USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=18 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 9 ASN : amide:sc= 1.04 K(o=2.3,f=-8.2!) USER MOD Set 1.2: A 21 LYS NZ :NH3+ 141:sc= 1.26 (180deg=0) USER MOD Single : A 1 MET CE :methyl -151:sc= -0.965 (180deg=-3.31!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.824 K(o=-0.82,f=-0.091) USER MOD Single : A 3 HIS : no HD1:sc= -0.0109 X(o=-0.011,f=-0.057) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.00051) USER MOD Single : A 22 HIS : no HE2:sc= 0.0946 X(o=0.095,f=-0.37) USER MOD Single : A 23 THR OG1 : rot -25:sc= 0.365 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 -24:sc= -0.811! USER MOD Single : A 33 ASN : amide:sc= -0.0732 X(o=-0.073,f=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0.612 K(o=0.61,f=0) USER MOD Single : A 47 THR OG1 : rot 76:sc= 0.407 USER MOD Single : A 52 TYR OH : rot -114:sc= 0.233 USER MOD Single : A 56 SER OG : rot 29:sc= 0.251 USER MOD Single : A 63 SER OG : rot 180:sc= -0.216 USER MOD Single : A 65 GLN : amide:sc= -0.0485 X(o=-0.049,f=-0.049) USER MOD Single : A 66 THR OG1 : rot -155:sc= 1.06 USER MOD Single : A 69 THR OG1 : rot 36:sc= 1.07 USER MOD Single : A 72 SER OG : rot -120:sc= -0.266 USER MOD Single : A 79 HIS : no HD1:sc= -0.0237 X(o=-0.024,f=-0.33) USER MOD Single : A 80 LYS NZ :NH3+ -106:sc= 0.333 (180deg=-0.509) USER MOD Single : A 82 SER OG : rot 89:sc= 0.53 USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 84 PNS O33 : rot 180:sc=-0.00537 USER MOD Single : A 84 PNS S44 : rot 41:sc= -2.4! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.743 -8.602 -3.598 1.00 0.00 N ATOM 2 CA MET A 1 -7.486 -8.183 -4.238 1.00 0.00 C ATOM 3 C MET A 1 -6.343 -8.983 -3.596 1.00 0.00 C ATOM 4 O MET A 1 -6.049 -8.774 -2.428 1.00 0.00 O ATOM 5 CB MET A 1 -7.269 -6.641 -4.071 1.00 0.00 C ATOM 6 CG MET A 1 -6.801 -5.944 -5.347 1.00 0.00 C ATOM 7 SD MET A 1 -8.055 -6.052 -6.656 1.00 0.00 S ATOM 8 CE MET A 1 -7.256 -5.254 -8.044 1.00 0.00 C ATOM 0 H1 MET A 1 -9.537 -8.075 -4.014 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.887 -9.621 -3.749 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.695 -8.407 -2.578 1.00 0.00 H new ATOM 0 HA MET A 1 -7.518 -8.383 -5.309 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.203 -6.186 -3.741 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.535 -6.470 -3.284 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.584 -4.897 -5.134 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.872 -6.398 -5.692 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.011 -4.800 -8.687 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.578 -4.482 -7.679 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.692 -5.993 -8.613 1.00 0.00 H new ATOM 18 N GLN A 2 -5.694 -9.875 -4.370 1.00 0.00 N ATOM 19 CA GLN A 2 -4.774 -10.914 -3.840 1.00 0.00 C ATOM 20 C GLN A 2 -3.564 -10.322 -3.089 1.00 0.00 C ATOM 21 O GLN A 2 -3.114 -10.882 -2.073 1.00 0.00 O ATOM 22 CB GLN A 2 -4.275 -11.845 -4.986 1.00 0.00 C ATOM 23 CG GLN A 2 -3.594 -11.120 -6.182 1.00 0.00 C ATOM 24 CD GLN A 2 -2.516 -11.935 -6.898 1.00 0.00 C ATOM 25 OE1 GLN A 2 -2.347 -11.833 -8.110 1.00 0.00 O ATOM 26 NE2 GLN A 2 -1.716 -12.676 -6.142 1.00 0.00 N ATOM 0 H GLN A 2 -5.790 -9.899 -5.385 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.352 -11.493 -3.119 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -3.569 -12.562 -4.568 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -5.123 -12.416 -5.364 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.361 -10.844 -6.906 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.148 -10.193 -5.821 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -1.881 -12.742 -5.138 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -0.936 -13.179 -6.565 1.00 0.00 H new ATOM 35 N HIS A 3 -3.058 -9.181 -3.592 1.00 0.00 N ATOM 36 CA HIS A 3 -1.847 -8.543 -3.059 1.00 0.00 C ATOM 37 C HIS A 3 -2.093 -7.870 -1.704 1.00 0.00 C ATOM 38 O HIS A 3 -1.119 -7.517 -1.047 1.00 0.00 O ATOM 39 CB HIS A 3 -1.251 -7.520 -4.064 1.00 0.00 C ATOM 40 CG HIS A 3 -0.590 -8.109 -5.287 1.00 0.00 C ATOM 41 ND1 HIS A 3 -0.438 -9.455 -5.500 1.00 0.00 N ATOM 42 CD2 HIS A 3 -0.027 -7.502 -6.364 1.00 0.00 C ATOM 43 CE1 HIS A 3 0.174 -9.653 -6.645 1.00 0.00 C ATOM 44 NE2 HIS A 3 0.438 -8.484 -7.191 1.00 0.00 N ATOM 0 H HIS A 3 -3.477 -8.680 -4.375 1.00 0.00 H new ATOM 0 HA HIS A 3 -1.122 -9.343 -2.907 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -2.049 -6.853 -4.391 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -0.519 -6.907 -3.538 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.040 -6.438 -6.535 1.00 0.00 H new ATOM 0 HE1 HIS A 3 0.420 -10.615 -7.069 1.00 0.00 H new ATOM 0 HE2 HIS A 3 0.911 -8.337 -8.083 1.00 0.00 H new ATOM 53 N LEU A 4 -3.380 -7.721 -1.278 1.00 0.00 N ATOM 54 CA LEU A 4 -3.736 -7.117 0.042 1.00 0.00 C ATOM 55 C LEU A 4 -3.009 -7.841 1.191 1.00 0.00 C ATOM 56 O LEU A 4 -2.671 -7.228 2.200 1.00 0.00 O ATOM 57 CB LEU A 4 -5.297 -7.098 0.307 1.00 0.00 C ATOM 58 CG LEU A 4 -5.925 -8.251 1.200 1.00 0.00 C ATOM 59 CD1 LEU A 4 -7.356 -7.894 1.655 1.00 0.00 C ATOM 60 CD2 LEU A 4 -5.915 -9.636 0.500 1.00 0.00 C ATOM 0 H LEU A 4 -4.188 -8.010 -1.829 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.404 -6.079 0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.543 -6.145 0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.798 -7.117 -0.661 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.284 -8.330 2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.757 -8.704 2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.333 -6.976 2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.990 -7.750 0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.357 -10.381 1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.493 -9.581 -0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.888 -9.920 0.269 1.00 0.00 H new ATOM 72 N GLU A 5 -2.762 -9.154 0.977 1.00 0.00 N ATOM 73 CA GLU A 5 -2.108 -10.047 1.943 1.00 0.00 C ATOM 74 C GLU A 5 -0.657 -9.598 2.197 1.00 0.00 C ATOM 75 O GLU A 5 -0.252 -9.380 3.346 1.00 0.00 O ATOM 76 CB GLU A 5 -2.135 -11.507 1.406 1.00 0.00 C ATOM 77 CG GLU A 5 -1.543 -12.569 2.358 1.00 0.00 C ATOM 78 CD GLU A 5 -2.336 -12.731 3.667 1.00 0.00 C ATOM 79 OE1 GLU A 5 -3.316 -13.506 3.682 1.00 0.00 O ATOM 80 OE2 GLU A 5 -1.996 -12.079 4.685 1.00 0.00 O ATOM 0 H GLU A 5 -3.019 -9.625 0.109 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.649 -10.003 2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.168 -11.776 1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.587 -11.541 0.464 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.509 -13.529 1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -0.514 -12.298 2.597 1.00 0.00 H new ATOM 87 N ALA A 6 0.101 -9.444 1.095 1.00 0.00 N ATOM 88 CA ALA A 6 1.515 -9.041 1.141 1.00 0.00 C ATOM 89 C ALA A 6 1.666 -7.599 1.640 1.00 0.00 C ATOM 90 O ALA A 6 2.600 -7.297 2.379 1.00 0.00 O ATOM 91 CB ALA A 6 2.174 -9.222 -0.233 1.00 0.00 C ATOM 0 H ALA A 6 -0.251 -9.596 0.150 1.00 0.00 H new ATOM 0 HA ALA A 6 2.027 -9.689 1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.219 -8.918 -0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.115 -10.269 -0.530 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.656 -8.607 -0.969 1.00 0.00 H new ATOM 97 N VAL A 7 0.704 -6.732 1.267 1.00 0.00 N ATOM 98 CA VAL A 7 0.722 -5.320 1.655 1.00 0.00 C ATOM 99 C VAL A 7 0.550 -5.189 3.183 1.00 0.00 C ATOM 100 O VAL A 7 1.370 -4.555 3.841 1.00 0.00 O ATOM 101 CB VAL A 7 -0.396 -4.487 0.931 1.00 0.00 C ATOM 102 CG1 VAL A 7 -0.399 -3.033 1.444 1.00 0.00 C ATOM 103 CG2 VAL A 7 -0.247 -4.518 -0.609 1.00 0.00 C ATOM 0 H VAL A 7 -0.098 -6.994 0.693 1.00 0.00 H new ATOM 0 HA VAL A 7 1.687 -4.917 1.350 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.352 -4.953 1.170 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.179 -2.468 0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.590 -3.026 2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.570 -2.575 1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.043 -3.928 -1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.720 -4.100 -0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.313 -5.548 -0.960 1.00 0.00 H new ATOM 113 N ARG A 8 -0.503 -5.843 3.732 1.00 0.00 N ATOM 114 CA ARG A 8 -0.847 -5.757 5.174 1.00 0.00 C ATOM 115 C ARG A 8 0.216 -6.461 6.015 1.00 0.00 C ATOM 116 O ARG A 8 0.447 -6.090 7.168 1.00 0.00 O ATOM 117 CB ARG A 8 -2.251 -6.340 5.469 1.00 0.00 C ATOM 118 CG ARG A 8 -2.400 -7.860 5.252 1.00 0.00 C ATOM 119 CD ARG A 8 -3.852 -8.330 5.415 1.00 0.00 C ATOM 120 NE ARG A 8 -4.008 -9.775 5.211 1.00 0.00 N ATOM 121 CZ ARG A 8 -5.179 -10.428 5.266 1.00 0.00 C ATOM 122 NH1 ARG A 8 -6.302 -9.794 5.576 1.00 0.00 N ATOM 123 NH2 ARG A 8 -5.213 -11.725 5.048 1.00 0.00 N ATOM 0 H ARG A 8 -1.132 -6.439 3.195 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.872 -4.702 5.445 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.510 -6.112 6.503 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.977 -5.828 4.838 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.046 -8.119 4.254 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.766 -8.390 5.963 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.204 -8.068 6.413 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.484 -7.797 4.704 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.169 -10.320 5.014 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.284 -8.794 5.777 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.183 -10.306 5.613 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.352 -12.230 4.838 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.101 -12.226 5.089 1.00 0.00 H new ATOM 137 N ASN A 9 0.884 -7.452 5.396 1.00 0.00 N ATOM 138 CA ASN A 9 2.031 -8.141 5.987 1.00 0.00 C ATOM 139 C ASN A 9 3.160 -7.129 6.258 1.00 0.00 C ATOM 140 O ASN A 9 3.690 -7.063 7.372 1.00 0.00 O ATOM 141 CB ASN A 9 2.506 -9.259 5.026 1.00 0.00 C ATOM 142 CG ASN A 9 3.798 -9.971 5.442 1.00 0.00 C ATOM 143 OD1 ASN A 9 4.096 -10.139 6.624 1.00 0.00 O ATOM 144 ND2 ASN A 9 4.571 -10.384 4.454 1.00 0.00 N ATOM 0 H ASN A 9 0.637 -7.794 4.467 1.00 0.00 H new ATOM 0 HA ASN A 9 1.745 -8.595 6.936 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.713 -10.002 4.938 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.650 -8.828 4.035 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.449 -10.861 4.659 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.290 -10.226 3.486 1.00 0.00 H new ATOM 151 N ILE A 10 3.463 -6.319 5.224 1.00 0.00 N ATOM 152 CA ILE A 10 4.482 -5.254 5.286 1.00 0.00 C ATOM 153 C ILE A 10 4.092 -4.178 6.319 1.00 0.00 C ATOM 154 O ILE A 10 4.911 -3.795 7.138 1.00 0.00 O ATOM 155 CB ILE A 10 4.675 -4.571 3.882 1.00 0.00 C ATOM 156 CG1 ILE A 10 5.154 -5.603 2.823 1.00 0.00 C ATOM 157 CG2 ILE A 10 5.646 -3.363 3.947 1.00 0.00 C ATOM 158 CD1 ILE A 10 5.164 -5.071 1.404 1.00 0.00 C ATOM 0 H ILE A 10 3.004 -6.387 4.316 1.00 0.00 H new ATOM 0 HA ILE A 10 5.419 -5.722 5.588 1.00 0.00 H new ATOM 0 HB ILE A 10 3.701 -4.188 3.578 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.159 -5.935 3.083 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.508 -6.480 2.867 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.748 -2.924 2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.251 -2.616 4.636 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.622 -3.699 4.297 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.510 -5.851 0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.156 -4.766 1.123 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.833 -4.213 1.342 1.00 0.00 H new ATOM 170 N LEU A 11 2.830 -3.719 6.267 1.00 0.00 N ATOM 171 CA LEU A 11 2.314 -2.646 7.147 1.00 0.00 C ATOM 172 C LEU A 11 2.413 -3.051 8.627 1.00 0.00 C ATOM 173 O LEU A 11 2.803 -2.250 9.476 1.00 0.00 O ATOM 174 CB LEU A 11 0.842 -2.320 6.784 1.00 0.00 C ATOM 175 CG LEU A 11 0.583 -1.841 5.322 1.00 0.00 C ATOM 176 CD1 LEU A 11 -0.922 -1.853 5.002 1.00 0.00 C ATOM 177 CD2 LEU A 11 1.211 -0.451 5.056 1.00 0.00 C ATOM 0 H LEU A 11 2.134 -4.079 5.614 1.00 0.00 H new ATOM 0 HA LEU A 11 2.927 -1.757 6.994 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.239 -3.210 6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.484 -1.549 7.466 1.00 0.00 H new ATOM 0 HG LEU A 11 1.074 -2.545 4.649 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.079 -1.515 3.978 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.310 -2.866 5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.445 -1.187 5.688 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.009 -0.151 4.028 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.778 0.280 5.738 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.288 -0.502 5.215 1.00 0.00 H new ATOM 189 N GLY A 12 2.053 -4.309 8.911 1.00 0.00 N ATOM 190 CA GLY A 12 2.154 -4.871 10.249 1.00 0.00 C ATOM 191 C GLY A 12 3.568 -5.259 10.628 1.00 0.00 C ATOM 192 O GLY A 12 3.849 -5.457 11.810 1.00 0.00 O ATOM 0 H GLY A 12 1.685 -4.959 8.216 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.778 -4.146 10.970 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.513 -5.750 10.316 1.00 0.00 H new ATOM 196 N ASP A 13 4.449 -5.417 9.630 1.00 0.00 N ATOM 197 CA ASP A 13 5.880 -5.676 9.870 1.00 0.00 C ATOM 198 C ASP A 13 6.577 -4.375 10.299 1.00 0.00 C ATOM 199 O ASP A 13 7.369 -4.371 11.245 1.00 0.00 O ATOM 200 CB ASP A 13 6.533 -6.267 8.593 1.00 0.00 C ATOM 201 CG ASP A 13 8.028 -6.585 8.762 1.00 0.00 C ATOM 202 OD1 ASP A 13 8.358 -7.660 9.316 1.00 0.00 O ATOM 203 OD2 ASP A 13 8.881 -5.766 8.354 1.00 0.00 O ATOM 0 H ASP A 13 4.196 -5.370 8.643 1.00 0.00 H new ATOM 0 HA ASP A 13 5.990 -6.405 10.673 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.005 -7.178 8.312 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.410 -5.561 7.771 1.00 0.00 H new ATOM 208 N VAL A 14 6.246 -3.269 9.606 1.00 0.00 N ATOM 209 CA VAL A 14 6.846 -1.948 9.862 1.00 0.00 C ATOM 210 C VAL A 14 6.308 -1.408 11.190 1.00 0.00 C ATOM 211 O VAL A 14 7.049 -1.253 12.157 1.00 0.00 O ATOM 212 CB VAL A 14 6.522 -0.924 8.696 1.00 0.00 C ATOM 213 CG1 VAL A 14 7.103 0.483 8.985 1.00 0.00 C ATOM 214 CG2 VAL A 14 7.023 -1.460 7.334 1.00 0.00 C ATOM 0 H VAL A 14 5.556 -3.267 8.855 1.00 0.00 H new ATOM 0 HA VAL A 14 7.929 -2.063 9.909 1.00 0.00 H new ATOM 0 HB VAL A 14 5.438 -0.823 8.646 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.858 1.154 8.161 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.674 0.871 9.909 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.186 0.415 9.088 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.789 -0.739 6.551 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.102 -1.611 7.377 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.532 -2.408 7.113 1.00 0.00 H new ATOM 224 N LEU A 15 4.978 -1.241 11.235 1.00 0.00 N ATOM 225 CA LEU A 15 4.277 -0.550 12.331 1.00 0.00 C ATOM 226 C LEU A 15 4.026 -1.493 13.531 1.00 0.00 C ATOM 227 O LEU A 15 3.493 -1.058 14.558 1.00 0.00 O ATOM 228 CB LEU A 15 2.948 0.038 11.798 1.00 0.00 C ATOM 229 CG LEU A 15 3.044 0.931 10.518 1.00 0.00 C ATOM 230 CD1 LEU A 15 1.655 1.465 10.100 1.00 0.00 C ATOM 231 CD2 LEU A 15 4.060 2.077 10.710 1.00 0.00 C ATOM 0 H LEU A 15 4.352 -1.584 10.506 1.00 0.00 H new ATOM 0 HA LEU A 15 4.909 0.261 12.693 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.269 -0.789 11.587 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.493 0.629 12.593 1.00 0.00 H new ATOM 0 HG LEU A 15 3.409 0.305 9.704 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.756 2.082 9.207 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.991 0.627 9.888 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.237 2.063 10.909 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.104 2.680 9.803 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.749 2.702 11.547 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.045 1.659 10.916 1.00 0.00 H new ATOM 243 N ASN A 16 4.400 -2.784 13.368 1.00 0.00 N ATOM 244 CA ASN A 16 4.423 -3.800 14.446 1.00 0.00 C ATOM 245 C ASN A 16 2.995 -4.129 14.956 1.00 0.00 C ATOM 246 O ASN A 16 2.691 -3.995 16.142 1.00 0.00 O ATOM 247 CB ASN A 16 5.406 -3.370 15.586 1.00 0.00 C ATOM 248 CG ASN A 16 5.769 -4.500 16.564 1.00 0.00 C ATOM 249 OD1 ASN A 16 5.136 -4.682 17.602 1.00 0.00 O ATOM 250 ND2 ASN A 16 6.795 -5.267 16.229 1.00 0.00 N ATOM 0 H ASN A 16 4.700 -3.155 12.466 1.00 0.00 H new ATOM 0 HA ASN A 16 4.807 -4.734 14.035 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.321 -2.986 15.136 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.958 -2.549 16.146 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.079 -6.033 16.839 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.301 -5.091 15.361 1.00 0.00 H new ATOM 257 N LEU A 17 2.112 -4.541 14.022 1.00 0.00 N ATOM 258 CA LEU A 17 0.712 -4.943 14.330 1.00 0.00 C ATOM 259 C LEU A 17 0.647 -6.419 14.778 1.00 0.00 C ATOM 260 O LEU A 17 -0.249 -6.801 15.545 1.00 0.00 O ATOM 261 CB LEU A 17 -0.235 -4.703 13.103 1.00 0.00 C ATOM 262 CG LEU A 17 -0.727 -3.231 12.856 1.00 0.00 C ATOM 263 CD1 LEU A 17 0.432 -2.236 12.698 1.00 0.00 C ATOM 264 CD2 LEU A 17 -1.677 -3.156 11.637 1.00 0.00 C ATOM 0 H LEU A 17 2.344 -4.606 13.031 1.00 0.00 H new ATOM 0 HA LEU A 17 0.366 -4.316 15.152 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.282 -5.042 12.205 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.113 -5.337 13.224 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.279 -2.939 13.749 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.033 -1.236 12.530 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.038 -2.237 13.604 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.049 -2.528 11.848 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.001 -2.126 11.491 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.153 -3.502 10.746 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.547 -3.788 11.814 1.00 0.00 H new ATOM 276 N GLY A 18 1.594 -7.237 14.271 1.00 0.00 N ATOM 277 CA GLY A 18 1.699 -8.654 14.637 1.00 0.00 C ATOM 278 C GLY A 18 0.645 -9.510 13.957 1.00 0.00 C ATOM 279 O GLY A 18 0.789 -9.856 12.786 1.00 0.00 O ATOM 0 H GLY A 18 2.300 -6.930 13.601 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.689 -9.022 14.370 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.602 -8.755 15.718 1.00 0.00 H new ATOM 283 N GLU A 19 -0.428 -9.824 14.695 1.00 0.00 N ATOM 284 CA GLU A 19 -1.573 -10.618 14.190 1.00 0.00 C ATOM 285 C GLU A 19 -2.685 -9.686 13.670 1.00 0.00 C ATOM 286 O GLU A 19 -3.508 -10.088 12.831 1.00 0.00 O ATOM 287 CB GLU A 19 -2.138 -11.561 15.302 1.00 0.00 C ATOM 288 CG GLU A 19 -2.970 -10.881 16.428 1.00 0.00 C ATOM 289 CD GLU A 19 -2.148 -10.041 17.425 1.00 0.00 C ATOM 290 OE1 GLU A 19 -1.815 -8.877 17.113 1.00 0.00 O ATOM 291 OE2 GLU A 19 -1.830 -10.541 18.527 1.00 0.00 O ATOM 0 H GLU A 19 -0.534 -9.535 15.668 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.216 -11.237 13.367 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.762 -12.317 14.825 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.301 -12.084 15.764 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.721 -10.239 15.968 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.506 -11.653 16.981 1.00 0.00 H new ATOM 298 N ARG A 20 -2.677 -8.429 14.178 1.00 0.00 N ATOM 299 CA ARG A 20 -3.709 -7.412 13.876 1.00 0.00 C ATOM 300 C ARG A 20 -3.699 -7.064 12.369 1.00 0.00 C ATOM 301 O ARG A 20 -4.748 -6.763 11.785 1.00 0.00 O ATOM 302 CB ARG A 20 -3.506 -6.146 14.785 1.00 0.00 C ATOM 303 CG ARG A 20 -4.698 -5.134 14.836 1.00 0.00 C ATOM 304 CD ARG A 20 -4.744 -4.152 13.647 1.00 0.00 C ATOM 305 NE ARG A 20 -6.002 -3.402 13.578 1.00 0.00 N ATOM 306 CZ ARG A 20 -7.134 -3.833 13.004 1.00 0.00 C ATOM 307 NH1 ARG A 20 -7.202 -5.038 12.435 1.00 0.00 N ATOM 308 NH2 ARG A 20 -8.193 -3.042 12.988 1.00 0.00 N ATOM 0 H ARG A 20 -1.951 -8.093 14.811 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.695 -7.818 14.103 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.299 -6.483 15.801 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.620 -5.614 14.439 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.633 -5.693 14.868 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.636 -4.563 15.762 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.913 -3.452 13.728 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.605 -4.706 12.719 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.017 -2.475 14.002 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.384 -5.648 12.432 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.072 -5.350 12.003 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.143 -2.115 13.410 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.060 -3.359 12.554 1.00 0.00 H new ATOM 322 N LYS A 21 -2.509 -7.155 11.752 1.00 0.00 N ATOM 323 CA LYS A 21 -2.316 -6.866 10.323 1.00 0.00 C ATOM 324 C LYS A 21 -3.117 -7.837 9.428 1.00 0.00 C ATOM 325 O LYS A 21 -3.631 -7.441 8.396 1.00 0.00 O ATOM 326 CB LYS A 21 -0.815 -6.909 9.966 1.00 0.00 C ATOM 327 CG LYS A 21 -0.173 -8.295 10.077 1.00 0.00 C ATOM 328 CD LYS A 21 1.313 -8.308 9.690 1.00 0.00 C ATOM 329 CE LYS A 21 1.849 -9.727 9.559 1.00 0.00 C ATOM 330 NZ LYS A 21 3.305 -9.753 9.248 1.00 0.00 N ATOM 0 H LYS A 21 -1.653 -7.432 12.232 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.696 -5.862 10.134 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.687 -6.544 8.947 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.279 -6.221 10.621 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.278 -8.656 11.100 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.714 -8.991 9.436 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.448 -7.780 8.746 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.890 -7.769 10.442 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.668 -10.269 10.487 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.302 -10.249 8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.758 -10.528 9.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.439 -9.901 8.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.736 -8.848 9.526 1.00 0.00 H new ATOM 344 N HIS A 22 -3.261 -9.094 9.877 1.00 0.00 N ATOM 345 CA HIS A 22 -3.856 -10.175 9.066 1.00 0.00 C ATOM 346 C HIS A 22 -5.392 -10.233 9.246 1.00 0.00 C ATOM 347 O HIS A 22 -6.097 -10.814 8.413 1.00 0.00 O ATOM 348 CB HIS A 22 -3.177 -11.519 9.448 1.00 0.00 C ATOM 349 CG HIS A 22 -3.606 -12.716 8.629 1.00 0.00 C ATOM 350 ND1 HIS A 22 -3.134 -12.971 7.360 1.00 0.00 N ATOM 351 CD2 HIS A 22 -4.447 -13.739 8.919 1.00 0.00 C ATOM 352 CE1 HIS A 22 -3.669 -14.089 6.910 1.00 0.00 C ATOM 353 NE2 HIS A 22 -4.467 -14.578 7.833 1.00 0.00 N ATOM 0 H HIS A 22 -2.970 -9.392 10.808 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.679 -9.977 8.009 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.098 -11.402 9.352 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.383 -11.725 10.498 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -2.473 -12.386 6.848 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.000 -13.870 9.837 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -3.482 -14.530 5.942 1.00 0.00 H new ATOM 362 N THR A 23 -5.900 -9.618 10.335 1.00 0.00 N ATOM 363 CA THR A 23 -7.352 -9.598 10.651 1.00 0.00 C ATOM 364 C THR A 23 -8.025 -8.317 10.110 1.00 0.00 C ATOM 365 O THR A 23 -9.245 -8.136 10.254 1.00 0.00 O ATOM 366 CB THR A 23 -7.615 -9.755 12.195 1.00 0.00 C ATOM 367 OG1 THR A 23 -9.020 -9.945 12.458 1.00 0.00 O ATOM 368 CG2 THR A 23 -7.117 -8.552 13.004 1.00 0.00 C ATOM 0 H THR A 23 -5.325 -9.124 11.017 1.00 0.00 H new ATOM 0 HA THR A 23 -7.801 -10.456 10.150 1.00 0.00 H new ATOM 0 HB THR A 23 -7.052 -10.633 12.511 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.545 -9.547 11.733 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.324 -8.714 14.062 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.043 -8.435 12.858 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.629 -7.650 12.668 1.00 0.00 H new ATOM 376 N LEU A 24 -7.232 -7.424 9.486 1.00 0.00 N ATOM 377 CA LEU A 24 -7.770 -6.234 8.805 1.00 0.00 C ATOM 378 C LEU A 24 -7.861 -6.509 7.290 1.00 0.00 C ATOM 379 O LEU A 24 -7.045 -7.263 6.733 1.00 0.00 O ATOM 380 CB LEU A 24 -6.963 -4.945 9.182 1.00 0.00 C ATOM 381 CG LEU A 24 -5.437 -4.838 8.825 1.00 0.00 C ATOM 382 CD1 LEU A 24 -5.191 -4.546 7.330 1.00 0.00 C ATOM 383 CD2 LEU A 24 -4.736 -3.774 9.703 1.00 0.00 C ATOM 0 H LEU A 24 -6.216 -7.506 9.441 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.784 -6.032 9.150 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.465 -4.100 8.712 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.053 -4.810 10.260 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.003 -5.815 9.036 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.119 -4.483 7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.618 -5.348 6.728 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.662 -3.600 7.062 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.681 -3.720 9.436 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.202 -2.802 9.539 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.831 -4.049 10.753 1.00 0.00 H new ATOM 395 N THR A 25 -8.862 -5.899 6.630 1.00 0.00 N ATOM 396 CA THR A 25 -9.225 -6.208 5.231 1.00 0.00 C ATOM 397 C THR A 25 -9.054 -4.973 4.326 1.00 0.00 C ATOM 398 O THR A 25 -8.520 -3.952 4.750 1.00 0.00 O ATOM 399 CB THR A 25 -10.708 -6.724 5.153 1.00 0.00 C ATOM 400 OG1 THR A 25 -11.609 -5.700 5.624 1.00 0.00 O ATOM 401 CG2 THR A 25 -10.923 -8.011 5.968 1.00 0.00 C ATOM 0 H THR A 25 -9.445 -5.176 7.051 1.00 0.00 H new ATOM 0 HA THR A 25 -8.553 -6.990 4.877 1.00 0.00 H new ATOM 0 HB THR A 25 -10.915 -6.956 4.108 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.532 -6.027 5.571 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.963 -8.327 5.882 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.272 -8.797 5.585 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.687 -7.822 7.015 1.00 0.00 H new ATOM 409 N ALA A 26 -9.511 -5.083 3.068 1.00 0.00 N ATOM 410 CA ALA A 26 -9.450 -3.982 2.090 1.00 0.00 C ATOM 411 C ALA A 26 -10.293 -2.758 2.524 1.00 0.00 C ATOM 412 O ALA A 26 -10.024 -1.634 2.088 1.00 0.00 O ATOM 413 CB ALA A 26 -9.898 -4.485 0.713 1.00 0.00 C ATOM 0 H ALA A 26 -9.933 -5.936 2.700 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.414 -3.646 2.036 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.851 -3.667 -0.006 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.240 -5.292 0.389 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.922 -4.854 0.776 1.00 0.00 H new ATOM 419 N SER A 27 -11.303 -2.993 3.388 1.00 0.00 N ATOM 420 CA SER A 27 -12.216 -1.940 3.874 1.00 0.00 C ATOM 421 C SER A 27 -11.662 -1.239 5.140 1.00 0.00 C ATOM 422 O SER A 27 -12.128 -0.142 5.494 1.00 0.00 O ATOM 423 CB SER A 27 -13.618 -2.542 4.154 1.00 0.00 C ATOM 424 OG SER A 27 -14.566 -1.545 4.524 1.00 0.00 O ATOM 0 H SER A 27 -11.507 -3.918 3.767 1.00 0.00 H new ATOM 0 HA SER A 27 -12.300 -1.183 3.094 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.971 -3.065 3.265 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.542 -3.282 4.951 1.00 0.00 H new ATOM 0 HG SER A 27 -15.435 -1.966 4.690 1.00 0.00 H new ATOM 430 N SER A 28 -10.675 -1.864 5.823 1.00 0.00 N ATOM 431 CA SER A 28 -10.086 -1.302 7.060 1.00 0.00 C ATOM 432 C SER A 28 -9.104 -0.168 6.714 1.00 0.00 C ATOM 433 O SER A 28 -8.173 -0.358 5.912 1.00 0.00 O ATOM 434 CB SER A 28 -9.379 -2.393 7.888 1.00 0.00 C ATOM 435 OG SER A 28 -8.343 -3.008 7.157 1.00 0.00 O ATOM 0 H SER A 28 -10.271 -2.756 5.539 1.00 0.00 H new ATOM 0 HA SER A 28 -10.896 -0.896 7.666 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.972 -1.953 8.798 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.105 -3.146 8.195 1.00 0.00 H new ATOM 0 HG SER A 28 -8.520 -2.915 6.198 1.00 0.00 H new ATOM 441 N VAL A 29 -9.311 0.982 7.363 1.00 0.00 N ATOM 442 CA VAL A 29 -8.606 2.235 7.080 1.00 0.00 C ATOM 443 C VAL A 29 -7.229 2.227 7.774 1.00 0.00 C ATOM 444 O VAL A 29 -7.081 1.685 8.874 1.00 0.00 O ATOM 445 CB VAL A 29 -9.492 3.454 7.559 1.00 0.00 C ATOM 446 CG1 VAL A 29 -8.830 4.826 7.270 1.00 0.00 C ATOM 447 CG2 VAL A 29 -10.910 3.365 6.934 1.00 0.00 C ATOM 0 H VAL A 29 -9.991 1.069 8.119 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.438 2.336 6.008 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.582 3.385 8.643 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.483 5.626 7.620 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.873 4.885 7.789 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.668 4.933 6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.510 4.210 7.272 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -10.831 3.388 5.847 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -11.386 2.435 7.244 1.00 0.00 H new ATOM 457 N LEU A 30 -6.219 2.798 7.105 1.00 0.00 N ATOM 458 CA LEU A 30 -4.849 2.884 7.628 1.00 0.00 C ATOM 459 C LEU A 30 -4.571 4.294 8.155 1.00 0.00 C ATOM 460 O LEU A 30 -4.393 4.492 9.360 1.00 0.00 O ATOM 461 CB LEU A 30 -3.830 2.502 6.529 1.00 0.00 C ATOM 462 CG LEU A 30 -4.056 1.119 5.846 1.00 0.00 C ATOM 463 CD1 LEU A 30 -3.036 0.908 4.721 1.00 0.00 C ATOM 464 CD2 LEU A 30 -4.031 -0.053 6.869 1.00 0.00 C ATOM 0 H LEU A 30 -6.330 3.215 6.181 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.744 2.180 8.454 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.848 3.274 5.759 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.832 2.511 6.966 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.054 1.124 5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.206 -0.062 4.253 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.148 1.695 3.976 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.028 0.940 5.133 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.193 -0.996 6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.064 -0.078 7.371 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.819 0.092 7.608 1.00 0.00 H new ATOM 476 N LEU A 31 -4.522 5.263 7.222 1.00 0.00 N ATOM 477 CA LEU A 31 -4.206 6.669 7.516 1.00 0.00 C ATOM 478 C LEU A 31 -5.185 7.263 8.554 1.00 0.00 C ATOM 479 O LEU A 31 -6.398 7.327 8.312 1.00 0.00 O ATOM 480 CB LEU A 31 -4.183 7.484 6.182 1.00 0.00 C ATOM 481 CG LEU A 31 -3.208 8.709 6.113 1.00 0.00 C ATOM 482 CD1 LEU A 31 -3.007 9.177 4.658 1.00 0.00 C ATOM 483 CD2 LEU A 31 -3.673 9.885 7.007 1.00 0.00 C ATOM 0 H LEU A 31 -4.703 5.088 6.234 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.216 6.729 7.969 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.927 6.801 5.372 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.193 7.844 5.987 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.249 8.368 6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.326 10.028 4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.585 8.363 4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.967 9.472 4.235 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.963 10.708 6.923 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.658 10.221 6.683 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.725 9.555 8.044 1.00 0.00 H new ATOM 495 N GLY A 32 -4.637 7.633 9.734 1.00 0.00 N ATOM 496 CA GLY A 32 -5.413 8.245 10.821 1.00 0.00 C ATOM 497 C GLY A 32 -6.140 7.241 11.717 1.00 0.00 C ATOM 498 O GLY A 32 -6.492 7.563 12.858 1.00 0.00 O ATOM 0 H GLY A 32 -3.648 7.514 9.953 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.743 8.845 11.437 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.146 8.927 10.389 1.00 0.00 H new ATOM 502 N ASN A 33 -6.391 6.032 11.191 1.00 0.00 N ATOM 503 CA ASN A 33 -7.147 4.975 11.891 1.00 0.00 C ATOM 504 C ASN A 33 -6.203 4.086 12.711 1.00 0.00 C ATOM 505 O ASN A 33 -6.479 3.782 13.876 1.00 0.00 O ATOM 506 CB ASN A 33 -7.931 4.151 10.853 1.00 0.00 C ATOM 507 CG ASN A 33 -8.756 3.009 11.453 1.00 0.00 C ATOM 508 OD1 ASN A 33 -9.896 3.207 11.875 1.00 0.00 O ATOM 509 ND2 ASN A 33 -8.211 1.797 11.454 1.00 0.00 N ATOM 0 H ASN A 33 -6.074 5.756 10.262 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.850 5.428 12.589 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -8.598 4.817 10.305 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.229 3.736 10.129 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.739 1.001 11.811 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.265 1.663 11.098 1.00 0.00 H new ATOM 516 N ILE A 34 -5.099 3.656 12.083 1.00 0.00 N ATOM 517 CA ILE A 34 -4.022 2.936 12.778 1.00 0.00 C ATOM 518 C ILE A 34 -3.216 3.967 13.600 1.00 0.00 C ATOM 519 O ILE A 34 -2.703 4.933 13.017 1.00 0.00 O ATOM 520 CB ILE A 34 -3.061 2.173 11.780 1.00 0.00 C ATOM 521 CG1 ILE A 34 -3.873 1.248 10.803 1.00 0.00 C ATOM 522 CG2 ILE A 34 -1.972 1.369 12.536 1.00 0.00 C ATOM 523 CD1 ILE A 34 -4.754 0.197 11.474 1.00 0.00 C ATOM 0 H ILE A 34 -4.928 3.796 11.087 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.468 2.177 13.421 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.552 2.927 11.180 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.503 1.877 10.174 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.170 0.740 10.143 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.331 0.859 11.817 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.370 2.049 13.139 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.447 0.633 13.184 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.270 -0.386 10.711 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.134 -0.464 12.080 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.488 0.690 12.111 1.00 0.00 H new ATOM 535 N PRO A 35 -3.099 3.792 14.959 1.00 0.00 N ATOM 536 CA PRO A 35 -2.407 4.769 15.840 1.00 0.00 C ATOM 537 C PRO A 35 -0.878 4.816 15.618 1.00 0.00 C ATOM 538 O PRO A 35 -0.195 5.689 16.165 1.00 0.00 O ATOM 539 CB PRO A 35 -2.792 4.300 17.270 1.00 0.00 C ATOM 540 CG PRO A 35 -3.073 2.834 17.130 1.00 0.00 C ATOM 541 CD PRO A 35 -3.638 2.641 15.738 1.00 0.00 C ATOM 0 HA PRO A 35 -2.712 5.796 15.636 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.983 4.482 17.977 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.665 4.837 17.640 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.163 2.249 17.265 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -3.782 2.500 17.887 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.324 1.689 15.310 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.728 2.642 15.747 1.00 0.00 H new ATOM 549 N GLU A 36 -0.351 3.875 14.816 1.00 0.00 N ATOM 550 CA GLU A 36 1.060 3.872 14.402 1.00 0.00 C ATOM 551 C GLU A 36 1.249 4.651 13.094 1.00 0.00 C ATOM 552 O GLU A 36 2.323 5.211 12.866 1.00 0.00 O ATOM 553 CB GLU A 36 1.567 2.417 14.256 1.00 0.00 C ATOM 554 CG GLU A 36 1.762 1.674 15.590 1.00 0.00 C ATOM 555 CD GLU A 36 2.812 2.334 16.497 1.00 0.00 C ATOM 556 OE1 GLU A 36 4.008 2.327 16.130 1.00 0.00 O ATOM 557 OE2 GLU A 36 2.455 2.865 17.571 1.00 0.00 O ATOM 0 H GLU A 36 -0.891 3.097 14.438 1.00 0.00 H new ATOM 0 HA GLU A 36 1.649 4.370 15.172 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.859 1.858 13.643 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.515 2.428 13.718 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.809 1.631 16.118 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.061 0.646 15.386 1.00 0.00 H new ATOM 564 N LEU A 37 0.202 4.680 12.247 1.00 0.00 N ATOM 565 CA LEU A 37 0.251 5.375 10.952 1.00 0.00 C ATOM 566 C LEU A 37 0.170 6.899 11.204 1.00 0.00 C ATOM 567 O LEU A 37 -0.922 7.453 11.366 1.00 0.00 O ATOM 568 CB LEU A 37 -0.883 4.856 9.992 1.00 0.00 C ATOM 569 CG LEU A 37 -0.678 5.051 8.439 1.00 0.00 C ATOM 570 CD1 LEU A 37 -0.613 6.537 8.029 1.00 0.00 C ATOM 571 CD2 LEU A 37 0.562 4.278 7.932 1.00 0.00 C ATOM 0 H LEU A 37 -0.691 4.227 12.441 1.00 0.00 H new ATOM 0 HA LEU A 37 1.192 5.161 10.446 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.021 3.791 10.181 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.812 5.352 10.272 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.561 4.631 7.957 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.471 6.611 6.951 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.543 7.032 8.307 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.221 7.019 8.539 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.674 4.434 6.859 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.452 4.640 8.446 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.435 3.214 8.133 1.00 0.00 H new ATOM 583 N ASP A 38 1.350 7.529 11.282 1.00 0.00 N ATOM 584 CA ASP A 38 1.532 8.991 11.335 1.00 0.00 C ATOM 585 C ASP A 38 2.511 9.389 10.188 1.00 0.00 C ATOM 586 O ASP A 38 2.743 8.571 9.292 1.00 0.00 O ATOM 587 CB ASP A 38 2.059 9.374 12.760 1.00 0.00 C ATOM 588 CG ASP A 38 2.017 10.885 13.054 1.00 0.00 C ATOM 589 OD1 ASP A 38 0.917 11.473 13.029 1.00 0.00 O ATOM 590 OD2 ASP A 38 3.087 11.504 13.243 1.00 0.00 O ATOM 0 H ASP A 38 2.234 7.021 11.311 1.00 0.00 H new ATOM 0 HA ASP A 38 0.601 9.536 11.182 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.465 8.851 13.509 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.085 9.022 12.864 1.00 0.00 H new ATOM 595 N SER A 39 3.047 10.631 10.216 1.00 0.00 N ATOM 596 CA SER A 39 3.988 11.187 9.216 1.00 0.00 C ATOM 597 C SER A 39 5.092 10.198 8.747 1.00 0.00 C ATOM 598 O SER A 39 5.082 9.700 7.607 1.00 0.00 O ATOM 599 CB SER A 39 4.668 12.453 9.823 1.00 0.00 C ATOM 600 OG SER A 39 3.810 13.598 9.792 1.00 0.00 O ATOM 0 H SER A 39 2.830 11.295 10.959 1.00 0.00 H new ATOM 0 HA SER A 39 3.395 11.419 8.331 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.959 12.248 10.853 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.582 12.672 9.271 1.00 0.00 H new ATOM 605 N MET A 40 6.017 9.884 9.649 1.00 0.00 N ATOM 606 CA MET A 40 7.203 9.096 9.307 1.00 0.00 C ATOM 607 C MET A 40 6.837 7.639 9.023 1.00 0.00 C ATOM 608 O MET A 40 7.556 6.951 8.298 1.00 0.00 O ATOM 609 CB MET A 40 8.267 9.214 10.409 1.00 0.00 C ATOM 610 CG MET A 40 8.765 10.652 10.604 1.00 0.00 C ATOM 611 SD MET A 40 9.426 11.345 9.066 1.00 0.00 S ATOM 612 CE MET A 40 9.851 13.014 9.553 1.00 0.00 C ATOM 0 H MET A 40 5.970 10.164 10.629 1.00 0.00 H new ATOM 0 HA MET A 40 7.631 9.501 8.390 1.00 0.00 H new ATOM 0 HB2 MET A 40 7.853 8.847 11.348 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.112 8.572 10.161 1.00 0.00 H new ATOM 0 HG2 MET A 40 7.946 11.276 10.962 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.538 10.669 11.373 1.00 0.00 H new ATOM 0 HE1 MET A 40 10.268 13.547 8.699 1.00 0.00 H new ATOM 0 HE2 MET A 40 8.957 13.530 9.902 1.00 0.00 H new ATOM 0 HE3 MET A 40 10.588 12.982 10.356 1.00 0.00 H new ATOM 622 N ALA A 41 5.697 7.199 9.585 1.00 0.00 N ATOM 623 CA ALA A 41 5.113 5.890 9.284 1.00 0.00 C ATOM 624 C ALA A 41 4.761 5.763 7.798 1.00 0.00 C ATOM 625 O ALA A 41 5.017 4.708 7.221 1.00 0.00 O ATOM 626 CB ALA A 41 3.873 5.638 10.127 1.00 0.00 C ATOM 0 H ALA A 41 5.159 7.744 10.259 1.00 0.00 H new ATOM 0 HA ALA A 41 5.865 5.140 9.528 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.460 4.659 9.883 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.139 5.666 11.184 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.129 6.408 9.920 1.00 0.00 H new ATOM 632 N VAL A 42 4.184 6.841 7.184 1.00 0.00 N ATOM 633 CA VAL A 42 3.828 6.821 5.742 1.00 0.00 C ATOM 634 C VAL A 42 5.102 6.661 4.903 1.00 0.00 C ATOM 635 O VAL A 42 5.137 5.861 3.979 1.00 0.00 O ATOM 636 CB VAL A 42 2.983 8.068 5.210 1.00 0.00 C ATOM 637 CG1 VAL A 42 1.844 8.432 6.179 1.00 0.00 C ATOM 638 CG2 VAL A 42 3.841 9.318 4.842 1.00 0.00 C ATOM 0 H VAL A 42 3.962 7.715 7.660 1.00 0.00 H new ATOM 0 HA VAL A 42 3.159 5.968 5.630 1.00 0.00 H new ATOM 0 HB VAL A 42 2.544 7.735 4.269 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.290 9.284 5.786 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.172 7.581 6.287 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.262 8.689 7.152 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.188 10.117 4.490 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.387 9.657 5.723 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.548 9.055 4.056 1.00 0.00 H new ATOM 648 N VAL A 43 6.166 7.391 5.296 1.00 0.00 N ATOM 649 CA VAL A 43 7.448 7.404 4.541 1.00 0.00 C ATOM 650 C VAL A 43 8.092 5.996 4.549 1.00 0.00 C ATOM 651 O VAL A 43 8.521 5.461 3.499 1.00 0.00 O ATOM 652 CB VAL A 43 8.436 8.464 5.157 1.00 0.00 C ATOM 653 CG1 VAL A 43 9.703 8.672 4.288 1.00 0.00 C ATOM 654 CG2 VAL A 43 7.698 9.796 5.420 1.00 0.00 C ATOM 0 H VAL A 43 6.169 7.980 6.129 1.00 0.00 H new ATOM 0 HA VAL A 43 7.240 7.684 3.508 1.00 0.00 H new ATOM 0 HB VAL A 43 8.787 8.070 6.111 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.350 9.413 4.759 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.240 7.728 4.196 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.412 9.022 3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.393 10.519 5.846 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.301 10.183 4.482 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.878 9.626 6.118 1.00 0.00 H new ATOM 664 N ASN A 44 8.092 5.405 5.760 1.00 0.00 N ATOM 665 CA ASN A 44 8.602 4.048 6.031 1.00 0.00 C ATOM 666 C ASN A 44 7.889 2.974 5.195 1.00 0.00 C ATOM 667 O ASN A 44 8.548 2.124 4.590 1.00 0.00 O ATOM 668 CB ASN A 44 8.476 3.706 7.551 1.00 0.00 C ATOM 669 CG ASN A 44 9.667 4.178 8.391 1.00 0.00 C ATOM 670 OD1 ASN A 44 10.760 3.625 8.297 1.00 0.00 O ATOM 671 ND2 ASN A 44 9.457 5.150 9.262 1.00 0.00 N ATOM 0 H ASN A 44 7.730 5.868 6.594 1.00 0.00 H new ATOM 0 HA ASN A 44 9.653 4.045 5.742 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.565 4.160 7.942 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.369 2.627 7.664 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.212 5.457 9.876 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.540 5.593 9.320 1.00 0.00 H new ATOM 678 N VAL A 45 6.549 3.018 5.169 1.00 0.00 N ATOM 679 CA VAL A 45 5.739 1.992 4.493 1.00 0.00 C ATOM 680 C VAL A 45 5.756 2.159 2.963 1.00 0.00 C ATOM 681 O VAL A 45 5.560 1.180 2.256 1.00 0.00 O ATOM 682 CB VAL A 45 4.261 1.924 5.025 1.00 0.00 C ATOM 683 CG1 VAL A 45 4.210 1.437 6.495 1.00 0.00 C ATOM 684 CG2 VAL A 45 3.534 3.269 4.873 1.00 0.00 C ATOM 0 H VAL A 45 6.001 3.756 5.610 1.00 0.00 H new ATOM 0 HA VAL A 45 6.211 1.041 4.738 1.00 0.00 H new ATOM 0 HB VAL A 45 3.737 1.194 4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.174 1.402 6.831 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.648 0.441 6.564 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.773 2.125 7.126 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.516 3.177 5.253 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.065 4.035 5.438 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.505 3.550 3.820 1.00 0.00 H new ATOM 694 N ILE A 46 6.000 3.391 2.454 1.00 0.00 N ATOM 695 CA ILE A 46 6.216 3.606 0.998 1.00 0.00 C ATOM 696 C ILE A 46 7.479 2.833 0.588 1.00 0.00 C ATOM 697 O ILE A 46 7.420 1.926 -0.261 1.00 0.00 O ATOM 698 CB ILE A 46 6.374 5.131 0.605 1.00 0.00 C ATOM 699 CG1 ILE A 46 5.083 5.928 0.960 1.00 0.00 C ATOM 700 CG2 ILE A 46 6.706 5.297 -0.903 1.00 0.00 C ATOM 701 CD1 ILE A 46 5.203 7.445 0.883 1.00 0.00 C ATOM 0 H ILE A 46 6.052 4.240 3.017 1.00 0.00 H new ATOM 0 HA ILE A 46 5.332 3.247 0.471 1.00 0.00 H new ATOM 0 HB ILE A 46 7.207 5.533 1.182 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.285 5.610 0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.776 5.657 1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.808 6.356 -1.139 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.641 4.784 -1.128 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.903 4.868 -1.502 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.249 7.899 1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.973 7.785 1.576 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.474 7.738 -0.131 1.00 0.00 H new ATOM 713 N THR A 47 8.588 3.154 1.300 1.00 0.00 N ATOM 714 CA THR A 47 9.912 2.544 1.068 1.00 0.00 C ATOM 715 C THR A 47 9.829 1.005 1.154 1.00 0.00 C ATOM 716 O THR A 47 10.312 0.297 0.272 1.00 0.00 O ATOM 717 CB THR A 47 10.970 3.065 2.099 1.00 0.00 C ATOM 718 OG1 THR A 47 11.013 4.501 2.071 1.00 0.00 O ATOM 719 CG2 THR A 47 12.384 2.508 1.814 1.00 0.00 C ATOM 0 H THR A 47 8.585 3.844 2.051 1.00 0.00 H new ATOM 0 HA THR A 47 10.229 2.833 0.066 1.00 0.00 H new ATOM 0 HB THR A 47 10.663 2.715 3.084 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.229 4.861 2.537 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.084 2.896 2.554 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.364 1.420 1.869 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.702 2.815 0.818 1.00 0.00 H new ATOM 727 N ALA A 48 9.156 0.522 2.212 1.00 0.00 N ATOM 728 CA ALA A 48 9.007 -0.910 2.507 1.00 0.00 C ATOM 729 C ALA A 48 8.224 -1.641 1.396 1.00 0.00 C ATOM 730 O ALA A 48 8.660 -2.696 0.935 1.00 0.00 O ATOM 731 CB ALA A 48 8.343 -1.088 3.879 1.00 0.00 C ATOM 0 H ALA A 48 8.695 1.124 2.894 1.00 0.00 H new ATOM 0 HA ALA A 48 9.997 -1.364 2.538 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.234 -2.151 4.095 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.963 -0.623 4.646 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.360 -0.616 3.872 1.00 0.00 H new ATOM 737 N LEU A 49 7.090 -1.048 0.948 1.00 0.00 N ATOM 738 CA LEU A 49 6.275 -1.586 -0.181 1.00 0.00 C ATOM 739 C LEU A 49 7.171 -1.794 -1.434 1.00 0.00 C ATOM 740 O LEU A 49 7.113 -2.845 -2.096 1.00 0.00 O ATOM 741 CB LEU A 49 5.049 -0.635 -0.498 1.00 0.00 C ATOM 742 CG LEU A 49 3.646 -1.027 0.100 1.00 0.00 C ATOM 743 CD1 LEU A 49 3.127 -2.332 -0.520 1.00 0.00 C ATOM 744 CD2 LEU A 49 3.665 -1.130 1.637 1.00 0.00 C ATOM 0 H LEU A 49 6.713 -0.191 1.352 1.00 0.00 H new ATOM 0 HA LEU A 49 5.868 -2.554 0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.298 0.364 -0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.946 -0.570 -1.581 1.00 0.00 H new ATOM 0 HG LEU A 49 2.962 -0.219 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.157 -2.579 -0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.024 -2.207 -1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.831 -3.138 -0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.673 -1.403 1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.383 -1.891 1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.953 -0.169 2.063 1.00 0.00 H new ATOM 756 N GLU A 50 8.032 -0.791 -1.696 1.00 0.00 N ATOM 757 CA GLU A 50 9.008 -0.819 -2.810 1.00 0.00 C ATOM 758 C GLU A 50 10.023 -1.974 -2.671 1.00 0.00 C ATOM 759 O GLU A 50 10.279 -2.701 -3.642 1.00 0.00 O ATOM 760 CB GLU A 50 9.735 0.547 -2.911 1.00 0.00 C ATOM 761 CG GLU A 50 8.776 1.730 -3.126 1.00 0.00 C ATOM 762 CD GLU A 50 9.482 3.088 -3.227 1.00 0.00 C ATOM 763 OE1 GLU A 50 9.707 3.741 -2.186 1.00 0.00 O ATOM 764 OE2 GLU A 50 9.803 3.518 -4.354 1.00 0.00 O ATOM 0 H GLU A 50 8.072 0.064 -1.142 1.00 0.00 H new ATOM 0 HA GLU A 50 8.454 -0.999 -3.731 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.309 0.714 -1.999 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.448 0.512 -3.735 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.203 1.560 -4.037 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.063 1.762 -2.302 1.00 0.00 H new ATOM 771 N GLU A 51 10.562 -2.145 -1.449 1.00 0.00 N ATOM 772 CA GLU A 51 11.598 -3.156 -1.157 1.00 0.00 C ATOM 773 C GLU A 51 11.067 -4.589 -1.376 1.00 0.00 C ATOM 774 O GLU A 51 11.642 -5.360 -2.151 1.00 0.00 O ATOM 775 CB GLU A 51 12.126 -3.006 0.302 1.00 0.00 C ATOM 776 CG GLU A 51 12.790 -1.653 0.632 1.00 0.00 C ATOM 777 CD GLU A 51 13.928 -1.282 -0.338 1.00 0.00 C ATOM 778 OE1 GLU A 51 14.994 -1.939 -0.296 1.00 0.00 O ATOM 779 OE2 GLU A 51 13.763 -0.348 -1.150 1.00 0.00 O ATOM 0 H GLU A 51 10.293 -1.588 -0.638 1.00 0.00 H new ATOM 0 HA GLU A 51 12.421 -2.984 -1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.294 -3.159 0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.847 -3.801 0.492 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.033 -0.869 0.610 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.184 -1.687 1.648 1.00 0.00 H new ATOM 786 N TYR A 52 9.953 -4.922 -0.704 1.00 0.00 N ATOM 787 CA TYR A 52 9.385 -6.286 -0.707 1.00 0.00 C ATOM 788 C TYR A 52 8.801 -6.678 -2.081 1.00 0.00 C ATOM 789 O TYR A 52 8.988 -7.818 -2.526 1.00 0.00 O ATOM 790 CB TYR A 52 8.310 -6.435 0.395 1.00 0.00 C ATOM 791 CG TYR A 52 8.858 -6.356 1.830 1.00 0.00 C ATOM 792 CD1 TYR A 52 9.464 -7.455 2.432 1.00 0.00 C ATOM 793 CD2 TYR A 52 8.757 -5.187 2.586 1.00 0.00 C ATOM 794 CE1 TYR A 52 9.946 -7.386 3.724 1.00 0.00 C ATOM 795 CE2 TYR A 52 9.236 -5.114 3.872 1.00 0.00 C ATOM 796 CZ TYR A 52 9.828 -6.213 4.437 1.00 0.00 C ATOM 797 OH TYR A 52 10.308 -6.142 5.720 1.00 0.00 O ATOM 0 H TYR A 52 9.420 -4.257 -0.144 1.00 0.00 H new ATOM 0 HA TYR A 52 10.207 -6.970 -0.497 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.560 -5.656 0.262 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.803 -7.391 0.264 1.00 0.00 H new ATOM 0 HD1 TYR A 52 9.559 -8.378 1.879 1.00 0.00 H new ATOM 0 HD2 TYR A 52 8.290 -4.317 2.149 1.00 0.00 H new ATOM 0 HE1 TYR A 52 10.414 -8.249 4.174 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.146 -4.196 4.434 1.00 0.00 H new ATOM 0 HH TYR A 52 9.562 -6.013 6.342 1.00 0.00 H new ATOM 807 N PHE A 53 8.081 -5.746 -2.747 1.00 0.00 N ATOM 808 CA PHE A 53 7.477 -6.014 -4.077 1.00 0.00 C ATOM 809 C PHE A 53 8.489 -5.827 -5.236 1.00 0.00 C ATOM 810 O PHE A 53 8.179 -6.180 -6.388 1.00 0.00 O ATOM 811 CB PHE A 53 6.235 -5.129 -4.306 1.00 0.00 C ATOM 812 CG PHE A 53 4.952 -5.581 -3.590 1.00 0.00 C ATOM 813 CD1 PHE A 53 4.707 -5.266 -2.260 1.00 0.00 C ATOM 814 CD2 PHE A 53 3.974 -6.308 -4.276 1.00 0.00 C ATOM 815 CE1 PHE A 53 3.533 -5.664 -1.641 1.00 0.00 C ATOM 816 CE2 PHE A 53 2.804 -6.696 -3.658 1.00 0.00 C ATOM 817 CZ PHE A 53 2.583 -6.372 -2.340 1.00 0.00 C ATOM 0 H PHE A 53 7.904 -4.807 -2.390 1.00 0.00 H new ATOM 0 HA PHE A 53 7.173 -7.061 -4.076 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.470 -4.115 -3.984 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.035 -5.085 -5.377 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.441 -4.704 -1.701 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.138 -6.571 -5.311 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.363 -5.417 -0.604 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.061 -7.254 -4.209 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.666 -6.673 -1.855 1.00 0.00 H new ATOM 827 N ASP A 54 9.665 -5.234 -4.921 1.00 0.00 N ATOM 828 CA ASP A 54 10.803 -5.065 -5.859 1.00 0.00 C ATOM 829 C ASP A 54 10.456 -4.103 -7.005 1.00 0.00 C ATOM 830 O ASP A 54 10.902 -4.278 -8.150 1.00 0.00 O ATOM 831 CB ASP A 54 11.330 -6.437 -6.406 1.00 0.00 C ATOM 832 CG ASP A 54 11.927 -7.348 -5.322 1.00 0.00 C ATOM 833 OD1 ASP A 54 13.131 -7.212 -5.009 1.00 0.00 O ATOM 834 OD2 ASP A 54 11.200 -8.216 -4.784 1.00 0.00 O ATOM 0 H ASP A 54 9.854 -4.853 -3.994 1.00 0.00 H new ATOM 0 HA ASP A 54 11.615 -4.617 -5.286 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.510 -6.961 -6.897 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.088 -6.248 -7.166 1.00 0.00 H new ATOM 839 N PHE A 55 9.706 -3.048 -6.677 1.00 0.00 N ATOM 840 CA PHE A 55 9.342 -1.992 -7.639 1.00 0.00 C ATOM 841 C PHE A 55 9.760 -0.626 -7.089 1.00 0.00 C ATOM 842 O PHE A 55 10.492 -0.543 -6.096 1.00 0.00 O ATOM 843 CB PHE A 55 7.811 -2.061 -7.996 1.00 0.00 C ATOM 844 CG PHE A 55 6.781 -1.954 -6.841 1.00 0.00 C ATOM 845 CD1 PHE A 55 6.948 -1.096 -5.754 1.00 0.00 C ATOM 846 CD2 PHE A 55 5.610 -2.700 -6.880 1.00 0.00 C ATOM 847 CE1 PHE A 55 5.996 -0.985 -4.771 1.00 0.00 C ATOM 848 CE2 PHE A 55 4.652 -2.588 -5.886 1.00 0.00 C ATOM 849 CZ PHE A 55 4.854 -1.730 -4.829 1.00 0.00 C ATOM 0 H PHE A 55 9.332 -2.897 -5.740 1.00 0.00 H new ATOM 0 HA PHE A 55 9.881 -2.149 -8.573 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.599 -1.261 -8.706 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.633 -3.003 -8.514 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.849 -0.504 -5.684 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.443 -3.381 -7.702 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.152 -0.304 -3.947 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.746 -3.174 -5.940 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.112 -1.647 -4.049 1.00 0.00 H new ATOM 859 N SER A 56 9.290 0.440 -7.737 1.00 0.00 N ATOM 860 CA SER A 56 9.371 1.797 -7.189 1.00 0.00 C ATOM 861 C SER A 56 8.009 2.495 -7.351 1.00 0.00 C ATOM 862 O SER A 56 7.524 2.679 -8.479 1.00 0.00 O ATOM 863 CB SER A 56 10.501 2.585 -7.884 1.00 0.00 C ATOM 864 OG SER A 56 10.691 3.869 -7.305 1.00 0.00 O ATOM 0 H SER A 56 8.844 0.389 -8.653 1.00 0.00 H new ATOM 0 HA SER A 56 9.609 1.753 -6.126 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.430 2.018 -7.821 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.267 2.696 -8.943 1.00 0.00 H new ATOM 0 HG SER A 56 10.429 3.844 -6.361 1.00 0.00 H new ATOM 870 N VAL A 57 7.376 2.847 -6.211 1.00 0.00 N ATOM 871 CA VAL A 57 6.139 3.641 -6.198 1.00 0.00 C ATOM 872 C VAL A 57 6.496 5.068 -6.645 1.00 0.00 C ATOM 873 O VAL A 57 7.254 5.770 -5.961 1.00 0.00 O ATOM 874 CB VAL A 57 5.433 3.661 -4.778 1.00 0.00 C ATOM 875 CG1 VAL A 57 4.099 4.445 -4.818 1.00 0.00 C ATOM 876 CG2 VAL A 57 5.194 2.237 -4.241 1.00 0.00 C ATOM 0 H VAL A 57 7.709 2.588 -5.282 1.00 0.00 H new ATOM 0 HA VAL A 57 5.421 3.183 -6.879 1.00 0.00 H new ATOM 0 HB VAL A 57 6.113 4.173 -4.097 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.643 4.438 -3.828 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.291 5.474 -5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.423 3.976 -5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.709 2.292 -3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.555 1.689 -4.934 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.149 1.720 -4.142 1.00 0.00 H new ATOM 886 N ASP A 58 5.974 5.459 -7.814 1.00 0.00 N ATOM 887 CA ASP A 58 6.306 6.743 -8.473 1.00 0.00 C ATOM 888 C ASP A 58 5.705 7.932 -7.691 1.00 0.00 C ATOM 889 O ASP A 58 4.660 7.791 -7.073 1.00 0.00 O ATOM 890 CB ASP A 58 5.801 6.725 -9.940 1.00 0.00 C ATOM 891 CG ASP A 58 6.195 7.989 -10.724 1.00 0.00 C ATOM 892 OD1 ASP A 58 7.344 8.056 -11.204 1.00 0.00 O ATOM 893 OD2 ASP A 58 5.377 8.925 -10.841 1.00 0.00 O ATOM 0 H ASP A 58 5.305 4.895 -8.338 1.00 0.00 H new ATOM 0 HA ASP A 58 7.389 6.869 -8.480 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.204 5.848 -10.447 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.716 6.624 -9.944 1.00 0.00 H new ATOM 898 N ASP A 59 6.378 9.096 -7.725 1.00 0.00 N ATOM 899 CA ASP A 59 5.966 10.298 -6.961 1.00 0.00 C ATOM 900 C ASP A 59 4.520 10.747 -7.296 1.00 0.00 C ATOM 901 O ASP A 59 3.753 11.072 -6.393 1.00 0.00 O ATOM 902 CB ASP A 59 6.963 11.459 -7.214 1.00 0.00 C ATOM 903 CG ASP A 59 6.638 12.724 -6.396 1.00 0.00 C ATOM 904 OD1 ASP A 59 6.990 12.773 -5.195 1.00 0.00 O ATOM 905 OD2 ASP A 59 6.011 13.660 -6.937 1.00 0.00 O ATOM 0 H ASP A 59 7.222 9.235 -8.280 1.00 0.00 H new ATOM 0 HA ASP A 59 5.980 10.030 -5.905 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.971 11.124 -6.969 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.959 11.709 -8.275 1.00 0.00 H new ATOM 910 N ASP A 60 4.161 10.705 -8.592 1.00 0.00 N ATOM 911 CA ASP A 60 2.861 11.218 -9.101 1.00 0.00 C ATOM 912 C ASP A 60 1.661 10.389 -8.587 1.00 0.00 C ATOM 913 O ASP A 60 0.552 10.919 -8.448 1.00 0.00 O ATOM 914 CB ASP A 60 2.875 11.235 -10.653 1.00 0.00 C ATOM 915 CG ASP A 60 1.616 11.869 -11.284 1.00 0.00 C ATOM 916 OD1 ASP A 60 1.565 13.116 -11.400 1.00 0.00 O ATOM 917 OD2 ASP A 60 0.676 11.134 -11.669 1.00 0.00 O ATOM 0 H ASP A 60 4.759 10.316 -9.321 1.00 0.00 H new ATOM 0 HA ASP A 60 2.736 12.232 -8.722 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.754 11.782 -10.993 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.976 10.212 -11.017 1.00 0.00 H new ATOM 922 N GLU A 61 1.901 9.102 -8.284 1.00 0.00 N ATOM 923 CA GLU A 61 0.847 8.164 -7.830 1.00 0.00 C ATOM 924 C GLU A 61 0.808 8.074 -6.287 1.00 0.00 C ATOM 925 O GLU A 61 -0.073 7.418 -5.728 1.00 0.00 O ATOM 926 CB GLU A 61 1.053 6.756 -8.464 1.00 0.00 C ATOM 927 CG GLU A 61 2.401 6.103 -8.122 1.00 0.00 C ATOM 928 CD GLU A 61 2.600 4.693 -8.678 1.00 0.00 C ATOM 929 OE1 GLU A 61 2.447 4.493 -9.899 1.00 0.00 O ATOM 930 OE2 GLU A 61 2.979 3.791 -7.911 1.00 0.00 O ATOM 0 H GLU A 61 2.827 8.678 -8.345 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.115 8.551 -8.165 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.249 6.099 -8.132 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.968 6.842 -9.547 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.201 6.741 -8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.504 6.067 -7.038 1.00 0.00 H new ATOM 937 N ILE A 62 1.763 8.734 -5.601 1.00 0.00 N ATOM 938 CA ILE A 62 1.786 8.799 -4.125 1.00 0.00 C ATOM 939 C ILE A 62 0.859 9.936 -3.630 1.00 0.00 C ATOM 940 O ILE A 62 1.171 11.122 -3.794 1.00 0.00 O ATOM 941 CB ILE A 62 3.252 9.021 -3.572 1.00 0.00 C ATOM 942 CG1 ILE A 62 4.192 7.852 -3.977 1.00 0.00 C ATOM 943 CG2 ILE A 62 3.259 9.192 -2.039 1.00 0.00 C ATOM 944 CD1 ILE A 62 5.619 7.962 -3.461 1.00 0.00 C ATOM 0 H ILE A 62 2.532 9.232 -6.048 1.00 0.00 H new ATOM 0 HA ILE A 62 1.427 7.843 -3.745 1.00 0.00 H new ATOM 0 HB ILE A 62 3.625 9.941 -4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.762 6.918 -3.614 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.219 7.789 -5.065 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.282 9.342 -1.694 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.654 10.056 -1.767 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.846 8.298 -1.571 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.195 7.100 -3.797 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.075 8.875 -3.844 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.611 7.991 -2.371 1.00 0.00 H new ATOM 956 N SER A 63 -0.297 9.562 -3.064 1.00 0.00 N ATOM 957 CA SER A 63 -1.216 10.486 -2.379 1.00 0.00 C ATOM 958 C SER A 63 -1.551 9.937 -0.982 1.00 0.00 C ATOM 959 O SER A 63 -1.157 8.819 -0.623 1.00 0.00 O ATOM 960 CB SER A 63 -2.512 10.660 -3.218 1.00 0.00 C ATOM 961 OG SER A 63 -3.436 11.549 -2.603 1.00 0.00 O ATOM 0 H SER A 63 -0.626 8.596 -3.068 1.00 0.00 H new ATOM 0 HA SER A 63 -0.739 11.460 -2.271 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.254 11.035 -4.208 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.985 9.688 -3.359 1.00 0.00 H new ATOM 0 HG SER A 63 -4.235 11.630 -3.165 1.00 0.00 H new ATOM 967 N ALA A 64 -2.280 10.737 -0.195 1.00 0.00 N ATOM 968 CA ALA A 64 -2.880 10.288 1.071 1.00 0.00 C ATOM 969 C ALA A 64 -3.997 9.264 0.795 1.00 0.00 C ATOM 970 O ALA A 64 -4.208 8.330 1.575 1.00 0.00 O ATOM 971 CB ALA A 64 -3.405 11.492 1.856 1.00 0.00 C ATOM 0 H ALA A 64 -2.472 11.714 -0.416 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.120 9.796 1.677 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.848 11.151 2.792 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.582 12.173 2.071 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.160 12.010 1.265 1.00 0.00 H new ATOM 977 N GLN A 65 -4.665 9.434 -0.368 1.00 0.00 N ATOM 978 CA GLN A 65 -5.705 8.506 -0.860 1.00 0.00 C ATOM 979 C GLN A 65 -5.107 7.136 -1.227 1.00 0.00 C ATOM 980 O GLN A 65 -5.834 6.148 -1.322 1.00 0.00 O ATOM 981 CB GLN A 65 -6.452 9.107 -2.088 1.00 0.00 C ATOM 982 CG GLN A 65 -7.094 10.480 -1.842 1.00 0.00 C ATOM 983 CD GLN A 65 -8.046 10.490 -0.642 1.00 0.00 C ATOM 984 OE1 GLN A 65 -9.240 10.219 -0.774 1.00 0.00 O ATOM 985 NE2 GLN A 65 -7.518 10.802 0.538 1.00 0.00 N ATOM 0 H GLN A 65 -4.496 10.222 -0.993 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.420 8.362 -0.050 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.749 9.193 -2.917 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.229 8.409 -2.400 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.309 11.219 -1.682 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.640 10.784 -2.735 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.524 11.021 0.610 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.107 10.822 1.371 1.00 0.00 H new ATOM 994 N THR A 66 -3.778 7.089 -1.437 1.00 0.00 N ATOM 995 CA THR A 66 -3.065 5.840 -1.727 1.00 0.00 C ATOM 996 C THR A 66 -2.959 5.001 -0.442 1.00 0.00 C ATOM 997 O THR A 66 -3.094 3.781 -0.486 1.00 0.00 O ATOM 998 CB THR A 66 -1.644 6.145 -2.310 1.00 0.00 C ATOM 999 OG1 THR A 66 -1.776 7.029 -3.431 1.00 0.00 O ATOM 1000 CG2 THR A 66 -0.885 4.877 -2.745 1.00 0.00 C ATOM 0 H THR A 66 -3.176 7.912 -1.410 1.00 0.00 H new ATOM 0 HA THR A 66 -3.620 5.273 -2.475 1.00 0.00 H new ATOM 0 HB THR A 66 -1.061 6.607 -1.514 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.006 6.918 -4.027 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.092 5.155 -3.140 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.755 4.218 -1.886 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.454 4.359 -3.517 1.00 0.00 H new ATOM 1008 N PHE A 67 -2.753 5.684 0.712 1.00 0.00 N ATOM 1009 CA PHE A 67 -2.563 5.030 2.026 1.00 0.00 C ATOM 1010 C PHE A 67 -3.778 5.205 2.940 1.00 0.00 C ATOM 1011 O PHE A 67 -3.685 4.948 4.151 1.00 0.00 O ATOM 1012 CB PHE A 67 -1.260 5.560 2.694 1.00 0.00 C ATOM 1013 CG PHE A 67 0.006 5.040 2.015 1.00 0.00 C ATOM 1014 CD1 PHE A 67 0.494 5.631 0.850 1.00 0.00 C ATOM 1015 CD2 PHE A 67 0.680 3.929 2.521 1.00 0.00 C ATOM 1016 CE1 PHE A 67 1.615 5.135 0.217 1.00 0.00 C ATOM 1017 CE2 PHE A 67 1.799 3.429 1.882 1.00 0.00 C ATOM 1018 CZ PHE A 67 2.264 4.030 0.734 1.00 0.00 C ATOM 0 H PHE A 67 -2.714 6.702 0.755 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.461 3.958 1.861 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.260 6.650 2.667 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.250 5.267 3.744 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.013 6.490 0.437 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.323 3.454 3.423 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.984 5.609 -0.680 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.309 2.566 2.284 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.138 3.637 0.236 1.00 0.00 H new ATOM 1028 N GLU A 68 -4.925 5.606 2.352 1.00 0.00 N ATOM 1029 CA GLU A 68 -6.177 5.788 3.105 1.00 0.00 C ATOM 1030 C GLU A 68 -6.668 4.438 3.671 1.00 0.00 C ATOM 1031 O GLU A 68 -7.071 4.375 4.817 1.00 0.00 O ATOM 1032 CB GLU A 68 -7.281 6.469 2.238 1.00 0.00 C ATOM 1033 CG GLU A 68 -7.875 5.592 1.120 1.00 0.00 C ATOM 1034 CD GLU A 68 -9.051 6.243 0.374 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -10.046 6.622 1.037 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -9.015 6.317 -0.874 1.00 0.00 O ATOM 0 H GLU A 68 -5.006 5.809 1.356 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.968 6.457 3.940 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.090 6.788 2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.862 7.369 1.787 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.090 5.354 0.403 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.209 4.648 1.551 1.00 0.00 H new ATOM 1043 N THR A 69 -6.599 3.364 2.864 1.00 0.00 N ATOM 1044 CA THR A 69 -7.042 2.019 3.276 1.00 0.00 C ATOM 1045 C THR A 69 -6.171 0.935 2.614 1.00 0.00 C ATOM 1046 O THR A 69 -5.423 1.216 1.654 1.00 0.00 O ATOM 1047 CB THR A 69 -8.558 1.795 2.916 1.00 0.00 C ATOM 1048 OG1 THR A 69 -9.030 0.562 3.464 1.00 0.00 O ATOM 1049 CG2 THR A 69 -8.814 1.786 1.403 1.00 0.00 C ATOM 0 H THR A 69 -6.236 3.403 1.912 1.00 0.00 H new ATOM 0 HA THR A 69 -6.930 1.943 4.358 1.00 0.00 H new ATOM 0 HB THR A 69 -9.098 2.637 3.349 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.610 0.409 4.336 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.876 1.628 1.215 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.508 2.741 0.977 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.240 0.982 0.942 1.00 0.00 H new ATOM 1057 N LEU A 70 -6.282 -0.309 3.126 1.00 0.00 N ATOM 1058 CA LEU A 70 -5.541 -1.468 2.593 1.00 0.00 C ATOM 1059 C LEU A 70 -5.947 -1.749 1.133 1.00 0.00 C ATOM 1060 O LEU A 70 -5.107 -2.141 0.313 1.00 0.00 O ATOM 1061 CB LEU A 70 -5.786 -2.728 3.462 1.00 0.00 C ATOM 1062 CG LEU A 70 -5.035 -4.022 3.000 1.00 0.00 C ATOM 1063 CD1 LEU A 70 -3.510 -3.845 3.079 1.00 0.00 C ATOM 1064 CD2 LEU A 70 -5.498 -5.266 3.787 1.00 0.00 C ATOM 0 H LEU A 70 -6.885 -0.536 3.917 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.478 -1.227 2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.491 -2.504 4.487 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.856 -2.936 3.477 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.294 -4.187 1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.020 -4.762 2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.206 -3.020 2.434 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.222 -3.627 4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.953 -6.142 3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.302 -5.118 4.849 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.566 -5.417 3.632 1.00 0.00 H new ATOM 1076 N GLY A 71 -7.244 -1.524 0.828 1.00 0.00 N ATOM 1077 CA GLY A 71 -7.788 -1.721 -0.520 1.00 0.00 C ATOM 1078 C GLY A 71 -7.128 -0.824 -1.557 1.00 0.00 C ATOM 1079 O GLY A 71 -6.969 -1.219 -2.716 1.00 0.00 O ATOM 0 H GLY A 71 -7.933 -1.203 1.508 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.657 -2.763 -0.811 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.860 -1.526 -0.507 1.00 0.00 H new ATOM 1083 N SER A 72 -6.718 0.380 -1.112 1.00 0.00 N ATOM 1084 CA SER A 72 -6.026 1.354 -1.959 1.00 0.00 C ATOM 1085 C SER A 72 -4.626 0.846 -2.327 1.00 0.00 C ATOM 1086 O SER A 72 -4.307 0.764 -3.508 1.00 0.00 O ATOM 1087 CB SER A 72 -5.959 2.731 -1.263 1.00 0.00 C ATOM 1088 OG SER A 72 -7.261 3.232 -1.014 1.00 0.00 O ATOM 0 H SER A 72 -6.860 0.699 -0.154 1.00 0.00 H new ATOM 0 HA SER A 72 -6.592 1.476 -2.883 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.412 2.643 -0.324 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.407 3.433 -1.888 1.00 0.00 H new ATOM 0 HG SER A 72 -7.376 4.088 -1.477 1.00 0.00 H new ATOM 1094 N LEU A 73 -3.809 0.451 -1.316 1.00 0.00 N ATOM 1095 CA LEU A 73 -2.438 -0.067 -1.578 1.00 0.00 C ATOM 1096 C LEU A 73 -2.472 -1.337 -2.427 1.00 0.00 C ATOM 1097 O LEU A 73 -1.657 -1.489 -3.329 1.00 0.00 O ATOM 1098 CB LEU A 73 -1.640 -0.370 -0.286 1.00 0.00 C ATOM 1099 CG LEU A 73 -1.105 0.837 0.525 1.00 0.00 C ATOM 1100 CD1 LEU A 73 -0.407 1.853 -0.403 1.00 0.00 C ATOM 1101 CD2 LEU A 73 -2.212 1.469 1.375 1.00 0.00 C ATOM 0 H LEU A 73 -4.068 0.480 -0.330 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.932 0.735 -2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.277 -0.961 0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.790 -0.997 -0.555 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.350 0.479 1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.039 2.692 0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.430 1.370 -0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.118 2.216 -1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.806 2.313 1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.016 1.816 0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.603 0.728 2.072 1.00 0.00 H new ATOM 1113 N ALA A 74 -3.418 -2.236 -2.108 1.00 0.00 N ATOM 1114 CA ALA A 74 -3.630 -3.483 -2.852 1.00 0.00 C ATOM 1115 C ALA A 74 -3.889 -3.180 -4.333 1.00 0.00 C ATOM 1116 O ALA A 74 -3.239 -3.747 -5.196 1.00 0.00 O ATOM 1117 CB ALA A 74 -4.790 -4.286 -2.242 1.00 0.00 C ATOM 0 H ALA A 74 -4.058 -2.115 -1.323 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.728 -4.091 -2.780 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.932 -5.207 -2.807 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.559 -4.529 -1.205 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.703 -3.692 -2.281 1.00 0.00 H new ATOM 1123 N LEU A 75 -4.776 -2.203 -4.582 1.00 0.00 N ATOM 1124 CA LEU A 75 -5.162 -1.755 -5.940 1.00 0.00 C ATOM 1125 C LEU A 75 -3.918 -1.232 -6.719 1.00 0.00 C ATOM 1126 O LEU A 75 -3.642 -1.660 -7.858 1.00 0.00 O ATOM 1127 CB LEU A 75 -6.272 -0.643 -5.828 1.00 0.00 C ATOM 1128 CG LEU A 75 -7.504 -0.769 -6.777 1.00 0.00 C ATOM 1129 CD1 LEU A 75 -7.093 -0.722 -8.258 1.00 0.00 C ATOM 1130 CD2 LEU A 75 -8.319 -2.038 -6.454 1.00 0.00 C ATOM 0 H LEU A 75 -5.254 -1.692 -3.840 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.567 -2.600 -6.498 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.636 -0.631 -4.801 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.802 0.323 -6.011 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.145 0.094 -6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.980 -0.813 -8.885 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.596 0.225 -8.468 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.411 -1.545 -8.473 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.173 -2.104 -7.129 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.688 -2.918 -6.580 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.673 -1.991 -5.424 1.00 0.00 H new ATOM 1142 N PHE A 76 -3.158 -0.337 -6.052 1.00 0.00 N ATOM 1143 CA PHE A 76 -1.951 0.298 -6.612 1.00 0.00 C ATOM 1144 C PHE A 76 -0.886 -0.746 -6.985 1.00 0.00 C ATOM 1145 O PHE A 76 -0.409 -0.754 -8.114 1.00 0.00 O ATOM 1146 CB PHE A 76 -1.364 1.361 -5.624 1.00 0.00 C ATOM 1147 CG PHE A 76 -1.984 2.754 -5.775 1.00 0.00 C ATOM 1148 CD1 PHE A 76 -3.227 3.060 -5.227 1.00 0.00 C ATOM 1149 CD2 PHE A 76 -1.323 3.751 -6.494 1.00 0.00 C ATOM 1150 CE1 PHE A 76 -3.784 4.311 -5.384 1.00 0.00 C ATOM 1151 CE2 PHE A 76 -1.884 4.997 -6.655 1.00 0.00 C ATOM 1152 CZ PHE A 76 -3.114 5.279 -6.100 1.00 0.00 C ATOM 0 H PHE A 76 -3.369 -0.034 -5.101 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.248 0.811 -7.527 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.515 1.015 -4.601 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.288 1.434 -5.780 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.763 2.305 -4.670 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.357 3.542 -6.930 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.746 4.533 -4.946 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.360 5.756 -7.217 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.552 6.258 -6.226 1.00 0.00 H new ATOM 1162 N VAL A 77 -0.564 -1.656 -6.046 1.00 0.00 N ATOM 1163 CA VAL A 77 0.507 -2.654 -6.238 1.00 0.00 C ATOM 1164 C VAL A 77 0.127 -3.701 -7.310 1.00 0.00 C ATOM 1165 O VAL A 77 1.006 -4.230 -7.988 1.00 0.00 O ATOM 1166 CB VAL A 77 0.943 -3.352 -4.896 1.00 0.00 C ATOM 1167 CG1 VAL A 77 1.428 -2.310 -3.859 1.00 0.00 C ATOM 1168 CG2 VAL A 77 -0.181 -4.220 -4.315 1.00 0.00 C ATOM 0 H VAL A 77 -1.033 -1.721 -5.142 1.00 0.00 H new ATOM 0 HA VAL A 77 1.373 -2.099 -6.599 1.00 0.00 H new ATOM 0 HB VAL A 77 1.778 -4.012 -5.131 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.723 -2.820 -2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.282 -1.766 -4.262 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.621 -1.610 -3.642 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.159 -4.684 -3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.052 -3.598 -4.110 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.450 -4.995 -5.032 1.00 0.00 H new ATOM 1178 N GLU A 78 -1.189 -3.978 -7.477 1.00 0.00 N ATOM 1179 CA GLU A 78 -1.683 -4.801 -8.606 1.00 0.00 C ATOM 1180 C GLU A 78 -1.312 -4.128 -9.932 1.00 0.00 C ATOM 1181 O GLU A 78 -0.769 -4.770 -10.836 1.00 0.00 O ATOM 1182 CB GLU A 78 -3.221 -5.008 -8.546 1.00 0.00 C ATOM 1183 CG GLU A 78 -3.731 -5.779 -7.311 1.00 0.00 C ATOM 1184 CD GLU A 78 -3.502 -7.299 -7.271 1.00 0.00 C ATOM 1185 OE1 GLU A 78 -2.882 -7.879 -8.192 1.00 0.00 O ATOM 1186 OE2 GLU A 78 -3.961 -7.922 -6.286 1.00 0.00 O ATOM 0 H GLU A 78 -1.922 -3.646 -6.849 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.211 -5.781 -8.532 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.704 -4.031 -8.570 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.535 -5.541 -9.443 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.261 -5.346 -6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.802 -5.599 -7.222 1.00 0.00 H new ATOM 1193 N HIS A 79 -1.572 -2.805 -10.007 1.00 0.00 N ATOM 1194 CA HIS A 79 -1.258 -1.990 -11.204 1.00 0.00 C ATOM 1195 C HIS A 79 0.263 -1.920 -11.472 1.00 0.00 C ATOM 1196 O HIS A 79 0.683 -1.790 -12.621 1.00 0.00 O ATOM 1197 CB HIS A 79 -1.843 -0.559 -11.052 1.00 0.00 C ATOM 1198 CG HIS A 79 -3.347 -0.477 -11.073 1.00 0.00 C ATOM 1199 ND1 HIS A 79 -4.025 0.700 -11.301 1.00 0.00 N ATOM 1200 CD2 HIS A 79 -4.301 -1.428 -10.928 1.00 0.00 C ATOM 1201 CE1 HIS A 79 -5.322 0.468 -11.305 1.00 0.00 C ATOM 1202 NE2 HIS A 79 -5.515 -0.816 -11.083 1.00 0.00 N ATOM 0 H HIS A 79 -2.001 -2.275 -9.249 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.721 -2.478 -12.062 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.485 -0.135 -10.114 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.450 0.065 -11.855 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.134 -2.476 -10.727 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -6.095 1.205 -11.463 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.423 -1.279 -11.034 1.00 0.00 H new ATOM 1211 N LYS A 80 1.072 -2.012 -10.402 1.00 0.00 N ATOM 1212 CA LYS A 80 2.545 -1.945 -10.496 1.00 0.00 C ATOM 1213 C LYS A 80 3.135 -3.199 -11.162 1.00 0.00 C ATOM 1214 O LYS A 80 3.843 -3.104 -12.168 1.00 0.00 O ATOM 1215 CB LYS A 80 3.182 -1.754 -9.096 1.00 0.00 C ATOM 1216 CG LYS A 80 2.741 -0.485 -8.343 1.00 0.00 C ATOM 1217 CD LYS A 80 2.978 0.802 -9.146 1.00 0.00 C ATOM 1218 CE LYS A 80 4.468 1.136 -9.350 1.00 0.00 C ATOM 1219 NZ LYS A 80 4.637 2.380 -10.142 1.00 0.00 N ATOM 0 H LYS A 80 0.727 -2.134 -9.450 1.00 0.00 H new ATOM 0 HA LYS A 80 2.781 -1.083 -11.120 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.941 -2.623 -8.483 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.266 -1.733 -9.207 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.682 -0.564 -8.098 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.282 -0.423 -7.399 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.499 0.706 -10.120 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.495 1.634 -8.634 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.954 1.250 -8.381 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.962 0.308 -9.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.950 2.139 -11.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.730 2.887 -10.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.350 2.986 -9.688 1.00 0.00 H new ATOM 1233 N LEU A 81 2.831 -4.374 -10.590 1.00 0.00 N ATOM 1234 CA LEU A 81 3.365 -5.662 -11.085 1.00 0.00 C ATOM 1235 C LEU A 81 2.731 -6.057 -12.432 1.00 0.00 C ATOM 1236 O LEU A 81 3.230 -6.961 -13.113 1.00 0.00 O ATOM 1237 CB LEU A 81 3.211 -6.800 -10.025 1.00 0.00 C ATOM 1238 CG LEU A 81 4.146 -6.727 -8.767 1.00 0.00 C ATOM 1239 CD1 LEU A 81 5.627 -6.538 -9.166 1.00 0.00 C ATOM 1240 CD2 LEU A 81 3.696 -5.648 -7.766 1.00 0.00 C ATOM 0 H LEU A 81 2.216 -4.464 -9.781 1.00 0.00 H new ATOM 0 HA LEU A 81 4.433 -5.522 -11.254 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.177 -6.805 -9.680 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.385 -7.754 -10.523 1.00 0.00 H new ATOM 0 HG LEU A 81 4.059 -7.688 -8.260 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.243 -6.492 -8.268 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.948 -7.377 -9.783 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.737 -5.611 -9.729 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.375 -5.637 -6.913 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.709 -4.673 -8.252 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.685 -5.869 -7.422 1.00 0.00 H new ATOM 1252 N SER A 82 1.631 -5.389 -12.812 1.00 0.00 N ATOM 1253 CA SER A 82 1.054 -5.531 -14.149 1.00 0.00 C ATOM 1254 C SER A 82 1.786 -4.620 -15.156 1.00 0.00 C ATOM 1255 O SER A 82 2.165 -5.074 -16.243 1.00 0.00 O ATOM 1256 CB SER A 82 -0.446 -5.216 -14.111 1.00 0.00 C ATOM 1257 OG SER A 82 -1.146 -6.191 -13.359 1.00 0.00 O ATOM 0 H SER A 82 1.125 -4.743 -12.206 1.00 0.00 H new ATOM 0 HA SER A 82 1.180 -6.562 -14.479 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.604 -4.230 -13.673 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.841 -5.181 -15.126 1.00 0.00 H new ATOM 0 HG SER A 82 -1.173 -5.921 -12.417 1.00 0.00 H new ATOM 1263 N HIS A 83 1.986 -3.335 -14.782 1.00 0.00 N ATOM 1264 CA HIS A 83 2.642 -2.327 -15.648 1.00 0.00 C ATOM 1265 C HIS A 83 4.149 -2.227 -15.287 1.00 0.00 C ATOM 1266 O HIS A 83 4.939 -3.059 -15.787 1.00 0.00 O ATOM 1267 CB HIS A 83 1.918 -0.944 -15.529 1.00 0.00 C ATOM 1268 CG HIS A 83 0.505 -0.943 -16.058 1.00 0.00 C ATOM 1269 ND1 HIS A 83 0.159 -0.404 -17.283 1.00 0.00 N ATOM 1270 CD2 HIS A 83 -0.647 -1.409 -15.528 1.00 0.00 C ATOM 1271 CE1 HIS A 83 -1.133 -0.542 -17.476 1.00 0.00 C ATOM 1272 NE2 HIS A 83 -1.646 -1.152 -16.430 1.00 0.00 N ATOM 1273 OXT HIS A 83 4.542 -1.330 -14.506 1.00 0.00 O ATOM 0 H HIS A 83 1.698 -2.968 -13.875 1.00 0.00 H new ATOM 0 HA HIS A 83 2.566 -2.639 -16.690 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.903 -0.642 -14.482 1.00 0.00 H new ATOM 0 HB3 HIS A 83 2.497 -0.195 -16.068 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.760 -1.895 -14.570 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -1.681 -0.211 -18.346 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -2.629 -1.395 -16.310 1.00 0.00 H new TER 1282 HIS A 83 HETATM 1283 P24 PNS A 84 4.382 15.130 9.816 1.00 0.00 P HETATM 1284 O25 PNS A 84 5.367 15.192 10.914 1.00 0.00 O HETATM 1285 O26 PNS A 84 3.208 16.029 9.925 1.00 0.00 O HETATM 1286 O27 PNS A 84 5.124 15.397 8.389 1.00 0.00 O HETATM 1287 C28 PNS A 84 6.365 14.788 7.980 1.00 0.00 C HETATM 1288 C29 PNS A 84 6.270 14.260 6.512 1.00 0.00 C HETATM 1289 C30 PNS A 84 5.051 13.283 6.408 1.00 0.00 C HETATM 1290 C31 PNS A 84 7.570 13.460 6.171 1.00 0.00 C HETATM 1291 C32 PNS A 84 6.076 15.488 5.503 1.00 0.00 C HETATM 1292 O33 PNS A 84 7.345 16.073 5.158 1.00 0.00 O HETATM 1293 C34 PNS A 84 5.361 15.044 4.218 1.00 0.00 C HETATM 1294 O35 PNS A 84 4.246 15.512 3.948 1.00 0.00 O HETATM 1295 N36 PNS A 84 6.020 14.177 3.429 1.00 0.00 N HETATM 1296 C37 PNS A 84 5.446 13.631 2.185 1.00 0.00 C HETATM 1297 C38 PNS A 84 4.248 12.728 2.553 1.00 0.00 C HETATM 1298 C39 PNS A 84 3.746 11.768 1.490 1.00 0.00 C HETATM 1299 O40 PNS A 84 4.166 11.790 0.322 1.00 0.00 O HETATM 1300 N41 PNS A 84 2.807 10.918 1.936 1.00 0.00 N HETATM 1301 C42 PNS A 84 2.176 9.898 1.105 1.00 0.00 C HETATM 1302 C43 PNS A 84 1.277 8.994 1.921 1.00 0.00 C HETATM 1303 S44 PNS A 84 0.031 9.915 2.851 1.00 0.00 S HETATM 0 H432 PNS A 84 0.781 8.286 1.258 1.00 0.00 H new HETATM 0 H431 PNS A 84 1.885 8.411 2.613 1.00 0.00 H new HETATM 0 H422 PNS A 84 2.944 9.301 0.614 1.00 0.00 H new HETATM 0 H421 PNS A 84 1.594 10.378 0.318 1.00 0.00 H new HETATM 0 H382 PNS A 84 3.418 13.371 2.845 1.00 0.00 H new HETATM 0 H381 PNS A 84 4.523 12.144 3.431 1.00 0.00 H new HETATM 0 H372 PNS A 84 6.197 13.060 1.640 1.00 0.00 H new HETATM 0 H371 PNS A 84 5.123 14.440 1.530 1.00 0.00 H new HETATM 0 H313 PNS A 84 7.511 13.088 5.148 1.00 0.00 H new HETATM 0 H312 PNS A 84 7.670 12.619 6.857 1.00 0.00 H new HETATM 0 H311 PNS A 84 8.436 14.114 6.270 1.00 0.00 H new HETATM 0 H303 PNS A 84 4.972 12.906 5.388 1.00 0.00 H new HETATM 0 H302 PNS A 84 4.136 13.814 6.670 1.00 0.00 H new HETATM 0 H301 PNS A 84 5.195 12.448 7.093 1.00 0.00 H new HETATM 0 H282 PNS A 84 6.610 13.965 8.652 1.00 0.00 H new HETATM 0 H281 PNS A 84 7.174 15.514 8.058 1.00 0.00 H new HETATM 0 H44 PNS A 84 -0.443 10.873 2.111 1.00 0.00 H new HETATM 0 H41 PNS A 84 2.518 10.989 2.912 1.00 0.00 H new HETATM 0 H36 PNS A 84 6.958 13.884 3.703 1.00 0.00 H new HETATM 0 H33 PNS A 84 7.204 16.820 4.540 1.00 0.00 H new HETATM 0 H32 PNS A 84 5.462 16.230 6.013 1.00 0.00 H new