USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET CE :methyl -166:sc= -0.382 (180deg=-0.827) USER MOD Set 1.2: A 4 HIS : no HE2:sc= 1.48 K(o=1.8,f=-7.2!) USER MOD Set 1.3: A 6 TYR OH : rot 180:sc= 0 USER MOD Set 1.4: A -1 GLN : amide:sc= -0.0048 K(o=1.8,f=0.093) USER MOD Set 1.5: A 16 SER OG : rot 85:sc= 0.751 USER MOD Single : A 0 SER OG : rot 57:sc= 0.00599 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A -1 GLN N :NH3+ 145:sc=-0.00674 (180deg=-0.162) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 140:sc= 0.0641 USER MOD Single : A 21 MET CE :methyl 162:sc= -0.136 (180deg=-0.591) USER MOD Single : A 23 SER OG : rot 7:sc= 0.938 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc= -0.0313 F(o=-2.5!,f=-0.031) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 34 ASN : amide:sc= -0.543 K(o=-0.54,f=-6.4!) USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -130:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -175:sc= -1.02 (180deg=-1.1) USER MOD Single : A 46 ASN : amide:sc= -0.0162 K(o=-0.016,f=-1.6!) USER MOD Single : A 50 HIS : no HD1:sc= -0.386 K(o=-0.39,f=-1.2) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 59 GLN :FLIP amide:sc= -1.49 F(o=-2.1,f=-1.5) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 67 HIS : no HD1:sc= -0.345 K(o=-0.34,f=-1.5) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HE2:sc= 0.0316 K(o=0.032,f=-0.72) USER MOD Single : A 73 THR OG1 : rot -25:sc= 0.698 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A -1 -11.763 9.841 3.751 1.00 0.00 N ATOM 2 CA GLN A -1 -10.703 9.736 2.727 1.00 0.00 C ATOM 3 C GLN A -1 -11.145 8.803 1.608 1.00 0.00 C ATOM 4 O GLN A -1 -11.794 7.785 1.855 1.00 0.00 O ATOM 5 CB GLN A -1 -9.391 9.249 3.358 1.00 0.00 C ATOM 6 CG GLN A -1 -9.484 7.894 4.045 1.00 0.00 C ATOM 7 CD GLN A -1 -8.192 7.507 4.738 1.00 0.00 C ATOM 8 OE1 GLN A -1 -7.103 7.912 4.324 1.00 0.00 O ATOM 9 NE2 GLN A -1 -8.297 6.713 5.792 1.00 0.00 N ATOM 0 H1 GLN A -1 -11.329 9.933 4.692 1.00 0.00 H new ATOM 0 H2 GLN A -1 -12.351 10.677 3.558 1.00 0.00 H new ATOM 0 H3 GLN A -1 -12.356 8.987 3.725 1.00 0.00 H new ATOM 0 HA GLN A -1 -10.527 10.724 2.302 1.00 0.00 H new ATOM 0 HB2 GLN A -1 -8.627 9.197 2.582 1.00 0.00 H new ATOM 0 HB3 GLN A -1 -9.056 9.989 4.085 1.00 0.00 H new ATOM 0 HG2 GLN A -1 -10.293 7.915 4.776 1.00 0.00 H new ATOM 0 HG3 GLN A -1 -9.740 7.133 3.308 1.00 0.00 H new ATOM 0 HE21 GLN A -1 -9.216 6.399 6.104 1.00 0.00 H new ATOM 0 HE22 GLN A -1 -7.459 6.415 6.292 1.00 0.00 H new ATOM 20 N SER A 0 -10.800 9.158 0.381 1.00 0.00 N ATOM 21 CA SER A 0 -11.219 8.399 -0.784 1.00 0.00 C ATOM 22 C SER A 0 -10.010 7.985 -1.621 1.00 0.00 C ATOM 23 O SER A 0 -9.725 8.571 -2.670 1.00 0.00 O ATOM 24 CB SER A 0 -12.205 9.229 -1.609 1.00 0.00 C ATOM 25 OG SER A 0 -11.751 10.567 -1.743 1.00 0.00 O ATOM 0 H SER A 0 -10.226 9.974 0.166 1.00 0.00 H new ATOM 0 HA SER A 0 -11.719 7.487 -0.457 1.00 0.00 H new ATOM 0 HB2 SER A 0 -12.327 8.782 -2.595 1.00 0.00 H new ATOM 0 HB3 SER A 0 -13.184 9.219 -1.131 1.00 0.00 H new ATOM 0 HG SER A 0 -10.859 10.571 -2.148 1.00 0.00 H new ATOM 31 N MET A 1 -9.303 6.974 -1.140 1.00 0.00 N ATOM 32 CA MET A 1 -8.104 6.479 -1.801 1.00 0.00 C ATOM 33 C MET A 1 -8.460 5.338 -2.741 1.00 0.00 C ATOM 34 O MET A 1 -9.471 4.668 -2.554 1.00 0.00 O ATOM 35 CB MET A 1 -7.101 5.996 -0.753 1.00 0.00 C ATOM 36 CG MET A 1 -6.709 7.070 0.246 1.00 0.00 C ATOM 37 SD MET A 1 -5.660 6.443 1.571 1.00 0.00 S ATOM 38 CE MET A 1 -6.791 5.309 2.371 1.00 0.00 C ATOM 0 H MET A 1 -9.543 6.475 -0.283 1.00 0.00 H new ATOM 0 HA MET A 1 -7.657 7.287 -2.381 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.527 5.149 -0.216 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.205 5.635 -1.258 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.187 7.872 -0.276 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.611 7.505 0.678 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.393 5.025 3.345 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.759 5.792 2.501 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.910 4.418 1.754 1.00 0.00 H new ATOM 48 N ALA A 2 -7.625 5.119 -3.746 1.00 0.00 N ATOM 49 CA ALA A 2 -7.881 4.087 -4.737 1.00 0.00 C ATOM 50 C ALA A 2 -6.913 2.926 -4.574 1.00 0.00 C ATOM 51 O ALA A 2 -7.320 1.778 -4.397 1.00 0.00 O ATOM 52 CB ALA A 2 -7.797 4.671 -6.140 1.00 0.00 C ATOM 0 H ALA A 2 -6.763 5.644 -3.896 1.00 0.00 H new ATOM 0 HA ALA A 2 -8.890 3.703 -4.583 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -7.991 3.887 -6.872 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -8.539 5.462 -6.250 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -6.801 5.083 -6.304 1.00 0.00 H new ATOM 58 N LEU A 3 -5.637 3.240 -4.633 1.00 0.00 N ATOM 59 CA LEU A 3 -4.585 2.245 -4.467 1.00 0.00 C ATOM 60 C LEU A 3 -3.894 2.468 -3.137 1.00 0.00 C ATOM 61 O LEU A 3 -3.965 3.556 -2.566 1.00 0.00 O ATOM 62 CB LEU A 3 -3.507 2.294 -5.569 1.00 0.00 C ATOM 63 CG LEU A 3 -3.961 2.228 -7.025 1.00 0.00 C ATOM 64 CD1 LEU A 3 -4.628 3.516 -7.412 1.00 0.00 C ATOM 65 CD2 LEU A 3 -2.775 1.952 -7.938 1.00 0.00 C ATOM 0 H LEU A 3 -5.294 4.187 -4.796 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.074 1.272 -4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.939 3.215 -5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.817 1.467 -5.397 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.677 1.413 -7.134 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.949 3.461 -8.452 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.495 3.683 -6.773 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.925 4.340 -7.292 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.115 1.908 -8.973 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.040 2.750 -7.831 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.319 1.000 -7.665 1.00 0.00 H new ATOM 77 N HIS A 4 -3.254 1.436 -2.638 1.00 0.00 N ATOM 78 CA HIS A 4 -2.430 1.572 -1.453 1.00 0.00 C ATOM 79 C HIS A 4 -1.021 1.123 -1.741 1.00 0.00 C ATOM 80 O HIS A 4 -0.772 -0.027 -2.102 1.00 0.00 O ATOM 81 CB HIS A 4 -2.966 0.762 -0.288 1.00 0.00 C ATOM 82 CG HIS A 4 -3.787 1.544 0.694 1.00 0.00 C ATOM 83 ND1 HIS A 4 -5.081 1.216 1.041 1.00 0.00 N ATOM 84 CD2 HIS A 4 -3.465 2.620 1.448 1.00 0.00 C ATOM 85 CE1 HIS A 4 -5.512 2.052 1.966 1.00 0.00 C ATOM 86 NE2 HIS A 4 -4.552 2.914 2.231 1.00 0.00 N ATOM 0 H HIS A 4 -3.286 0.495 -3.030 1.00 0.00 H new ATOM 0 HA HIS A 4 -2.445 2.627 -1.179 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -3.573 -0.054 -0.679 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.126 0.310 0.240 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -5.621 0.447 0.644 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -2.524 3.150 1.436 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -6.488 2.033 2.428 1.00 0.00 H new ATOM 95 N TYR A 5 -0.116 2.034 -1.526 1.00 0.00 N ATOM 96 CA TYR A 5 1.300 1.789 -1.725 1.00 0.00 C ATOM 97 C TYR A 5 1.949 1.467 -0.390 1.00 0.00 C ATOM 98 O TYR A 5 1.921 2.288 0.529 1.00 0.00 O ATOM 99 CB TYR A 5 2.001 3.014 -2.317 1.00 0.00 C ATOM 100 CG TYR A 5 1.838 3.251 -3.804 1.00 0.00 C ATOM 101 CD1 TYR A 5 2.963 3.337 -4.602 1.00 0.00 C ATOM 102 CD2 TYR A 5 0.594 3.426 -4.405 1.00 0.00 C ATOM 103 CE1 TYR A 5 2.873 3.591 -5.947 1.00 0.00 C ATOM 104 CE2 TYR A 5 0.489 3.675 -5.764 1.00 0.00 C ATOM 105 CZ TYR A 5 1.636 3.759 -6.531 1.00 0.00 C ATOM 106 OH TYR A 5 1.545 4.018 -7.885 1.00 0.00 O ATOM 0 H TYR A 5 -0.332 2.978 -1.205 1.00 0.00 H new ATOM 0 HA TYR A 5 1.400 0.954 -2.419 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.638 3.898 -1.792 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.066 2.931 -2.103 1.00 0.00 H new ATOM 0 HD1 TYR A 5 3.937 3.201 -4.156 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.301 3.367 -3.804 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.769 3.659 -6.546 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.481 3.802 -6.220 1.00 0.00 H new ATOM 0 HH TYR A 5 0.603 4.109 -8.138 1.00 0.00 H new ATOM 116 N TYR A 6 2.523 0.288 -0.279 1.00 0.00 N ATOM 117 CA TYR A 6 3.262 -0.088 0.916 1.00 0.00 C ATOM 118 C TYR A 6 4.653 -0.546 0.505 1.00 0.00 C ATOM 119 O TYR A 6 4.810 -1.182 -0.536 1.00 0.00 O ATOM 120 CB TYR A 6 2.529 -1.193 1.681 1.00 0.00 C ATOM 121 CG TYR A 6 1.156 -0.795 2.193 1.00 0.00 C ATOM 122 CD1 TYR A 6 -0.001 -1.229 1.552 1.00 0.00 C ATOM 123 CD2 TYR A 6 1.015 0.000 3.326 1.00 0.00 C ATOM 124 CE1 TYR A 6 -1.249 -0.883 2.025 1.00 0.00 C ATOM 125 CE2 TYR A 6 -0.237 0.350 3.800 1.00 0.00 C ATOM 126 CZ TYR A 6 -1.360 -0.096 3.147 1.00 0.00 C ATOM 127 OH TYR A 6 -2.604 0.251 3.614 1.00 0.00 O ATOM 0 H TYR A 6 2.494 -0.431 -1.002 1.00 0.00 H new ATOM 0 HA TYR A 6 3.343 0.771 1.582 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.423 -2.061 1.030 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.143 -1.502 2.527 1.00 0.00 H new ATOM 0 HD1 TYR A 6 0.080 -1.847 0.670 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.896 0.349 3.843 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -2.136 -1.229 1.516 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.331 0.971 4.679 1.00 0.00 H new ATOM 0 HH TYR A 6 -2.509 0.808 4.414 1.00 0.00 H new ATOM 137 N CYS A 7 5.670 -0.209 1.283 1.00 0.00 N ATOM 138 CA CYS A 7 7.025 -0.492 0.848 1.00 0.00 C ATOM 139 C CYS A 7 7.485 -1.882 1.224 1.00 0.00 C ATOM 140 O CYS A 7 7.415 -2.290 2.385 1.00 0.00 O ATOM 141 CB CYS A 7 8.054 0.508 1.366 1.00 0.00 C ATOM 142 SG CYS A 7 9.546 0.432 0.341 1.00 0.00 S ATOM 0 H CYS A 7 5.587 0.247 2.192 1.00 0.00 H new ATOM 0 HA CYS A 7 6.970 -0.408 -0.237 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.638 1.515 1.347 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.302 0.285 2.404 1.00 0.00 H new ATOM 147 N ARG A 8 7.986 -2.581 0.220 1.00 0.00 N ATOM 148 CA ARG A 8 8.662 -3.843 0.420 1.00 0.00 C ATOM 149 C ARG A 8 9.848 -3.671 1.362 1.00 0.00 C ATOM 150 O ARG A 8 10.752 -2.870 1.101 1.00 0.00 O ATOM 151 CB ARG A 8 9.144 -4.406 -0.917 1.00 0.00 C ATOM 152 CG ARG A 8 9.701 -3.348 -1.862 1.00 0.00 C ATOM 153 CD ARG A 8 10.590 -3.966 -2.925 1.00 0.00 C ATOM 154 NE ARG A 8 11.906 -4.305 -2.386 1.00 0.00 N ATOM 155 CZ ARG A 8 12.430 -5.528 -2.408 1.00 0.00 C ATOM 156 NH1 ARG A 8 11.753 -6.537 -2.948 1.00 0.00 N ATOM 157 NH2 ARG A 8 13.631 -5.745 -1.883 1.00 0.00 N ATOM 0 H ARG A 8 7.934 -2.286 -0.755 1.00 0.00 H new ATOM 0 HA ARG A 8 7.954 -4.541 0.867 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.914 -5.155 -0.730 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.315 -4.917 -1.406 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.878 -2.815 -2.339 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.270 -2.613 -1.293 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.115 -4.863 -3.322 1.00 0.00 H new ATOM 0 HD3 ARG A 8 10.703 -3.270 -3.757 1.00 0.00 H new ATOM 0 HE ARG A 8 12.458 -3.557 -1.966 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.829 -6.375 -3.347 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.158 -7.473 -2.963 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.151 -4.974 -1.463 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.033 -6.682 -1.900 1.00 0.00 H new ATOM 171 N HIS A 9 9.779 -4.368 2.491 1.00 0.00 N ATOM 172 CA HIS A 9 10.900 -4.515 3.434 1.00 0.00 C ATOM 173 C HIS A 9 10.922 -3.390 4.466 1.00 0.00 C ATOM 174 O HIS A 9 11.398 -3.582 5.581 1.00 0.00 O ATOM 175 CB HIS A 9 12.253 -4.610 2.703 1.00 0.00 C ATOM 176 CG HIS A 9 13.429 -4.771 3.619 1.00 0.00 C ATOM 177 ND1 HIS A 9 14.402 -3.807 3.768 1.00 0.00 N ATOM 178 CD2 HIS A 9 13.786 -5.793 4.432 1.00 0.00 C ATOM 179 CE1 HIS A 9 15.306 -4.227 4.631 1.00 0.00 C ATOM 180 NE2 HIS A 9 14.956 -5.427 5.047 1.00 0.00 N ATOM 0 H HIS A 9 8.934 -4.857 2.788 1.00 0.00 H new ATOM 0 HA HIS A 9 10.741 -5.453 3.966 1.00 0.00 H new ATOM 0 HB2 HIS A 9 12.224 -5.454 2.014 1.00 0.00 H new ATOM 0 HB3 HIS A 9 12.394 -3.712 2.102 1.00 0.00 H new ATOM 0 HD2 HIS A 9 13.251 -6.721 4.570 1.00 0.00 H new ATOM 0 HE1 HIS A 9 16.184 -3.681 4.944 1.00 0.00 H new ATOM 0 HE2 HIS A 9 15.473 -5.994 5.719 1.00 0.00 H new ATOM 189 N CYS A 10 10.416 -2.225 4.100 1.00 0.00 N ATOM 190 CA CYS A 10 10.359 -1.106 5.037 1.00 0.00 C ATOM 191 C CYS A 10 8.991 -1.038 5.716 1.00 0.00 C ATOM 192 O CYS A 10 8.869 -0.608 6.861 1.00 0.00 O ATOM 193 CB CYS A 10 10.621 0.211 4.322 1.00 0.00 C ATOM 194 SG CYS A 10 12.011 0.191 3.178 1.00 0.00 S ATOM 0 H CYS A 10 10.041 -2.026 3.172 1.00 0.00 H new ATOM 0 HA CYS A 10 11.130 -1.269 5.790 1.00 0.00 H new ATOM 0 HB2 CYS A 10 9.723 0.495 3.774 1.00 0.00 H new ATOM 0 HB3 CYS A 10 10.796 0.985 5.070 1.00 0.00 H new ATOM 199 N GLY A 11 7.961 -1.450 4.980 1.00 0.00 N ATOM 200 CA GLY A 11 6.607 -1.429 5.500 1.00 0.00 C ATOM 201 C GLY A 11 6.011 -0.037 5.516 1.00 0.00 C ATOM 202 O GLY A 11 4.914 0.167 6.032 1.00 0.00 O ATOM 0 H GLY A 11 8.043 -1.800 4.026 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.979 -2.082 4.894 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.604 -1.833 6.512 1.00 0.00 H new ATOM 206 N VAL A 12 6.725 0.921 4.938 1.00 0.00 N ATOM 207 CA VAL A 12 6.286 2.306 4.940 1.00 0.00 C ATOM 208 C VAL A 12 5.178 2.537 3.930 1.00 0.00 C ATOM 209 O VAL A 12 5.216 2.014 2.817 1.00 0.00 O ATOM 210 CB VAL A 12 7.458 3.298 4.718 1.00 0.00 C ATOM 211 CG1 VAL A 12 8.367 2.862 3.594 1.00 0.00 C ATOM 212 CG2 VAL A 12 6.946 4.680 4.409 1.00 0.00 C ATOM 0 H VAL A 12 7.612 0.761 4.461 1.00 0.00 H new ATOM 0 HA VAL A 12 5.885 2.504 5.934 1.00 0.00 H new ATOM 0 HB VAL A 12 8.027 3.310 5.648 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.172 3.587 3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.790 1.885 3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.796 2.799 2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.789 5.355 4.258 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.339 4.649 3.504 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.339 5.038 5.241 1.00 0.00 H new ATOM 222 N LYS A 13 4.181 3.305 4.345 1.00 0.00 N ATOM 223 CA LYS A 13 3.029 3.575 3.507 1.00 0.00 C ATOM 224 C LYS A 13 3.338 4.706 2.544 1.00 0.00 C ATOM 225 O LYS A 13 3.245 5.884 2.891 1.00 0.00 O ATOM 226 CB LYS A 13 1.810 3.920 4.360 1.00 0.00 C ATOM 227 CG LYS A 13 1.530 2.900 5.449 1.00 0.00 C ATOM 228 CD LYS A 13 0.287 3.259 6.242 1.00 0.00 C ATOM 229 CE LYS A 13 -0.027 2.210 7.295 1.00 0.00 C ATOM 230 NZ LYS A 13 -1.295 2.506 8.010 1.00 0.00 N ATOM 0 H LYS A 13 4.150 3.752 5.261 1.00 0.00 H new ATOM 0 HA LYS A 13 2.800 2.677 2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.961 4.898 4.818 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.935 4.002 3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.405 1.914 5.002 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.386 2.839 6.121 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.428 4.227 6.723 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.561 3.360 5.564 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.097 1.230 6.822 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.792 2.160 8.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.474 1.767 8.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.220 3.429 8.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.081 2.529 7.329 1.00 0.00 H new ATOM 244 N VAL A 14 3.703 4.329 1.333 1.00 0.00 N ATOM 245 CA VAL A 14 4.100 5.289 0.318 1.00 0.00 C ATOM 246 C VAL A 14 2.866 5.984 -0.248 1.00 0.00 C ATOM 247 O VAL A 14 2.928 7.124 -0.706 1.00 0.00 O ATOM 248 CB VAL A 14 4.886 4.626 -0.846 1.00 0.00 C ATOM 249 CG1 VAL A 14 6.162 5.396 -1.135 1.00 0.00 C ATOM 250 CG2 VAL A 14 5.212 3.163 -0.566 1.00 0.00 C ATOM 0 H VAL A 14 3.733 3.357 1.026 1.00 0.00 H new ATOM 0 HA VAL A 14 4.759 6.011 0.800 1.00 0.00 H new ATOM 0 HB VAL A 14 4.239 4.656 -1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.699 4.916 -1.953 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.914 6.420 -1.415 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.791 5.405 -0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.762 2.745 -1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.821 3.092 0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.287 2.605 -0.423 1.00 0.00 H new ATOM 260 N GLY A 15 1.739 5.287 -0.198 1.00 0.00 N ATOM 261 CA GLY A 15 0.512 5.824 -0.742 1.00 0.00 C ATOM 262 C GLY A 15 -0.680 5.575 0.151 1.00 0.00 C ATOM 263 O GLY A 15 -1.492 4.688 -0.112 1.00 0.00 O ATOM 0 H GLY A 15 1.655 4.357 0.211 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.627 6.897 -0.897 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.328 5.379 -1.720 1.00 0.00 H new ATOM 267 N SER A 16 -0.756 6.335 1.230 1.00 0.00 N ATOM 268 CA SER A 16 -1.930 6.339 2.086 1.00 0.00 C ATOM 269 C SER A 16 -2.094 7.721 2.696 1.00 0.00 C ATOM 270 O SER A 16 -2.615 7.885 3.801 1.00 0.00 O ATOM 271 CB SER A 16 -1.810 5.273 3.178 1.00 0.00 C ATOM 272 OG SER A 16 -3.059 5.051 3.815 1.00 0.00 O ATOM 0 H SER A 16 -0.012 6.962 1.536 1.00 0.00 H new ATOM 0 HA SER A 16 -2.812 6.101 1.491 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.450 4.341 2.743 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.072 5.586 3.917 1.00 0.00 H new ATOM 0 HG SER A 16 -3.582 4.407 3.294 1.00 0.00 H new ATOM 278 N LEU A 17 -1.646 8.712 1.941 1.00 0.00 N ATOM 279 CA LEU A 17 -1.614 10.096 2.397 1.00 0.00 C ATOM 280 C LEU A 17 -1.167 11.001 1.260 1.00 0.00 C ATOM 281 O LEU A 17 -1.497 12.184 1.213 1.00 0.00 O ATOM 282 CB LEU A 17 -0.676 10.257 3.607 1.00 0.00 C ATOM 283 CG LEU A 17 0.830 10.110 3.330 1.00 0.00 C ATOM 284 CD1 LEU A 17 1.633 10.583 4.525 1.00 0.00 C ATOM 285 CD2 LEU A 17 1.202 8.673 2.996 1.00 0.00 C ATOM 0 H LEU A 17 -1.293 8.581 0.993 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.619 10.381 2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.848 11.240 4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.959 9.520 4.359 1.00 0.00 H new ATOM 0 HG LEU A 17 1.066 10.730 2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.697 10.473 4.315 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.408 11.631 4.722 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.372 9.985 5.398 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.274 8.609 2.807 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.942 8.026 3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.657 8.353 2.108 1.00 0.00 H new ATOM 297 N GLU A 18 -0.423 10.414 0.340 1.00 0.00 N ATOM 298 CA GLU A 18 0.086 11.130 -0.823 1.00 0.00 C ATOM 299 C GLU A 18 -0.402 10.492 -2.117 1.00 0.00 C ATOM 300 O GLU A 18 -1.463 10.844 -2.636 1.00 0.00 O ATOM 301 CB GLU A 18 1.614 11.158 -0.801 1.00 0.00 C ATOM 302 CG GLU A 18 2.194 12.060 0.274 1.00 0.00 C ATOM 303 CD GLU A 18 3.681 11.857 0.452 1.00 0.00 C ATOM 304 OE1 GLU A 18 4.095 11.397 1.537 1.00 0.00 O ATOM 305 OE2 GLU A 18 4.439 12.135 -0.499 1.00 0.00 O ATOM 0 H GLU A 18 -0.153 9.431 0.375 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.292 12.151 -0.780 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.985 10.144 -0.651 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.976 11.489 -1.774 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.000 13.101 0.015 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.687 11.867 1.220 1.00 0.00 H new ATOM 312 N SER A 19 0.375 9.549 -2.623 1.00 0.00 N ATOM 313 CA SER A 19 0.026 8.832 -3.842 1.00 0.00 C ATOM 314 C SER A 19 -0.986 7.734 -3.539 1.00 0.00 C ATOM 315 O SER A 19 -0.643 6.556 -3.470 1.00 0.00 O ATOM 316 CB SER A 19 1.279 8.230 -4.463 1.00 0.00 C ATOM 317 OG SER A 19 2.302 9.206 -4.573 1.00 0.00 O ATOM 0 H SER A 19 1.259 9.259 -2.206 1.00 0.00 H new ATOM 0 HA SER A 19 -0.421 9.533 -4.547 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.629 7.397 -3.854 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.045 7.828 -5.449 1.00 0.00 H new ATOM 0 HG SER A 19 3.100 8.800 -4.972 1.00 0.00 H new ATOM 323 N SER A 20 -2.230 8.133 -3.366 1.00 0.00 N ATOM 324 CA SER A 20 -3.269 7.212 -2.932 1.00 0.00 C ATOM 325 C SER A 20 -4.474 7.252 -3.874 1.00 0.00 C ATOM 326 O SER A 20 -5.145 6.242 -4.089 1.00 0.00 O ATOM 327 CB SER A 20 -3.711 7.577 -1.514 1.00 0.00 C ATOM 328 OG SER A 20 -2.644 8.154 -0.770 1.00 0.00 O ATOM 0 H SER A 20 -2.549 9.090 -3.519 1.00 0.00 H new ATOM 0 HA SER A 20 -2.861 6.201 -2.947 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.545 8.277 -1.560 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.072 6.685 -1.003 1.00 0.00 H new ATOM 0 HG SER A 20 -2.986 8.896 -0.229 1.00 0.00 H new ATOM 334 N MET A 21 -4.743 8.423 -4.433 1.00 0.00 N ATOM 335 CA MET A 21 -5.930 8.619 -5.261 1.00 0.00 C ATOM 336 C MET A 21 -5.548 8.923 -6.702 1.00 0.00 C ATOM 337 O MET A 21 -6.397 9.252 -7.530 1.00 0.00 O ATOM 338 CB MET A 21 -6.778 9.753 -4.692 1.00 0.00 C ATOM 339 CG MET A 21 -6.057 11.091 -4.651 1.00 0.00 C ATOM 340 SD MET A 21 -7.103 12.443 -4.073 1.00 0.00 S ATOM 341 CE MET A 21 -7.548 11.859 -2.438 1.00 0.00 C ATOM 0 H MET A 21 -4.158 9.252 -4.330 1.00 0.00 H new ATOM 0 HA MET A 21 -6.510 7.696 -5.253 1.00 0.00 H new ATOM 0 HB2 MET A 21 -7.682 9.855 -5.292 1.00 0.00 H new ATOM 0 HB3 MET A 21 -7.093 9.489 -3.683 1.00 0.00 H new ATOM 0 HG2 MET A 21 -5.187 11.008 -3.999 1.00 0.00 H new ATOM 0 HG3 MET A 21 -5.686 11.328 -5.648 1.00 0.00 H new ATOM 0 HE1 MET A 21 -7.913 12.694 -1.840 1.00 0.00 H new ATOM 0 HE2 MET A 21 -8.329 11.104 -2.522 1.00 0.00 H new ATOM 0 HE3 MET A 21 -6.672 11.424 -1.956 1.00 0.00 H new ATOM 351 N VAL A 22 -4.265 8.822 -6.982 1.00 0.00 N ATOM 352 CA VAL A 22 -3.756 9.044 -8.327 1.00 0.00 C ATOM 353 C VAL A 22 -4.168 7.897 -9.257 1.00 0.00 C ATOM 354 O VAL A 22 -3.694 6.768 -9.118 1.00 0.00 O ATOM 355 CB VAL A 22 -2.216 9.233 -8.329 1.00 0.00 C ATOM 356 CG1 VAL A 22 -1.505 8.078 -7.631 1.00 0.00 C ATOM 357 CG2 VAL A 22 -1.694 9.410 -9.748 1.00 0.00 C ATOM 0 H VAL A 22 -3.549 8.586 -6.295 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.199 9.967 -8.702 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.998 10.140 -7.766 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.428 8.247 -7.653 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.841 8.016 -6.596 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.736 7.145 -8.144 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.612 9.541 -9.724 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.940 8.528 -10.339 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.156 10.289 -10.199 1.00 0.00 H new ATOM 367 N SER A 23 -5.080 8.207 -10.185 1.00 0.00 N ATOM 368 CA SER A 23 -5.633 7.239 -11.143 1.00 0.00 C ATOM 369 C SER A 23 -6.212 6.004 -10.438 1.00 0.00 C ATOM 370 O SER A 23 -6.375 5.987 -9.214 1.00 0.00 O ATOM 371 CB SER A 23 -4.575 6.833 -12.188 1.00 0.00 C ATOM 372 OG SER A 23 -3.470 6.160 -11.605 1.00 0.00 O ATOM 0 H SER A 23 -5.460 9.147 -10.294 1.00 0.00 H new ATOM 0 HA SER A 23 -6.456 7.730 -11.663 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.036 6.188 -12.936 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.222 7.723 -12.708 1.00 0.00 H new ATOM 0 HG SER A 23 -3.651 5.996 -10.656 1.00 0.00 H new ATOM 378 N THR A 24 -6.569 4.988 -11.212 1.00 0.00 N ATOM 379 CA THR A 24 -7.043 3.740 -10.641 1.00 0.00 C ATOM 380 C THR A 24 -6.579 2.555 -11.483 1.00 0.00 C ATOM 381 O THR A 24 -6.837 2.480 -12.686 1.00 0.00 O ATOM 382 CB THR A 24 -8.586 3.720 -10.477 1.00 0.00 C ATOM 383 OG1 THR A 24 -9.002 2.512 -9.819 1.00 0.00 O ATOM 384 CG2 THR A 24 -9.299 3.838 -11.819 1.00 0.00 C ATOM 0 H THR A 24 -6.539 5.005 -12.231 1.00 0.00 H new ATOM 0 HA THR A 24 -6.611 3.657 -9.644 1.00 0.00 H new ATOM 0 HB THR A 24 -8.859 4.583 -9.869 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.977 2.512 -9.720 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.377 3.820 -11.661 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.018 4.775 -12.299 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.012 3.003 -12.458 1.00 0.00 H new ATOM 392 N ASP A 25 -5.831 1.663 -10.854 1.00 0.00 N ATOM 393 CA ASP A 25 -5.380 0.441 -11.508 1.00 0.00 C ATOM 394 C ASP A 25 -6.263 -0.717 -11.105 1.00 0.00 C ATOM 395 O ASP A 25 -6.081 -1.846 -11.556 1.00 0.00 O ATOM 396 CB ASP A 25 -3.926 0.138 -11.161 1.00 0.00 C ATOM 397 CG ASP A 25 -2.956 0.920 -12.021 1.00 0.00 C ATOM 398 OD1 ASP A 25 -2.513 0.385 -13.059 1.00 0.00 O ATOM 399 OD2 ASP A 25 -2.637 2.073 -11.671 1.00 0.00 O ATOM 0 H ASP A 25 -5.521 1.761 -9.887 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.448 0.586 -12.586 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.749 0.373 -10.111 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.740 -0.929 -11.285 1.00 0.00 H new ATOM 404 N SER A 26 -7.213 -0.417 -10.240 1.00 0.00 N ATOM 405 CA SER A 26 -8.099 -1.417 -9.686 1.00 0.00 C ATOM 406 C SER A 26 -9.041 -1.960 -10.755 1.00 0.00 C ATOM 407 O SER A 26 -8.844 -3.069 -11.254 1.00 0.00 O ATOM 408 CB SER A 26 -8.890 -0.806 -8.528 1.00 0.00 C ATOM 409 OG SER A 26 -9.814 -1.729 -7.979 1.00 0.00 O ATOM 0 H SER A 26 -7.391 0.529 -9.903 1.00 0.00 H new ATOM 0 HA SER A 26 -7.505 -2.252 -9.314 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.201 -0.476 -7.751 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.423 0.078 -8.878 1.00 0.00 H new ATOM 0 HG SER A 26 -10.300 -1.305 -7.241 1.00 0.00 H new ATOM 415 N LEU A 27 -10.041 -1.158 -11.116 1.00 0.00 N ATOM 416 CA LEU A 27 -11.056 -1.560 -12.084 1.00 0.00 C ATOM 417 C LEU A 27 -11.701 -2.885 -11.695 1.00 0.00 C ATOM 418 O LEU A 27 -11.293 -3.952 -12.159 1.00 0.00 O ATOM 419 CB LEU A 27 -10.474 -1.650 -13.494 1.00 0.00 C ATOM 420 CG LEU A 27 -10.245 -0.307 -14.184 1.00 0.00 C ATOM 421 CD1 LEU A 27 -8.969 0.354 -13.695 1.00 0.00 C ATOM 422 CD2 LEU A 27 -10.219 -0.496 -15.683 1.00 0.00 C ATOM 0 H LEU A 27 -10.169 -0.216 -10.747 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.827 -0.790 -12.079 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.525 -2.183 -13.446 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.145 -2.249 -14.110 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.071 0.357 -13.930 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.835 1.308 -14.205 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.036 0.524 -12.620 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.119 -0.294 -13.908 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.055 0.466 -16.168 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.412 -1.179 -15.950 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.171 -0.912 -16.014 1.00 0.00 H new ATOM 434 N GLY A 28 -12.717 -2.808 -10.851 1.00 0.00 N ATOM 435 CA GLY A 28 -13.430 -4.000 -10.433 1.00 0.00 C ATOM 436 C GLY A 28 -14.391 -4.474 -11.502 1.00 0.00 C ATOM 437 O GLY A 28 -15.602 -4.519 -11.286 1.00 0.00 O ATOM 0 H GLY A 28 -13.063 -1.939 -10.445 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.716 -4.792 -10.207 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -13.979 -3.794 -9.514 1.00 0.00 H new ATOM 441 N PHE A 29 -13.840 -4.816 -12.658 1.00 0.00 N ATOM 442 CA PHE A 29 -14.632 -5.192 -13.815 1.00 0.00 C ATOM 443 C PHE A 29 -14.077 -6.461 -14.440 1.00 0.00 C ATOM 444 O PHE A 29 -12.894 -6.535 -14.766 1.00 0.00 O ATOM 445 CB PHE A 29 -14.605 -4.069 -14.854 1.00 0.00 C ATOM 446 CG PHE A 29 -15.020 -2.731 -14.314 1.00 0.00 C ATOM 447 CD1 PHE A 29 -16.314 -2.513 -13.874 1.00 0.00 C ATOM 448 CD2 PHE A 29 -14.108 -1.691 -14.242 1.00 0.00 C ATOM 449 CE1 PHE A 29 -16.691 -1.285 -13.370 1.00 0.00 C ATOM 450 CE2 PHE A 29 -14.479 -0.460 -13.740 1.00 0.00 C ATOM 451 CZ PHE A 29 -15.772 -0.258 -13.302 1.00 0.00 C ATOM 0 H PHE A 29 -12.833 -4.840 -12.818 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.658 -5.366 -13.491 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -13.597 -3.989 -15.262 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -15.263 -4.336 -15.681 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -17.037 -3.313 -13.926 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -13.095 -1.845 -14.583 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -17.704 -1.128 -13.029 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -13.759 0.343 -13.690 1.00 0.00 H new ATOM 0 HZ PHE A 29 -16.064 0.703 -12.906 1.00 0.00 H new ATOM 461 N GLN A 30 -14.935 -7.457 -14.602 1.00 0.00 N ATOM 462 CA GLN A 30 -14.547 -8.702 -15.253 1.00 0.00 C ATOM 463 C GLN A 30 -14.446 -8.478 -16.754 1.00 0.00 C ATOM 464 O GLN A 30 -13.392 -8.667 -17.352 1.00 0.00 O ATOM 465 CB GLN A 30 -15.561 -9.810 -14.953 1.00 0.00 C ATOM 466 CG GLN A 30 -15.750 -10.086 -13.468 1.00 0.00 C ATOM 467 CD GLN A 30 -14.715 -11.034 -12.871 1.00 0.00 C ATOM 468 OE1 GLN A 30 -13.521 -11.080 -13.443 1.00 0.00 O flip ATOM 469 NE2 GLN A 30 -14.996 -11.734 -11.898 1.00 0.00 N flip ATOM 0 H GLN A 30 -15.906 -7.428 -14.292 1.00 0.00 H new ATOM 0 HA GLN A 30 -13.577 -9.015 -14.866 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -16.523 -9.537 -15.387 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -15.238 -10.728 -15.445 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -15.715 -9.140 -12.927 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -16.744 -10.506 -13.312 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -15.924 -11.676 -11.479 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -14.301 -12.372 -11.511 1.00 0.00 H new ATOM 478 N HIS A 31 -15.554 -8.079 -17.358 1.00 0.00 N ATOM 479 CA HIS A 31 -15.561 -7.687 -18.764 1.00 0.00 C ATOM 480 C HIS A 31 -16.369 -6.413 -18.961 1.00 0.00 C ATOM 481 O HIS A 31 -17.233 -6.335 -19.832 1.00 0.00 O ATOM 482 CB HIS A 31 -16.103 -8.807 -19.657 1.00 0.00 C ATOM 483 CG HIS A 31 -15.089 -9.863 -19.970 1.00 0.00 C ATOM 484 ND1 HIS A 31 -14.276 -9.820 -21.083 1.00 0.00 N ATOM 485 CD2 HIS A 31 -14.745 -10.988 -19.301 1.00 0.00 C ATOM 486 CE1 HIS A 31 -13.480 -10.872 -21.084 1.00 0.00 C ATOM 487 NE2 HIS A 31 -13.744 -11.597 -20.014 1.00 0.00 N ATOM 0 H HIS A 31 -16.463 -8.017 -16.899 1.00 0.00 H new ATOM 0 HA HIS A 31 -14.529 -7.496 -19.058 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -16.959 -9.270 -19.166 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -16.466 -8.374 -20.590 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -15.178 -11.341 -18.377 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -12.738 -11.101 -21.834 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.279 -12.468 -19.759 1.00 0.00 H new ATOM 496 N LEU A 32 -16.085 -5.416 -18.135 1.00 0.00 N ATOM 497 CA LEU A 32 -16.751 -4.126 -18.235 1.00 0.00 C ATOM 498 C LEU A 32 -15.710 -3.049 -18.496 1.00 0.00 C ATOM 499 O LEU A 32 -14.527 -3.348 -18.659 1.00 0.00 O ATOM 500 CB LEU A 32 -17.539 -3.777 -16.960 1.00 0.00 C ATOM 501 CG LEU A 32 -18.539 -4.824 -16.459 1.00 0.00 C ATOM 502 CD1 LEU A 32 -17.823 -5.968 -15.773 1.00 0.00 C ATOM 503 CD2 LEU A 32 -19.537 -4.187 -15.507 1.00 0.00 C ATOM 0 H LEU A 32 -15.395 -5.477 -17.386 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.465 -4.181 -19.057 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -16.824 -3.581 -16.161 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -18.080 -2.848 -17.139 1.00 0.00 H new ATOM 0 HG LEU A 32 -19.076 -5.221 -17.321 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -18.554 -6.699 -15.426 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -17.140 -6.444 -16.477 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.259 -5.586 -14.922 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -20.241 -4.943 -15.159 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -19.007 -3.765 -14.653 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -20.080 -3.396 -16.025 1.00 0.00 H new ATOM 515 N THR A 33 -16.147 -1.803 -18.518 1.00 0.00 N ATOM 516 CA THR A 33 -15.258 -0.681 -18.802 1.00 0.00 C ATOM 517 C THR A 33 -15.667 0.567 -18.032 1.00 0.00 C ATOM 518 O THR A 33 -16.580 0.521 -17.207 1.00 0.00 O ATOM 519 CB THR A 33 -15.235 -0.349 -20.306 1.00 0.00 C ATOM 520 OG1 THR A 33 -16.474 -0.734 -20.903 1.00 0.00 O ATOM 521 CG2 THR A 33 -14.082 -1.040 -21.011 1.00 0.00 C ATOM 0 H THR A 33 -17.116 -1.537 -18.342 1.00 0.00 H new ATOM 0 HA THR A 33 -14.262 -0.989 -18.483 1.00 0.00 H new ATOM 0 HB THR A 33 -15.094 0.727 -20.413 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.457 -0.520 -21.859 1.00 0.00 H new ATOM 0 HG21 THR A 33 -14.097 -0.783 -22.070 1.00 0.00 H new ATOM 0 HG22 THR A 33 -13.139 -0.714 -20.572 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.181 -2.120 -20.898 1.00 0.00 H new ATOM 529 N ASN A 34 -15.003 1.681 -18.318 1.00 0.00 N ATOM 530 CA ASN A 34 -15.323 2.957 -17.685 1.00 0.00 C ATOM 531 C ASN A 34 -16.767 3.372 -17.966 1.00 0.00 C ATOM 532 O ASN A 34 -17.385 4.080 -17.167 1.00 0.00 O ATOM 533 CB ASN A 34 -14.342 4.054 -18.135 1.00 0.00 C ATOM 534 CG ASN A 34 -14.179 4.158 -19.644 1.00 0.00 C ATOM 535 OD1 ASN A 34 -15.103 3.898 -20.411 1.00 0.00 O ATOM 536 ND2 ASN A 34 -12.984 4.528 -20.078 1.00 0.00 N ATOM 0 H ASN A 34 -14.235 1.727 -18.988 1.00 0.00 H new ATOM 0 HA ASN A 34 -15.219 2.826 -16.608 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -14.685 5.014 -17.750 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.367 3.861 -17.687 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -12.807 4.605 -21.079 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -12.241 4.736 -19.411 1.00 0.00 H new ATOM 543 N GLU A 35 -17.311 2.905 -19.084 1.00 0.00 N ATOM 544 CA GLU A 35 -18.697 3.191 -19.426 1.00 0.00 C ATOM 545 C GLU A 35 -19.641 2.476 -18.461 1.00 0.00 C ATOM 546 O GLU A 35 -20.696 2.999 -18.109 1.00 0.00 O ATOM 547 CB GLU A 35 -18.993 2.800 -20.876 1.00 0.00 C ATOM 548 CG GLU A 35 -18.692 1.351 -21.183 1.00 0.00 C ATOM 549 CD GLU A 35 -19.012 0.970 -22.614 1.00 0.00 C ATOM 550 OE1 GLU A 35 -20.091 0.389 -22.852 1.00 0.00 O ATOM 551 OE2 GLU A 35 -18.182 1.238 -23.509 1.00 0.00 O ATOM 0 H GLU A 35 -16.816 2.330 -19.765 1.00 0.00 H new ATOM 0 HA GLU A 35 -18.861 4.264 -19.332 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -20.043 2.998 -21.090 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -18.407 3.434 -21.542 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -17.638 1.156 -20.988 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -19.264 0.716 -20.507 1.00 0.00 H new ATOM 558 N GLU A 36 -19.240 1.294 -18.007 1.00 0.00 N ATOM 559 CA GLU A 36 -20.025 0.546 -17.038 1.00 0.00 C ATOM 560 C GLU A 36 -19.815 1.110 -15.640 1.00 0.00 C ATOM 561 O GLU A 36 -20.688 1.009 -14.777 1.00 0.00 O ATOM 562 CB GLU A 36 -19.634 -0.925 -17.065 1.00 0.00 C ATOM 563 CG GLU A 36 -19.896 -1.601 -18.397 1.00 0.00 C ATOM 564 CD GLU A 36 -21.366 -1.637 -18.751 1.00 0.00 C ATOM 565 OE1 GLU A 36 -22.121 -2.382 -18.099 1.00 0.00 O ATOM 566 OE2 GLU A 36 -21.772 -0.927 -19.690 1.00 0.00 O ATOM 0 H GLU A 36 -18.376 0.835 -18.296 1.00 0.00 H new ATOM 0 HA GLU A 36 -21.079 0.638 -17.302 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -18.575 -1.015 -16.824 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -20.184 -1.452 -16.286 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -19.350 -1.076 -19.181 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -19.508 -2.619 -18.366 1.00 0.00 H new ATOM 573 N ARG A 37 -18.647 1.707 -15.433 1.00 0.00 N ATOM 574 CA ARG A 37 -18.292 2.290 -14.160 1.00 0.00 C ATOM 575 C ARG A 37 -19.245 3.422 -13.788 1.00 0.00 C ATOM 576 O ARG A 37 -19.623 3.568 -12.632 1.00 0.00 O ATOM 577 CB ARG A 37 -16.856 2.800 -14.221 1.00 0.00 C ATOM 578 CG ARG A 37 -16.393 3.396 -12.918 1.00 0.00 C ATOM 579 CD ARG A 37 -14.926 3.789 -12.959 1.00 0.00 C ATOM 580 NE ARG A 37 -14.478 4.341 -11.682 1.00 0.00 N ATOM 581 CZ ARG A 37 -13.335 5.004 -11.516 1.00 0.00 C ATOM 582 NH1 ARG A 37 -12.490 5.148 -12.529 1.00 0.00 N ATOM 583 NH2 ARG A 37 -13.028 5.511 -10.327 1.00 0.00 N ATOM 0 H ARG A 37 -17.925 1.797 -16.148 1.00 0.00 H new ATOM 0 HA ARG A 37 -18.373 1.524 -13.389 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -16.195 1.978 -14.495 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -16.775 3.550 -15.008 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -16.997 4.274 -12.686 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -16.553 2.678 -12.114 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -14.323 2.917 -13.210 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.768 4.524 -13.748 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.078 4.210 -10.867 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.714 4.750 -13.441 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.616 5.657 -12.396 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.668 5.392 -9.541 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.153 6.019 -10.200 1.00 0.00 H new ATOM 597 N ASN A 38 -19.628 4.225 -14.764 1.00 0.00 N ATOM 598 CA ASN A 38 -20.590 5.296 -14.520 1.00 0.00 C ATOM 599 C ASN A 38 -22.009 4.744 -14.475 1.00 0.00 C ATOM 600 O ASN A 38 -22.891 5.317 -13.836 1.00 0.00 O ATOM 601 CB ASN A 38 -20.487 6.379 -15.593 1.00 0.00 C ATOM 602 CG ASN A 38 -19.150 7.092 -15.579 1.00 0.00 C ATOM 603 OD1 ASN A 38 -18.491 7.197 -14.541 1.00 0.00 O ATOM 604 ND2 ASN A 38 -18.744 7.603 -16.727 1.00 0.00 N ATOM 0 H ASN A 38 -19.294 4.161 -15.726 1.00 0.00 H new ATOM 0 HA ASN A 38 -20.354 5.741 -13.554 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -20.644 5.929 -16.573 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -21.284 7.108 -15.445 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -17.858 8.105 -16.777 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -19.317 7.495 -17.564 1.00 0.00 H new ATOM 611 N ASP A 39 -22.215 3.621 -15.149 1.00 0.00 N ATOM 612 CA ASP A 39 -23.538 3.013 -15.260 1.00 0.00 C ATOM 613 C ASP A 39 -23.952 2.312 -13.969 1.00 0.00 C ATOM 614 O ASP A 39 -24.992 2.629 -13.386 1.00 0.00 O ATOM 615 CB ASP A 39 -23.557 2.017 -16.423 1.00 0.00 C ATOM 616 CG ASP A 39 -24.804 1.154 -16.441 1.00 0.00 C ATOM 617 OD1 ASP A 39 -24.711 -0.036 -16.081 1.00 0.00 O ATOM 618 OD2 ASP A 39 -25.883 1.655 -16.823 1.00 0.00 O ATOM 0 H ASP A 39 -21.478 3.107 -15.632 1.00 0.00 H new ATOM 0 HA ASP A 39 -24.255 3.812 -15.447 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -23.486 2.563 -17.364 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -22.678 1.375 -16.360 1.00 0.00 H new ATOM 623 N MET A 40 -23.147 1.358 -13.527 1.00 0.00 N ATOM 624 CA MET A 40 -23.483 0.568 -12.349 1.00 0.00 C ATOM 625 C MET A 40 -22.484 0.807 -11.222 1.00 0.00 C ATOM 626 O MET A 40 -22.779 0.538 -10.056 1.00 0.00 O ATOM 627 CB MET A 40 -23.526 -0.920 -12.707 1.00 0.00 C ATOM 628 CG MET A 40 -24.034 -1.809 -11.583 1.00 0.00 C ATOM 629 SD MET A 40 -25.728 -1.417 -11.105 1.00 0.00 S ATOM 630 CE MET A 40 -25.966 -2.560 -9.748 1.00 0.00 C ATOM 0 H MET A 40 -22.259 1.111 -13.964 1.00 0.00 H new ATOM 0 HA MET A 40 -24.467 0.882 -12.001 1.00 0.00 H new ATOM 0 HB2 MET A 40 -24.164 -1.055 -13.581 1.00 0.00 H new ATOM 0 HB3 MET A 40 -22.525 -1.245 -12.990 1.00 0.00 H new ATOM 0 HG2 MET A 40 -23.980 -2.852 -11.896 1.00 0.00 H new ATOM 0 HG3 MET A 40 -23.381 -1.702 -10.716 1.00 0.00 H new ATOM 0 HE1 MET A 40 -26.971 -2.440 -9.343 1.00 0.00 H new ATOM 0 HE2 MET A 40 -25.839 -3.582 -10.106 1.00 0.00 H new ATOM 0 HE3 MET A 40 -25.234 -2.355 -8.967 1.00 0.00 H new ATOM 640 N ILE A 41 -21.306 1.312 -11.583 1.00 0.00 N ATOM 641 CA ILE A 41 -20.220 1.578 -10.633 1.00 0.00 C ATOM 642 C ILE A 41 -19.507 0.286 -10.226 1.00 0.00 C ATOM 643 O ILE A 41 -18.277 0.253 -10.141 1.00 0.00 O ATOM 644 CB ILE A 41 -20.707 2.343 -9.373 1.00 0.00 C ATOM 645 CG1 ILE A 41 -21.338 3.681 -9.777 1.00 0.00 C ATOM 646 CG2 ILE A 41 -19.559 2.573 -8.400 1.00 0.00 C ATOM 647 CD1 ILE A 41 -21.872 4.484 -8.610 1.00 0.00 C ATOM 0 H ILE A 41 -21.074 1.550 -12.547 1.00 0.00 H new ATOM 0 HA ILE A 41 -19.510 2.221 -11.152 1.00 0.00 H new ATOM 0 HB ILE A 41 -21.460 1.734 -8.873 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -20.594 4.277 -10.306 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -22.151 3.491 -10.477 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -19.925 3.111 -7.526 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -19.147 1.613 -8.089 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -18.781 3.161 -8.888 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -22.302 5.416 -8.976 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -22.640 3.908 -8.093 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -21.059 4.707 -7.919 1.00 0.00 H new ATOM 659 N SER A 42 -20.297 -0.755 -9.954 1.00 0.00 N ATOM 660 CA SER A 42 -19.796 -2.110 -9.687 1.00 0.00 C ATOM 661 C SER A 42 -19.148 -2.233 -8.307 1.00 0.00 C ATOM 662 O SER A 42 -18.996 -3.342 -7.786 1.00 0.00 O ATOM 663 CB SER A 42 -18.824 -2.556 -10.785 1.00 0.00 C ATOM 664 OG SER A 42 -19.441 -2.494 -12.063 1.00 0.00 O ATOM 0 H SER A 42 -21.314 -0.683 -9.912 1.00 0.00 H new ATOM 0 HA SER A 42 -20.660 -2.774 -9.692 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.939 -1.920 -10.773 1.00 0.00 H new ATOM 0 HB3 SER A 42 -18.488 -3.574 -10.588 1.00 0.00 H new ATOM 0 HG SER A 42 -19.302 -3.342 -12.535 1.00 0.00 H new ATOM 670 N TYR A 43 -18.783 -1.087 -7.726 1.00 0.00 N ATOM 671 CA TYR A 43 -18.169 -1.014 -6.399 1.00 0.00 C ATOM 672 C TYR A 43 -16.738 -1.548 -6.420 1.00 0.00 C ATOM 673 O TYR A 43 -16.408 -2.473 -7.163 1.00 0.00 O ATOM 674 CB TYR A 43 -19.018 -1.765 -5.359 1.00 0.00 C ATOM 675 CG TYR A 43 -18.400 -1.816 -3.977 1.00 0.00 C ATOM 676 CD1 TYR A 43 -18.249 -0.665 -3.216 1.00 0.00 C ATOM 677 CD2 TYR A 43 -17.973 -3.021 -3.435 1.00 0.00 C ATOM 678 CE1 TYR A 43 -17.682 -0.712 -1.955 1.00 0.00 C ATOM 679 CE2 TYR A 43 -17.407 -3.077 -2.176 1.00 0.00 C ATOM 680 CZ TYR A 43 -17.265 -1.921 -1.440 1.00 0.00 C ATOM 681 OH TYR A 43 -16.705 -1.974 -0.183 1.00 0.00 O ATOM 0 H TYR A 43 -18.907 -0.176 -8.168 1.00 0.00 H new ATOM 0 HA TYR A 43 -18.128 0.036 -6.110 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -19.996 -1.288 -5.291 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -19.184 -2.784 -5.709 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -18.580 0.283 -3.615 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -18.085 -3.930 -4.007 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -17.567 0.193 -1.377 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -17.077 -4.022 -1.771 1.00 0.00 H new ATOM 0 HH TYR A 43 -16.466 -2.900 0.030 1.00 0.00 H new ATOM 691 N LYS A 44 -15.879 -0.931 -5.619 1.00 0.00 N ATOM 692 CA LYS A 44 -14.513 -1.401 -5.454 1.00 0.00 C ATOM 693 C LYS A 44 -14.508 -2.676 -4.625 1.00 0.00 C ATOM 694 O LYS A 44 -14.424 -2.623 -3.398 1.00 0.00 O ATOM 695 CB LYS A 44 -13.660 -0.338 -4.763 1.00 0.00 C ATOM 696 CG LYS A 44 -13.541 0.964 -5.536 1.00 0.00 C ATOM 697 CD LYS A 44 -12.799 2.015 -4.727 1.00 0.00 C ATOM 698 CE LYS A 44 -11.358 1.610 -4.458 1.00 0.00 C ATOM 699 NZ LYS A 44 -10.722 2.478 -3.435 1.00 0.00 N ATOM 0 H LYS A 44 -16.107 -0.101 -5.072 1.00 0.00 H new ATOM 0 HA LYS A 44 -14.092 -1.602 -6.439 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.086 -0.127 -3.782 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.661 -0.741 -4.597 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.017 0.786 -6.475 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.535 1.332 -5.791 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.815 2.964 -5.263 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.314 2.175 -3.780 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.328 0.573 -4.124 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.787 1.662 -5.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.718 2.225 -3.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.803 3.473 -3.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.200 2.344 -2.521 1.00 0.00 H new ATOM 713 N GLU A 45 -14.609 -3.812 -5.302 1.00 0.00 N ATOM 714 CA GLU A 45 -14.712 -5.104 -4.637 1.00 0.00 C ATOM 715 C GLU A 45 -13.497 -5.370 -3.752 1.00 0.00 C ATOM 716 O GLU A 45 -13.632 -5.863 -2.632 1.00 0.00 O ATOM 717 CB GLU A 45 -14.860 -6.216 -5.672 1.00 0.00 C ATOM 718 CG GLU A 45 -15.219 -7.555 -5.079 1.00 0.00 C ATOM 719 CD GLU A 45 -15.188 -8.669 -6.098 1.00 0.00 C ATOM 720 OE1 GLU A 45 -16.178 -8.823 -6.845 1.00 0.00 O ATOM 721 OE2 GLU A 45 -14.171 -9.397 -6.151 1.00 0.00 O ATOM 0 H GLU A 45 -14.622 -3.864 -6.321 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.596 -5.086 -4.000 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.627 -5.930 -6.392 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.925 -6.312 -6.224 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.526 -7.788 -4.271 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.214 -7.498 -4.639 1.00 0.00 H new ATOM 728 N ASN A 46 -12.312 -5.042 -4.251 1.00 0.00 N ATOM 729 CA ASN A 46 -11.089 -5.249 -3.481 1.00 0.00 C ATOM 730 C ASN A 46 -10.887 -4.116 -2.490 1.00 0.00 C ATOM 731 O ASN A 46 -10.196 -4.273 -1.483 1.00 0.00 O ATOM 732 CB ASN A 46 -9.867 -5.334 -4.403 1.00 0.00 C ATOM 733 CG ASN A 46 -9.829 -6.595 -5.244 1.00 0.00 C ATOM 734 OD1 ASN A 46 -10.863 -7.175 -5.579 1.00 0.00 O ATOM 735 ND2 ASN A 46 -8.629 -7.023 -5.598 1.00 0.00 N ATOM 0 H ASN A 46 -12.170 -4.636 -5.176 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.193 -6.191 -2.942 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.859 -4.467 -5.063 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.962 -5.283 -3.798 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.535 -7.863 -6.170 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.797 -6.514 -5.300 1.00 0.00 H new ATOM 742 N GLY A 47 -11.502 -2.974 -2.780 1.00 0.00 N ATOM 743 CA GLY A 47 -11.397 -1.808 -1.916 1.00 0.00 C ATOM 744 C GLY A 47 -10.046 -1.116 -2.015 1.00 0.00 C ATOM 745 O GLY A 47 -9.956 0.110 -1.914 1.00 0.00 O ATOM 0 H GLY A 47 -12.079 -2.833 -3.609 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.183 -1.098 -2.175 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.569 -2.111 -0.883 1.00 0.00 H new ATOM 749 N ASP A 48 -8.998 -1.902 -2.215 1.00 0.00 N ATOM 750 CA ASP A 48 -7.652 -1.399 -2.284 1.00 0.00 C ATOM 751 C ASP A 48 -6.962 -1.859 -3.556 1.00 0.00 C ATOM 752 O ASP A 48 -7.429 -2.776 -4.233 1.00 0.00 O ATOM 753 CB ASP A 48 -6.863 -1.935 -1.099 1.00 0.00 C ATOM 754 CG ASP A 48 -7.367 -1.436 0.233 1.00 0.00 C ATOM 755 OD1 ASP A 48 -7.193 -0.240 0.526 1.00 0.00 O ATOM 756 OD2 ASP A 48 -7.916 -2.246 1.008 1.00 0.00 O ATOM 0 H ASP A 48 -9.068 -2.913 -2.334 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.693 -0.310 -2.272 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -6.902 -3.024 -1.109 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.816 -1.653 -1.212 1.00 0.00 H new ATOM 761 N VAL A 49 -5.852 -1.211 -3.878 1.00 0.00 N ATOM 762 CA VAL A 49 -4.938 -1.727 -4.879 1.00 0.00 C ATOM 763 C VAL A 49 -3.590 -1.975 -4.232 1.00 0.00 C ATOM 764 O VAL A 49 -2.872 -1.037 -3.896 1.00 0.00 O ATOM 765 CB VAL A 49 -4.774 -0.803 -6.094 1.00 0.00 C ATOM 766 CG1 VAL A 49 -3.935 -1.484 -7.167 1.00 0.00 C ATOM 767 CG2 VAL A 49 -6.132 -0.413 -6.647 1.00 0.00 C ATOM 0 H VAL A 49 -5.565 -0.327 -3.459 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.366 -2.655 -5.259 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.258 0.103 -5.776 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.827 -0.817 -8.022 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.950 -1.719 -6.764 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.426 -2.404 -7.484 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.000 0.242 -7.508 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.672 -1.309 -6.953 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.702 0.109 -5.878 1.00 0.00 H new ATOM 777 N HIS A 50 -3.280 -3.243 -4.031 1.00 0.00 N ATOM 778 CA HIS A 50 -2.072 -3.649 -3.334 1.00 0.00 C ATOM 779 C HIS A 50 -0.852 -3.463 -4.225 1.00 0.00 C ATOM 780 O HIS A 50 -0.484 -4.351 -4.994 1.00 0.00 O ATOM 781 CB HIS A 50 -2.203 -5.113 -2.906 1.00 0.00 C ATOM 782 CG HIS A 50 -1.137 -5.586 -1.969 1.00 0.00 C ATOM 783 ND1 HIS A 50 -0.486 -6.788 -2.122 1.00 0.00 N ATOM 784 CD2 HIS A 50 -0.634 -5.029 -0.842 1.00 0.00 C ATOM 785 CE1 HIS A 50 0.369 -6.954 -1.130 1.00 0.00 C ATOM 786 NE2 HIS A 50 0.300 -5.898 -0.341 1.00 0.00 N ATOM 0 H HIS A 50 -3.859 -4.021 -4.346 1.00 0.00 H new ATOM 0 HA HIS A 50 -1.942 -3.025 -2.450 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -3.174 -5.253 -2.431 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -2.190 -5.741 -3.797 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -0.916 -4.077 -0.417 1.00 0.00 H new ATOM 0 HE1 HIS A 50 1.015 -7.808 -0.988 1.00 0.00 H new ATOM 0 HE2 HIS A 50 0.852 -5.752 0.504 1.00 0.00 H new ATOM 795 N VAL A 51 -0.237 -2.302 -4.117 1.00 0.00 N ATOM 796 CA VAL A 51 0.960 -1.994 -4.874 1.00 0.00 C ATOM 797 C VAL A 51 2.139 -1.803 -3.935 1.00 0.00 C ATOM 798 O VAL A 51 2.079 -1.013 -2.990 1.00 0.00 O ATOM 799 CB VAL A 51 0.782 -0.735 -5.748 1.00 0.00 C ATOM 800 CG1 VAL A 51 0.000 -1.040 -7.005 1.00 0.00 C ATOM 801 CG2 VAL A 51 0.075 0.354 -4.981 1.00 0.00 C ATOM 0 H VAL A 51 -0.551 -1.549 -3.505 1.00 0.00 H new ATOM 0 HA VAL A 51 1.151 -2.837 -5.538 1.00 0.00 H new ATOM 0 HB VAL A 51 1.780 -0.396 -6.027 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.107 -0.131 -7.597 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.529 -1.793 -7.589 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.987 -1.416 -6.737 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.039 1.232 -5.617 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.908 0.001 -4.670 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.661 0.618 -4.100 1.00 0.00 H new ATOM 811 N LEU A 52 3.197 -2.552 -4.178 1.00 0.00 N ATOM 812 CA LEU A 52 4.395 -2.459 -3.367 1.00 0.00 C ATOM 813 C LEU A 52 5.522 -1.845 -4.184 1.00 0.00 C ATOM 814 O LEU A 52 5.769 -2.254 -5.319 1.00 0.00 O ATOM 815 CB LEU A 52 4.806 -3.843 -2.846 1.00 0.00 C ATOM 816 CG LEU A 52 3.701 -4.628 -2.131 1.00 0.00 C ATOM 817 CD1 LEU A 52 4.248 -5.930 -1.567 1.00 0.00 C ATOM 818 CD2 LEU A 52 3.074 -3.796 -1.024 1.00 0.00 C ATOM 0 H LEU A 52 3.251 -3.235 -4.934 1.00 0.00 H new ATOM 0 HA LEU A 52 4.188 -1.821 -2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.166 -4.437 -3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.644 -3.721 -2.160 1.00 0.00 H new ATOM 0 HG LEU A 52 2.928 -4.863 -2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.448 -6.473 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.645 -6.540 -2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.043 -5.712 -0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.293 -4.375 -0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.838 -3.525 -0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.641 -2.891 -1.450 1.00 0.00 H new ATOM 830 N THR A 53 6.195 -0.864 -3.613 1.00 0.00 N ATOM 831 CA THR A 53 7.246 -0.144 -4.314 1.00 0.00 C ATOM 832 C THR A 53 8.394 0.156 -3.358 1.00 0.00 C ATOM 833 O THR A 53 8.276 -0.099 -2.161 1.00 0.00 O ATOM 834 CB THR A 53 6.703 1.175 -4.918 1.00 0.00 C ATOM 835 OG1 THR A 53 7.719 1.844 -5.677 1.00 0.00 O ATOM 836 CG2 THR A 53 6.185 2.107 -3.829 1.00 0.00 C ATOM 0 H THR A 53 6.032 -0.544 -2.658 1.00 0.00 H new ATOM 0 HA THR A 53 7.608 -0.771 -5.129 1.00 0.00 H new ATOM 0 HB THR A 53 5.876 0.915 -5.579 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.355 2.673 -6.051 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.810 3.024 -4.283 1.00 0.00 H new ATOM 0 HG22 THR A 53 5.379 1.617 -3.284 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.995 2.348 -3.140 1.00 0.00 H new ATOM 844 N ILE A 54 9.500 0.670 -3.888 1.00 0.00 N ATOM 845 CA ILE A 54 10.652 1.036 -3.073 1.00 0.00 C ATOM 846 C ILE A 54 10.626 2.531 -2.747 1.00 0.00 C ATOM 847 O ILE A 54 10.527 3.379 -3.635 1.00 0.00 O ATOM 848 CB ILE A 54 11.989 0.622 -3.760 1.00 0.00 C ATOM 849 CG1 ILE A 54 12.493 -0.688 -3.154 1.00 0.00 C ATOM 850 CG2 ILE A 54 13.064 1.693 -3.636 1.00 0.00 C ATOM 851 CD1 ILE A 54 13.671 -1.286 -3.890 1.00 0.00 C ATOM 0 H ILE A 54 9.622 0.843 -4.886 1.00 0.00 H new ATOM 0 HA ILE A 54 10.592 0.486 -2.134 1.00 0.00 H new ATOM 0 HB ILE A 54 11.783 0.492 -4.822 1.00 0.00 H new ATOM 0 HG12 ILE A 54 12.776 -0.513 -2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.677 -1.411 -3.144 1.00 0.00 H new ATOM 0 HG21 ILE A 54 13.974 1.354 -4.131 1.00 0.00 H new ATOM 0 HG22 ILE A 54 12.717 2.613 -4.106 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.272 1.879 -2.582 1.00 0.00 H new ATOM 0 HD11 ILE A 54 13.972 -2.213 -3.402 1.00 0.00 H new ATOM 0 HD12 ILE A 54 13.388 -1.494 -4.922 1.00 0.00 H new ATOM 0 HD13 ILE A 54 14.503 -0.582 -3.877 1.00 0.00 H new ATOM 863 N CYS A 55 10.676 2.830 -1.454 1.00 0.00 N ATOM 864 CA CYS A 55 10.648 4.204 -0.963 1.00 0.00 C ATOM 865 C CYS A 55 12.057 4.800 -0.894 1.00 0.00 C ATOM 866 O CYS A 55 13.024 4.190 -1.352 1.00 0.00 O ATOM 867 CB CYS A 55 9.991 4.263 0.422 1.00 0.00 C ATOM 868 SG CYS A 55 10.983 3.554 1.763 1.00 0.00 S ATOM 0 H CYS A 55 10.737 2.128 -0.717 1.00 0.00 H new ATOM 0 HA CYS A 55 10.061 4.795 -1.666 1.00 0.00 H new ATOM 0 HB2 CYS A 55 9.773 5.304 0.661 1.00 0.00 H new ATOM 0 HB3 CYS A 55 9.036 3.739 0.379 1.00 0.00 H new ATOM 873 N GLU A 56 12.160 5.988 -0.304 1.00 0.00 N ATOM 874 CA GLU A 56 13.422 6.714 -0.201 1.00 0.00 C ATOM 875 C GLU A 56 14.483 5.903 0.552 1.00 0.00 C ATOM 876 O GLU A 56 15.582 5.676 0.041 1.00 0.00 O ATOM 877 CB GLU A 56 13.182 8.037 0.526 1.00 0.00 C ATOM 878 CG GLU A 56 14.363 8.987 0.490 1.00 0.00 C ATOM 879 CD GLU A 56 14.666 9.479 -0.907 1.00 0.00 C ATOM 880 OE1 GLU A 56 15.662 9.017 -1.505 1.00 0.00 O ATOM 881 OE2 GLU A 56 13.913 10.336 -1.415 1.00 0.00 O ATOM 0 H GLU A 56 11.369 6.475 0.117 1.00 0.00 H new ATOM 0 HA GLU A 56 13.793 6.895 -1.210 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.318 8.532 0.082 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.930 7.827 1.565 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.159 9.841 1.136 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.242 8.485 0.894 1.00 0.00 H new ATOM 888 N ASP A 57 14.126 5.459 1.759 1.00 0.00 N ATOM 889 CA ASP A 57 15.063 4.780 2.663 1.00 0.00 C ATOM 890 C ASP A 57 15.793 3.617 1.991 1.00 0.00 C ATOM 891 O ASP A 57 17.018 3.527 2.054 1.00 0.00 O ATOM 892 CB ASP A 57 14.323 4.271 3.903 1.00 0.00 C ATOM 893 CG ASP A 57 15.175 3.344 4.755 1.00 0.00 C ATOM 894 OD1 ASP A 57 16.092 3.832 5.451 1.00 0.00 O ATOM 895 OD2 ASP A 57 14.921 2.122 4.742 1.00 0.00 O ATOM 0 H ASP A 57 13.184 5.558 2.138 1.00 0.00 H new ATOM 0 HA ASP A 57 15.814 5.516 2.949 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.005 5.122 4.506 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.420 3.745 3.592 1.00 0.00 H new ATOM 900 N CYS A 58 15.044 2.743 1.338 1.00 0.00 N ATOM 901 CA CYS A 58 15.625 1.547 0.752 1.00 0.00 C ATOM 902 C CYS A 58 16.427 1.884 -0.502 1.00 0.00 C ATOM 903 O CYS A 58 17.565 1.464 -0.619 1.00 0.00 O ATOM 904 CB CYS A 58 14.535 0.527 0.454 1.00 0.00 C ATOM 905 SG CYS A 58 13.067 1.257 -0.272 1.00 0.00 S ATOM 0 H CYS A 58 14.038 2.839 1.201 1.00 0.00 H new ATOM 0 HA CYS A 58 16.317 1.109 1.472 1.00 0.00 H new ATOM 0 HB2 CYS A 58 14.930 -0.230 -0.223 1.00 0.00 H new ATOM 0 HB3 CYS A 58 14.261 0.017 1.377 1.00 0.00 H new ATOM 910 N GLN A 59 15.843 2.677 -1.408 1.00 0.00 N ATOM 911 CA GLN A 59 16.518 3.139 -2.623 1.00 0.00 C ATOM 912 C GLN A 59 17.902 3.707 -2.316 1.00 0.00 C ATOM 913 O GLN A 59 18.810 3.625 -3.140 1.00 0.00 O ATOM 914 CB GLN A 59 15.667 4.202 -3.329 1.00 0.00 C ATOM 915 CG GLN A 59 16.232 4.680 -4.675 1.00 0.00 C ATOM 916 CD GLN A 59 17.378 5.692 -4.588 1.00 0.00 C ATOM 917 OE1 GLN A 59 17.312 6.632 -3.650 1.00 0.00 O flip ATOM 918 NE2 GLN A 59 18.296 5.658 -5.409 1.00 0.00 N flip ATOM 0 H GLN A 59 14.885 3.017 -1.317 1.00 0.00 H new ATOM 0 HA GLN A 59 16.644 2.277 -3.279 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.667 3.800 -3.491 1.00 0.00 H new ATOM 0 HB3 GLN A 59 15.561 5.062 -2.668 1.00 0.00 H new ATOM 0 HG2 GLN A 59 16.580 3.810 -5.232 1.00 0.00 H new ATOM 0 HG3 GLN A 59 15.421 5.125 -5.252 1.00 0.00 H new ATOM 0 HE21 GLN A 59 18.320 4.924 -6.117 1.00 0.00 H new ATOM 0 HE22 GLN A 59 19.032 6.363 -5.380 1.00 0.00 H new ATOM 927 N GLU A 60 18.062 4.303 -1.153 1.00 0.00 N ATOM 928 CA GLU A 60 19.331 4.885 -0.796 1.00 0.00 C ATOM 929 C GLU A 60 20.367 3.804 -0.529 1.00 0.00 C ATOM 930 O GLU A 60 21.462 3.825 -1.091 1.00 0.00 O ATOM 931 CB GLU A 60 19.161 5.755 0.430 1.00 0.00 C ATOM 932 CG GLU A 60 20.153 6.881 0.518 1.00 0.00 C ATOM 933 CD GLU A 60 19.982 7.718 1.766 1.00 0.00 C ATOM 934 OE1 GLU A 60 19.993 7.148 2.875 1.00 0.00 O ATOM 935 OE2 GLU A 60 19.861 8.952 1.644 1.00 0.00 O ATOM 0 H GLU A 60 17.333 4.395 -0.446 1.00 0.00 H new ATOM 0 HA GLU A 60 19.683 5.494 -1.629 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.153 6.170 0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 60 19.252 5.133 1.321 1.00 0.00 H new ATOM 0 HG2 GLU A 60 21.163 6.472 0.496 1.00 0.00 H new ATOM 0 HG3 GLU A 60 20.049 7.520 -0.359 1.00 0.00 H new ATOM 942 N ALA A 61 20.007 2.873 0.343 1.00 0.00 N ATOM 943 CA ALA A 61 20.809 1.684 0.598 1.00 0.00 C ATOM 944 C ALA A 61 21.014 0.920 -0.696 1.00 0.00 C ATOM 945 O ALA A 61 22.029 0.257 -0.914 1.00 0.00 O ATOM 946 CB ALA A 61 20.103 0.807 1.612 1.00 0.00 C ATOM 0 H ALA A 61 19.150 2.920 0.894 1.00 0.00 H new ATOM 0 HA ALA A 61 21.781 1.978 0.994 1.00 0.00 H new ATOM 0 HB1 ALA A 61 20.703 -0.083 1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 61 19.969 1.361 2.541 1.00 0.00 H new ATOM 0 HB3 ALA A 61 19.129 0.511 1.222 1.00 0.00 H new ATOM 952 N LEU A 62 20.004 1.037 -1.528 1.00 0.00 N ATOM 953 CA LEU A 62 19.941 0.394 -2.830 1.00 0.00 C ATOM 954 C LEU A 62 21.031 0.924 -3.742 1.00 0.00 C ATOM 955 O LEU A 62 21.891 0.182 -4.221 1.00 0.00 O ATOM 956 CB LEU A 62 18.591 0.748 -3.429 1.00 0.00 C ATOM 957 CG LEU A 62 17.500 -0.319 -3.429 1.00 0.00 C ATOM 958 CD1 LEU A 62 17.678 -1.264 -4.585 1.00 0.00 C ATOM 959 CD2 LEU A 62 17.461 -1.091 -2.119 1.00 0.00 C ATOM 0 H LEU A 62 19.178 1.597 -1.316 1.00 0.00 H new ATOM 0 HA LEU A 62 20.074 -0.683 -2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 62 18.207 1.617 -2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 62 18.755 1.056 -4.462 1.00 0.00 H new ATOM 0 HG LEU A 62 16.546 0.197 -3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 62 16.889 -2.016 -4.565 1.00 0.00 H new ATOM 0 HD12 LEU A 62 17.625 -0.708 -5.521 1.00 0.00 H new ATOM 0 HD13 LEU A 62 18.649 -1.754 -4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 62 16.670 -1.840 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 62 18.420 -1.584 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.265 -0.403 -1.297 1.00 0.00 H new ATOM 971 N ASP A 63 20.962 2.222 -3.978 1.00 0.00 N ATOM 972 CA ASP A 63 21.963 2.929 -4.762 1.00 0.00 C ATOM 973 C ASP A 63 23.347 2.776 -4.125 1.00 0.00 C ATOM 974 O ASP A 63 24.343 2.576 -4.825 1.00 0.00 O ATOM 975 CB ASP A 63 21.566 4.404 -4.907 1.00 0.00 C ATOM 976 CG ASP A 63 22.701 5.277 -5.396 1.00 0.00 C ATOM 977 OD1 ASP A 63 22.865 5.416 -6.627 1.00 0.00 O ATOM 978 OD2 ASP A 63 23.414 5.852 -4.555 1.00 0.00 O ATOM 0 H ASP A 63 20.210 2.818 -3.632 1.00 0.00 H new ATOM 0 HA ASP A 63 22.013 2.494 -5.760 1.00 0.00 H new ATOM 0 HB2 ASP A 63 20.729 4.483 -5.601 1.00 0.00 H new ATOM 0 HB3 ASP A 63 21.217 4.777 -3.944 1.00 0.00 H new ATOM 983 N ARG A 64 23.387 2.866 -2.792 1.00 0.00 N ATOM 984 CA ARG A 64 24.548 2.484 -1.996 1.00 0.00 C ATOM 985 C ARG A 64 25.736 3.441 -2.169 1.00 0.00 C ATOM 986 O ARG A 64 26.803 3.223 -1.592 1.00 0.00 O ATOM 987 CB ARG A 64 24.954 1.047 -2.339 1.00 0.00 C ATOM 988 CG ARG A 64 25.929 0.441 -1.356 1.00 0.00 C ATOM 989 CD ARG A 64 26.417 -0.923 -1.817 1.00 0.00 C ATOM 990 NE ARG A 64 27.145 -0.855 -3.084 1.00 0.00 N ATOM 991 CZ ARG A 64 27.190 -1.853 -3.968 1.00 0.00 C ATOM 992 NH1 ARG A 64 26.527 -2.978 -3.738 1.00 0.00 N ATOM 993 NH2 ARG A 64 27.892 -1.726 -5.087 1.00 0.00 N ATOM 0 H ARG A 64 22.605 3.210 -2.234 1.00 0.00 H new ATOM 0 HA ARG A 64 24.259 2.547 -0.947 1.00 0.00 H new ATOM 0 HB2 ARG A 64 24.059 0.426 -2.380 1.00 0.00 H new ATOM 0 HB3 ARG A 64 25.398 1.032 -3.334 1.00 0.00 H new ATOM 0 HG2 ARG A 64 26.781 1.109 -1.230 1.00 0.00 H new ATOM 0 HG3 ARG A 64 25.451 0.346 -0.381 1.00 0.00 H new ATOM 0 HD2 ARG A 64 27.064 -1.352 -1.052 1.00 0.00 H new ATOM 0 HD3 ARG A 64 25.564 -1.593 -1.926 1.00 0.00 H new ATOM 0 HE ARG A 64 27.647 0.005 -3.304 1.00 0.00 H new ATOM 0 HH11 ARG A 64 25.980 -3.082 -2.883 1.00 0.00 H new ATOM 0 HH12 ARG A 64 26.563 -3.739 -4.416 1.00 0.00 H new ATOM 0 HH21 ARG A 64 28.401 -0.862 -5.275 1.00 0.00 H new ATOM 0 HH22 ARG A 64 27.923 -2.492 -5.759 1.00 0.00 H new ATOM 1007 N ASN A 65 25.557 4.507 -2.933 1.00 0.00 N ATOM 1008 CA ASN A 65 26.658 5.432 -3.189 1.00 0.00 C ATOM 1009 C ASN A 65 26.851 6.450 -2.050 1.00 0.00 C ATOM 1010 O ASN A 65 27.979 6.618 -1.577 1.00 0.00 O ATOM 1011 CB ASN A 65 26.483 6.142 -4.536 1.00 0.00 C ATOM 1012 CG ASN A 65 27.692 6.974 -4.913 1.00 0.00 C ATOM 1013 OD1 ASN A 65 27.773 8.158 -4.590 1.00 0.00 O ATOM 1014 ND2 ASN A 65 28.636 6.361 -5.604 1.00 0.00 N ATOM 0 H ASN A 65 24.675 4.754 -3.382 1.00 0.00 H new ATOM 0 HA ASN A 65 27.566 4.831 -3.233 1.00 0.00 H new ATOM 0 HB2 ASN A 65 26.299 5.400 -5.313 1.00 0.00 H new ATOM 0 HB3 ASN A 65 25.603 6.784 -4.494 1.00 0.00 H new ATOM 0 HD21 ASN A 65 29.472 6.871 -5.890 1.00 0.00 H new ATOM 0 HD22 ASN A 65 28.530 5.377 -5.852 1.00 0.00 H new ATOM 1021 N PRO A 66 25.784 7.136 -1.566 1.00 0.00 N ATOM 1022 CA PRO A 66 25.929 8.137 -0.503 1.00 0.00 C ATOM 1023 C PRO A 66 26.320 7.497 0.824 1.00 0.00 C ATOM 1024 O PRO A 66 27.351 7.829 1.408 1.00 0.00 O ATOM 1025 CB PRO A 66 24.537 8.782 -0.392 1.00 0.00 C ATOM 1026 CG PRO A 66 23.787 8.328 -1.598 1.00 0.00 C ATOM 1027 CD PRO A 66 24.380 7.004 -1.981 1.00 0.00 C ATOM 0 HA PRO A 66 26.716 8.856 -0.733 1.00 0.00 H new ATOM 0 HB2 PRO A 66 24.033 8.471 0.523 1.00 0.00 H new ATOM 0 HB3 PRO A 66 24.610 9.869 -0.362 1.00 0.00 H new ATOM 0 HG2 PRO A 66 22.723 8.231 -1.382 1.00 0.00 H new ATOM 0 HG3 PRO A 66 23.883 9.048 -2.411 1.00 0.00 H new ATOM 0 HD2 PRO A 66 23.885 6.178 -1.471 1.00 0.00 H new ATOM 0 HD3 PRO A 66 24.292 6.817 -3.051 1.00 0.00 H new ATOM 1035 N HIS A 67 25.491 6.568 1.287 1.00 0.00 N ATOM 1036 CA HIS A 67 25.752 5.833 2.509 1.00 0.00 C ATOM 1037 C HIS A 67 24.778 4.671 2.606 1.00 0.00 C ATOM 1038 O HIS A 67 23.673 4.734 2.064 1.00 0.00 O ATOM 1039 CB HIS A 67 25.638 6.737 3.754 1.00 0.00 C ATOM 1040 CG HIS A 67 24.234 7.108 4.139 1.00 0.00 C ATOM 1041 ND1 HIS A 67 23.623 6.642 5.279 1.00 0.00 N ATOM 1042 CD2 HIS A 67 23.327 7.908 3.532 1.00 0.00 C ATOM 1043 CE1 HIS A 67 22.402 7.136 5.357 1.00 0.00 C ATOM 1044 NE2 HIS A 67 22.194 7.909 4.307 1.00 0.00 N ATOM 0 H HIS A 67 24.621 6.307 0.823 1.00 0.00 H new ATOM 0 HA HIS A 67 26.775 5.458 2.477 1.00 0.00 H new ATOM 0 HB2 HIS A 67 26.109 6.231 4.597 1.00 0.00 H new ATOM 0 HB3 HIS A 67 26.204 7.651 3.574 1.00 0.00 H new ATOM 0 HD2 HIS A 67 23.469 8.447 2.607 1.00 0.00 H new ATOM 0 HE1 HIS A 67 21.692 6.941 6.147 1.00 0.00 H new ATOM 0 HE2 HIS A 67 21.335 8.421 4.105 1.00 0.00 H new ATOM 1053 N TYR A 68 25.200 3.616 3.270 1.00 0.00 N ATOM 1054 CA TYR A 68 24.364 2.444 3.481 1.00 0.00 C ATOM 1055 C TYR A 68 24.802 1.747 4.760 1.00 0.00 C ATOM 1056 O TYR A 68 25.807 2.133 5.363 1.00 0.00 O ATOM 1057 CB TYR A 68 24.475 1.486 2.286 1.00 0.00 C ATOM 1058 CG TYR A 68 25.787 0.727 2.210 1.00 0.00 C ATOM 1059 CD1 TYR A 68 25.826 -0.642 2.445 1.00 0.00 C ATOM 1060 CD2 TYR A 68 26.981 1.372 1.905 1.00 0.00 C ATOM 1061 CE1 TYR A 68 27.012 -1.345 2.379 1.00 0.00 C ATOM 1062 CE2 TYR A 68 28.172 0.674 1.837 1.00 0.00 C ATOM 1063 CZ TYR A 68 28.182 -0.685 2.075 1.00 0.00 C ATOM 1064 OH TYR A 68 29.364 -1.389 2.009 1.00 0.00 O ATOM 0 H TYR A 68 26.131 3.542 3.680 1.00 0.00 H new ATOM 0 HA TYR A 68 23.322 2.752 3.573 1.00 0.00 H new ATOM 0 HB2 TYR A 68 23.656 0.768 2.334 1.00 0.00 H new ATOM 0 HB3 TYR A 68 24.345 2.056 1.366 1.00 0.00 H new ATOM 0 HD1 TYR A 68 24.912 -1.165 2.684 1.00 0.00 H new ATOM 0 HD2 TYR A 68 26.977 2.436 1.718 1.00 0.00 H new ATOM 0 HE1 TYR A 68 27.022 -2.409 2.565 1.00 0.00 H new ATOM 0 HE2 TYR A 68 29.090 1.190 1.599 1.00 0.00 H new ATOM 0 HH TYR A 68 30.096 -0.778 1.783 1.00 0.00 H new ATOM 1074 N HIS A 69 24.059 0.735 5.184 1.00 0.00 N ATOM 1075 CA HIS A 69 24.449 -0.037 6.352 1.00 0.00 C ATOM 1076 C HIS A 69 25.573 -0.997 5.993 1.00 0.00 C ATOM 1077 O HIS A 69 25.342 -2.144 5.612 1.00 0.00 O ATOM 1078 CB HIS A 69 23.258 -0.787 6.957 1.00 0.00 C ATOM 1079 CG HIS A 69 22.426 0.057 7.876 1.00 0.00 C ATOM 1080 ND1 HIS A 69 21.870 -0.418 9.044 1.00 0.00 N ATOM 1081 CD2 HIS A 69 22.056 1.355 7.790 1.00 0.00 C ATOM 1082 CE1 HIS A 69 21.197 0.553 9.634 1.00 0.00 C ATOM 1083 NE2 HIS A 69 21.293 1.639 8.894 1.00 0.00 N ATOM 0 H HIS A 69 23.191 0.432 4.741 1.00 0.00 H new ATOM 0 HA HIS A 69 24.810 0.657 7.111 1.00 0.00 H new ATOM 0 HB2 HIS A 69 22.628 -1.163 6.151 1.00 0.00 H new ATOM 0 HB3 HIS A 69 23.625 -1.654 7.505 1.00 0.00 H new ATOM 0 HD2 HIS A 69 22.314 2.042 6.998 1.00 0.00 H new ATOM 0 HE1 HIS A 69 20.658 0.471 10.566 1.00 0.00 H new ATOM 0 HE2 HIS A 69 20.870 2.542 9.107 1.00 0.00 H new ATOM 1092 N GLU A 70 26.794 -0.495 6.108 1.00 0.00 N ATOM 1093 CA GLU A 70 27.998 -1.247 5.772 1.00 0.00 C ATOM 1094 C GLU A 70 28.224 -2.416 6.720 1.00 0.00 C ATOM 1095 O GLU A 70 28.996 -3.325 6.422 1.00 0.00 O ATOM 1096 CB GLU A 70 29.211 -0.314 5.782 1.00 0.00 C ATOM 1097 CG GLU A 70 29.321 0.536 7.040 1.00 0.00 C ATOM 1098 CD GLU A 70 30.576 1.377 7.068 1.00 0.00 C ATOM 1099 OE1 GLU A 70 31.551 0.973 7.735 1.00 0.00 O ATOM 1100 OE2 GLU A 70 30.596 2.447 6.423 1.00 0.00 O ATOM 0 H GLU A 70 26.980 0.452 6.439 1.00 0.00 H new ATOM 0 HA GLU A 70 27.863 -1.662 4.773 1.00 0.00 H new ATOM 0 HB2 GLU A 70 30.117 -0.910 5.677 1.00 0.00 H new ATOM 0 HB3 GLU A 70 29.160 0.343 4.914 1.00 0.00 H new ATOM 0 HG2 GLU A 70 28.450 1.188 7.110 1.00 0.00 H new ATOM 0 HG3 GLU A 70 29.304 -0.114 7.915 1.00 0.00 H new ATOM 1107 N TYR A 71 27.555 -2.390 7.855 1.00 0.00 N ATOM 1108 CA TYR A 71 27.686 -3.456 8.828 1.00 0.00 C ATOM 1109 C TYR A 71 26.548 -4.460 8.678 1.00 0.00 C ATOM 1110 O TYR A 71 26.675 -5.622 9.068 1.00 0.00 O ATOM 1111 CB TYR A 71 27.697 -2.879 10.238 1.00 0.00 C ATOM 1112 CG TYR A 71 28.155 -3.866 11.276 1.00 0.00 C ATOM 1113 CD1 TYR A 71 29.494 -4.196 11.383 1.00 0.00 C ATOM 1114 CD2 TYR A 71 27.253 -4.466 12.141 1.00 0.00 C ATOM 1115 CE1 TYR A 71 29.929 -5.105 12.327 1.00 0.00 C ATOM 1116 CE2 TYR A 71 27.676 -5.375 13.090 1.00 0.00 C ATOM 1117 CZ TYR A 71 29.015 -5.691 13.178 1.00 0.00 C ATOM 1118 OH TYR A 71 29.442 -6.601 14.118 1.00 0.00 O ATOM 0 H TYR A 71 26.916 -1.643 8.126 1.00 0.00 H new ATOM 0 HA TYR A 71 28.629 -3.974 8.651 1.00 0.00 H new ATOM 0 HB2 TYR A 71 28.350 -2.006 10.262 1.00 0.00 H new ATOM 0 HB3 TYR A 71 26.694 -2.534 10.491 1.00 0.00 H new ATOM 0 HD1 TYR A 71 30.210 -3.736 10.718 1.00 0.00 H new ATOM 0 HD2 TYR A 71 26.204 -4.219 12.071 1.00 0.00 H new ATOM 0 HE1 TYR A 71 30.977 -5.355 12.399 1.00 0.00 H new ATOM 0 HE2 TYR A 71 26.963 -5.835 13.758 1.00 0.00 H new ATOM 0 HH TYR A 71 28.674 -6.919 14.638 1.00 0.00 H new ATOM 1128 N HIS A 72 25.447 -4.006 8.100 1.00 0.00 N ATOM 1129 CA HIS A 72 24.271 -4.840 7.909 1.00 0.00 C ATOM 1130 C HIS A 72 23.651 -4.533 6.553 1.00 0.00 C ATOM 1131 O HIS A 72 22.665 -3.804 6.461 1.00 0.00 O ATOM 1132 CB HIS A 72 23.256 -4.587 9.027 1.00 0.00 C ATOM 1133 CG HIS A 72 22.104 -5.545 9.034 1.00 0.00 C ATOM 1134 ND1 HIS A 72 20.999 -5.407 8.221 1.00 0.00 N ATOM 1135 CD2 HIS A 72 21.891 -6.659 9.768 1.00 0.00 C ATOM 1136 CE1 HIS A 72 20.157 -6.393 8.459 1.00 0.00 C ATOM 1137 NE2 HIS A 72 20.675 -7.166 9.392 1.00 0.00 N ATOM 0 H HIS A 72 25.343 -3.053 7.751 1.00 0.00 H new ATOM 0 HA HIS A 72 24.563 -5.890 7.942 1.00 0.00 H new ATOM 0 HB2 HIS A 72 23.768 -4.644 9.988 1.00 0.00 H new ATOM 0 HB3 HIS A 72 22.870 -3.572 8.931 1.00 0.00 H new ATOM 0 HD1 HIS A 72 20.856 -4.659 7.542 1.00 0.00 H new ATOM 0 HD2 HIS A 72 22.555 -7.073 10.512 1.00 0.00 H new ATOM 0 HE1 HIS A 72 19.205 -6.542 7.972 1.00 0.00 H new ATOM 1146 N THR A 73 24.247 -5.076 5.510 1.00 0.00 N ATOM 1147 CA THR A 73 23.833 -4.776 4.154 1.00 0.00 C ATOM 1148 C THR A 73 22.703 -5.702 3.708 1.00 0.00 C ATOM 1149 O THR A 73 22.998 -6.805 3.204 1.00 0.00 O ATOM 1150 CB THR A 73 25.030 -4.904 3.196 1.00 0.00 C ATOM 1151 OG1 THR A 73 26.172 -4.251 3.775 1.00 0.00 O ATOM 1152 CG2 THR A 73 24.721 -4.282 1.842 1.00 0.00 C ATOM 1153 OXT THR A 73 21.522 -5.323 3.873 1.00 0.00 O ATOM 0 H THR A 73 25.025 -5.732 5.577 1.00 0.00 H new ATOM 0 HA THR A 73 23.463 -3.751 4.130 1.00 0.00 H new ATOM 0 HB THR A 73 25.239 -5.963 3.044 1.00 0.00 H new ATOM 0 HG1 THR A 73 25.871 -3.558 4.399 1.00 0.00 H new ATOM 0 HG21 THR A 73 25.586 -4.388 1.187 1.00 0.00 H new ATOM 0 HG22 THR A 73 23.864 -4.787 1.396 1.00 0.00 H new ATOM 0 HG23 THR A 73 24.491 -3.224 1.971 1.00 0.00 H new TER 1161 THR A 73 HETATM 1162 ZN ZN A 101 11.404 1.356 1.295 1.00 0.00 ZN