22 -3.628 -9.137 10.589 1.00 0.00 N ATOM 345 CA HIS A 22 -4.237 -10.396 10.136 1.00 0.00 C ATOM 346 C HIS A 22 -5.776 -10.327 10.245 1.00 0.00 C ATOM 347 O HIS A 22 -6.491 -10.954 9.456 1.00 0.00 O ATOM 348 CB HIS A 22 -3.673 -11.577 10.966 1.00 0.00 C ATOM 349 CG HIS A 22 -4.152 -12.932 10.516 1.00 0.00 C ATOM 350 ND1 HIS A 22 -5.122 -13.647 11.182 1.00 0.00 N ATOM 351 CD2 HIS A 22 -3.787 -13.695 9.457 1.00 0.00 C ATOM 352 CE1 HIS A 22 -5.330 -14.786 10.556 1.00 0.00 C ATOM 353 NE2 HIS A 22 -4.535 -14.840 9.507 1.00 0.00 N ATOM 0 H HIS A 22 -3.263 -9.178 11.540 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.987 -10.555 9.087 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.584 -11.554 10.917 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.948 -11.436 12.011 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -3.045 -13.446 8.713 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.035 -15.549 10.853 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -4.485 -15.610 8.840 1.00 0.00 H new ATOM 362 N THR A 23 -6.265 -9.538 11.219 1.00 0.00 N ATOM 363 CA THR A 23 -7.711 -9.410 11.500 1.00 0.00 C ATOM 364 C THR A 23 -8.399 -8.416 10.541 1.00 0.00 C ATOM 365 O THR A 23 -9.628 -8.425 10.418 1.00 0.00 O ATOM 366 CB THR A 23 -7.974 -9.005 12.996 1.00 0.00 C ATOM 367 OG1 THR A 23 -9.360 -9.182 13.328 1.00 0.00 O ATOM 368 CG2 THR A 23 -7.576 -7.553 13.309 1.00 0.00 C ATOM 0 H THR A 23 -5.675 -8.974 11.831 1.00 0.00 H new ATOM 0 HA THR A 23 -8.151 -10.393 11.331 1.00 0.00 H new ATOM 0 HB THR A 23 -7.346 -9.661 13.598 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.508 -8.927 14.263 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.783 -7.337 14.357 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.512 -7.417 13.113 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.150 -6.874 12.679 1.00 0.00 H new ATOM 376 N LEU A 24 -7.605 -7.570 9.842 1.00 0.00 N ATOM 377 CA LEU A 24 -8.153 -6.524 8.951 1.00 0.00 C ATOM 378 C LEU A 24 -8.208 -7.019 7.492 1.00 0.00 C ATOM 379 O LEU A 24 -7.447 -7.916 7.098 1.00 0.00 O ATOM 380 CB LEU A 24 -7.380 -5.173 9.117 1.00 0.00 C ATOM 381 CG LEU A 24 -5.834 -5.116 8.844 1.00 0.00 C ATOM 382 CD1 LEU A 24 -5.479 -5.192 7.343 1.00 0.00 C ATOM 383 CD2 LEU A 24 -5.208 -3.849 9.479 1.00 0.00 C ATOM 0 H LEU A 24 -6.586 -7.593 9.879 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.182 -6.319 9.247 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.853 -4.445 8.458 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.542 -4.830 10.139 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.410 -6.003 9.314 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.397 -5.148 7.222 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.852 -6.128 6.928 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.937 -4.354 6.818 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.137 -3.832 9.277 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.672 -2.960 9.052 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.373 -3.862 10.556 1.00 0.00 H new ATOM 395 N THR A 25 -9.107 -6.410 6.701 1.00 0.00 N ATOM 396 CA THR A 25 -9.383 -6.799 5.301 1.00 0.00 C ATOM 397 C THR A 25 -9.040 -5.646 4.324 1.00 0.00 C ATOM 398 O THR A 25 -8.458 -4.640 4.735 1.00 0.00 O ATOM 399 CB THR A 25 -10.890 -7.202 5.155 1.00 0.00 C ATOM 400 OG1 THR A 25 -11.722 -6.130 5.640 1.00 0.00 O ATOM 401 CG2 THR A 25 -11.225 -8.510 5.908 1.00 0.00 C ATOM 0 H THR A 25 -9.672 -5.622 7.017 1.00 0.00 H new ATOM 0 HA THR A 25 -8.753 -7.652 5.047 1.00 0.00 H new ATOM 0 HB THR A 25 -11.084 -7.381 4.097 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.665 -6.380 5.548 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.281 -8.746 5.776 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.619 -9.324 5.511 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.012 -8.384 6.969 1.00 0.00 H new ATOM 409 N ALA A 26 -9.393 -5.807 3.025 1.00 0.00 N ATOM 410 CA ALA A 26 -9.183 -4.766 1.987 1.00 0.00 C ATOM 411 C ALA A 26 -9.968 -3.474 2.304 1.00 0.00 C ATOM 412 O ALA A 26 -9.499 -2.364 2.033 1.00 0.00 O ATOM 413 CB ALA A 26 -9.578 -5.306 0.599 1.00 0.00 C ATOM 0 H ALA A 26 -9.829 -6.657 2.668 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.122 -4.514 1.983 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.419 -4.532 -0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.966 -6.175 0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.629 -5.593 0.606 1.00 0.00 H new ATOM 419 N SER A 27 -11.156 -3.639 2.912 1.00 0.00 N ATOM 420 CA SER A 27 -12.038 -2.521 3.294 1.00 0.00 C ATOM 421 C SER A 27 -11.593 -1.848 4.613 1.00 0.00 C ATOM 422 O SER A 27 -12.276 -0.947 5.105 1.00 0.00 O ATOM 423 CB SER A 27 -13.497 -3.021 3.410 1.00 0.00 C ATOM 424 OG SER A 27 -13.945 -3.570 2.183 1.00 0.00 O ATOM 0 H SER A 27 -11.533 -4.555 3.153 1.00 0.00 H new ATOM 0 HA SER A 27 -11.971 -1.765 2.512 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.566 -3.773 4.196 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.146 -2.195 3.702 1.00 0.00 H new ATOM 0 HG SER A 27 -14.869 -3.881 2.282 1.00 0.00 H new ATOM 430 N SER A 28 -10.456 -2.290 5.187 1.00 0.00 N ATOM 431 CA SER A 28 -9.903 -1.697 6.415 1.00 0.00 C ATOM 432 C SER A 28 -9.245 -0.353 6.108 1.00 0.00 C ATOM 433 O SER A 28 -8.512 -0.233 5.123 1.00 0.00 O ATOM 434 CB SER A 28 -8.869 -2.632 7.065 1.00 0.00 C ATOM 435 OG SER A 28 -8.423 -2.131 8.319 1.00 0.00 O ATOM 0 H SER A 28 -9.902 -3.061 4.814 1.00 0.00 H new ATOM 0 HA SER A 28 -10.729 -1.548 7.111 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.308 -3.620 7.203 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.016 -2.752 6.397 1.00 0.00 H new ATOM 0 HG SER A 28 -7.454 -1.988 8.288 1.00 0.00 H new ATOM 441 N VAL A 29 -9.501 0.634 6.973 1.00 0.00 N ATOM 442 CA VAL A 29 -8.881 1.962 6.904 1.00 0.00 C ATOM 443 C VAL A 29 -7.462 1.865 7.494 1.00 0.00 C ATOM 444 O VAL A 29 -7.218 1.041 8.375 1.00 0.00 O ATOM 445 CB VAL A 29 -9.750 3.019 7.691 1.00 0.00 C ATOM 446 CG1 VAL A 29 -9.137 4.441 7.630 1.00 0.00 C ATOM 447 CG2 VAL A 29 -11.214 3.013 7.172 1.00 0.00 C ATOM 0 H VAL A 29 -10.153 0.532 7.751 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.823 2.295 5.868 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.754 2.725 8.741 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.769 5.134 8.185 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.140 4.427 8.071 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.070 4.764 6.591 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.799 3.747 7.725 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -11.225 3.265 6.112 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -11.646 2.023 7.314 1.00 0.00 H new ATOM 457 N LEU A 30 -6.518 2.662 6.981 1.00 0.00 N ATOM 458 CA LEU A 30 -5.137 2.681 7.503 1.00 0.00 C ATOM 459 C LEU A 30 -4.875 3.981 8.271 1.00 0.00 C ATOM 460 O LEU A 30 -4.683 3.948 9.490 1.00 0.00 O ATOM 461 CB LEU A 30 -4.126 2.484 6.357 1.00 0.00 C ATOM 462 CG LEU A 30 -4.302 1.185 5.517 1.00 0.00 C ATOM 463 CD1 LEU A 30 -3.222 1.103 4.426 1.00 0.00 C ATOM 464 CD2 LEU A 30 -4.313 -0.091 6.404 1.00 0.00 C ATOM 0 H LEU A 30 -6.680 3.304 6.205 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.010 1.853 8.201 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.194 3.340 5.686 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.121 2.488 6.779 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.278 1.233 5.034 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.358 0.190 3.847 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.305 1.967 3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.236 1.095 4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.438 -0.971 5.774 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.371 -0.165 6.947 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.138 -0.033 7.114 1.00 0.00 H new ATOM 476 N LEU A 31 -4.847 5.122 7.549 1.00 0.00 N ATOM 477 CA LEU A 31 -4.682 6.452 8.163 1.00 0.00 C ATOM 478 C LEU A 31 -5.773 6.715 9.213 1.00 0.00 C ATOM 479 O LEU A 31 -6.967 6.719 8.895 1.00 0.00 O ATOM 480 CB LEU A 31 -4.694 7.569 7.087 1.00 0.00 C ATOM 481 CG LEU A 31 -3.443 7.649 6.157 1.00 0.00 C ATOM 482 CD1 LEU A 31 -3.598 8.775 5.124 1.00 0.00 C ATOM 483 CD2 LEU A 31 -2.137 7.827 6.965 1.00 0.00 C ATOM 0 H LEU A 31 -4.937 5.145 6.533 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.713 6.465 8.662 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.576 7.432 6.462 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.807 8.529 7.592 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.374 6.700 5.626 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.713 8.810 4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.479 8.587 4.510 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.712 9.729 5.640 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.290 7.878 6.281 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.191 8.748 7.545 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.008 6.980 7.639 1.00 0.00 H new ATOM 495 N GLY A 32 -5.335 6.864 10.469 1.00 0.00 N ATOM 496 CA GLY A 32 -6.221 7.204 11.581 1.00 0.00 C ATOM 497 C GLY A 32 -6.822 5.991 12.282 1.00 0.00 C ATOM 498 O GLY A 32 -7.250 6.102 13.431 1.00 0.00 O ATOM 0 H GLY A 32 -4.358 6.752 10.739 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.665 7.794 12.309 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.029 7.835 11.210 1.00 0.00 H new ATOM 502 N ASN A 33 -6.901 4.842 11.578 1.00 0.00 N ATOM 503 CA ASN A 33 -7.272 3.555 12.202 1.00 0.00 C ATOM 504 C ASN A 33 -6.057 3.020 12.964 1.00 0.00 C ATOM 505 O ASN A 33 -6.123 2.771 14.171 1.00 0.00 O ATOM 506 CB ASN A 33 -7.744 2.517 11.141 1.00 0.00 C ATOM 507 CG ASN A 33 -8.121 1.145 11.738 1.00 0.00 C ATOM 508 OD1 ASN A 33 -8.599 1.055 12.864 1.00 0.00 O ATOM 509 ND2 ASN A 33 -7.900 0.065 10.998 1.00 0.00 N ATOM 0 H ASN A 33 -6.713 4.780 10.577 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.107 3.718 12.884 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -8.606 2.921 10.609 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.952 2.378 10.405 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.128 -0.859 11.364 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.502 0.160 10.064 1.00 0.00 H new ATOM 516 N ILE A 34 -4.937 2.878 12.235 1.00 0.00 N ATOM 517 CA ILE A 34 -3.661 2.449 12.804 1.00 0.00 C ATOM 518 C ILE A 34 -3.052 3.647 13.556 1.00 0.00 C ATOM 519 O ILE A 34 -2.745 4.670 12.924 1.00 0.00 O ATOM 520 CB ILE A 34 -2.653 1.933 11.702 1.00 0.00 C ATOM 521 CG1 ILE A 34 -3.348 0.921 10.722 1.00 0.00 C ATOM 522 CG2 ILE A 34 -1.388 1.309 12.348 1.00 0.00 C ATOM 523 CD1 ILE A 34 -4.010 -0.287 11.386 1.00 0.00 C ATOM 0 H ILE A 34 -4.898 3.060 11.232 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.841 1.611 13.477 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.336 2.795 11.115 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.103 1.458 10.148 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.604 0.561 10.011 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.713 0.963 11.565 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.883 2.059 12.957 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.678 0.466 12.976 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.459 -0.921 10.622 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.260 -0.856 11.935 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.783 0.054 12.075 1.00 0.00 H new ATOM 535 N PRO A 35 -2.843 3.537 14.905 1.00 0.00 N ATOM 536 CA PRO A 35 -2.405 4.681 15.740 1.00 0.00 C ATOM 537 C PRO A 35 -0.907 4.995 15.571 1.00 0.00 C ATOM 538 O PRO A 35 -0.406 5.970 16.129 1.00 0.00 O ATOM 539 CB PRO A 35 -2.729 4.187 17.171 1.00 0.00 C ATOM 540 CG PRO A 35 -2.506 2.706 17.101 1.00 0.00 C ATOM 541 CD PRO A 35 -2.979 2.290 15.718 1.00 0.00 C ATOM 0 HA PRO A 35 -2.899 5.616 15.475 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.080 4.654 17.911 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.755 4.424 17.452 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.454 2.460 17.247 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -3.065 2.187 17.880 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.371 1.481 15.314 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.010 1.935 15.737 1.00 0.00 H new ATOM 549 N GLU A 36 -0.205 4.157 14.787 1.00 0.00 N ATOM 550 CA GLU A 36 1.251 4.237 14.595 1.00 0.00 C ATOM 551 C GLU A 36 1.597 4.801 13.210 1.00 0.00 C ATOM 552 O GLU A 36 2.736 5.222 12.974 1.00 0.00 O ATOM 553 CB GLU A 36 1.870 2.826 14.785 1.00 0.00 C ATOM 554 CG GLU A 36 1.530 2.151 16.131 1.00 0.00 C ATOM 555 CD GLU A 36 1.944 2.988 17.352 1.00 0.00 C ATOM 556 OE1 GLU A 36 3.155 3.232 17.531 1.00 0.00 O ATOM 557 OE2 GLU A 36 1.065 3.411 18.136 1.00 0.00 O ATOM 0 H GLU A 36 -0.640 3.397 14.264 1.00 0.00 H new ATOM 0 HA GLU A 36 1.669 4.918 15.337 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.529 2.182 13.974 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.954 2.904 14.696 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.457 1.963 16.175 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.026 1.181 16.179 1.00 0.00 H new ATOM 564 N LEU A 37 0.604 4.814 12.302 1.00 0.00 N ATOM 565 CA LEU A 37 0.815 5.237 10.912 1.00 0.00 C ATOM 566 C LEU A 37 0.812 6.775 10.820 1.00 0.00 C ATOM 567 O LEU A 37 -0.241 7.408 10.653 1.00 0.00 O ATOM 568 CB LEU A 37 -0.248 4.602 9.983 1.00 0.00 C ATOM 569 CG LEU A 37 -0.082 4.894 8.455 1.00 0.00 C ATOM 570 CD1 LEU A 37 1.255 4.340 7.893 1.00 0.00 C ATOM 571 CD2 LEU A 37 -1.296 4.358 7.672 1.00 0.00 C ATOM 0 H LEU A 37 -0.355 4.535 12.511 1.00 0.00 H new ATOM 0 HA LEU A 37 1.790 4.886 10.576 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.233 3.522 10.131 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.232 4.953 10.295 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.042 5.976 8.326 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.324 4.567 6.829 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.090 4.803 8.418 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.290 3.260 8.036 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.166 4.569 6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.379 3.281 7.821 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.203 4.844 8.030 1.00 0.00 H new ATOM 583 N ASP A 38 2.003 7.364 11.014 1.00 0.00 N ATOM 584 CA ASP A 38 2.243 8.811 10.850 1.00 0.00 C ATOM 585 C ASP A 38 2.890 9.118 9.483 1.00 0.00 C ATOM 586 O ASP A 38 2.971 8.251 8.611 1.00 0.00 O ATOM 587 CB ASP A 38 3.122 9.338 12.025 1.00 0.00 C ATOM 588 CG ASP A 38 4.534 8.723 12.074 1.00 0.00 C ATOM 589 OD1 ASP A 38 4.721 7.673 12.725 1.00 0.00 O ATOM 590 OD2 ASP A 38 5.463 9.286 11.459 1.00 0.00 O ATOM 0 H ASP A 38 2.836 6.846 11.292 1.00 0.00 H new ATOM 0 HA ASP A 38 1.284 9.329 10.875 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.211 10.421 11.942 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.614 9.132 12.967 1.00 0.00 H new ATOM 595 N SER A 39 3.317 10.376 9.317 1.00 0.00 N ATOM 596 CA SER A 39 3.909 10.896 8.077 1.00 0.00 C ATOM 597 C SER A 39 5.281 10.228 7.757 1.00 0.00 C ATOM 598 O SER A 39 5.491 9.683 6.665 1.00 0.00 O ATOM 599 CB SER A 39 4.035 12.421 8.227 1.00 0.00 C ATOM 600 OG SER A 39 4.871 12.747 9.383 1.00 0.00 O ATOM 0 H SER A 39 3.260 11.076 10.057 1.00 0.00 H new ATOM 0 HA SER A 39 3.266 10.655 7.230 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.469 12.848 7.323 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.047 12.865 8.347 1.00 0.00 H new ATOM 605 N MET A 40 6.208 10.248 8.725 1.00 0.00 N ATOM 606 CA MET A 40 7.509 9.543 8.595 1.00 0.00 C ATOM 607 C MET A 40 7.286 8.019 8.385 1.00 0.00 C ATOM 608 O MET A 40 8.068 7.332 7.707 1.00 0.00 O ATOM 609 CB MET A 40 8.382 9.788 9.842 1.00 0.00 C ATOM 610 CG MET A 40 8.805 11.246 10.069 1.00 0.00 C ATOM 611 SD MET A 40 9.960 11.849 8.820 1.00 0.00 S ATOM 612 CE MET A 40 10.345 13.486 9.442 1.00 0.00 C ATOM 0 H MET A 40 6.089 10.742 9.609 1.00 0.00 H new ATOM 0 HA MET A 40 8.028 9.940 7.723 1.00 0.00 H new ATOM 0 HB2 MET A 40 7.836 9.444 10.721 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.279 9.174 9.764 1.00 0.00 H new ATOM 0 HG2 MET A 40 7.918 11.879 10.071 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.264 11.336 11.054 1.00 0.00 H new ATOM 0 HE1 MET A 40 11.049 13.975 8.769 1.00 0.00 H new ATOM 0 HE2 MET A 40 9.431 14.077 9.502 1.00 0.00 H new ATOM 0 HE3 MET A 40 10.790 13.403 10.434 1.00 0.00 H new ATOM 622 N ALA A 41 6.183 7.517 8.963 1.00 0.00 N ATOM 623 CA ALA A 41 5.741 6.130 8.790 1.00 0.00 C ATOM 624 C ALA A 41 5.240 5.840 7.358 1.00 0.00 C ATOM 625 O ALA A 41 5.303 4.683 6.937 1.00 0.00 O ATOM 626 CB ALA A 41 4.670 5.772 9.815 1.00 0.00 C ATOM 0 H ALA A 41 5.572 8.068 9.566 1.00 0.00 H new ATOM 0 HA ALA A 41 6.614 5.499 8.955 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.357 4.738 9.668 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.075 5.889 10.820 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.812 6.432 9.690 1.00 0.00 H new ATOM 632 N VAL A 42 4.726 6.872 6.613 1.00 0.00 N ATOM 633 CA VAL A 42 4.387 6.688 5.176 1.00 0.00 C ATOM 634 C VAL A 42 5.684 6.428 4.396 1.00 0.00 C ATOM 635 O VAL A 42 5.713 5.577 3.514 1.00 0.00 O ATOM 636 CB VAL A 42 3.557 7.867 4.484 1.00 0.00 C ATOM 637 CG1 VAL A 42 2.453 8.410 5.411 1.00 0.00 C ATOM 638 CG2 VAL A 42 4.445 9.024 3.914 1.00 0.00 C ATOM 0 H VAL A 42 4.545 7.808 6.977 1.00 0.00 H new ATOM 0 HA VAL A 42 3.706 5.837 5.145 1.00 0.00 H new ATOM 0 HB VAL A 42 3.080 7.409 3.618 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.913 9.209 4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.761 7.606 5.662 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.903 8.799 6.324 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.807 9.783 3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.023 9.471 4.723 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.124 8.624 3.160 1.00 0.00 H new ATOM 648 N VAL A 43 6.774 7.134 4.781 1.00 0.00 N ATOM 649 CA VAL A 43 8.097 6.958 4.119 1.00 0.00 C ATOM 650 C VAL A 43 8.599 5.523 4.321 1.00 0.00 C ATOM 651 O VAL A 43 9.048 4.865 3.382 1.00 0.00 O ATOM 652 CB VAL A 43 9.183 7.941 4.677 1.00 0.00 C ATOM 653 CG1 VAL A 43 10.442 7.987 3.778 1.00 0.00 C ATOM 654 CG2 VAL A 43 8.591 9.331 4.896 1.00 0.00 C ATOM 0 H VAL A 43 6.769 7.822 5.534 1.00 0.00 H new ATOM 0 HA VAL A 43 7.947 7.174 3.061 1.00 0.00 H new ATOM 0 HB VAL A 43 9.509 7.559 5.645 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.167 8.681 4.203 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.883 6.992 3.718 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.163 8.321 2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.361 9.998 5.284 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.217 9.720 3.949 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.771 9.269 5.612 1.00 0.00 H new ATOM 664 N ASN A 44 8.501 5.081 5.583 1.00 0.00 N ATOM 665 CA ASN A 44 8.912 3.739 6.023 1.00 0.00 C ATOM 666 C ASN A 44 8.204 2.611 5.243 1.00 0.00 C ATOM 667 O ASN A 44 8.872 1.711 4.707 1.00 0.00 O ATOM 668 CB ASN A 44 8.649 3.608 7.547 1.00 0.00 C ATOM 669 CG ASN A 44 9.701 4.314 8.404 1.00 0.00 C ATOM 670 OD1 ASN A 44 10.882 4.333 8.063 1.00 0.00 O ATOM 671 ND2 ASN A 44 9.291 4.907 9.514 1.00 0.00 N ATOM 0 H ASN A 44 8.128 5.655 6.339 1.00 0.00 H new ATOM 0 HA ASN A 44 9.976 3.625 5.815 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.667 4.021 7.776 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.621 2.552 7.815 1.00 0.00 H new ATOM 0 HD21 ASN A 44 9.961 5.395 10.109 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.305 4.876 9.774 1.00 0.00 H new ATOM 678 N VAL A 45 6.866 2.670 5.167 1.00 0.00 N ATOM 679 CA VAL A 45 6.073 1.617 4.511 1.00 0.00 C ATOM 680 C VAL A 45 6.311 1.600 2.988 1.00 0.00 C ATOM 681 O VAL A 45 6.363 0.522 2.401 1.00 0.00 O ATOM 682 CB VAL A 45 4.538 1.724 4.830 1.00 0.00 C ATOM 683 CG1 VAL A 45 4.274 1.522 6.335 1.00 0.00 C ATOM 684 CG2 VAL A 45 3.947 3.060 4.348 1.00 0.00 C ATOM 0 H VAL A 45 6.310 3.434 5.551 1.00 0.00 H new ATOM 0 HA VAL A 45 6.421 0.671 4.927 1.00 0.00 H new ATOM 0 HB VAL A 45 4.036 0.927 4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.205 1.601 6.531 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.627 0.536 6.637 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.804 2.287 6.903 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.884 3.095 4.587 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.458 3.884 4.845 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.079 3.148 3.270 1.00 0.00 H new ATOM 694 N ILE A 46 6.499 2.793 2.367 1.00 0.00 N ATOM 695 CA ILE A 46 6.809 2.896 0.920 1.00 0.00 C ATOM 696 C ILE A 46 8.147 2.203 0.626 1.00 0.00 C ATOM 697 O ILE A 46 8.231 1.412 -0.298 1.00 0.00 O ATOM 698 CB ILE A 46 6.861 4.387 0.401 1.00 0.00 C ATOM 699 CG1 ILE A 46 5.463 5.066 0.535 1.00 0.00 C ATOM 700 CG2 ILE A 46 7.366 4.477 -1.075 1.00 0.00 C ATOM 701 CD1 ILE A 46 5.451 6.568 0.297 1.00 0.00 C ATOM 0 H ILE A 46 6.441 3.692 2.845 1.00 0.00 H new ATOM 0 HA ILE A 46 5.996 2.402 0.388 1.00 0.00 H new ATOM 0 HB ILE A 46 7.577 4.920 1.027 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.779 4.596 -0.171 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.075 4.869 1.534 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.386 5.520 -1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.370 4.059 -1.142 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.695 3.915 -1.724 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.435 6.947 0.413 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.105 7.056 1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.804 6.779 -0.712 1.00 0.00 H new ATOM 713 N THR A 47 9.160 2.485 1.476 1.00 0.00 N ATOM 714 CA THR A 47 10.508 1.897 1.359 1.00 0.00 C ATOM 715 C THR A 47 10.435 0.358 1.414 1.00 0.00 C ATOM 716 O THR A 47 11.022 -0.334 0.587 1.00 0.00 O ATOM 717 CB THR A 47 11.459 2.418 2.493 1.00 0.00 C ATOM 718 OG1 THR A 47 11.502 3.852 2.484 1.00 0.00 O ATOM 719 CG2 THR A 47 12.895 1.878 2.356 1.00 0.00 C ATOM 0 H THR A 47 9.063 3.128 2.262 1.00 0.00 H new ATOM 0 HA THR A 47 10.916 2.205 0.396 1.00 0.00 H new ATOM 0 HB THR A 47 11.049 2.053 3.435 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.655 4.207 2.826 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.510 2.270 3.166 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.881 0.789 2.406 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.312 2.192 1.399 1.00 0.00 H new ATOM 727 N ALA A 48 9.661 -0.151 2.385 1.00 0.00 N ATOM 728 CA ALA A 48 9.457 -1.597 2.579 1.00 0.00 C ATOM 729 C ALA A 48 8.735 -2.236 1.368 1.00 0.00 C ATOM 730 O ALA A 48 9.060 -3.361 0.972 1.00 0.00 O ATOM 731 CB ALA A 48 8.701 -1.847 3.884 1.00 0.00 C ATOM 0 H ALA A 48 9.158 0.427 3.058 1.00 0.00 H new ATOM 0 HA ALA A 48 10.433 -2.078 2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.554 -2.918 4.020 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.277 -1.451 4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.732 -1.350 3.844 1.00 0.00 H new ATOM 737 N LEU A 49 7.772 -1.493 0.771 1.00 0.00 N ATOM 738 CA LEU A 49 7.104 -1.891 -0.496 1.00 0.00 C ATOM 739 C LEU A 49 8.168 -2.073 -1.613 1.00 0.00 C ATOM 740 O LEU A 49 8.204 -3.127 -2.272 1.00 0.00 O ATOM 741 CB LEU A 49 6.006 -0.841 -0.930 1.00 0.00 C ATOM 742 CG LEU A 49 4.506 -1.160 -0.584 1.00 0.00 C ATOM 743 CD1 LEU A 49 4.044 -2.474 -1.242 1.00 0.00 C ATOM 744 CD2 LEU A 49 4.239 -1.173 0.933 1.00 0.00 C ATOM 0 H LEU A 49 7.437 -0.607 1.149 1.00 0.00 H new ATOM 0 HA LEU A 49 6.593 -2.839 -0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.259 0.116 -0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.079 -0.707 -2.009 1.00 0.00 H new ATOM 0 HG LEU A 49 3.912 -0.347 -1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.003 -2.664 -0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.139 -2.392 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.663 -3.297 -0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.188 -1.398 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.861 -1.934 1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.479 -0.196 1.353 1.00 0.00 H new ATOM 756 N GLU A 50 9.040 -1.041 -1.772 1.00 0.00 N ATOM 757 CA GLU A 50 10.129 -1.004 -2.783 1.00 0.00 C ATOM 758 C GLU A 50 10.971 -2.289 -2.725 1.00 0.00 C ATOM 759 O GLU A 50 11.183 -2.959 -3.741 1.00 0.00 O ATOM 760 CB GLU A 50 11.089 0.211 -2.539 1.00 0.00 C ATOM 761 CG GLU A 50 10.429 1.598 -2.470 1.00 0.00 C ATOM 762 CD GLU A 50 9.843 2.067 -3.794 1.00 0.00 C ATOM 763 OE1 GLU A 50 10.608 2.609 -4.621 1.00 0.00 O ATOM 764 OE2 GLU A 50 8.625 1.907 -4.014 1.00 0.00 O ATOM 0 H GLU A 50 9.005 -0.202 -1.194 1.00 0.00 H new ATOM 0 HA GLU A 50 9.652 -0.908 -3.758 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.626 0.041 -1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.832 0.225 -3.336 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.638 1.576 -1.721 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.168 2.325 -2.133 1.00 0.00 H new ATOM 771 N GLU A 51 11.414 -2.611 -1.499 1.00 0.00 N ATOM 772 CA GLU A 51 12.332 -3.725 -1.231 1.00 0.00 C ATOM 773 C GLU A 51 11.678 -5.083 -1.549 1.00 0.00 C ATOM 774 O GLU A 51 12.224 -5.868 -2.328 1.00 0.00 O ATOM 775 CB GLU A 51 12.817 -3.681 0.248 1.00 0.00 C ATOM 776 CG GLU A 51 13.442 -2.337 0.699 1.00 0.00 C ATOM 777 CD GLU A 51 14.570 -1.819 -0.220 1.00 0.00 C ATOM 778 OE1 GLU A 51 15.723 -2.259 -0.063 1.00 0.00 O ATOM 779 OE2 GLU A 51 14.305 -0.973 -1.110 1.00 0.00 O ATOM 0 H GLU A 51 11.141 -2.099 -0.660 1.00 0.00 H new ATOM 0 HA GLU A 51 13.195 -3.614 -1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.971 -3.906 0.898 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.552 -4.472 0.396 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.656 -1.583 0.750 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.837 -2.454 1.708 1.00 0.00 H new ATOM 786 N TYR A 52 10.491 -5.325 -0.960 1.00 0.00 N ATOM 787 CA TYR A 52 9.805 -6.634 -1.032 1.00 0.00 C ATOM 788 C TYR A 52 9.354 -7.001 -2.455 1.00 0.00 C ATOM 789 O TYR A 52 9.572 -8.135 -2.899 1.00 0.00 O ATOM 790 CB TYR A 52 8.616 -6.693 -0.025 1.00 0.00 C ATOM 791 CG TYR A 52 9.067 -7.057 1.396 1.00 0.00 C ATOM 792 CD1 TYR A 52 9.444 -8.369 1.690 1.00 0.00 C ATOM 793 CD2 TYR A 52 9.167 -6.110 2.412 1.00 0.00 C ATOM 794 CE1 TYR A 52 9.885 -8.722 2.939 1.00 0.00 C ATOM 795 CE2 TYR A 52 9.604 -6.463 3.671 1.00 0.00 C ATOM 796 CZ TYR A 52 9.972 -7.770 3.922 1.00 0.00 C ATOM 797 OH TYR A 52 10.437 -8.130 5.162 1.00 0.00 O ATOM 0 H TYR A 52 9.981 -4.624 -0.423 1.00 0.00 H new ATOM 0 HA TYR A 52 10.539 -7.387 -0.746 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.112 -5.727 -0.006 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.887 -7.426 -0.371 1.00 0.00 H new ATOM 0 HD1 TYR A 52 9.387 -9.121 0.917 1.00 0.00 H new ATOM 0 HD2 TYR A 52 8.898 -5.084 2.211 1.00 0.00 H new ATOM 0 HE1 TYR A 52 10.162 -9.745 3.148 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.658 -5.723 4.455 1.00 0.00 H new ATOM 0 HH TYR A 52 10.441 -7.346 5.750 1.00 0.00 H new ATOM 807 N PHE A 53 8.732 -6.052 -3.164 1.00 0.00 N ATOM 808 CA PHE A 53 8.168 -6.306 -4.510 1.00 0.00 C ATOM 809 C PHE A 53 9.194 -5.991 -5.628 1.00 0.00 C ATOM 810 O PHE A 53 8.962 -6.364 -6.786 1.00 0.00 O ATOM 811 CB PHE A 53 6.873 -5.479 -4.723 1.00 0.00 C ATOM 812 CG PHE A 53 5.697 -5.808 -3.794 1.00 0.00 C ATOM 813 CD1 PHE A 53 5.807 -5.666 -2.410 1.00 0.00 C ATOM 814 CD2 PHE A 53 4.480 -6.256 -4.304 1.00 0.00 C ATOM 815 CE1 PHE A 53 4.744 -5.956 -1.577 1.00 0.00 C ATOM 816 CE2 PHE A 53 3.420 -6.540 -3.469 1.00 0.00 C ATOM 817 CZ PHE A 53 3.553 -6.395 -2.107 1.00 0.00 C ATOM 0 H PHE A 53 8.602 -5.096 -2.833 1.00 0.00 H new ATOM 0 HA PHE A 53 7.925 -7.367 -4.568 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.118 -4.423 -4.605 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.544 -5.617 -5.753 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.738 -5.324 -1.983 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.365 -6.383 -5.370 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.848 -5.838 -0.509 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.482 -6.877 -3.885 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.723 -6.626 -1.455 1.00 0.00 H new ATOM 827 N ASP A 54 10.297 -5.281 -5.269 1.00 0.00 N ATOM 828 CA ASP A 54 11.399 -4.906 -6.201 1.00 0.00 C ATOM 829 C ASP A 54 10.911 -3.925 -7.283 1.00 0.00 C ATOM 830 O ASP A 54 11.331 -3.997 -8.445 1.00 0.00 O ATOM 831 CB ASP A 54 12.085 -6.156 -6.836 1.00 0.00 C ATOM 832 CG ASP A 54 12.881 -7.004 -5.829 1.00 0.00 C ATOM 833 OD1 ASP A 54 13.834 -6.473 -5.222 1.00 0.00 O ATOM 834 OD2 ASP A 54 12.571 -8.200 -5.645 1.00 0.00 O ATOM 0 H ASP A 54 10.449 -4.949 -4.317 1.00 0.00 H new ATOM 0 HA ASP A 54 12.156 -4.396 -5.606 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.322 -6.781 -7.301 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.755 -5.827 -7.630 1.00 0.00 H new ATOM 839 N PHE A 55 10.061 -2.974 -6.870 1.00 0.00 N ATOM 840 CA PHE A 55 9.436 -1.979 -7.776 1.00 0.00 C ATOM 841 C PHE A 55 9.575 -0.566 -7.185 1.00 0.00 C ATOM 842 O PHE A 55 10.131 -0.406 -6.093 1.00 0.00 O ATOM 843 CB PHE A 55 7.939 -2.342 -8.026 1.00 0.00 C ATOM 844 CG PHE A 55 6.951 -2.009 -6.892 1.00 0.00 C ATOM 845 CD1 PHE A 55 7.265 -2.215 -5.553 1.00 0.00 C ATOM 846 CD2 PHE A 55 5.697 -1.500 -7.182 1.00 0.00 C ATOM 847 CE1 PHE A 55 6.358 -1.930 -4.561 1.00 0.00 C ATOM 848 CE2 PHE A 55 4.795 -1.214 -6.181 1.00 0.00 C ATOM 849 CZ PHE A 55 5.126 -1.433 -4.872 1.00 0.00 C ATOM 0 H PHE A 55 9.782 -2.866 -5.895 1.00 0.00 H new ATOM 0 HA PHE A 55 9.951 -1.997 -8.736 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.609 -1.826 -8.928 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.877 -3.411 -8.229 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.237 -2.605 -5.289 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.421 -1.324 -8.211 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.622 -2.101 -3.528 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.823 -0.815 -6.431 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.416 -1.214 -4.089 1.00 0.00 H new ATOM 859 N SER A 56 9.066 0.449 -7.902 1.00 0.00 N ATOM 860 CA SER A 56 9.043 1.825 -7.398 1.00 0.00 C ATOM 861 C SER A 56 7.649 2.451 -7.552 1.00 0.00 C ATOM 862 O SER A 56 7.203 2.705 -8.675 1.00 0.00 O ATOM 863 CB SER A 56 10.106 2.670 -8.135 1.00 0.00 C ATOM 864 OG SER A 56 10.268 3.944 -7.534 1.00 0.00 O ATOM 0 H SER A 56 8.665 0.339 -8.833 1.00 0.00 H new ATOM 0 HA SER A 56 9.279 1.807 -6.334 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.059 2.141 -8.131 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.815 2.793 -9.178 1.00 0.00 H new ATOM 0 HG SER A 56 10.367 3.838 -6.565 1.00 0.00 H new ATOM 870 N VAL A 57 6.981 2.705 -6.408 1.00 0.00 N ATOM 871 CA VAL A 57 5.697 3.418 -6.359 1.00 0.00 C ATOM 872 C VAL A 57 5.959 4.901 -6.709 1.00 0.00 C ATOM 873 O VAL A 57 6.639 5.600 -5.955 1.00 0.00 O ATOM 874 CB VAL A 57 4.989 3.304 -4.944 1.00 0.00 C ATOM 875 CG1 VAL A 57 3.499 3.721 -5.035 1.00 0.00 C ATOM 876 CG2 VAL A 57 5.128 1.898 -4.322 1.00 0.00 C ATOM 0 H VAL A 57 7.322 2.418 -5.491 1.00 0.00 H new ATOM 0 HA VAL A 57 5.018 2.960 -7.078 1.00 0.00 H new ATOM 0 HB VAL A 57 5.505 3.996 -4.279 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.036 3.634 -4.052 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.430 4.753 -5.378 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.981 3.069 -5.739 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.625 1.877 -3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.673 1.161 -4.984 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.184 1.662 -4.187 1.00 0.00 H new ATOM 886 N ASP A 58 5.423 5.353 -7.848 1.00 0.00 N ATOM 887 CA ASP A 58 5.780 6.657 -8.457 1.00 0.00 C ATOM 888 C ASP A 58 5.256 7.831 -7.593 1.00 0.00 C ATOM 889 O ASP A 58 4.227 7.700 -6.951 1.00 0.00 O ATOM 890 CB ASP A 58 5.213 6.710 -9.897 1.00 0.00 C ATOM 891 CG ASP A 58 5.559 8.010 -10.634 1.00 0.00 C ATOM 892 OD1 ASP A 58 6.678 8.126 -11.165 1.00 0.00 O ATOM 893 OD2 ASP A 58 4.723 8.933 -10.663 1.00 0.00 O ATOM 0 H ASP A 58 4.728 4.831 -8.381 1.00 0.00 H new ATOM 0 HA ASP A 58 6.864 6.757 -8.501 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.600 5.864 -10.465 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.129 6.599 -9.858 1.00 0.00 H new ATOM 898 N ASP A 59 5.984 8.959 -7.567 1.00 0.00 N ATOM 899 CA ASP A 59 5.631 10.131 -6.727 1.00 0.00 C ATOM 900 C ASP A 59 4.232 10.711 -7.077 1.00 0.00 C ATOM 901 O ASP A 59 3.429 11.001 -6.179 1.00 0.00 O ATOM 902 CB ASP A 59 6.724 11.223 -6.866 1.00 0.00 C ATOM 903 CG ASP A 59 6.558 12.395 -5.876 1.00 0.00 C ATOM 904 OD1 ASP A 59 5.775 13.327 -6.153 1.00 0.00 O ATOM 905 OD2 ASP A 59 7.215 12.395 -4.817 1.00 0.00 O ATOM 0 H ASP A 59 6.830 9.091 -8.121 1.00 0.00 H new ATOM 0 HA ASP A 59 5.581 9.793 -5.692 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.702 10.767 -6.715 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.708 11.613 -7.884 1.00 0.00 H new ATOM 910 N ASP A 60 3.934 10.810 -8.391 1.00 0.00 N ATOM 911 CA ASP A 60 2.710 11.479 -8.915 1.00 0.00 C ATOM 912 C ASP A 60 1.409 10.711 -8.590 1.00 0.00 C ATOM 913 O ASP A 60 0.318 11.216 -8.852 1.00 0.00 O ATOM 914 CB ASP A 60 2.812 11.668 -10.453 1.00 0.00 C ATOM 915 CG ASP A 60 3.965 12.581 -10.896 1.00 0.00 C ATOM 916 OD1 ASP A 60 5.129 12.129 -10.908 1.00 0.00 O ATOM 917 OD2 ASP A 60 3.720 13.755 -11.239 1.00 0.00 O ATOM 0 H ASP A 60 4.533 10.430 -9.124 1.00 0.00 H new ATOM 0 HA ASP A 60 2.657 12.445 -8.413 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.935 10.691 -10.921 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.873 12.082 -10.821 1.00 0.00 H new ATOM 922 N GLU A 61 1.528 9.493 -8.044 1.00 0.00 N ATOM 923 CA GLU A 61 0.360 8.642 -7.704 1.00 0.00 C ATOM 924 C GLU A 61 0.243 8.410 -6.185 1.00 0.00 C ATOM 925 O GLU A 61 -0.779 7.890 -5.720 1.00 0.00 O ATOM 926 CB GLU A 61 0.456 7.291 -8.457 1.00 0.00 C ATOM 927 CG GLU A 61 1.716 6.484 -8.110 1.00 0.00 C ATOM 928 CD GLU A 61 1.922 5.195 -8.902 1.00 0.00 C ATOM 929 OE1 GLU A 61 1.557 5.137 -10.096 1.00 0.00 O ATOM 930 OE2 GLU A 61 2.517 4.254 -8.352 1.00 0.00 O ATOM 0 H GLU A 61 2.427 9.064 -7.823 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.542 9.166 -8.020 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.425 6.692 -8.226 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.440 7.480 -9.530 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.586 7.123 -8.261 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.684 6.235 -7.049 1.00 0.00 H new ATOM 937 N ILE A 62 1.295 8.773 -5.415 1.00 0.00 N ATOM 938 CA ILE A 62 1.276 8.633 -3.942 1.00 0.00 C ATOM 939 C ILE A 62 0.687 9.901 -3.294 1.00 0.00 C ATOM 940 O ILE A 62 1.176 11.013 -3.523 1.00 0.00 O ATOM 941 CB ILE A 62 2.696 8.370 -3.317 1.00 0.00 C ATOM 942 CG1 ILE A 62 3.408 7.167 -3.994 1.00 0.00 C ATOM 943 CG2 ILE A 62 2.574 8.119 -1.793 1.00 0.00 C ATOM 944 CD1 ILE A 62 4.812 6.889 -3.476 1.00 0.00 C ATOM 0 H ILE A 62 2.161 9.162 -5.787 1.00 0.00 H new ATOM 0 HA ILE A 62 0.656 7.761 -3.735 1.00 0.00 H new ATOM 0 HB ILE A 62 3.301 9.260 -3.491 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.799 6.274 -3.852 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.460 7.350 -5.067 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.564 7.938 -1.374 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.131 8.993 -1.315 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.941 7.249 -1.617 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.232 6.033 -4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.441 7.763 -3.643 1.00 0.00 H new ATOM 0 HD13 ILE A 62 4.770 6.671 -2.409 1.00 0.00 H new ATOM 956 N SER A 63 -0.338 9.699 -2.470 1.00 0.00 N ATOM 957 CA SER A 63 -0.985 10.742 -1.669 1.00 0.00 C ATOM 958 C SER A 63 -1.393 10.146 -0.306 1.00 0.00 C ATOM 959 O SER A 63 -1.200 8.951 -0.066 1.00 0.00 O ATOM 960 CB SER A 63 -2.220 11.286 -2.434 1.00 0.00 C ATOM 961 OG SER A 63 -2.893 12.301 -1.708 1.00 0.00 O ATOM 0 H SER A 63 -0.756 8.778 -2.335 1.00 0.00 H new ATOM 0 HA SER A 63 -0.298 11.571 -1.496 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.903 11.681 -3.399 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.910 10.467 -2.636 1.00 0.00 H new ATOM 0 HG SER A 63 -3.663 12.617 -2.225 1.00 0.00 H new ATOM 967 N ALA A 64 -1.948 10.987 0.586 1.00 0.00 N ATOM 968 CA ALA A 64 -2.635 10.511 1.807 1.00 0.00 C ATOM 969 C ALA A 64 -3.867 9.670 1.407 1.00 0.00 C ATOM 970 O ALA A 64 -4.219 8.687 2.060 1.00 0.00 O ATOM 971 CB ALA A 64 -3.050 11.699 2.694 1.00 0.00 C ATOM 0 H ALA A 64 -1.935 12.002 0.486 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.951 9.888 2.383 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.554 11.328 3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.164 12.263 2.985 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.727 12.348 2.139 1.00 0.00 H new ATOM 977 N GLN A 65 -4.462 10.057 0.265 1.00 0.00 N ATOM 978 CA GLN A 65 -5.633 9.385 -0.328 1.00 0.00 C ATOM 979 C GLN A 65 -5.267 7.982 -0.871 1.00 0.00 C ATOM 980 O GLN A 65 -6.144 7.167 -1.136 1.00 0.00 O ATOM 981 CB GLN A 65 -6.227 10.282 -1.450 1.00 0.00 C ATOM 982 CG GLN A 65 -6.454 11.756 -1.040 1.00 0.00 C ATOM 983 CD GLN A 65 -7.390 11.931 0.161 1.00 0.00 C ATOM 984 OE1 GLN A 65 -8.601 12.066 0.011 1.00 0.00 O ATOM 985 NE2 GLN A 65 -6.836 11.933 1.359 1.00 0.00 N ATOM 0 H GLN A 65 -4.139 10.856 -0.280 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.384 9.238 0.448 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.558 10.256 -2.310 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.178 9.857 -1.772 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.491 12.210 -0.806 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.865 12.300 -1.890 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.827 11.819 1.454 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.417 12.049 2.189 1.00 0.00 H new ATOM 994 N THR A 66 -3.957 7.723 -1.044 1.00 0.00 N ATOM 995 CA THR A 66 -3.433 6.392 -1.397 1.00 0.00 C ATOM 996 C THR A 66 -3.484 5.468 -0.161 1.00 0.00 C ATOM 997 O THR A 66 -3.843 4.299 -0.270 1.00 0.00 O ATOM 998 CB THR A 66 -1.971 6.512 -1.945 1.00 0.00 C ATOM 999 OG1 THR A 66 -1.968 7.383 -3.086 1.00 0.00 O ATOM 1000 CG2 THR A 66 -1.334 5.162 -2.328 1.00 0.00 C ATOM 0 H THR A 66 -3.232 8.433 -0.942 1.00 0.00 H new ATOM 0 HA THR A 66 -4.053 5.958 -2.182 1.00 0.00 H new ATOM 0 HB THR A 66 -1.365 6.916 -1.134 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.376 7.017 -3.776 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.323 5.329 -2.698 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.297 4.515 -1.451 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.931 4.685 -3.105 1.00 0.00 H new ATOM 1008 N PHE A 67 -3.165 6.036 1.020 1.00 0.00 N ATOM 1009 CA PHE A 67 -3.090 5.291 2.303 1.00 0.00 C ATOM 1010 C PHE A 67 -4.404 5.348 3.102 1.00 0.00 C ATOM 1011 O PHE A 67 -4.407 5.043 4.304 1.00 0.00 O ATOM 1012 CB PHE A 67 -1.909 5.832 3.155 1.00 0.00 C ATOM 1013 CG PHE A 67 -0.548 5.592 2.520 1.00 0.00 C ATOM 1014 CD1 PHE A 67 -0.002 6.509 1.626 1.00 0.00 C ATOM 1015 CD2 PHE A 67 0.176 4.436 2.802 1.00 0.00 C ATOM 1016 CE1 PHE A 67 1.223 6.279 1.039 1.00 0.00 C ATOM 1017 CE2 PHE A 67 1.399 4.207 2.211 1.00 0.00 C ATOM 1018 CZ PHE A 67 1.922 5.129 1.333 1.00 0.00 C ATOM 0 H PHE A 67 -2.950 7.029 1.116 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.919 4.242 2.062 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.045 6.902 3.313 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.932 5.359 4.137 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.545 7.412 1.390 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.227 3.710 3.493 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.635 7.000 0.349 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.947 3.304 2.436 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.883 4.950 0.873 1.00 0.00 H new ATOM 1028 N GLU A 68 -5.519 5.716 2.437 1.00 0.00 N ATOM 1029 CA GLU A 68 -6.841 5.774 3.092 1.00 0.00 C ATOM 1030 C GLU A 68 -7.286 4.361 3.555 1.00 0.00 C ATOM 1031 O GLU A 68 -7.727 4.199 4.692 1.00 0.00 O ATOM 1032 CB GLU A 68 -7.912 6.434 2.173 1.00 0.00 C ATOM 1033 CG GLU A 68 -8.207 5.688 0.859 1.00 0.00 C ATOM 1034 CD GLU A 68 -9.371 6.301 0.063 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -10.540 5.949 0.337 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -9.132 7.145 -0.824 1.00 0.00 O ATOM 0 H GLU A 68 -5.530 5.976 1.451 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.746 6.406 3.975 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.841 6.526 2.735 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.585 7.445 1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.311 5.689 0.239 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.438 4.647 1.084 1.00 0.00 H new ATOM 1043 N THR A 69 -7.150 3.345 2.668 1.00 0.00 N ATOM 1044 CA THR A 69 -7.487 1.939 2.981 1.00 0.00 C ATOM 1045 C THR A 69 -6.429 0.968 2.411 1.00 0.00 C ATOM 1046 O THR A 69 -5.654 1.324 1.501 1.00 0.00 O ATOM 1047 CB THR A 69 -8.903 1.532 2.424 1.00 0.00 C ATOM 1048 OG1 THR A 69 -8.946 1.732 1.009 1.00 0.00 O ATOM 1049 CG2 THR A 69 -10.060 2.310 3.076 1.00 0.00 C ATOM 0 H THR A 69 -6.804 3.479 1.718 1.00 0.00 H new ATOM 0 HA THR A 69 -7.503 1.865 4.068 1.00 0.00 H new ATOM 0 HB THR A 69 -9.040 0.479 2.671 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.829 1.476 0.669 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.007 1.981 2.647 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.064 2.124 4.150 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.930 3.377 2.893 1.00 0.00 H new ATOM 1057 N LEU A 70 -6.419 -0.269 2.965 1.00 0.00 N ATOM 1058 CA LEU A 70 -5.549 -1.374 2.506 1.00 0.00 C ATOM 1059 C LEU A 70 -5.793 -1.680 1.019 1.00 0.00 C ATOM 1060 O LEU A 70 -4.848 -1.885 0.247 1.00 0.00 O ATOM 1061 CB LEU A 70 -5.812 -2.660 3.343 1.00 0.00 C ATOM 1062 CG LEU A 70 -4.953 -3.909 2.950 1.00 0.00 C ATOM 1063 CD1 LEU A 70 -3.459 -3.648 3.202 1.00 0.00 C ATOM 1064 CD2 LEU A 70 -5.434 -5.188 3.675 1.00 0.00 C ATOM 0 H LEU A 70 -7.019 -0.527 3.748 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.514 -1.060 2.641 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.630 -2.432 4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.866 -2.923 3.251 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.089 -4.079 1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.883 -4.530 2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.133 -2.796 2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.300 -3.432 4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.812 -6.032 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.357 -5.046 4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.472 -5.389 3.408 1.00 0.00 H new ATOM 1076 N GLY A 71 -7.088 -1.688 0.657 1.00 0.00 N ATOM 1077 CA GLY A 71 -7.535 -1.984 -0.697 1.00 0.00 C ATOM 1078 C GLY A 71 -7.026 -0.971 -1.713 1.00 0.00 C ATOM 1079 O GLY A 71 -6.787 -1.322 -2.868 1.00 0.00 O ATOM 0 H GLY A 71 -7.850 -1.487 1.305 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.194 -2.980 -0.979 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.625 -2.002 -0.721 1.00 0.00 H new ATOM 1083 N SER A 72 -6.848 0.292 -1.262 1.00 0.00 N ATOM 1084 CA SER A 72 -6.291 1.368 -2.095 1.00 0.00 C ATOM 1085 C SER A 72 -4.840 1.035 -2.505 1.00 0.00 C ATOM 1086 O SER A 72 -4.546 0.985 -3.707 1.00 0.00 O ATOM 1087 CB SER A 72 -6.366 2.720 -1.355 1.00 0.00 C ATOM 1088 OG SER A 72 -7.707 3.058 -1.034 1.00 0.00 O ATOM 0 H SER A 72 -7.087 0.587 -0.315 1.00 0.00 H new ATOM 0 HA SER A 72 -6.887 1.451 -3.004 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.772 2.671 -0.442 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.930 3.502 -1.977 1.00 0.00 H new ATOM 0 HG SER A 72 -8.052 2.429 -0.366 1.00 0.00 H new ATOM 1094 N LEU A 73 -3.963 0.730 -1.503 1.00 0.00 N ATOM 1095 CA LEU A 73 -2.549 0.346 -1.768 1.00 0.00 C ATOM 1096 C LEU A 73 -2.499 -0.877 -2.685 1.00 0.00 C ATOM 1097 O LEU A 73 -1.698 -0.932 -3.611 1.00 0.00 O ATOM 1098 CB LEU A 73 -1.755 0.009 -0.467 1.00 0.00 C ATOM 1099 CG LEU A 73 -1.295 1.194 0.428 1.00 0.00 C ATOM 1100 CD1 LEU A 73 -0.441 2.200 -0.366 1.00 0.00 C ATOM 1101 CD2 LEU A 73 -2.486 1.863 1.115 1.00 0.00 C ATOM 0 H LEU A 73 -4.211 0.743 -0.514 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.083 1.212 -2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.374 -0.650 0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.869 -0.559 -0.752 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.657 0.791 1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.136 3.016 0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.444 1.698 -0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.026 2.600 -1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.133 2.688 1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.174 2.244 0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.001 1.134 1.741 1.00 0.00 H new ATOM 1113 N ALA A 74 -3.386 -1.842 -2.395 1.00 0.00 N ATOM 1114 CA ALA A 74 -3.463 -3.106 -3.115 1.00 0.00 C ATOM 1115 C ALA A 74 -3.793 -2.887 -4.601 1.00 0.00 C ATOM 1116 O ALA A 74 -3.161 -3.496 -5.446 1.00 0.00 O ATOM 1117 CB ALA A 74 -4.460 -4.046 -2.447 1.00 0.00 C ATOM 0 H ALA A 74 -4.073 -1.758 -1.646 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.482 -3.579 -3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.502 -4.984 -3.000 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.144 -4.243 -1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.447 -3.584 -2.440 1.00 0.00 H new ATOM 1123 N LEU A 75 -4.744 -1.969 -4.898 1.00 0.00 N ATOM 1124 CA LEU A 75 -5.129 -1.621 -6.290 1.00 0.00 C ATOM 1125 C LEU A 75 -3.934 -0.988 -7.043 1.00 0.00 C ATOM 1126 O LEU A 75 -3.608 -1.408 -8.172 1.00 0.00 O ATOM 1127 CB LEU A 75 -6.381 -0.668 -6.338 1.00 0.00 C ATOM 1128 CG LEU A 75 -7.764 -1.320 -6.692 1.00 0.00 C ATOM 1129 CD1 LEU A 75 -7.692 -2.131 -8.004 1.00 0.00 C ATOM 1130 CD2 LEU A 75 -8.312 -2.163 -5.532 1.00 0.00 C ATOM 0 H LEU A 75 -5.262 -1.452 -4.188 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.409 -2.548 -6.789 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.475 -0.184 -5.366 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.181 0.117 -7.067 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.470 -0.505 -6.855 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.668 -2.567 -8.216 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.403 -1.473 -8.823 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.954 -2.926 -7.900 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.270 -2.596 -5.818 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.608 -2.962 -5.298 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.447 -1.530 -4.655 1.00 0.00 H new ATOM 1142 N PHE A 76 -3.277 0.003 -6.389 1.00 0.00 N ATOM 1143 CA PHE A 76 -2.087 0.678 -6.951 1.00 0.00 C ATOM 1144 C PHE A 76 -1.022 -0.361 -7.347 1.00 0.00 C ATOM 1145 O PHE A 76 -0.636 -0.431 -8.514 1.00 0.00 O ATOM 1146 CB PHE A 76 -1.494 1.731 -5.957 1.00 0.00 C ATOM 1147 CG PHE A 76 -2.222 3.082 -5.957 1.00 0.00 C ATOM 1148 CD1 PHE A 76 -1.929 4.046 -6.925 1.00 0.00 C ATOM 1149 CD2 PHE A 76 -3.180 3.397 -4.994 1.00 0.00 C ATOM 1150 CE1 PHE A 76 -2.577 5.267 -6.932 1.00 0.00 C ATOM 1151 CE2 PHE A 76 -3.829 4.619 -5.002 1.00 0.00 C ATOM 1152 CZ PHE A 76 -3.522 5.556 -5.967 1.00 0.00 C ATOM 0 H PHE A 76 -3.554 0.350 -5.471 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.401 1.218 -7.844 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.522 1.317 -4.949 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.446 1.897 -6.205 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.185 3.834 -7.679 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.420 2.674 -4.228 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.344 5.996 -7.694 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.575 4.839 -4.253 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.020 6.514 -5.968 1.00 0.00 H new ATOM 1162 N VAL A 77 -0.638 -1.220 -6.383 1.00 0.00 N ATOM 1163 CA VAL A 77 0.423 -2.225 -6.576 1.00 0.00 C ATOM 1164 C VAL A 77 0.015 -3.327 -7.587 1.00 0.00 C ATOM 1165 O VAL A 77 0.894 -3.925 -8.213 1.00 0.00 O ATOM 1166 CB VAL A 77 0.951 -2.829 -5.223 1.00 0.00 C ATOM 1167 CG1 VAL A 77 1.480 -1.714 -4.283 1.00 0.00 C ATOM 1168 CG2 VAL A 77 -0.114 -3.676 -4.521 1.00 0.00 C ATOM 0 H VAL A 77 -1.054 -1.236 -5.452 1.00 0.00 H new ATOM 0 HA VAL A 77 1.264 -1.689 -7.016 1.00 0.00 H new ATOM 0 HB VAL A 77 1.782 -3.490 -5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.839 -2.160 -3.355 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.298 -1.184 -4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.675 -1.013 -4.061 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.292 -4.074 -3.591 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.984 -3.058 -4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.409 -4.500 -5.170 1.00 0.00 H new ATOM 1178 N GLU A 78 -1.310 -3.593 -7.756 1.00 0.00 N ATOM 1179 CA GLU A 78 -1.795 -4.471 -8.858 1.00 0.00 C ATOM 1180 C GLU A 78 -1.317 -3.906 -10.209 1.00 0.00 C ATOM 1181 O GLU A 78 -0.693 -4.614 -11.012 1.00 0.00 O ATOM 1182 CB GLU A 78 -3.351 -4.609 -8.918 1.00 0.00 C ATOM 1183 CG GLU A 78 -4.045 -5.282 -7.721 1.00 0.00 C ATOM 1184 CD GLU A 78 -3.421 -6.619 -7.288 1.00 0.00 C ATOM 1185 OE1 GLU A 78 -3.255 -7.522 -8.142 1.00 0.00 O ATOM 1186 OE2 GLU A 78 -3.112 -6.782 -6.089 1.00 0.00 O ATOM 0 H GLU A 78 -2.047 -3.221 -7.157 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.385 -5.461 -8.657 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.774 -3.611 -9.036 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.606 -5.172 -9.816 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.026 -4.596 -6.874 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.092 -5.449 -7.972 1.00 0.00 H new ATOM 1193 N HIS A 79 -1.593 -2.598 -10.412 1.00 0.00 N ATOM 1194 CA HIS A 79 -1.266 -1.885 -11.674 1.00 0.00 C ATOM 1195 C HIS A 79 0.262 -1.749 -11.879 1.00 0.00 C ATOM 1196 O HIS A 79 0.740 -1.716 -13.018 1.00 0.00 O ATOM 1197 CB HIS A 79 -1.935 -0.484 -11.687 1.00 0.00 C ATOM 1198 CG HIS A 79 -3.445 -0.500 -11.755 1.00 0.00 C ATOM 1199 ND1 HIS A 79 -4.168 0.366 -12.545 1.00 0.00 N ATOM 1200 CD2 HIS A 79 -4.366 -1.240 -11.090 1.00 0.00 C ATOM 1201 CE1 HIS A 79 -5.453 0.163 -12.360 1.00 0.00 C ATOM 1202 NE2 HIS A 79 -5.604 -0.806 -11.478 1.00 0.00 N ATOM 0 H HIS A 79 -2.045 -2.008 -9.713 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.658 -2.480 -12.499 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.632 0.055 -10.790 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.553 0.077 -12.540 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.160 -2.029 -10.382 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -6.252 0.700 -12.849 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.495 -1.171 -11.141 1.00 0.00 H new ATOM 1211 N LYS A 80 1.003 -1.667 -10.764 1.00 0.00 N ATOM 1212 CA LYS A 80 2.472 -1.504 -10.768 1.00 0.00 C ATOM 1213 C LYS A 80 3.186 -2.711 -11.376 1.00 0.00 C ATOM 1214 O LYS A 80 3.943 -2.581 -12.345 1.00 0.00 O ATOM 1215 CB LYS A 80 2.990 -1.278 -9.332 1.00 0.00 C ATOM 1216 CG LYS A 80 2.450 -0.014 -8.645 1.00 0.00 C ATOM 1217 CD LYS A 80 2.835 1.265 -9.378 1.00 0.00 C ATOM 1218 CE LYS A 80 4.334 1.565 -9.305 1.00 0.00 C ATOM 1219 NZ LYS A 80 4.657 2.857 -9.957 1.00 0.00 N ATOM 0 H LYS A 80 0.602 -1.712 -9.827 1.00 0.00 H new ATOM 0 HA LYS A 80 2.693 -0.634 -11.386 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.728 -2.145 -8.725 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.078 -1.224 -9.357 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.364 -0.077 -8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.829 0.029 -7.624 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.537 1.183 -10.423 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.281 2.102 -8.953 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.651 1.592 -8.263 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.892 0.762 -9.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.606 3.166 -9.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.634 2.740 -10.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.958 3.573 -9.674 1.00 0.00 H new ATOM 1233 N LEU A 81 2.920 -3.888 -10.793 1.00 0.00 N ATOM 1234 CA LEU A 81 3.536 -5.155 -11.225 1.00 0.00 C ATOM 1235 C LEU A 81 3.015 -5.589 -12.622 1.00 0.00 C ATOM 1236 O LEU A 81 3.592 -6.488 -13.243 1.00 0.00 O ATOM 1237 CB LEU A 81 3.346 -6.276 -10.151 1.00 0.00 C ATOM 1238 CG LEU A 81 4.212 -6.166 -8.833 1.00 0.00 C ATOM 1239 CD1 LEU A 81 5.710 -5.954 -9.147 1.00 0.00 C ATOM 1240 CD2 LEU A 81 3.690 -5.081 -7.866 1.00 0.00 C ATOM 0 H LEU A 81 2.274 -3.991 -10.011 1.00 0.00 H new ATOM 0 HA LEU A 81 4.609 -4.988 -11.323 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.295 -6.295 -9.864 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.565 -7.235 -10.621 1.00 0.00 H new ATOM 0 HG LEU A 81 4.108 -7.123 -8.322 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.271 -5.883 -8.215 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.082 -6.796 -9.731 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.836 -5.033 -9.717 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.322 -5.050 -6.979 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.712 -4.111 -8.362 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.666 -5.316 -7.574 1.00 0.00 H new ATOM 1252 N SER A 82 1.920 -4.950 -13.102 1.00 0.00 N ATOM 1253 CA SER A 82 1.447 -5.104 -14.496 1.00 0.00 C ATOM 1254 C SER A 82 2.459 -4.485 -15.486 1.00 0.00 C ATOM 1255 O SER A 82 2.686 -5.027 -16.570 1.00 0.00 O ATOM 1256 CB SER A 82 0.067 -4.439 -14.679 1.00 0.00 C ATOM 1257 OG SER A 82 -0.894 -4.945 -13.768 1.00 0.00 O ATOM 0 H SER A 82 1.347 -4.321 -12.540 1.00 0.00 H new ATOM 0 HA SER A 82 1.356 -6.170 -14.704 1.00 0.00 H new ATOM 0 HB2 SER A 82 0.163 -3.362 -14.543 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.281 -4.601 -15.699 1.00 0.00 H new ATOM 0 HG SER A 82 -0.620 -4.732 -12.852 1.00 0.00 H new ATOM 1263 N HIS A 83 3.046 -3.336 -15.098 1.00 0.00 N ATOM 1264 CA HIS A 83 4.049 -2.624 -15.913 1.00 0.00 C ATOM 1265 C HIS A 83 5.424 -3.330 -15.806 1.00 0.00 C ATOM 1266 O HIS A 83 5.775 -4.121 -16.709 1.00 0.00 O ATOM 1267 CB HIS A 83 4.152 -1.136 -15.469 1.00 0.00 C ATOM 1268 CG HIS A 83 2.958 -0.295 -15.820 1.00 0.00 C ATOM 1269 ND1 HIS A 83 1.982 0.065 -14.914 1.00 0.00 N ATOM 1270 CD2 HIS A 83 2.611 0.291 -16.989 1.00 0.00 C ATOM 1271 CE1 HIS A 83 1.094 0.836 -15.512 1.00 0.00 C ATOM 1272 NE2 HIS A 83 1.450 0.984 -16.770 1.00 0.00 N ATOM 1273 OXT HIS A 83 6.135 -3.113 -14.807 1.00 0.00 O ATOM 0 H HIS A 83 2.838 -2.876 -14.212 1.00 0.00 H new ATOM 0 HA HIS A 83 3.734 -2.645 -16.956 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.299 -1.102 -14.390 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.038 -0.695 -15.926 1.00 0.00 H new ATOM 0 HD1 HIS A 83 1.952 -0.220 -13.935 1.00 0.00 H new ATOM 0 HD2 HIS A 83 3.150 0.225 -17.923 1.00 0.00 H new ATOM 0 HE1 HIS A 83 0.222 1.272 -15.047 1.00 0.00 H new TER 1282 HIS A 83 HETATM 1283 P24 PNS A 84 5.998 13.908 9.315 1.00 0.00 P HETATM 1284 O25 PNS A 84 5.673 12.861 10.314 1.00 0.00 O HETATM 1285 O26 PNS A 84 5.254 15.190 9.190 1.00 0.00 O HETATM 1286 O27 PNS A 84 6.753 13.428 7.992 1.00 0.00 O HETATM 1287 C28 PNS A 84 7.288 14.341 7.046 1.00 0.00 C HETATM 1288 C29 PNS A 84 7.528 13.591 5.695 1.00 0.00 C HETATM 1289 C30 PNS A 84 6.202 12.872 5.275 1.00 0.00 C HETATM 1290 C31 PNS A 84 8.627 12.523 5.931 1.00 0.00 C HETATM 1291 C32 PNS A 84 7.972 14.592 4.550 1.00 0.00 C HETATM 1292 O33 PNS A 84 9.317 15.048 4.784 1.00 0.00 O HETATM 1293 C34 PNS A 84 7.901 13.909 3.158 1.00 0.00 C HETATM 1294 O35 PNS A 84 7.020 14.223 2.358 1.00 0.00 O HETATM 1295 N36 PNS A 84 8.850 13.003 2.886 1.00 0.00 N HETATM 1296 C37 PNS A 84 8.928 12.237 1.628 1.00 0.00 C HETATM 1297 C38 PNS A 84 7.928 11.046 1.600 1.00 0.00 C HETATM 1298 C39 PNS A 84 6.635 11.284 0.822 1.00 0.00 C HETATM 1299 O40 PNS A 84 6.476 12.310 0.143 1.00 0.00 O HETATM 1300 N41 PNS A 84 5.735 10.286 0.888 1.00 0.00 N HETATM 1301 C42 PNS A 84 4.434 10.328 0.206 1.00 0.00 C HETATM 1302 C43 PNS A 84 3.462 11.337 0.813 1.00 0.00 C HETATM 1303 S44 PNS A 84 1.893 11.388 -0.075 1.00 0.00 S HETATM 0 H432 PNS A 84 3.279 11.081 1.857 1.00 0.00 H new HETATM 0 H431 PNS A 84 3.916 12.328 0.803 1.00 0.00 H new HETATM 0 H422 PNS A 84 3.983 9.336 0.238 1.00 0.00 H new HETATM 0 H421 PNS A 84 4.591 10.573 -0.845 1.00 0.00 H new HETATM 0 H382 PNS A 84 7.670 10.788 2.627 1.00 0.00 H new HETATM 0 H381 PNS A 84 8.434 10.181 1.172 1.00 0.00 H new HETATM 0 H372 PNS A 84 9.942 11.860 1.497 1.00 0.00 H new HETATM 0 H371 PNS A 84 8.723 12.900 0.788 1.00 0.00 H new HETATM 0 H313 PNS A 84 8.815 11.983 5.003 1.00 0.00 H new HETATM 0 H312 PNS A 84 8.295 11.822 6.697 1.00 0.00 H new HETATM 0 H311 PNS A 84 9.545 13.011 6.259 1.00 0.00 H new HETATM 0 H303 PNS A 84 6.356 12.345 4.333 1.00 0.00 H new HETATM 0 H302 PNS A 84 5.411 13.611 5.151 1.00 0.00 H new HETATM 0 H301 PNS A 84 5.915 12.159 6.047 1.00 0.00 H new HETATM 0 H282 PNS A 84 8.224 14.761 7.415 1.00 0.00 H new HETATM 0 H281 PNS A 84 6.602 15.175 6.897 1.00 0.00 H new HETATM 0 H44 PNS A 84 2.114 11.286 -1.352 1.00 0.00 H new HETATM 0 H41 PNS A 84 5.967 9.459 1.439 1.00 0.00 H new HETATM 0 H36 PNS A 84 9.564 12.832 3.594 1.00 0.00 H new HETATM 0 H33 PNS A 84 9.582 15.665 4.070 1.00 0.00 H new HETATM 0 H32 PNS A 84 7.288 15.441 4.563 1.00 0.00 H new