USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 584 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 47 LYS NZ :NH3+ -141:sc= -0.127 (180deg=-2.66!) USER MOD Set 1.2: A 49 THR OG1 : rot 180:sc= 0.602 USER MOD Set 2.1: A 35 ASN :FLIP amide:sc= -0.462 F(o=-3.8!,f=-1.2) USER MOD Set 2.2: A 43 LYS NZ :NH3+ 138:sc= -0.716 (180deg=-1.36) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0577 (180deg=-0.256) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -2.16 X(o=-2.2,f=-1.9) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 99:sc= 1.22 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.854 USER MOD Single : A 25 MET CE :methyl -169:sc= -0.57 (180deg=-0.969) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -109:sc= 1.02 (180deg=-0.571) USER MOD Single : A 32 THR OG1 : rot 140:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc=-0.000835 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.0765 K(o=-0.076,f=-1.9!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0341 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.801 F(o=-1.4,f=-0.8) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -145:sc= -0.349 (180deg=-1.43!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.894 -9.217 -4.620 1.00 0.00 N ATOM 2 CA MET A 1 0.338 -8.910 -3.903 1.00 0.00 C ATOM 3 C MET A 1 0.864 -7.532 -4.292 1.00 0.00 C ATOM 4 O MET A 1 1.532 -6.866 -3.500 1.00 0.00 O ATOM 5 CB MET A 1 1.399 -9.974 -4.190 1.00 0.00 C ATOM 6 CG MET A 1 2.591 -9.912 -3.249 1.00 0.00 C ATOM 7 SD MET A 1 3.448 -11.492 -3.110 1.00 0.00 S ATOM 8 CE MET A 1 5.153 -10.969 -3.284 1.00 0.00 C ATOM 0 H1 MET A 1 -1.350 -10.046 -4.188 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.538 -8.402 -4.569 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.674 -9.422 -5.616 1.00 0.00 H new ATOM 0 HA MET A 1 0.117 -8.907 -2.836 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.941 -10.961 -4.119 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.750 -9.859 -5.216 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.290 -9.154 -3.603 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.253 -9.598 -2.261 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.808 -11.838 -3.219 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.288 -10.484 -4.251 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.401 -10.267 -2.488 1.00 0.00 H new ATOM 18 N ASP A 2 0.560 -7.111 -5.514 1.00 0.00 N ATOM 19 CA ASP A 2 1.002 -5.812 -6.007 1.00 0.00 C ATOM 20 C ASP A 2 -0.139 -5.079 -6.707 1.00 0.00 C ATOM 21 O ASP A 2 -0.012 -4.672 -7.861 1.00 0.00 O ATOM 22 CB ASP A 2 2.180 -5.981 -6.968 1.00 0.00 C ATOM 23 CG ASP A 2 3.369 -6.655 -6.312 1.00 0.00 C ATOM 24 OD1 ASP A 2 3.376 -7.902 -6.234 1.00 0.00 O ATOM 25 OD2 ASP A 2 4.293 -5.936 -5.877 1.00 0.00 O ATOM 0 H ASP A 2 0.009 -7.650 -6.182 1.00 0.00 H new ATOM 0 HA ASP A 2 1.323 -5.217 -5.152 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.862 -6.569 -7.829 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.482 -5.003 -7.344 1.00 0.00 H new ATOM 30 N GLU A 3 -1.253 -4.916 -5.999 1.00 0.00 N ATOM 31 CA GLU A 3 -2.416 -4.234 -6.554 1.00 0.00 C ATOM 32 C GLU A 3 -2.507 -2.802 -6.034 1.00 0.00 C ATOM 33 O GLU A 3 -3.598 -2.272 -5.825 1.00 0.00 O ATOM 34 CB GLU A 3 -3.696 -4.996 -6.205 1.00 0.00 C ATOM 35 CG GLU A 3 -3.802 -6.351 -6.885 1.00 0.00 C ATOM 36 CD GLU A 3 -4.054 -6.237 -8.376 1.00 0.00 C ATOM 37 OE1 GLU A 3 -5.226 -6.064 -8.769 1.00 0.00 O ATOM 38 OE2 GLU A 3 -3.077 -6.322 -9.150 1.00 0.00 O ATOM 0 H GLU A 3 -1.374 -5.246 -5.042 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.304 -4.203 -7.638 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -3.742 -5.136 -5.125 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -4.558 -4.390 -6.485 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -2.882 -6.910 -6.718 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -4.610 -6.921 -6.426 1.00 0.00 H new ATOM 45 N THR A 4 -1.350 -2.180 -5.826 1.00 0.00 N ATOM 46 CA THR A 4 -1.297 -0.811 -5.329 1.00 0.00 C ATOM 47 C THR A 4 -0.498 0.085 -6.269 1.00 0.00 C ATOM 48 O THR A 4 -0.016 1.145 -5.872 1.00 0.00 O ATOM 49 CB THR A 4 -0.672 -0.747 -3.923 1.00 0.00 C ATOM 50 OG1 THR A 4 0.743 -0.950 -4.006 1.00 0.00 O ATOM 51 CG2 THR A 4 -1.287 -1.797 -3.009 1.00 0.00 C ATOM 0 H THR A 4 -0.437 -2.603 -5.994 1.00 0.00 H new ATOM 0 HA THR A 4 -2.326 -0.454 -5.278 1.00 0.00 H new ATOM 0 HB THR A 4 -0.873 0.239 -3.505 1.00 0.00 H new ATOM 0 HG1 THR A 4 1.133 -0.906 -3.108 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.830 -1.733 -2.022 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.360 -1.622 -2.924 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.113 -2.789 -3.426 1.00 0.00 H new ATOM 59 N GLY A 5 -0.362 -0.348 -7.519 1.00 0.00 N ATOM 60 CA GLY A 5 0.379 0.427 -8.496 1.00 0.00 C ATOM 61 C GLY A 5 -0.413 0.669 -9.766 1.00 0.00 C ATOM 62 O GLY A 5 0.161 0.897 -10.831 1.00 0.00 O ATOM 0 H GLY A 5 -0.752 -1.222 -7.872 1.00 0.00 H new ATOM 0 HA2 GLY A 5 0.659 1.385 -8.058 1.00 0.00 H new ATOM 0 HA3 GLY A 5 1.304 -0.094 -8.742 1.00 0.00 H new ATOM 66 N LYS A 6 -1.736 0.618 -9.655 1.00 0.00 N ATOM 67 CA LYS A 6 -2.609 0.833 -10.802 1.00 0.00 C ATOM 68 C LYS A 6 -2.890 2.319 -11.002 1.00 0.00 C ATOM 69 O LYS A 6 -2.538 2.893 -12.032 1.00 0.00 O ATOM 70 CB LYS A 6 -3.926 0.075 -10.616 1.00 0.00 C ATOM 71 CG LYS A 6 -3.742 -1.350 -10.122 1.00 0.00 C ATOM 72 CD LYS A 6 -2.965 -2.191 -11.121 1.00 0.00 C ATOM 73 CE LYS A 6 -3.764 -2.425 -12.394 1.00 0.00 C ATOM 74 NZ LYS A 6 -3.120 -3.439 -13.273 1.00 0.00 N ATOM 0 H LYS A 6 -2.227 0.429 -8.781 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.101 0.455 -11.689 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.552 0.618 -9.908 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.462 0.056 -11.565 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.216 -1.340 -9.167 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.717 -1.803 -9.944 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.027 -1.693 -11.366 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.709 -3.150 -10.670 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.770 -2.755 -12.136 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.866 -1.485 -12.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.694 -3.571 -14.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.169 -3.113 -13.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.046 -4.343 -12.764 1.00 0.00 H new ATOM 88 N GLU A 7 -3.524 2.935 -10.009 1.00 0.00 N ATOM 89 CA GLU A 7 -3.850 4.355 -10.077 1.00 0.00 C ATOM 90 C GLU A 7 -3.362 5.086 -8.830 1.00 0.00 C ATOM 91 O GLU A 7 -4.097 5.229 -7.852 1.00 0.00 O ATOM 92 CB GLU A 7 -5.360 4.547 -10.235 1.00 0.00 C ATOM 93 CG GLU A 7 -5.826 4.542 -11.681 1.00 0.00 C ATOM 94 CD GLU A 7 -5.649 3.190 -12.346 1.00 0.00 C ATOM 95 OE1 GLU A 7 -6.098 2.180 -11.764 1.00 0.00 O ATOM 96 OE2 GLU A 7 -5.063 3.142 -13.448 1.00 0.00 O ATOM 0 H GLU A 7 -3.822 2.474 -9.149 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.344 4.776 -10.946 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.877 3.755 -9.693 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.648 5.491 -9.772 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.877 4.828 -11.721 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.270 5.294 -12.241 1.00 0.00 H new ATOM 103 N LEU A 8 -2.116 5.546 -8.871 1.00 0.00 N ATOM 104 CA LEU A 8 -1.527 6.262 -7.744 1.00 0.00 C ATOM 105 C LEU A 8 -1.669 7.770 -7.924 1.00 0.00 C ATOM 106 O LEU A 8 -1.633 8.278 -9.045 1.00 0.00 O ATOM 107 CB LEU A 8 -0.051 5.891 -7.594 1.00 0.00 C ATOM 108 CG LEU A 8 0.237 4.494 -7.043 1.00 0.00 C ATOM 109 CD1 LEU A 8 1.577 3.985 -7.552 1.00 0.00 C ATOM 110 CD2 LEU A 8 0.211 4.505 -5.522 1.00 0.00 C ATOM 0 H LEU A 8 -1.494 5.436 -9.672 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.062 5.971 -6.840 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.426 5.980 -8.570 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.422 6.623 -6.939 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.542 3.818 -7.395 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.765 2.990 -7.149 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.559 3.939 -8.641 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.369 4.662 -7.231 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.418 3.503 -5.147 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.968 5.195 -5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.772 4.825 -5.177 1.00 0.00 H new ATOM 122 N VAL A 9 -1.827 8.481 -6.812 1.00 0.00 N ATOM 123 CA VAL A 9 -1.970 9.932 -6.847 1.00 0.00 C ATOM 124 C VAL A 9 -0.951 10.606 -5.935 1.00 0.00 C ATOM 125 O VAL A 9 -0.611 10.084 -4.872 1.00 0.00 O ATOM 126 CB VAL A 9 -3.387 10.366 -6.425 1.00 0.00 C ATOM 127 CG1 VAL A 9 -4.400 9.996 -7.497 1.00 0.00 C ATOM 128 CG2 VAL A 9 -3.759 9.742 -5.088 1.00 0.00 C ATOM 0 H VAL A 9 -1.859 8.076 -5.876 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.794 10.244 -7.877 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.397 11.450 -6.309 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.395 10.310 -7.181 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.141 10.495 -8.430 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.392 8.917 -7.649 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.763 10.059 -4.805 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.732 8.656 -5.173 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.049 10.064 -4.326 1.00 0.00 H new ATOM 138 N LEU A 10 -0.467 11.769 -6.356 1.00 0.00 N ATOM 139 CA LEU A 10 0.514 12.517 -5.577 1.00 0.00 C ATOM 140 C LEU A 10 -0.130 13.728 -4.910 1.00 0.00 C ATOM 141 O LEU A 10 -1.042 14.342 -5.463 1.00 0.00 O ATOM 142 CB LEU A 10 1.669 12.967 -6.473 1.00 0.00 C ATOM 143 CG LEU A 10 2.572 14.063 -5.904 1.00 0.00 C ATOM 144 CD1 LEU A 10 3.311 13.560 -4.674 1.00 0.00 C ATOM 145 CD2 LEU A 10 3.556 14.545 -6.960 1.00 0.00 C ATOM 0 H LEU A 10 -0.738 12.215 -7.233 1.00 0.00 H new ATOM 0 HA LEU A 10 0.901 11.860 -4.798 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.286 12.098 -6.701 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.254 13.320 -7.417 1.00 0.00 H new ATOM 0 HG LEU A 10 1.947 14.905 -5.608 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.948 14.353 -4.283 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.590 13.265 -3.912 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.925 12.701 -4.944 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.190 15.324 -6.538 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.176 13.710 -7.287 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.008 14.946 -7.812 1.00 0.00 H new ATOM 157 N ALA A 11 0.353 14.068 -3.719 1.00 0.00 N ATOM 158 CA ALA A 11 -0.172 15.208 -2.978 1.00 0.00 C ATOM 159 C ALA A 11 0.563 16.491 -3.352 1.00 0.00 C ATOM 160 O ALA A 11 1.793 16.548 -3.313 1.00 0.00 O ATOM 161 CB ALA A 11 -0.070 14.957 -1.481 1.00 0.00 C ATOM 0 H ALA A 11 1.107 13.570 -3.247 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.222 15.330 -3.244 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.466 15.817 -0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.645 14.068 -1.221 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.974 14.806 -1.208 1.00 0.00 H new ATOM 167 N LEU A 12 -0.198 17.518 -3.716 1.00 0.00 N ATOM 168 CA LEU A 12 0.382 18.801 -4.098 1.00 0.00 C ATOM 169 C LEU A 12 0.332 19.788 -2.936 1.00 0.00 C ATOM 170 O LEU A 12 1.114 20.738 -2.882 1.00 0.00 O ATOM 171 CB LEU A 12 -0.360 19.378 -5.305 1.00 0.00 C ATOM 172 CG LEU A 12 -0.491 18.456 -6.517 1.00 0.00 C ATOM 173 CD1 LEU A 12 -1.652 18.891 -7.397 1.00 0.00 C ATOM 174 CD2 LEU A 12 0.806 18.435 -7.313 1.00 0.00 C ATOM 0 H LEU A 12 -1.217 17.487 -3.755 1.00 0.00 H new ATOM 0 HA LEU A 12 1.426 18.636 -4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.361 19.669 -4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.152 20.288 -5.620 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.692 17.446 -6.161 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.729 18.222 -8.254 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.578 18.853 -6.823 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.483 19.910 -7.745 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.695 17.774 -8.172 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.037 19.443 -7.658 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.616 18.074 -6.679 1.00 0.00 H new ATOM 186 N TYR A 13 -0.589 19.556 -2.008 1.00 0.00 N ATOM 187 CA TYR A 13 -0.740 20.425 -0.847 1.00 0.00 C ATOM 188 C TYR A 13 -0.719 19.615 0.446 1.00 0.00 C ATOM 189 O TYR A 13 -0.907 18.398 0.433 1.00 0.00 O ATOM 190 CB TYR A 13 -2.045 21.218 -0.944 1.00 0.00 C ATOM 191 CG TYR A 13 -2.091 22.165 -2.122 1.00 0.00 C ATOM 192 CD1 TYR A 13 -2.367 21.701 -3.402 1.00 0.00 C ATOM 193 CD2 TYR A 13 -1.860 23.525 -1.954 1.00 0.00 C ATOM 194 CE1 TYR A 13 -2.410 22.563 -4.480 1.00 0.00 C ATOM 195 CE2 TYR A 13 -1.902 24.395 -3.026 1.00 0.00 C ATOM 196 CZ TYR A 13 -2.177 23.909 -4.288 1.00 0.00 C ATOM 197 OH TYR A 13 -2.220 24.771 -5.359 1.00 0.00 O ATOM 0 H TYR A 13 -1.243 18.773 -2.037 1.00 0.00 H new ATOM 0 HA TYR A 13 0.100 21.120 -0.833 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.880 20.521 -1.016 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.184 21.787 -0.025 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.551 20.648 -3.557 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.644 23.908 -0.968 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.625 22.185 -5.469 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.721 25.449 -2.877 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.035 25.683 -5.052 1.00 0.00 H new ATOM 207 N ASP A 14 -0.490 20.299 1.561 1.00 0.00 N ATOM 208 CA ASP A 14 -0.445 19.646 2.864 1.00 0.00 C ATOM 209 C ASP A 14 -1.846 19.511 3.452 1.00 0.00 C ATOM 210 O ASP A 14 -2.650 20.442 3.387 1.00 0.00 O ATOM 211 CB ASP A 14 0.451 20.432 3.822 1.00 0.00 C ATOM 212 CG ASP A 14 -0.027 21.857 4.024 1.00 0.00 C ATOM 213 OD1 ASP A 14 -0.123 22.597 3.023 1.00 0.00 O ATOM 214 OD2 ASP A 14 -0.303 22.232 5.183 1.00 0.00 O ATOM 0 H ASP A 14 -0.332 21.306 1.589 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.029 18.647 2.729 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.483 19.923 4.785 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.470 20.445 3.434 1.00 0.00 H new ATOM 219 N TYR A 15 -2.133 18.348 4.026 1.00 0.00 N ATOM 220 CA TYR A 15 -3.438 18.090 4.623 1.00 0.00 C ATOM 221 C TYR A 15 -3.299 17.268 5.900 1.00 0.00 C ATOM 222 O TYR A 15 -2.260 16.659 6.149 1.00 0.00 O ATOM 223 CB TYR A 15 -4.342 17.360 3.628 1.00 0.00 C ATOM 224 CG TYR A 15 -5.802 17.368 4.019 1.00 0.00 C ATOM 225 CD1 TYR A 15 -6.525 18.554 4.056 1.00 0.00 C ATOM 226 CD2 TYR A 15 -6.460 16.190 4.349 1.00 0.00 C ATOM 227 CE1 TYR A 15 -7.860 18.566 4.413 1.00 0.00 C ATOM 228 CE2 TYR A 15 -7.795 16.192 4.706 1.00 0.00 C ATOM 229 CZ TYR A 15 -8.490 17.383 4.737 1.00 0.00 C ATOM 230 OH TYR A 15 -9.819 17.391 5.091 1.00 0.00 O ATOM 0 H TYR A 15 -1.479 17.568 4.091 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.890 19.049 4.877 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.235 17.821 2.646 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.005 16.328 3.534 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.035 19.482 3.801 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.919 15.256 4.326 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.407 19.497 4.438 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.291 15.267 4.959 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.111 16.476 5.288 1.00 0.00 H new ATOM 240 N GLN A 16 -4.356 17.257 6.706 1.00 0.00 N ATOM 241 CA GLN A 16 -4.354 16.510 7.958 1.00 0.00 C ATOM 242 C GLN A 16 -5.661 15.747 8.140 1.00 0.00 C ATOM 243 O GLN A 16 -6.704 16.153 7.627 1.00 0.00 O ATOM 244 CB GLN A 16 -4.134 17.456 9.140 1.00 0.00 C ATOM 245 CG GLN A 16 -4.946 18.738 9.053 1.00 0.00 C ATOM 246 CD GLN A 16 -6.439 18.490 9.137 1.00 0.00 C ATOM 247 OE1 GLN A 16 -6.942 17.998 10.148 1.00 0.00 O ATOM 248 NE2 GLN A 16 -7.157 18.830 8.073 1.00 0.00 N ATOM 0 H GLN A 16 -5.224 17.757 6.514 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.537 15.790 7.920 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.390 16.936 10.063 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.076 17.710 9.200 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.647 19.408 9.859 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.718 19.245 8.115 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.699 19.235 7.257 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.167 18.686 8.072 1.00 0.00 H new ATOM 257 N GLU A 17 -5.598 14.639 8.872 1.00 0.00 N ATOM 258 CA GLU A 17 -6.778 13.819 9.119 1.00 0.00 C ATOM 259 C GLU A 17 -7.477 14.245 10.407 1.00 0.00 C ATOM 260 O GLU A 17 -6.859 14.312 11.470 1.00 0.00 O ATOM 261 CB GLU A 17 -6.390 12.341 9.201 1.00 0.00 C ATOM 262 CG GLU A 17 -5.478 12.015 10.371 1.00 0.00 C ATOM 263 CD GLU A 17 -4.710 10.723 10.170 1.00 0.00 C ATOM 264 OE1 GLU A 17 -4.085 10.564 9.101 1.00 0.00 O ATOM 265 OE2 GLU A 17 -4.733 9.871 11.083 1.00 0.00 O ATOM 0 H GLU A 17 -4.743 14.289 9.304 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.469 13.961 8.288 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.296 11.740 9.279 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.895 12.052 8.274 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.773 12.833 10.516 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.073 11.942 11.281 1.00 0.00 H new ATOM 272 N LYS A 18 -8.770 14.533 10.304 1.00 0.00 N ATOM 273 CA LYS A 18 -9.555 14.952 11.458 1.00 0.00 C ATOM 274 C LYS A 18 -10.409 13.802 11.983 1.00 0.00 C ATOM 275 O LYS A 18 -10.759 13.764 13.162 1.00 0.00 O ATOM 276 CB LYS A 18 -10.450 16.138 11.089 1.00 0.00 C ATOM 277 CG LYS A 18 -11.599 15.769 10.167 1.00 0.00 C ATOM 278 CD LYS A 18 -12.011 16.942 9.293 1.00 0.00 C ATOM 279 CE LYS A 18 -12.748 16.476 8.047 1.00 0.00 C ATOM 280 NZ LYS A 18 -13.424 17.604 7.348 1.00 0.00 N ATOM 0 H LYS A 18 -9.297 14.484 9.432 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.864 15.256 12.244 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.854 16.575 12.002 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.842 16.906 10.609 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.306 14.930 9.537 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.452 15.439 10.761 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.649 17.616 9.864 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.127 17.510 9.003 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.044 15.997 7.367 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.487 15.724 8.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.915 17.245 6.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.114 18.046 7.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.716 18.310 7.062 1.00 0.00 H new ATOM 294 N SER A 19 -10.739 12.865 11.099 1.00 0.00 N ATOM 295 CA SER A 19 -11.553 11.715 11.473 1.00 0.00 C ATOM 296 C SER A 19 -10.797 10.412 11.231 1.00 0.00 C ATOM 297 O SER A 19 -9.824 10.360 10.478 1.00 0.00 O ATOM 298 CB SER A 19 -12.863 11.712 10.682 1.00 0.00 C ATOM 299 OG SER A 19 -13.110 12.981 10.101 1.00 0.00 O ATOM 0 H SER A 19 -10.455 12.880 10.119 1.00 0.00 H new ATOM 0 HA SER A 19 -11.779 11.792 12.537 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.818 10.953 9.901 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.689 11.443 11.341 1.00 0.00 H new ATOM 0 HG SER A 19 -12.834 12.970 9.161 1.00 0.00 H new ATOM 305 N PRO A 20 -11.254 9.334 11.884 1.00 0.00 N ATOM 306 CA PRO A 20 -10.636 8.010 11.756 1.00 0.00 C ATOM 307 C PRO A 20 -10.865 7.395 10.380 1.00 0.00 C ATOM 308 O PRO A 20 -10.282 6.362 10.047 1.00 0.00 O ATOM 309 CB PRO A 20 -11.341 7.184 12.835 1.00 0.00 C ATOM 310 CG PRO A 20 -12.656 7.858 13.029 1.00 0.00 C ATOM 311 CD PRO A 20 -12.409 9.323 12.798 1.00 0.00 C ATOM 0 HA PRO A 20 -9.553 8.052 11.872 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.470 6.148 12.520 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.765 7.167 13.760 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -13.399 7.473 12.330 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -13.041 7.681 14.033 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.277 9.812 12.355 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.190 9.845 13.729 1.00 0.00 H new ATOM 319 N ARG A 21 -11.715 8.034 9.584 1.00 0.00 N ATOM 320 CA ARG A 21 -12.020 7.548 8.244 1.00 0.00 C ATOM 321 C ARG A 21 -11.143 8.237 7.203 1.00 0.00 C ATOM 322 O ARG A 21 -10.866 7.678 6.143 1.00 0.00 O ATOM 323 CB ARG A 21 -13.496 7.782 7.918 1.00 0.00 C ATOM 324 CG ARG A 21 -13.827 9.231 7.598 1.00 0.00 C ATOM 325 CD ARG A 21 -15.299 9.404 7.258 1.00 0.00 C ATOM 326 NE ARG A 21 -15.741 10.786 7.424 1.00 0.00 N ATOM 327 CZ ARG A 21 -17.017 11.146 7.499 1.00 0.00 C ATOM 328 NH1 ARG A 21 -17.973 10.231 7.423 1.00 0.00 N ATOM 329 NH2 ARG A 21 -17.339 12.425 7.650 1.00 0.00 N ATOM 0 H ARG A 21 -12.205 8.890 9.844 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.814 6.478 8.217 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.775 7.158 7.069 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.102 7.458 8.764 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.573 9.860 8.451 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.217 9.568 6.760 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.473 9.089 6.229 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.897 8.753 7.896 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.030 11.515 7.486 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -17.729 9.247 7.307 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.952 10.511 7.481 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -16.606 13.132 7.708 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -18.319 12.701 7.708 1.00 0.00 H new ATOM 343 N GLU A 22 -10.709 9.455 7.515 1.00 0.00 N ATOM 344 CA GLU A 22 -9.864 10.220 6.605 1.00 0.00 C ATOM 345 C GLU A 22 -8.396 9.844 6.781 1.00 0.00 C ATOM 346 O GLU A 22 -8.053 9.006 7.614 1.00 0.00 O ATOM 347 CB GLU A 22 -10.050 11.720 6.841 1.00 0.00 C ATOM 348 CG GLU A 22 -11.146 12.339 5.991 1.00 0.00 C ATOM 349 CD GLU A 22 -12.530 12.119 6.572 1.00 0.00 C ATOM 350 OE1 GLU A 22 -12.630 11.886 7.794 1.00 0.00 O ATOM 351 OE2 GLU A 22 -13.512 12.180 5.803 1.00 0.00 O ATOM 0 H GLU A 22 -10.928 9.932 8.389 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.163 9.981 5.584 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.280 11.888 7.893 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.110 12.231 6.635 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.963 13.409 5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.106 11.915 4.988 1.00 0.00 H new ATOM 358 N VAL A 23 -7.531 10.471 5.989 1.00 0.00 N ATOM 359 CA VAL A 23 -6.100 10.204 6.056 1.00 0.00 C ATOM 360 C VAL A 23 -5.293 11.488 5.898 1.00 0.00 C ATOM 361 O VAL A 23 -5.761 12.460 5.303 1.00 0.00 O ATOM 362 CB VAL A 23 -5.664 9.200 4.972 1.00 0.00 C ATOM 363 CG1 VAL A 23 -6.063 7.786 5.364 1.00 0.00 C ATOM 364 CG2 VAL A 23 -6.262 9.579 3.626 1.00 0.00 C ATOM 0 H VAL A 23 -7.798 11.168 5.293 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.905 9.774 7.038 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.578 9.233 4.884 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.747 7.090 4.587 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.583 7.520 6.306 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.145 7.733 5.481 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.944 8.860 2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.350 9.574 3.697 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.921 10.575 3.344 1.00 0.00 H new ATOM 374 N THR A 24 -4.076 11.487 6.434 1.00 0.00 N ATOM 375 CA THR A 24 -3.204 12.651 6.353 1.00 0.00 C ATOM 376 C THR A 24 -2.241 12.536 5.176 1.00 0.00 C ATOM 377 O THR A 24 -1.584 11.511 4.999 1.00 0.00 O ATOM 378 CB THR A 24 -2.393 12.837 7.649 1.00 0.00 C ATOM 379 OG1 THR A 24 -3.279 13.012 8.760 1.00 0.00 O ATOM 380 CG2 THR A 24 -1.465 14.037 7.540 1.00 0.00 C ATOM 0 H THR A 24 -3.672 10.692 6.929 1.00 0.00 H new ATOM 0 HA THR A 24 -3.848 13.519 6.209 1.00 0.00 H new ATOM 0 HB THR A 24 -1.788 11.944 7.804 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.756 13.128 9.581 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.903 14.148 8.467 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.772 13.887 6.712 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.054 14.937 7.363 1.00 0.00 H new ATOM 388 N MET A 25 -2.163 13.594 4.376 1.00 0.00 N ATOM 389 CA MET A 25 -1.278 13.611 3.217 1.00 0.00 C ATOM 390 C MET A 25 -0.417 14.871 3.209 1.00 0.00 C ATOM 391 O MET A 25 -0.836 15.924 3.689 1.00 0.00 O ATOM 392 CB MET A 25 -2.093 13.528 1.925 1.00 0.00 C ATOM 393 CG MET A 25 -3.218 14.548 1.849 1.00 0.00 C ATOM 394 SD MET A 25 -4.342 14.241 0.473 1.00 0.00 S ATOM 395 CE MET A 25 -5.043 15.873 0.239 1.00 0.00 C ATOM 0 H MET A 25 -2.701 14.450 4.509 1.00 0.00 H new ATOM 0 HA MET A 25 -0.621 12.744 3.280 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.426 13.671 1.075 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.515 12.527 1.835 1.00 0.00 H new ATOM 0 HG2 MET A 25 -3.780 14.533 2.783 1.00 0.00 H new ATOM 0 HG3 MET A 25 -2.792 15.546 1.749 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.893 15.810 -0.440 1.00 0.00 H new ATOM 0 HE2 MET A 25 -5.374 16.268 1.199 1.00 0.00 H new ATOM 0 HE3 MET A 25 -4.288 16.536 -0.185 1.00 0.00 H new ATOM 405 N LYS A 26 0.788 14.755 2.661 1.00 0.00 N ATOM 406 CA LYS A 26 1.708 15.884 2.589 1.00 0.00 C ATOM 407 C LYS A 26 2.310 16.007 1.193 1.00 0.00 C ATOM 408 O LYS A 26 2.481 15.011 0.490 1.00 0.00 O ATOM 409 CB LYS A 26 2.823 15.726 3.625 1.00 0.00 C ATOM 410 CG LYS A 26 4.076 16.519 3.296 1.00 0.00 C ATOM 411 CD LYS A 26 4.997 16.631 4.499 1.00 0.00 C ATOM 412 CE LYS A 26 5.805 17.919 4.464 1.00 0.00 C ATOM 413 NZ LYS A 26 6.467 18.194 5.769 1.00 0.00 N ATOM 0 H LYS A 26 1.150 13.890 2.260 1.00 0.00 H new ATOM 0 HA LYS A 26 1.146 16.793 2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.449 16.041 4.599 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.083 14.671 3.709 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.606 16.038 2.474 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.798 17.516 2.956 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.407 16.595 5.415 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.673 15.776 4.522 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.560 17.853 3.681 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.150 18.752 4.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.008 19.080 5.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.745 18.282 6.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.111 17.412 6.003 1.00 0.00 H new ATOM 427 N LYS A 27 2.630 17.235 0.798 1.00 0.00 N ATOM 428 CA LYS A 27 3.216 17.488 -0.512 1.00 0.00 C ATOM 429 C LYS A 27 4.365 16.524 -0.791 1.00 0.00 C ATOM 430 O LYS A 27 5.363 16.508 -0.073 1.00 0.00 O ATOM 431 CB LYS A 27 3.717 18.932 -0.599 1.00 0.00 C ATOM 432 CG LYS A 27 2.610 19.967 -0.494 1.00 0.00 C ATOM 433 CD LYS A 27 2.622 20.661 0.858 1.00 0.00 C ATOM 434 CE LYS A 27 2.177 22.111 0.745 1.00 0.00 C ATOM 435 NZ LYS A 27 2.462 22.878 1.989 1.00 0.00 N ATOM 0 H LYS A 27 2.493 18.070 1.367 1.00 0.00 H new ATOM 0 HA LYS A 27 2.443 17.331 -1.264 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.441 19.105 0.197 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.243 19.069 -1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.727 20.708 -1.285 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.644 19.485 -0.648 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.964 20.130 1.546 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.626 20.619 1.280 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.685 22.582 -0.096 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.108 22.147 0.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.569 23.089 2.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.074 22.314 2.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.942 23.768 1.746 1.00 0.00 H new ATOM 449 N GLY A 28 4.216 15.721 -1.841 1.00 0.00 N ATOM 450 CA GLY A 28 5.249 14.766 -2.196 1.00 0.00 C ATOM 451 C GLY A 28 4.852 13.338 -1.878 1.00 0.00 C ATOM 452 O GLY A 28 5.478 12.391 -2.355 1.00 0.00 O ATOM 0 H GLY A 28 3.399 15.715 -2.451 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.468 14.851 -3.261 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.167 15.012 -1.662 1.00 0.00 H new ATOM 456 N ASP A 29 3.810 13.181 -1.070 1.00 0.00 N ATOM 457 CA ASP A 29 3.330 11.858 -0.688 1.00 0.00 C ATOM 458 C ASP A 29 2.572 11.202 -1.837 1.00 0.00 C ATOM 459 O ASP A 29 2.015 11.886 -2.696 1.00 0.00 O ATOM 460 CB ASP A 29 2.429 11.955 0.545 1.00 0.00 C ATOM 461 CG ASP A 29 2.058 10.593 1.099 1.00 0.00 C ATOM 462 OD1 ASP A 29 2.828 9.635 0.881 1.00 0.00 O ATOM 463 OD2 ASP A 29 0.997 10.486 1.750 1.00 0.00 O ATOM 0 H ASP A 29 3.281 13.954 -0.666 1.00 0.00 H new ATOM 0 HA ASP A 29 4.195 11.240 -0.448 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.936 12.533 1.318 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.520 12.498 0.286 1.00 0.00 H new ATOM 468 N ILE A 30 2.556 9.873 -1.847 1.00 0.00 N ATOM 469 CA ILE A 30 1.866 9.126 -2.891 1.00 0.00 C ATOM 470 C ILE A 30 0.938 8.074 -2.292 1.00 0.00 C ATOM 471 O ILE A 30 1.363 7.235 -1.498 1.00 0.00 O ATOM 472 CB ILE A 30 2.862 8.434 -3.840 1.00 0.00 C ATOM 473 CG1 ILE A 30 3.793 9.467 -4.478 1.00 0.00 C ATOM 474 CG2 ILE A 30 2.117 7.652 -4.911 1.00 0.00 C ATOM 475 CD1 ILE A 30 5.056 9.715 -3.683 1.00 0.00 C ATOM 0 H ILE A 30 3.013 9.292 -1.144 1.00 0.00 H new ATOM 0 HA ILE A 30 1.277 9.847 -3.458 1.00 0.00 H new ATOM 0 HB ILE A 30 3.467 7.735 -3.262 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.064 9.131 -5.479 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.255 10.408 -4.592 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.835 7.169 -5.574 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.491 6.894 -4.439 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.491 8.332 -5.488 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.668 10.458 -4.195 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.795 10.081 -2.690 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.616 8.785 -3.591 1.00 0.00 H new ATOM 487 N LEU A 31 -0.332 8.125 -2.679 1.00 0.00 N ATOM 488 CA LEU A 31 -1.322 7.175 -2.182 1.00 0.00 C ATOM 489 C LEU A 31 -1.912 6.356 -3.326 1.00 0.00 C ATOM 490 O LEU A 31 -1.675 6.645 -4.499 1.00 0.00 O ATOM 491 CB LEU A 31 -2.437 7.913 -1.440 1.00 0.00 C ATOM 492 CG LEU A 31 -1.992 9.039 -0.506 1.00 0.00 C ATOM 493 CD1 LEU A 31 -3.171 9.562 0.299 1.00 0.00 C ATOM 494 CD2 LEU A 31 -0.883 8.558 0.419 1.00 0.00 C ATOM 0 H LEU A 31 -0.701 8.814 -3.335 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.823 6.495 -1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.123 8.330 -2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.001 7.185 -0.856 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.602 9.856 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.835 10.363 0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.933 9.946 -0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.591 8.753 0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.579 9.372 1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.246 7.724 1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.029 8.233 -0.175 1.00 0.00 H new ATOM 506 N THR A 32 -2.684 5.332 -2.976 1.00 0.00 N ATOM 507 CA THR A 32 -3.310 4.471 -3.972 1.00 0.00 C ATOM 508 C THR A 32 -4.775 4.839 -4.175 1.00 0.00 C ATOM 509 O THR A 32 -5.623 4.539 -3.333 1.00 0.00 O ATOM 510 CB THR A 32 -3.216 2.987 -3.570 1.00 0.00 C ATOM 511 OG1 THR A 32 -1.855 2.641 -3.287 1.00 0.00 O ATOM 512 CG2 THR A 32 -3.752 2.092 -4.677 1.00 0.00 C ATOM 0 H THR A 32 -2.891 5.079 -2.010 1.00 0.00 H new ATOM 0 HA THR A 32 -2.768 4.622 -4.906 1.00 0.00 H new ATOM 0 HB THR A 32 -3.822 2.836 -2.677 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.823 2.049 -2.507 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.675 1.049 -4.371 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.796 2.338 -4.870 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.169 2.247 -5.585 1.00 0.00 H new ATOM 520 N LEU A 33 -5.067 5.489 -5.295 1.00 0.00 N ATOM 521 CA LEU A 33 -6.432 5.898 -5.609 1.00 0.00 C ATOM 522 C LEU A 33 -7.365 4.693 -5.650 1.00 0.00 C ATOM 523 O LEU A 33 -7.380 3.937 -6.622 1.00 0.00 O ATOM 524 CB LEU A 33 -6.469 6.632 -6.951 1.00 0.00 C ATOM 525 CG LEU A 33 -7.524 7.731 -7.086 1.00 0.00 C ATOM 526 CD1 LEU A 33 -8.896 7.204 -6.693 1.00 0.00 C ATOM 527 CD2 LEU A 33 -7.150 8.937 -6.237 1.00 0.00 C ATOM 0 H LEU A 33 -4.377 5.745 -6.002 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.773 6.572 -4.823 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.488 7.074 -7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.635 5.898 -7.739 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.563 8.045 -8.129 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.634 7.999 -6.795 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.166 6.372 -7.344 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.872 6.862 -5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.912 9.709 -6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.082 8.639 -5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.187 9.329 -6.566 1.00 0.00 H new ATOM 539 N LEU A 34 -8.146 4.520 -4.589 1.00 0.00 N ATOM 540 CA LEU A 34 -9.085 3.407 -4.503 1.00 0.00 C ATOM 541 C LEU A 34 -10.409 3.760 -5.175 1.00 0.00 C ATOM 542 O LEU A 34 -10.927 2.994 -5.986 1.00 0.00 O ATOM 543 CB LEU A 34 -9.327 3.030 -3.041 1.00 0.00 C ATOM 544 CG LEU A 34 -9.460 1.535 -2.747 1.00 0.00 C ATOM 545 CD1 LEU A 34 -8.207 0.792 -3.181 1.00 0.00 C ATOM 546 CD2 LEU A 34 -9.734 1.305 -1.267 1.00 0.00 C ATOM 0 H LEU A 34 -8.147 5.136 -3.776 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.649 2.554 -5.024 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.506 3.426 -2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.236 3.529 -2.704 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.304 1.146 -3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.320 -0.270 -2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.055 0.929 -4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.346 1.183 -2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.826 0.236 -1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.911 1.710 -0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.661 1.805 -0.987 1.00 0.00 H new ATOM 558 N ASN A 35 -10.949 4.925 -4.833 1.00 0.00 N ATOM 559 CA ASN A 35 -12.211 5.380 -5.404 1.00 0.00 C ATOM 560 C ASN A 35 -12.117 6.839 -5.839 1.00 0.00 C ATOM 561 O ASN A 35 -11.794 7.717 -5.038 1.00 0.00 O ATOM 562 CB ASN A 35 -13.344 5.210 -4.390 1.00 0.00 C ATOM 563 CG ASN A 35 -14.607 4.656 -5.022 1.00 0.00 C ATOM 564 OD1 ASN A 35 -15.385 5.529 -5.651 1.00 0.00 O flip ATOM 565 ND2 ASN A 35 -14.879 3.458 -4.946 1.00 0.00 N flip ATOM 0 H ASN A 35 -10.532 5.571 -4.163 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.424 4.771 -6.282 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.017 4.543 -3.592 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.564 6.173 -3.930 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -14.252 2.823 -4.452 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -15.732 3.100 -5.377 1.00 0.00 H new ATOM 572 N SER A 36 -12.402 7.091 -7.112 1.00 0.00 N ATOM 573 CA SER A 36 -12.346 8.444 -7.655 1.00 0.00 C ATOM 574 C SER A 36 -13.677 8.827 -8.295 1.00 0.00 C ATOM 575 O SER A 36 -13.743 9.740 -9.119 1.00 0.00 O ATOM 576 CB SER A 36 -11.220 8.557 -8.684 1.00 0.00 C ATOM 577 OG SER A 36 -10.801 7.277 -9.125 1.00 0.00 O ATOM 0 H SER A 36 -12.674 6.377 -7.787 1.00 0.00 H new ATOM 0 HA SER A 36 -12.147 9.132 -6.833 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.560 9.145 -9.536 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.375 9.089 -8.246 1.00 0.00 H new ATOM 0 HG SER A 36 -10.082 7.377 -9.783 1.00 0.00 H new ATOM 583 N THR A 37 -14.737 8.123 -7.910 1.00 0.00 N ATOM 584 CA THR A 37 -16.066 8.387 -8.446 1.00 0.00 C ATOM 585 C THR A 37 -16.438 9.858 -8.295 1.00 0.00 C ATOM 586 O THR A 37 -17.144 10.418 -9.132 1.00 0.00 O ATOM 587 CB THR A 37 -17.135 7.525 -7.749 1.00 0.00 C ATOM 588 OG1 THR A 37 -18.407 7.720 -8.375 1.00 0.00 O ATOM 589 CG2 THR A 37 -17.232 7.874 -6.271 1.00 0.00 C ATOM 0 H THR A 37 -14.700 7.365 -7.228 1.00 0.00 H new ATOM 0 HA THR A 37 -16.036 8.129 -9.505 1.00 0.00 H new ATOM 0 HB THR A 37 -16.843 6.479 -7.841 1.00 0.00 H new ATOM 0 HG1 THR A 37 -19.080 7.167 -7.927 1.00 0.00 H new ATOM 0 HG21 THR A 37 -17.993 7.253 -5.800 1.00 0.00 H new ATOM 0 HG22 THR A 37 -16.270 7.696 -5.791 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.502 8.924 -6.162 1.00 0.00 H new ATOM 597 N ASN A 38 -15.956 10.477 -7.222 1.00 0.00 N ATOM 598 CA ASN A 38 -16.239 11.884 -6.961 1.00 0.00 C ATOM 599 C ASN A 38 -15.144 12.775 -7.540 1.00 0.00 C ATOM 600 O ASN A 38 -14.093 12.292 -7.963 1.00 0.00 O ATOM 601 CB ASN A 38 -16.369 12.129 -5.457 1.00 0.00 C ATOM 602 CG ASN A 38 -17.805 12.366 -5.032 1.00 0.00 C ATOM 603 OD1 ASN A 38 -18.562 11.422 -4.807 1.00 0.00 O ATOM 604 ND2 ASN A 38 -18.188 13.633 -4.921 1.00 0.00 N ATOM 0 H ASN A 38 -15.368 10.027 -6.520 1.00 0.00 H new ATOM 0 HA ASN A 38 -17.182 12.135 -7.446 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -15.970 11.271 -4.916 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.763 12.991 -5.178 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -19.143 13.854 -4.639 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -17.527 14.385 -5.117 1.00 0.00 H new ATOM 611 N LYS A 39 -15.396 14.079 -7.554 1.00 0.00 N ATOM 612 CA LYS A 39 -14.432 15.040 -8.078 1.00 0.00 C ATOM 613 C LYS A 39 -13.841 15.886 -6.955 1.00 0.00 C ATOM 614 O LYS A 39 -12.709 16.360 -7.052 1.00 0.00 O ATOM 615 CB LYS A 39 -15.097 15.945 -9.118 1.00 0.00 C ATOM 616 CG LYS A 39 -16.357 16.627 -8.613 1.00 0.00 C ATOM 617 CD LYS A 39 -17.600 15.818 -8.945 1.00 0.00 C ATOM 618 CE LYS A 39 -18.778 16.719 -9.282 1.00 0.00 C ATOM 619 NZ LYS A 39 -19.376 17.329 -8.062 1.00 0.00 N ATOM 0 H LYS A 39 -16.260 14.495 -7.208 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.624 14.484 -8.553 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.384 16.706 -9.434 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.343 15.352 -9.999 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.289 16.766 -7.534 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.438 17.619 -9.057 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -17.392 15.159 -9.788 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -17.858 15.181 -8.099 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -18.450 17.508 -9.959 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -19.538 16.142 -9.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -20.176 17.936 -8.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -19.712 16.577 -7.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.658 17.901 -7.572 1.00 0.00 H new ATOM 633 N ASP A 40 -14.614 16.071 -5.891 1.00 0.00 N ATOM 634 CA ASP A 40 -14.166 16.858 -4.748 1.00 0.00 C ATOM 635 C ASP A 40 -13.455 15.976 -3.726 1.00 0.00 C ATOM 636 O ASP A 40 -12.312 16.240 -3.353 1.00 0.00 O ATOM 637 CB ASP A 40 -15.353 17.565 -4.092 1.00 0.00 C ATOM 638 CG ASP A 40 -16.156 18.387 -5.080 1.00 0.00 C ATOM 639 OD1 ASP A 40 -15.539 19.120 -5.881 1.00 0.00 O ATOM 640 OD2 ASP A 40 -17.401 18.298 -5.053 1.00 0.00 O ATOM 0 H ASP A 40 -15.554 15.687 -5.796 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.461 17.607 -5.108 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -16.003 16.823 -3.628 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.990 18.214 -3.295 1.00 0.00 H new ATOM 645 N TRP A 41 -14.139 14.930 -3.277 1.00 0.00 N ATOM 646 CA TRP A 41 -13.573 14.010 -2.298 1.00 0.00 C ATOM 647 C TRP A 41 -13.043 12.751 -2.975 1.00 0.00 C ATOM 648 O TRP A 41 -13.815 11.929 -3.467 1.00 0.00 O ATOM 649 CB TRP A 41 -14.624 13.637 -1.251 1.00 0.00 C ATOM 650 CG TRP A 41 -14.972 14.766 -0.329 1.00 0.00 C ATOM 651 CD1 TRP A 41 -16.131 15.489 -0.320 1.00 0.00 C ATOM 652 CD2 TRP A 41 -14.153 15.303 0.716 1.00 0.00 C ATOM 653 NE1 TRP A 41 -16.082 16.442 0.668 1.00 0.00 N ATOM 654 CE2 TRP A 41 -14.880 16.348 1.318 1.00 0.00 C ATOM 655 CE3 TRP A 41 -12.879 15.000 1.202 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -14.371 17.092 2.380 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -12.376 15.739 2.256 1.00 0.00 C ATOM 658 CH2 TRP A 41 -13.121 16.774 2.836 1.00 0.00 C ATOM 0 H TRP A 41 -15.086 14.698 -3.575 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.741 14.512 -1.805 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -15.528 13.300 -1.758 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -14.257 12.796 -0.662 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -16.963 15.334 -0.991 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -16.821 17.111 0.883 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -12.298 14.203 0.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -14.943 17.891 2.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -11.391 15.515 2.639 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -12.700 17.332 3.659 1.00 0.00 H new ATOM 669 N TRP A 42 -11.722 12.608 -2.998 1.00 0.00 N ATOM 670 CA TRP A 42 -11.090 11.448 -3.616 1.00 0.00 C ATOM 671 C TRP A 42 -10.660 10.436 -2.561 1.00 0.00 C ATOM 672 O TRP A 42 -10.086 10.800 -1.534 1.00 0.00 O ATOM 673 CB TRP A 42 -9.881 11.883 -4.446 1.00 0.00 C ATOM 674 CG TRP A 42 -10.220 12.186 -5.875 1.00 0.00 C ATOM 675 CD1 TRP A 42 -11.466 12.382 -6.398 1.00 0.00 C ATOM 676 CD2 TRP A 42 -9.300 12.327 -6.962 1.00 0.00 C ATOM 677 NE1 TRP A 42 -11.376 12.635 -7.745 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.058 12.608 -8.116 1.00 0.00 C ATOM 679 CE3 TRP A 42 -7.909 12.244 -7.074 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -9.470 12.805 -9.363 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -7.327 12.440 -8.312 1.00 0.00 C ATOM 682 CH2 TRP A 42 -8.107 12.718 -9.443 1.00 0.00 C ATOM 0 H TRP A 42 -11.069 13.280 -2.596 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.820 10.973 -4.271 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.435 12.767 -3.990 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.128 11.096 -4.418 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.387 12.344 -5.835 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -12.163 12.814 -8.368 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.300 12.030 -6.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.069 13.019 -10.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -6.253 12.378 -8.410 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -7.622 12.866 -10.397 1.00 0.00 H new ATOM 693 N LYS A 43 -10.940 9.163 -2.819 1.00 0.00 N ATOM 694 CA LYS A 43 -10.581 8.096 -1.892 1.00 0.00 C ATOM 695 C LYS A 43 -9.240 7.475 -2.271 1.00 0.00 C ATOM 696 O LYS A 43 -9.023 7.096 -3.422 1.00 0.00 O ATOM 697 CB LYS A 43 -11.668 7.019 -1.875 1.00 0.00 C ATOM 698 CG LYS A 43 -12.976 7.485 -1.261 1.00 0.00 C ATOM 699 CD LYS A 43 -13.796 8.301 -2.246 1.00 0.00 C ATOM 700 CE LYS A 43 -15.285 8.043 -2.081 1.00 0.00 C ATOM 701 NZ LYS A 43 -15.633 6.618 -2.335 1.00 0.00 N ATOM 0 H LYS A 43 -11.415 8.845 -3.664 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.493 8.529 -0.896 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.854 6.686 -2.896 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.303 6.155 -1.320 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.554 6.620 -0.934 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.769 8.084 -0.374 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.591 9.362 -2.100 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.494 8.055 -3.264 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.591 8.317 -1.071 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.842 8.681 -2.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.321 6.297 -1.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.047 6.526 -3.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.774 6.035 -2.274 1.00 0.00 H new ATOM 715 N VAL A 44 -8.344 7.372 -1.295 1.00 0.00 N ATOM 716 CA VAL A 44 -7.025 6.794 -1.526 1.00 0.00 C ATOM 717 C VAL A 44 -6.602 5.906 -0.360 1.00 0.00 C ATOM 718 O VAL A 44 -7.035 6.107 0.774 1.00 0.00 O ATOM 719 CB VAL A 44 -5.962 7.888 -1.736 1.00 0.00 C ATOM 720 CG1 VAL A 44 -5.974 8.374 -3.177 1.00 0.00 C ATOM 721 CG2 VAL A 44 -6.189 9.043 -0.773 1.00 0.00 C ATOM 0 H VAL A 44 -8.507 7.681 -0.337 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.098 6.190 -2.431 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.980 7.461 -1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.216 9.147 -3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.759 7.539 -3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.955 8.785 -3.414 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.429 9.807 -0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.176 9.471 -0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.125 8.680 0.253 1.00 0.00 H new ATOM 731 N GLU A 45 -5.754 4.924 -0.649 1.00 0.00 N ATOM 732 CA GLU A 45 -5.273 4.006 0.376 1.00 0.00 C ATOM 733 C GLU A 45 -3.854 4.366 0.807 1.00 0.00 C ATOM 734 O GLU A 45 -2.999 4.671 -0.025 1.00 0.00 O ATOM 735 CB GLU A 45 -5.311 2.566 -0.139 1.00 0.00 C ATOM 736 CG GLU A 45 -5.439 1.528 0.963 1.00 0.00 C ATOM 737 CD GLU A 45 -5.764 0.146 0.429 1.00 0.00 C ATOM 738 OE1 GLU A 45 -5.341 -0.167 -0.704 1.00 0.00 O ATOM 739 OE2 GLU A 45 -6.440 -0.622 1.144 1.00 0.00 O ATOM 0 H GLU A 45 -5.386 4.744 -1.583 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.930 4.092 1.241 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.149 2.457 -0.828 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.403 2.369 -0.708 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.507 1.486 1.527 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.219 1.837 1.659 1.00 0.00 H new ATOM 746 N VAL A 46 -3.610 4.328 2.113 1.00 0.00 N ATOM 747 CA VAL A 46 -2.296 4.649 2.656 1.00 0.00 C ATOM 748 C VAL A 46 -1.713 3.466 3.421 1.00 0.00 C ATOM 749 O VAL A 46 -2.447 2.640 3.963 1.00 0.00 O ATOM 750 CB VAL A 46 -2.358 5.871 3.591 1.00 0.00 C ATOM 751 CG1 VAL A 46 -2.967 7.065 2.871 1.00 0.00 C ATOM 752 CG2 VAL A 46 -3.145 5.539 4.850 1.00 0.00 C ATOM 0 H VAL A 46 -4.306 4.078 2.815 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.652 4.882 1.808 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.342 6.134 3.884 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.002 7.919 3.548 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.358 7.316 2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.978 6.817 2.546 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.179 6.414 5.499 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.160 5.249 4.579 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.661 4.716 5.375 1.00 0.00 H new ATOM 762 N LYS A 47 -0.387 3.391 3.462 1.00 0.00 N ATOM 763 CA LYS A 47 0.297 2.310 4.162 1.00 0.00 C ATOM 764 C LYS A 47 0.670 2.731 5.580 1.00 0.00 C ATOM 765 O LYS A 47 1.449 3.665 5.775 1.00 0.00 O ATOM 766 CB LYS A 47 1.554 1.893 3.395 1.00 0.00 C ATOM 767 CG LYS A 47 1.944 0.441 3.610 1.00 0.00 C ATOM 768 CD LYS A 47 3.147 0.317 4.530 1.00 0.00 C ATOM 769 CE LYS A 47 2.723 0.111 5.976 1.00 0.00 C ATOM 770 NZ LYS A 47 3.861 -0.331 6.830 1.00 0.00 N ATOM 0 H LYS A 47 0.236 4.066 3.018 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.384 1.461 4.221 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.393 2.063 2.330 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.383 2.532 3.698 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.101 -0.104 4.036 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.170 -0.022 2.649 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.767 -0.520 4.209 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.759 1.216 4.454 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.313 1.041 6.370 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.927 -0.632 6.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.528 -1.044 7.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.604 -0.745 6.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.246 0.486 7.345 1.00 0.00 H new ATOM 784 N ILE A 48 0.111 2.036 6.565 1.00 0.00 N ATOM 785 CA ILE A 48 0.388 2.337 7.964 1.00 0.00 C ATOM 786 C ILE A 48 1.251 1.252 8.599 1.00 0.00 C ATOM 787 O ILE A 48 1.055 0.062 8.352 1.00 0.00 O ATOM 788 CB ILE A 48 -0.912 2.483 8.776 1.00 0.00 C ATOM 789 CG1 ILE A 48 -1.782 3.598 8.191 1.00 0.00 C ATOM 790 CG2 ILE A 48 -0.595 2.763 10.238 1.00 0.00 C ATOM 791 CD1 ILE A 48 -3.168 3.663 8.794 1.00 0.00 C ATOM 0 H ILE A 48 -0.536 1.261 6.420 1.00 0.00 H new ATOM 0 HA ILE A 48 0.927 3.284 7.982 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.467 1.546 8.718 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.283 4.555 8.344 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.870 3.452 7.114 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.524 2.864 10.799 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.011 1.939 10.648 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.022 3.687 10.316 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.728 4.476 8.332 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.686 2.720 8.618 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.090 3.840 9.867 1.00 0.00 H new ATOM 803 N THR A 49 2.209 1.671 9.421 1.00 0.00 N ATOM 804 CA THR A 49 3.102 0.737 10.093 1.00 0.00 C ATOM 805 C THR A 49 2.671 0.505 11.537 1.00 0.00 C ATOM 806 O THR A 49 2.686 1.424 12.355 1.00 0.00 O ATOM 807 CB THR A 49 4.557 1.241 10.079 1.00 0.00 C ATOM 808 OG1 THR A 49 4.923 1.644 8.754 1.00 0.00 O ATOM 809 CG2 THR A 49 5.510 0.161 10.567 1.00 0.00 C ATOM 0 H THR A 49 2.385 2.652 9.637 1.00 0.00 H new ATOM 0 HA THR A 49 3.045 -0.203 9.544 1.00 0.00 H new ATOM 0 HB THR A 49 4.628 2.096 10.752 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.849 1.965 8.754 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.531 0.541 10.548 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.247 -0.123 11.586 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.435 -0.711 9.917 1.00 0.00 H new ATOM 817 N VAL A 50 2.287 -0.730 11.844 1.00 0.00 N ATOM 818 CA VAL A 50 1.853 -1.083 13.190 1.00 0.00 C ATOM 819 C VAL A 50 2.664 -2.251 13.741 1.00 0.00 C ATOM 820 O VAL A 50 2.479 -3.396 13.331 1.00 0.00 O ATOM 821 CB VAL A 50 0.358 -1.453 13.219 1.00 0.00 C ATOM 822 CG1 VAL A 50 -0.065 -1.858 14.623 1.00 0.00 C ATOM 823 CG2 VAL A 50 -0.487 -0.293 12.713 1.00 0.00 C ATOM 0 H VAL A 50 2.268 -1.503 11.178 1.00 0.00 H new ATOM 0 HA VAL A 50 2.015 -0.205 13.815 1.00 0.00 H new ATOM 0 HB VAL A 50 0.199 -2.305 12.558 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.124 -2.116 14.624 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.519 -2.721 14.944 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.107 -1.028 15.308 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.541 -0.571 12.740 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.325 0.579 13.347 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.201 -0.054 11.689 1.00 0.00 H new ATOM 833 N ASN A 51 3.564 -1.952 14.672 1.00 0.00 N ATOM 834 CA ASN A 51 4.405 -2.977 15.280 1.00 0.00 C ATOM 835 C ASN A 51 5.161 -3.763 14.213 1.00 0.00 C ATOM 836 O ASN A 51 5.304 -4.981 14.308 1.00 0.00 O ATOM 837 CB ASN A 51 3.555 -3.929 16.123 1.00 0.00 C ATOM 838 CG ASN A 51 4.358 -4.607 17.217 1.00 0.00 C ATOM 839 OD1 ASN A 51 5.400 -4.105 17.638 1.00 0.00 O ATOM 840 ND2 ASN A 51 3.876 -5.754 17.681 1.00 0.00 N ATOM 0 H ASN A 51 3.730 -1.008 15.022 1.00 0.00 H new ATOM 0 HA ASN A 51 5.131 -2.481 15.924 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.731 -3.375 16.572 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.114 -4.688 15.476 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.374 -6.256 18.416 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.008 -6.133 17.302 1.00 0.00 H new ATOM 847 N GLY A 52 5.645 -3.056 13.196 1.00 0.00 N ATOM 848 CA GLY A 52 6.381 -3.703 12.126 1.00 0.00 C ATOM 849 C GLY A 52 5.469 -4.366 11.113 1.00 0.00 C ATOM 850 O GLY A 52 5.935 -4.959 10.140 1.00 0.00 O ATOM 0 H GLY A 52 5.540 -2.046 13.094 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.005 -2.966 11.621 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.051 -4.450 12.551 1.00 0.00 H new ATOM 854 N LYS A 53 4.164 -4.270 11.343 1.00 0.00 N ATOM 855 CA LYS A 53 3.182 -4.865 10.444 1.00 0.00 C ATOM 856 C LYS A 53 2.747 -3.867 9.375 1.00 0.00 C ATOM 857 O LYS A 53 2.686 -2.662 9.624 1.00 0.00 O ATOM 858 CB LYS A 53 1.963 -5.347 11.233 1.00 0.00 C ATOM 859 CG LYS A 53 2.316 -6.230 12.418 1.00 0.00 C ATOM 860 CD LYS A 53 1.094 -6.544 13.264 1.00 0.00 C ATOM 861 CE LYS A 53 1.325 -7.759 14.149 1.00 0.00 C ATOM 862 NZ LYS A 53 0.181 -7.998 15.073 1.00 0.00 N ATOM 0 H LYS A 53 3.761 -3.785 12.145 1.00 0.00 H new ATOM 0 HA LYS A 53 3.648 -5.718 9.951 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.406 -4.481 11.589 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.302 -5.898 10.564 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.761 -7.159 12.061 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.067 -5.733 13.032 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.849 -5.682 13.885 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.237 -6.723 12.615 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.478 -8.639 13.525 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.237 -7.618 14.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.377 -8.835 15.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.051 -7.168 15.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.685 -8.158 14.519 1.00 0.00 H new ATOM 876 N THR A 54 2.442 -4.376 8.185 1.00 0.00 N ATOM 877 CA THR A 54 2.012 -3.529 7.080 1.00 0.00 C ATOM 878 C THR A 54 0.492 -3.416 7.033 1.00 0.00 C ATOM 879 O THR A 54 -0.208 -4.409 6.829 1.00 0.00 O ATOM 880 CB THR A 54 2.517 -4.070 5.729 1.00 0.00 C ATOM 881 OG1 THR A 54 3.400 -5.176 5.943 1.00 0.00 O ATOM 882 CG2 THR A 54 3.238 -2.983 4.946 1.00 0.00 C ATOM 0 H THR A 54 2.485 -5.370 7.962 1.00 0.00 H new ATOM 0 HA THR A 54 2.442 -2.542 7.252 1.00 0.00 H new ATOM 0 HB THR A 54 1.655 -4.401 5.150 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.715 -5.515 5.079 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.585 -3.389 3.996 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.554 -2.155 4.759 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.092 -2.625 5.522 1.00 0.00 H new ATOM 890 N TYR A 55 -0.012 -2.202 7.223 1.00 0.00 N ATOM 891 CA TYR A 55 -1.450 -1.960 7.204 1.00 0.00 C ATOM 892 C TYR A 55 -1.846 -1.127 5.989 1.00 0.00 C ATOM 893 O TYR A 55 -1.028 -0.395 5.432 1.00 0.00 O ATOM 894 CB TYR A 55 -1.885 -1.251 8.487 1.00 0.00 C ATOM 895 CG TYR A 55 -2.122 -2.191 9.648 1.00 0.00 C ATOM 896 CD1 TYR A 55 -1.166 -3.131 10.012 1.00 0.00 C ATOM 897 CD2 TYR A 55 -3.303 -2.139 10.379 1.00 0.00 C ATOM 898 CE1 TYR A 55 -1.379 -3.992 11.071 1.00 0.00 C ATOM 899 CE2 TYR A 55 -3.523 -2.996 11.440 1.00 0.00 C ATOM 900 CZ TYR A 55 -2.558 -3.920 11.782 1.00 0.00 C ATOM 901 OH TYR A 55 -2.775 -4.776 12.838 1.00 0.00 O ATOM 0 H TYR A 55 0.554 -1.370 7.392 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.955 -2.924 7.140 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.122 -0.525 8.768 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.800 -0.692 8.291 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.241 -3.190 9.458 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.061 -1.417 10.113 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.626 -4.718 11.341 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.446 -2.943 11.999 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.653 -4.593 13.232 1.00 0.00 H new ATOM 911 N GLU A 56 -3.107 -1.243 5.585 1.00 0.00 N ATOM 912 CA GLU A 56 -3.612 -0.501 4.436 1.00 0.00 C ATOM 913 C GLU A 56 -5.079 -0.126 4.633 1.00 0.00 C ATOM 914 O GLU A 56 -5.934 -0.994 4.810 1.00 0.00 O ATOM 915 CB GLU A 56 -3.452 -1.326 3.158 1.00 0.00 C ATOM 916 CG GLU A 56 -2.051 -1.275 2.572 1.00 0.00 C ATOM 917 CD GLU A 56 -1.895 -2.166 1.355 1.00 0.00 C ATOM 918 OE1 GLU A 56 -2.763 -2.107 0.460 1.00 0.00 O ATOM 919 OE2 GLU A 56 -0.902 -2.923 1.299 1.00 0.00 O ATOM 0 H GLU A 56 -3.797 -1.843 6.036 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.030 0.416 4.343 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.710 -2.363 3.371 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.162 -0.967 2.413 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.813 -0.247 2.298 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.332 -1.577 3.333 1.00 0.00 H new ATOM 926 N ARG A 57 -5.361 1.172 4.601 1.00 0.00 N ATOM 927 CA ARG A 57 -6.723 1.662 4.777 1.00 0.00 C ATOM 928 C ARG A 57 -7.021 2.800 3.805 1.00 0.00 C ATOM 929 O ARG A 57 -6.137 3.587 3.466 1.00 0.00 O ATOM 930 CB ARG A 57 -6.934 2.138 6.216 1.00 0.00 C ATOM 931 CG ARG A 57 -6.043 3.305 6.608 1.00 0.00 C ATOM 932 CD ARG A 57 -6.759 4.259 7.552 1.00 0.00 C ATOM 933 NE ARG A 57 -6.158 4.265 8.883 1.00 0.00 N ATOM 934 CZ ARG A 57 -6.413 3.347 9.809 1.00 0.00 C ATOM 935 NH1 ARG A 57 -7.252 2.354 9.549 1.00 0.00 N ATOM 936 NH2 ARG A 57 -5.827 3.420 10.997 1.00 0.00 N ATOM 0 H ARG A 57 -4.665 1.903 4.455 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.408 0.840 4.569 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.977 2.429 6.344 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.749 1.306 6.896 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.138 2.929 7.086 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.731 3.843 5.713 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.733 5.267 7.138 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.808 3.973 7.629 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.507 5.015 9.114 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.703 2.293 8.636 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.446 1.650 10.262 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.180 4.182 11.200 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.024 2.715 11.707 1.00 0.00 H new ATOM 950 N GLN A 58 -8.271 2.879 3.360 1.00 0.00 N ATOM 951 CA GLN A 58 -8.685 3.919 2.426 1.00 0.00 C ATOM 952 C GLN A 58 -9.291 5.107 3.167 1.00 0.00 C ATOM 953 O GLN A 58 -10.054 4.935 4.117 1.00 0.00 O ATOM 954 CB GLN A 58 -9.694 3.361 1.422 1.00 0.00 C ATOM 955 CG GLN A 58 -11.072 3.117 2.016 1.00 0.00 C ATOM 956 CD GLN A 58 -12.094 2.712 0.972 1.00 0.00 C ATOM 957 OE1 GLN A 58 -12.203 3.504 -0.088 1.00 0.00 O flip ATOM 958 NE2 GLN A 58 -12.779 1.699 1.117 1.00 0.00 N flip ATOM 0 H GLN A 58 -9.014 2.235 3.631 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.801 4.262 1.889 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -9.785 4.056 0.587 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.311 2.424 1.017 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -11.004 2.337 2.774 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -11.412 4.022 2.520 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -12.662 1.119 1.948 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -13.463 1.440 0.406 1.00 0.00 H new ATOM 967 N GLY A 59 -8.944 6.313 2.727 1.00 0.00 N ATOM 968 CA GLY A 59 -9.463 7.511 3.361 1.00 0.00 C ATOM 969 C GLY A 59 -9.846 8.579 2.356 1.00 0.00 C ATOM 970 O GLY A 59 -9.322 8.610 1.242 1.00 0.00 O ATOM 0 H GLY A 59 -8.313 6.482 1.943 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.335 7.252 3.961 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.713 7.911 4.044 1.00 0.00 H new ATOM 974 N PHE A 60 -10.764 9.456 2.747 1.00 0.00 N ATOM 975 CA PHE A 60 -11.219 10.529 1.871 1.00 0.00 C ATOM 976 C PHE A 60 -10.308 11.748 1.986 1.00 0.00 C ATOM 977 O PHE A 60 -9.870 12.109 3.078 1.00 0.00 O ATOM 978 CB PHE A 60 -12.658 10.920 2.214 1.00 0.00 C ATOM 979 CG PHE A 60 -13.558 9.742 2.457 1.00 0.00 C ATOM 980 CD1 PHE A 60 -13.685 9.202 3.727 1.00 0.00 C ATOM 981 CD2 PHE A 60 -14.276 9.176 1.417 1.00 0.00 C ATOM 982 CE1 PHE A 60 -14.511 8.117 3.953 1.00 0.00 C ATOM 983 CE2 PHE A 60 -15.104 8.092 1.637 1.00 0.00 C ATOM 984 CZ PHE A 60 -15.223 7.562 2.907 1.00 0.00 C ATOM 0 H PHE A 60 -11.208 9.445 3.665 1.00 0.00 H new ATOM 0 HA PHE A 60 -11.183 10.166 0.844 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.652 11.552 3.102 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -13.067 11.518 1.400 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -13.133 9.633 4.549 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -14.188 9.587 0.422 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -14.600 7.703 4.947 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.658 7.659 0.817 1.00 0.00 H new ATOM 0 HZ PHE A 60 -15.871 6.716 3.082 1.00 0.00 H new ATOM 994 N VAL A 61 -10.027 12.378 0.850 1.00 0.00 N ATOM 995 CA VAL A 61 -9.168 13.556 0.821 1.00 0.00 C ATOM 996 C VAL A 61 -9.554 14.489 -0.321 1.00 0.00 C ATOM 997 O VAL A 61 -10.137 14.076 -1.324 1.00 0.00 O ATOM 998 CB VAL A 61 -7.685 13.167 0.674 1.00 0.00 C ATOM 999 CG1 VAL A 61 -7.134 12.656 1.996 1.00 0.00 C ATOM 1000 CG2 VAL A 61 -7.514 12.127 -0.423 1.00 0.00 C ATOM 0 H VAL A 61 -10.382 12.092 -0.063 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.307 14.072 1.771 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.120 14.055 0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.085 12.386 1.873 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.222 13.436 2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.700 11.779 2.311 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.460 11.863 -0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.091 11.236 -0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.869 12.535 -1.370 1.00 0.00 H new ATOM 1010 N PRO A 62 -9.220 15.780 -0.170 1.00 0.00 N ATOM 1011 CA PRO A 62 -9.520 16.799 -1.180 1.00 0.00 C ATOM 1012 C PRO A 62 -8.682 16.629 -2.442 1.00 0.00 C ATOM 1013 O PRO A 62 -7.464 16.803 -2.417 1.00 0.00 O ATOM 1014 CB PRO A 62 -9.167 18.111 -0.476 1.00 0.00 C ATOM 1015 CG PRO A 62 -8.156 17.730 0.550 1.00 0.00 C ATOM 1016 CD PRO A 62 -8.524 16.343 0.999 1.00 0.00 C ATOM 0 HA PRO A 62 -10.555 16.746 -1.518 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.763 18.841 -1.178 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.046 18.563 -0.017 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.149 17.751 0.132 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.168 18.427 1.388 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.642 15.758 1.262 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.167 16.363 1.879 1.00 0.00 H new ATOM 1024 N ALA A 63 -9.342 16.288 -3.544 1.00 0.00 N ATOM 1025 CA ALA A 63 -8.657 16.097 -4.817 1.00 0.00 C ATOM 1026 C ALA A 63 -7.972 17.382 -5.270 1.00 0.00 C ATOM 1027 O ALA A 63 -6.958 17.344 -5.965 1.00 0.00 O ATOM 1028 CB ALA A 63 -9.638 15.618 -5.877 1.00 0.00 C ATOM 0 H ALA A 63 -10.350 16.138 -3.581 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.889 15.336 -4.678 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.113 15.480 -6.822 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.078 14.671 -5.564 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.426 16.360 -6.005 1.00 0.00 H new ATOM 1034 N ALA A 64 -8.534 18.519 -4.871 1.00 0.00 N ATOM 1035 CA ALA A 64 -7.977 19.816 -5.235 1.00 0.00 C ATOM 1036 C ALA A 64 -6.602 20.018 -4.606 1.00 0.00 C ATOM 1037 O ALA A 64 -5.856 20.916 -4.998 1.00 0.00 O ATOM 1038 CB ALA A 64 -8.921 20.933 -4.816 1.00 0.00 C ATOM 0 H ALA A 64 -9.375 18.568 -4.296 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.860 19.843 -6.318 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.492 21.896 -5.094 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.881 20.805 -5.317 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.068 20.900 -3.736 1.00 0.00 H new ATOM 1044 N TYR A 65 -6.275 19.180 -3.630 1.00 0.00 N ATOM 1045 CA TYR A 65 -4.991 19.269 -2.944 1.00 0.00 C ATOM 1046 C TYR A 65 -4.021 18.212 -3.463 1.00 0.00 C ATOM 1047 O TYR A 65 -2.861 18.161 -3.053 1.00 0.00 O ATOM 1048 CB TYR A 65 -5.182 19.105 -1.435 1.00 0.00 C ATOM 1049 CG TYR A 65 -5.783 20.320 -0.766 1.00 0.00 C ATOM 1050 CD1 TYR A 65 -7.041 20.786 -1.128 1.00 0.00 C ATOM 1051 CD2 TYR A 65 -5.093 21.003 0.229 1.00 0.00 C ATOM 1052 CE1 TYR A 65 -7.594 21.896 -0.519 1.00 0.00 C ATOM 1053 CE2 TYR A 65 -5.639 22.113 0.844 1.00 0.00 C ATOM 1054 CZ TYR A 65 -6.889 22.556 0.466 1.00 0.00 C ATOM 1055 OH TYR A 65 -7.436 23.662 1.075 1.00 0.00 O ATOM 0 H TYR A 65 -6.881 18.431 -3.295 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.569 20.254 -3.145 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.824 18.244 -1.250 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.217 18.888 -0.976 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.596 20.272 -1.899 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.113 20.660 0.526 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.573 22.245 -0.813 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.090 22.631 1.616 1.00 0.00 H new ATOM 0 HH TYR A 65 -6.812 24.008 1.747 1.00 0.00 H new ATOM 1065 N VAL A 66 -4.505 17.368 -4.369 1.00 0.00 N ATOM 1066 CA VAL A 66 -3.683 16.312 -4.947 1.00 0.00 C ATOM 1067 C VAL A 66 -3.902 16.206 -6.452 1.00 0.00 C ATOM 1068 O VAL A 66 -4.622 17.010 -7.044 1.00 0.00 O ATOM 1069 CB VAL A 66 -3.984 14.948 -4.298 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -3.824 15.028 -2.788 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -5.381 14.478 -4.671 1.00 0.00 C ATOM 0 H VAL A 66 -5.463 17.395 -4.718 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.644 16.577 -4.752 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.267 14.219 -4.676 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.041 14.055 -2.347 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.801 15.317 -2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.515 15.770 -2.388 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.577 13.513 -4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.115 15.205 -4.323 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.454 14.379 -5.754 1.00 0.00 H new ATOM 1081 N LYS A 67 -3.277 15.208 -7.067 1.00 0.00 N ATOM 1082 CA LYS A 67 -3.404 14.994 -8.503 1.00 0.00 C ATOM 1083 C LYS A 67 -2.974 13.580 -8.883 1.00 0.00 C ATOM 1084 O LYS A 67 -2.461 12.832 -8.051 1.00 0.00 O ATOM 1085 CB LYS A 67 -2.562 16.017 -9.269 1.00 0.00 C ATOM 1086 CG LYS A 67 -1.068 15.872 -9.035 1.00 0.00 C ATOM 1087 CD LYS A 67 -0.282 16.057 -10.322 1.00 0.00 C ATOM 1088 CE LYS A 67 -0.495 17.444 -10.911 1.00 0.00 C ATOM 1089 NZ LYS A 67 -1.554 17.445 -11.957 1.00 0.00 N ATOM 0 H LYS A 67 -2.677 14.534 -6.592 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.453 15.121 -8.772 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.766 15.917 -10.335 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.871 17.021 -8.978 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.741 16.607 -8.299 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.858 14.887 -8.618 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.779 15.902 -10.127 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.586 15.302 -11.047 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.769 18.138 -10.116 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.440 17.804 -11.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.305 18.126 -12.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.635 16.494 -12.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.463 17.715 -11.530 1.00 0.00 H new ATOM 1103 N LYS A 68 -3.186 13.221 -10.144 1.00 0.00 N ATOM 1104 CA LYS A 68 -2.818 11.898 -10.636 1.00 0.00 C ATOM 1105 C LYS A 68 -1.303 11.756 -10.732 1.00 0.00 C ATOM 1106 O LYS A 68 -0.592 12.730 -10.980 1.00 0.00 O ATOM 1107 CB LYS A 68 -3.453 11.646 -12.006 1.00 0.00 C ATOM 1108 CG LYS A 68 -4.741 10.844 -11.941 1.00 0.00 C ATOM 1109 CD LYS A 68 -5.963 11.741 -12.052 1.00 0.00 C ATOM 1110 CE LYS A 68 -6.116 12.301 -13.458 1.00 0.00 C ATOM 1111 NZ LYS A 68 -7.292 13.208 -13.568 1.00 0.00 N ATOM 0 H LYS A 68 -3.611 13.828 -10.845 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.191 11.158 -9.928 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.655 12.604 -12.485 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.738 11.118 -12.637 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.754 10.109 -12.746 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.779 10.290 -11.003 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.856 11.176 -11.785 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.880 12.561 -11.339 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.212 12.844 -13.733 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.223 11.480 -14.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.362 13.569 -14.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.158 12.684 -13.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.178 14.005 -12.910 1.00 0.00 H new ATOM 1125 N LEU A 69 -0.815 10.536 -10.535 1.00 0.00 N ATOM 1126 CA LEU A 69 0.617 10.265 -10.601 1.00 0.00 C ATOM 1127 C LEU A 69 0.989 9.622 -11.934 1.00 0.00 C ATOM 1128 O LEU A 69 2.085 9.834 -12.452 1.00 0.00 O ATOM 1129 CB LEU A 69 1.038 9.353 -9.447 1.00 0.00 C ATOM 1130 CG LEU A 69 2.542 9.155 -9.262 1.00 0.00 C ATOM 1131 CD1 LEU A 69 2.864 8.831 -7.812 1.00 0.00 C ATOM 1132 CD2 LEU A 69 3.052 8.054 -10.182 1.00 0.00 C ATOM 0 H LEU A 69 -1.390 9.719 -10.328 1.00 0.00 H new ATOM 0 HA LEU A 69 1.145 11.215 -10.517 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.629 9.759 -8.522 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.579 8.376 -9.597 1.00 0.00 H new ATOM 0 HG LEU A 69 3.046 10.085 -9.525 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.939 8.693 -7.700 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.535 9.651 -7.174 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.349 7.916 -7.521 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.125 7.927 -10.037 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.541 7.120 -9.950 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.856 8.327 -11.219 1.00 0.00 H new ATOM 1144 N ASP A 70 0.069 8.838 -12.484 1.00 0.00 N ATOM 1145 CA ASP A 70 0.298 8.167 -13.758 1.00 0.00 C ATOM 1146 C ASP A 70 0.458 9.182 -14.885 1.00 0.00 C ATOM 1147 O ASP A 70 -0.318 9.188 -15.842 1.00 0.00 O ATOM 1148 CB ASP A 70 -0.857 7.214 -14.072 1.00 0.00 C ATOM 1149 CG ASP A 70 -0.680 5.856 -13.421 1.00 0.00 C ATOM 1150 OD1 ASP A 70 -0.297 5.813 -12.234 1.00 0.00 O ATOM 1151 OD2 ASP A 70 -0.924 4.837 -14.100 1.00 0.00 O ATOM 0 H ASP A 70 -0.843 8.651 -12.067 1.00 0.00 H new ATOM 0 HA ASP A 70 1.221 7.592 -13.678 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.793 7.657 -13.732 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.937 7.088 -15.152 1.00 0.00 H new TER 1156 ASP A 70