USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 412 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 9 THR OG1 : rot -55:sc= 0.923 USER MOD Set 1.2: A 36 TYR OH : rot 30:sc= 0.00398 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.885 F(o=-2.3!,f=-0.88) USER MOD Single : A 13 MET CE :methyl -157:sc= -8.19! (180deg=-9.69!) USER MOD Single : A 15 HIS : no HD1:sc= -0.619 X(o=-0.62,f=-0.15) USER MOD Single : A 19 MET CE :methyl -136:sc= -5.9! (180deg=-9.95!) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 27 ASN : amide:sc= -1.97 K(o=-2,f=-3.4) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HE2:sc= -4.61 K(o=-4.6,f=-6.5!) USER MOD Single : A 35 ASN : amide:sc= -0.623 X(o=-0.62,f=-0.44) USER MOD Single : A 37 ASN : amide:sc= -0.0501 K(o=-0.05,f=-1.5) USER MOD Single : A 40 GLN : amide:sc= -0.335 K(o=-0.34,f=-1.5) USER MOD Single : A 43 THR OG1 : rot 77:sc= 0.0301 USER MOD Single : A 47 GLN : amide:sc= -0.0745 K(o=-0.074,f=-0.62) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.545 18.116 4.026 1.00 0.00 N ATOM 2 CA GLY A 1 3.372 18.733 5.047 1.00 0.00 C ATOM 3 C GLY A 1 3.188 18.090 6.408 1.00 0.00 C ATOM 4 O GLY A 1 4.161 17.712 7.060 1.00 0.00 O ATOM 0 H1 GLY A 1 2.707 18.590 3.115 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.792 17.109 3.941 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.543 18.206 4.290 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.419 18.662 4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.131 19.794 5.114 1.00 0.00 H new ATOM 8 N SER A 2 1.936 17.966 6.838 1.00 0.00 N ATOM 9 CA SER A 2 1.629 17.369 8.132 1.00 0.00 C ATOM 10 C SER A 2 1.396 15.867 7.997 1.00 0.00 C ATOM 11 O SER A 2 0.507 15.429 7.266 1.00 0.00 O ATOM 12 CB SER A 2 0.394 18.035 8.744 1.00 0.00 C ATOM 13 OG SER A 2 0.726 19.280 9.334 1.00 0.00 O ATOM 0 H SER A 2 1.119 18.271 6.309 1.00 0.00 H new ATOM 0 HA SER A 2 2.484 17.528 8.790 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.362 18.184 7.973 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.043 17.378 9.496 1.00 0.00 H new ATOM 0 HG SER A 2 -0.080 19.686 9.716 1.00 0.00 H new ATOM 19 N SER A 3 2.202 15.084 8.706 1.00 0.00 N ATOM 20 CA SER A 3 2.087 13.631 8.663 1.00 0.00 C ATOM 21 C SER A 3 0.711 13.180 9.141 1.00 0.00 C ATOM 22 O SER A 3 0.180 13.700 10.122 1.00 0.00 O ATOM 23 CB SER A 3 3.175 12.986 9.524 1.00 0.00 C ATOM 24 OG SER A 3 3.284 11.600 9.255 1.00 0.00 O ATOM 0 H SER A 3 2.941 15.431 9.317 1.00 0.00 H new ATOM 0 HA SER A 3 2.215 13.312 7.629 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.131 13.473 9.332 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.946 13.138 10.579 1.00 0.00 H new ATOM 0 HG SER A 3 3.987 11.212 9.817 1.00 0.00 H new ATOM 30 N GLY A 4 0.137 12.206 8.441 1.00 0.00 N ATOM 31 CA GLY A 4 -1.173 11.700 8.808 1.00 0.00 C ATOM 32 C GLY A 4 -2.293 12.386 8.050 1.00 0.00 C ATOM 33 O GLY A 4 -3.259 12.858 8.649 1.00 0.00 O ATOM 0 H GLY A 4 0.556 11.758 7.626 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.212 10.628 8.616 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.325 11.838 9.878 1.00 0.00 H new ATOM 37 N SER A 5 -2.162 12.443 6.728 1.00 0.00 N ATOM 38 CA SER A 5 -3.169 13.081 5.888 1.00 0.00 C ATOM 39 C SER A 5 -3.435 12.252 4.635 1.00 0.00 C ATOM 40 O SER A 5 -2.562 12.101 3.780 1.00 0.00 O ATOM 41 CB SER A 5 -2.718 14.489 5.495 1.00 0.00 C ATOM 42 OG SER A 5 -3.830 15.334 5.259 1.00 0.00 O ATOM 0 H SER A 5 -1.369 12.055 6.216 1.00 0.00 H new ATOM 0 HA SER A 5 -4.094 13.150 6.461 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.099 14.910 6.287 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.099 14.439 4.599 1.00 0.00 H new ATOM 0 HG SER A 5 -3.515 16.228 5.011 1.00 0.00 H new ATOM 48 N SER A 6 -4.647 11.717 4.533 1.00 0.00 N ATOM 49 CA SER A 6 -5.029 10.900 3.388 1.00 0.00 C ATOM 50 C SER A 6 -4.719 11.621 2.079 1.00 0.00 C ATOM 51 O SER A 6 -4.942 12.824 1.953 1.00 0.00 O ATOM 52 CB SER A 6 -6.518 10.555 3.453 1.00 0.00 C ATOM 53 OG SER A 6 -6.891 9.700 2.387 1.00 0.00 O ATOM 0 H SER A 6 -5.382 11.835 5.230 1.00 0.00 H new ATOM 0 HA SER A 6 -4.449 9.978 3.422 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.741 10.073 4.405 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.109 11.470 3.413 1.00 0.00 H new ATOM 0 HG SER A 6 -7.847 9.493 2.453 1.00 0.00 H new ATOM 59 N GLY A 7 -4.204 10.875 1.107 1.00 0.00 N ATOM 60 CA GLY A 7 -3.871 11.459 -0.179 1.00 0.00 C ATOM 61 C GLY A 7 -4.007 10.468 -1.318 1.00 0.00 C ATOM 62 O GLY A 7 -5.034 10.429 -1.995 1.00 0.00 O ATOM 0 H GLY A 7 -4.011 9.877 1.187 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.521 12.314 -0.366 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.849 11.836 -0.150 1.00 0.00 H new ATOM 66 N GLN A 8 -2.969 9.666 -1.531 1.00 0.00 N ATOM 67 CA GLN A 8 -2.977 8.673 -2.598 1.00 0.00 C ATOM 68 C GLN A 8 -3.070 7.261 -2.027 1.00 0.00 C ATOM 69 O GLN A 8 -2.074 6.542 -1.954 1.00 0.00 O ATOM 70 CB GLN A 8 -1.718 8.805 -3.457 1.00 0.00 C ATOM 71 CG GLN A 8 -1.722 7.908 -4.684 1.00 0.00 C ATOM 72 CD GLN A 8 -2.391 8.557 -5.880 1.00 0.00 C ATOM 73 OE1 GLN A 8 -3.714 8.667 -5.831 1.00 0.00 O flip ATOM 74 NE2 GLN A 8 -1.727 8.955 -6.837 1.00 0.00 N flip ATOM 0 H GLN A 8 -2.112 9.685 -0.979 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.854 8.853 -3.220 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.613 9.842 -3.776 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.846 8.569 -2.847 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.695 7.649 -4.943 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.236 6.976 -4.447 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.712 8.850 -6.833 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -2.191 9.390 -7.634 1.00 0.00 H new ATOM 83 N THR A 9 -4.275 6.871 -1.622 1.00 0.00 N ATOM 84 CA THR A 9 -4.499 5.547 -1.056 1.00 0.00 C ATOM 85 C THR A 9 -5.116 4.606 -2.084 1.00 0.00 C ATOM 86 O THR A 9 -4.445 3.715 -2.606 1.00 0.00 O ATOM 87 CB THR A 9 -5.417 5.611 0.180 1.00 0.00 C ATOM 88 OG1 THR A 9 -4.791 6.378 1.215 1.00 0.00 O ATOM 89 CG2 THR A 9 -5.731 4.215 0.694 1.00 0.00 C ATOM 0 H THR A 9 -5.110 7.454 -1.676 1.00 0.00 H new ATOM 0 HA THR A 9 -3.524 5.164 -0.756 1.00 0.00 H new ATOM 0 HB THR A 9 -6.351 6.091 -0.112 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.905 6.006 1.407 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.380 4.286 1.567 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.234 3.644 -0.087 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.804 3.712 0.971 1.00 0.00 H new ATOM 97 N ALA A 10 -6.397 4.810 -2.373 1.00 0.00 N ATOM 98 CA ALA A 10 -7.103 3.982 -3.342 1.00 0.00 C ATOM 99 C ALA A 10 -6.202 3.622 -4.518 1.00 0.00 C ATOM 100 O ALA A 10 -6.105 2.458 -4.905 1.00 0.00 O ATOM 101 CB ALA A 10 -8.355 4.694 -3.832 1.00 0.00 C ATOM 0 H ALA A 10 -6.967 5.542 -1.949 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.395 3.056 -2.846 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.872 4.064 -4.555 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.014 4.893 -2.987 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.076 5.636 -4.305 1.00 0.00 H new ATOM 107 N ALA A 11 -5.544 4.630 -5.082 1.00 0.00 N ATOM 108 CA ALA A 11 -4.649 4.419 -6.214 1.00 0.00 C ATOM 109 C ALA A 11 -3.932 3.078 -6.104 1.00 0.00 C ATOM 110 O ALA A 11 -3.825 2.337 -7.082 1.00 0.00 O ATOM 111 CB ALA A 11 -3.640 5.554 -6.307 1.00 0.00 C ATOM 0 H ALA A 11 -5.614 5.600 -4.774 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.250 4.406 -7.124 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.978 5.384 -7.156 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.167 6.499 -6.441 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.051 5.594 -5.390 1.00 0.00 H new ATOM 117 N LEU A 12 -3.440 2.772 -4.908 1.00 0.00 N ATOM 118 CA LEU A 12 -2.731 1.520 -4.670 1.00 0.00 C ATOM 119 C LEU A 12 -3.709 0.358 -4.529 1.00 0.00 C ATOM 120 O LEU A 12 -3.691 -0.582 -5.322 1.00 0.00 O ATOM 121 CB LEU A 12 -1.867 1.630 -3.413 1.00 0.00 C ATOM 122 CG LEU A 12 -0.642 2.540 -3.517 1.00 0.00 C ATOM 123 CD1 LEU A 12 0.408 1.919 -4.425 1.00 0.00 C ATOM 124 CD2 LEU A 12 -1.043 3.917 -4.025 1.00 0.00 C ATOM 0 H LEU A 12 -3.519 3.374 -4.088 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.088 1.327 -5.529 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.493 1.989 -2.596 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.530 0.630 -3.140 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.211 2.653 -2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.272 2.580 -4.487 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.717 0.956 -4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.011 1.775 -5.421 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.159 4.551 -4.093 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.499 3.823 -5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.759 4.365 -3.336 1.00 0.00 H new ATOM 136 N MET A 13 -4.564 0.432 -3.514 1.00 0.00 N ATOM 137 CA MET A 13 -5.553 -0.612 -3.270 1.00 0.00 C ATOM 138 C MET A 13 -6.115 -1.145 -4.584 1.00 0.00 C ATOM 139 O MET A 13 -6.259 -2.354 -4.763 1.00 0.00 O ATOM 140 CB MET A 13 -6.689 -0.075 -2.397 1.00 0.00 C ATOM 141 CG MET A 13 -6.220 0.466 -1.056 1.00 0.00 C ATOM 142 SD MET A 13 -4.950 -0.565 -0.297 1.00 0.00 S ATOM 143 CE MET A 13 -5.743 -0.997 1.249 1.00 0.00 C ATOM 0 H MET A 13 -4.592 1.204 -2.847 1.00 0.00 H new ATOM 0 HA MET A 13 -5.059 -1.431 -2.747 1.00 0.00 H new ATOM 0 HB2 MET A 13 -7.209 0.716 -2.937 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.412 -0.872 -2.225 1.00 0.00 H new ATOM 0 HG2 MET A 13 -5.830 1.475 -1.192 1.00 0.00 H new ATOM 0 HG3 MET A 13 -7.072 0.542 -0.381 1.00 0.00 H new ATOM 0 HE1 MET A 13 -4.985 -1.267 1.984 1.00 0.00 H new ATOM 0 HE2 MET A 13 -6.316 -0.145 1.615 1.00 0.00 H new ATOM 0 HE3 MET A 13 -6.412 -1.843 1.091 1.00 0.00 H new ATOM 153 N ALA A 14 -6.431 -0.236 -5.500 1.00 0.00 N ATOM 154 CA ALA A 14 -6.975 -0.615 -6.798 1.00 0.00 C ATOM 155 C ALA A 14 -6.057 -1.602 -7.511 1.00 0.00 C ATOM 156 O ALA A 14 -6.397 -2.774 -7.677 1.00 0.00 O ATOM 157 CB ALA A 14 -7.197 0.619 -7.659 1.00 0.00 C ATOM 0 H ALA A 14 -6.319 0.769 -5.367 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.934 -1.106 -6.632 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.603 0.320 -8.625 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.899 1.288 -7.161 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.248 1.134 -7.808 1.00 0.00 H new ATOM 163 N HIS A 15 -4.892 -1.121 -7.932 1.00 0.00 N ATOM 164 CA HIS A 15 -3.924 -1.962 -8.628 1.00 0.00 C ATOM 165 C HIS A 15 -3.960 -3.390 -8.092 1.00 0.00 C ATOM 166 O HIS A 15 -4.209 -4.338 -8.837 1.00 0.00 O ATOM 167 CB HIS A 15 -2.516 -1.385 -8.480 1.00 0.00 C ATOM 168 CG HIS A 15 -2.327 -0.078 -9.188 1.00 0.00 C ATOM 169 ND1 HIS A 15 -2.649 0.112 -10.515 1.00 0.00 N ATOM 170 CD2 HIS A 15 -1.847 1.107 -8.745 1.00 0.00 C ATOM 171 CE1 HIS A 15 -2.374 1.358 -10.859 1.00 0.00 C ATOM 172 NE2 HIS A 15 -1.887 1.983 -9.802 1.00 0.00 N ATOM 0 H HIS A 15 -4.595 -0.154 -7.804 1.00 0.00 H new ATOM 0 HA HIS A 15 -4.191 -1.982 -9.685 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.297 -1.250 -7.421 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -1.795 -2.105 -8.866 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.498 1.324 -7.746 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -2.522 1.791 -11.837 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -1.589 2.958 -9.775 1.00 0.00 H new ATOM 181 N LEU A 16 -3.709 -3.536 -6.795 1.00 0.00 N ATOM 182 CA LEU A 16 -3.712 -4.849 -6.159 1.00 0.00 C ATOM 183 C LEU A 16 -5.018 -5.586 -6.436 1.00 0.00 C ATOM 184 O LEU A 16 -5.022 -6.657 -7.042 1.00 0.00 O ATOM 185 CB LEU A 16 -3.504 -4.706 -4.650 1.00 0.00 C ATOM 186 CG LEU A 16 -2.092 -4.330 -4.199 1.00 0.00 C ATOM 187 CD1 LEU A 16 -2.140 -3.529 -2.907 1.00 0.00 C ATOM 188 CD2 LEU A 16 -1.239 -5.578 -4.024 1.00 0.00 C ATOM 0 H LEU A 16 -3.501 -2.762 -6.164 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.892 -5.431 -6.580 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.196 -3.950 -4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.776 -5.649 -4.175 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.638 -3.709 -4.971 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.126 -3.270 -2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.715 -2.617 -3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.613 -4.125 -2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.237 -5.292 -3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.690 -6.225 -3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.177 -6.112 -4.972 1.00 0.00 H new ATOM 200 N PHE A 17 -6.127 -5.003 -5.991 1.00 0.00 N ATOM 201 CA PHE A 17 -7.440 -5.603 -6.192 1.00 0.00 C ATOM 202 C PHE A 17 -7.566 -6.177 -7.601 1.00 0.00 C ATOM 203 O PHE A 17 -8.297 -7.140 -7.826 1.00 0.00 O ATOM 204 CB PHE A 17 -8.540 -4.568 -5.952 1.00 0.00 C ATOM 205 CG PHE A 17 -8.844 -4.343 -4.498 1.00 0.00 C ATOM 206 CD1 PHE A 17 -9.011 -5.416 -3.637 1.00 0.00 C ATOM 207 CD2 PHE A 17 -8.963 -3.058 -3.992 1.00 0.00 C ATOM 208 CE1 PHE A 17 -9.290 -5.212 -2.299 1.00 0.00 C ATOM 209 CE2 PHE A 17 -9.242 -2.849 -2.655 1.00 0.00 C ATOM 210 CZ PHE A 17 -9.406 -3.927 -1.807 1.00 0.00 C ATOM 0 H PHE A 17 -6.142 -4.115 -5.489 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.553 -6.416 -5.475 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.242 -3.622 -6.403 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.449 -4.891 -6.459 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -8.922 -6.423 -4.016 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.836 -2.211 -4.650 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -9.417 -6.057 -1.639 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -9.332 -1.843 -2.273 1.00 0.00 H new ATOM 0 HZ PHE A 17 -9.624 -3.765 -0.762 1.00 0.00 H new ATOM 220 N GLU A 18 -6.847 -5.577 -8.544 1.00 0.00 N ATOM 221 CA GLU A 18 -6.879 -6.027 -9.931 1.00 0.00 C ATOM 222 C GLU A 18 -5.927 -7.200 -10.144 1.00 0.00 C ATOM 223 O GLU A 18 -6.312 -8.234 -10.689 1.00 0.00 O ATOM 224 CB GLU A 18 -6.509 -4.878 -10.872 1.00 0.00 C ATOM 225 CG GLU A 18 -7.490 -3.718 -10.831 1.00 0.00 C ATOM 226 CD GLU A 18 -7.562 -2.969 -12.148 1.00 0.00 C ATOM 227 OE1 GLU A 18 -8.133 -3.518 -13.113 1.00 0.00 O ATOM 228 OE2 GLU A 18 -7.047 -1.833 -12.212 1.00 0.00 O ATOM 0 H GLU A 18 -6.236 -4.779 -8.373 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.893 -6.359 -10.155 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.516 -4.512 -10.612 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.452 -5.259 -11.892 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.481 -4.094 -10.576 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.198 -3.027 -10.040 1.00 0.00 H new ATOM 235 N MET A 19 -4.682 -7.031 -9.711 1.00 0.00 N ATOM 236 CA MET A 19 -3.675 -8.076 -9.854 1.00 0.00 C ATOM 237 C MET A 19 -4.190 -9.405 -9.311 1.00 0.00 C ATOM 238 O MET A 19 -4.326 -10.378 -10.052 1.00 0.00 O ATOM 239 CB MET A 19 -2.390 -7.678 -9.125 1.00 0.00 C ATOM 240 CG MET A 19 -1.682 -6.485 -9.748 1.00 0.00 C ATOM 241 SD MET A 19 -0.152 -6.061 -8.893 1.00 0.00 S ATOM 242 CE MET A 19 -0.672 -4.621 -7.963 1.00 0.00 C ATOM 0 H MET A 19 -4.346 -6.181 -9.258 1.00 0.00 H new ATOM 0 HA MET A 19 -3.460 -8.196 -10.916 1.00 0.00 H new ATOM 0 HB2 MET A 19 -2.628 -7.447 -8.087 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.709 -8.529 -9.115 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.461 -6.703 -10.793 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.351 -5.624 -9.737 1.00 0.00 H new ATOM 0 HE1 MET A 19 0.091 -3.846 -8.036 1.00 0.00 H new ATOM 0 HE2 MET A 19 -1.612 -4.246 -8.369 1.00 0.00 H new ATOM 0 HE3 MET A 19 -0.812 -4.894 -6.917 1.00 0.00 H new ATOM 252 N GLY A 20 -4.474 -9.439 -8.013 1.00 0.00 N ATOM 253 CA GLY A 20 -4.970 -10.655 -7.394 1.00 0.00 C ATOM 254 C GLY A 20 -4.785 -10.657 -5.890 1.00 0.00 C ATOM 255 O GLY A 20 -4.562 -11.706 -5.286 1.00 0.00 O ATOM 0 H GLY A 20 -4.370 -8.647 -7.379 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.028 -10.772 -7.627 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.453 -11.514 -7.822 1.00 0.00 H new ATOM 259 N PHE A 21 -4.875 -9.478 -5.282 1.00 0.00 N ATOM 260 CA PHE A 21 -4.713 -9.348 -3.839 1.00 0.00 C ATOM 261 C PHE A 21 -5.906 -8.625 -3.221 1.00 0.00 C ATOM 262 O PHE A 21 -5.958 -7.394 -3.201 1.00 0.00 O ATOM 263 CB PHE A 21 -3.421 -8.593 -3.516 1.00 0.00 C ATOM 264 CG PHE A 21 -2.181 -9.297 -3.988 1.00 0.00 C ATOM 265 CD1 PHE A 21 -1.724 -10.433 -3.340 1.00 0.00 C ATOM 266 CD2 PHE A 21 -1.473 -8.823 -5.080 1.00 0.00 C ATOM 267 CE1 PHE A 21 -0.584 -11.084 -3.772 1.00 0.00 C ATOM 268 CE2 PHE A 21 -0.332 -9.469 -5.517 1.00 0.00 C ATOM 269 CZ PHE A 21 0.114 -10.600 -4.862 1.00 0.00 C ATOM 0 H PHE A 21 -5.059 -8.600 -5.767 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.657 -10.350 -3.413 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.464 -7.604 -3.973 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.357 -8.444 -2.438 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.265 -10.815 -2.487 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.816 -7.939 -5.596 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.239 -11.969 -3.259 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.211 -9.090 -6.370 1.00 0.00 H new ATOM 0 HZ PHE A 21 1.006 -11.105 -5.201 1.00 0.00 H new ATOM 279 N CYS A 22 -6.862 -9.397 -2.717 1.00 0.00 N ATOM 280 CA CYS A 22 -8.056 -8.832 -2.099 1.00 0.00 C ATOM 281 C CYS A 22 -7.939 -8.845 -0.578 1.00 0.00 C ATOM 282 O CYS A 22 -8.873 -9.234 0.123 1.00 0.00 O ATOM 283 CB CYS A 22 -9.298 -9.611 -2.534 1.00 0.00 C ATOM 284 SG CYS A 22 -9.877 -9.208 -4.199 1.00 0.00 S ATOM 0 H CYS A 22 -6.834 -10.417 -2.724 1.00 0.00 H new ATOM 0 HA CYS A 22 -8.151 -7.798 -2.429 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -9.080 -10.678 -2.485 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -10.102 -9.417 -1.824 1.00 0.00 H new ATOM 0 HG CYS A 22 -10.930 -9.919 -4.476 1.00 0.00 H new ATOM 290 N ASP A 23 -6.785 -8.418 -0.075 1.00 0.00 N ATOM 291 CA ASP A 23 -6.545 -8.381 1.363 1.00 0.00 C ATOM 292 C ASP A 23 -6.356 -6.946 1.845 1.00 0.00 C ATOM 293 O ASP A 23 -5.231 -6.454 1.931 1.00 0.00 O ATOM 294 CB ASP A 23 -5.316 -9.218 1.718 1.00 0.00 C ATOM 295 CG ASP A 23 -5.570 -10.707 1.584 1.00 0.00 C ATOM 296 OD1 ASP A 23 -6.477 -11.086 0.814 1.00 0.00 O ATOM 297 OD2 ASP A 23 -4.864 -11.492 2.250 1.00 0.00 O ATOM 0 H ASP A 23 -6.002 -8.093 -0.642 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.417 -8.801 1.863 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.487 -8.934 1.069 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.011 -8.995 2.741 1.00 0.00 H new ATOM 302 N ARG A 24 -7.463 -6.281 2.157 1.00 0.00 N ATOM 303 CA ARG A 24 -7.419 -4.902 2.628 1.00 0.00 C ATOM 304 C ARG A 24 -6.584 -4.789 3.900 1.00 0.00 C ATOM 305 O ARG A 24 -5.523 -4.165 3.903 1.00 0.00 O ATOM 306 CB ARG A 24 -8.835 -4.384 2.888 1.00 0.00 C ATOM 307 CG ARG A 24 -9.471 -3.718 1.678 1.00 0.00 C ATOM 308 CD ARG A 24 -10.496 -2.674 2.092 1.00 0.00 C ATOM 309 NE ARG A 24 -10.743 -1.699 1.033 1.00 0.00 N ATOM 310 CZ ARG A 24 -9.998 -0.617 0.841 1.00 0.00 C ATOM 311 NH1 ARG A 24 -8.963 -0.372 1.633 1.00 0.00 N ATOM 312 NH2 ARG A 24 -10.286 0.223 -0.145 1.00 0.00 N ATOM 0 H ARG A 24 -8.402 -6.675 2.092 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.953 -4.294 1.852 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.464 -5.215 3.207 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.806 -3.671 3.712 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.697 -3.249 1.071 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.950 -4.473 1.055 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.431 -3.168 2.355 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.146 -2.157 2.986 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.532 -1.858 0.406 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.738 -1.016 2.392 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.392 0.460 1.483 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.081 0.038 -0.757 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.713 1.054 -0.291 1.00 0.00 H new ATOM 326 N GLN A 25 -7.070 -5.396 4.977 1.00 0.00 N ATOM 327 CA GLN A 25 -6.369 -5.362 6.255 1.00 0.00 C ATOM 328 C GLN A 25 -4.858 -5.366 6.047 1.00 0.00 C ATOM 329 O GLN A 25 -4.132 -4.589 6.670 1.00 0.00 O ATOM 330 CB GLN A 25 -6.779 -6.556 7.119 1.00 0.00 C ATOM 331 CG GLN A 25 -6.714 -7.887 6.387 1.00 0.00 C ATOM 332 CD GLN A 25 -7.595 -8.945 7.022 1.00 0.00 C ATOM 333 OE1 GLN A 25 -8.808 -8.772 7.137 1.00 0.00 O ATOM 334 NE2 GLN A 25 -6.986 -10.050 7.438 1.00 0.00 N ATOM 0 H GLN A 25 -7.947 -5.917 4.990 1.00 0.00 H new ATOM 0 HA GLN A 25 -6.645 -4.440 6.767 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.131 -6.600 7.994 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.795 -6.400 7.482 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -7.016 -7.742 5.350 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.683 -8.239 6.372 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.978 -10.151 7.322 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.527 -10.797 7.873 1.00 0.00 H new ATOM 343 N LEU A 26 -4.389 -6.244 5.167 1.00 0.00 N ATOM 344 CA LEU A 26 -2.963 -6.349 4.876 1.00 0.00 C ATOM 345 C LEU A 26 -2.494 -5.176 4.022 1.00 0.00 C ATOM 346 O LEU A 26 -1.672 -4.369 4.456 1.00 0.00 O ATOM 347 CB LEU A 26 -2.665 -7.668 4.160 1.00 0.00 C ATOM 348 CG LEU A 26 -2.335 -8.860 5.059 1.00 0.00 C ATOM 349 CD1 LEU A 26 -0.930 -8.727 5.627 1.00 0.00 C ATOM 350 CD2 LEU A 26 -3.356 -8.982 6.180 1.00 0.00 C ATOM 0 H LEU A 26 -4.975 -6.893 4.643 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.421 -6.325 5.821 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.528 -7.929 3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.828 -7.508 3.480 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.377 -9.767 4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.713 -9.584 6.264 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.209 -8.690 4.810 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.860 -7.811 6.214 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.105 -9.836 6.809 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.347 -8.073 6.781 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.349 -9.125 5.754 1.00 0.00 H new ATOM 362 N ASN A 27 -3.023 -5.086 2.807 1.00 0.00 N ATOM 363 CA ASN A 27 -2.659 -4.010 1.892 1.00 0.00 C ATOM 364 C ASN A 27 -2.464 -2.698 2.646 1.00 0.00 C ATOM 365 O ASN A 27 -1.488 -1.981 2.424 1.00 0.00 O ATOM 366 CB ASN A 27 -3.736 -3.840 0.818 1.00 0.00 C ATOM 367 CG ASN A 27 -3.888 -5.074 -0.050 1.00 0.00 C ATOM 368 OD1 ASN A 27 -2.979 -5.901 -0.137 1.00 0.00 O ATOM 369 ND2 ASN A 27 -5.040 -5.204 -0.697 1.00 0.00 N ATOM 0 H ASN A 27 -3.705 -5.745 2.433 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.717 -4.276 1.413 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.690 -3.616 1.296 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.486 -2.985 0.189 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -5.200 -6.014 -1.296 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.765 -4.494 -0.595 1.00 0.00 H new ATOM 376 N LEU A 28 -3.400 -2.391 3.538 1.00 0.00 N ATOM 377 CA LEU A 28 -3.331 -1.165 4.326 1.00 0.00 C ATOM 378 C LEU A 28 -1.975 -1.033 5.011 1.00 0.00 C ATOM 379 O LEU A 28 -1.142 -0.220 4.609 1.00 0.00 O ATOM 380 CB LEU A 28 -4.448 -1.145 5.371 1.00 0.00 C ATOM 381 CG LEU A 28 -5.772 -0.524 4.927 1.00 0.00 C ATOM 382 CD1 LEU A 28 -5.538 0.843 4.301 1.00 0.00 C ATOM 383 CD2 LEU A 28 -6.492 -1.443 3.951 1.00 0.00 C ATOM 0 H LEU A 28 -4.214 -2.973 3.733 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.459 -0.320 3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.639 -2.170 5.689 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.090 -0.602 6.246 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.403 -0.395 5.806 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.492 1.269 3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.066 1.501 5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.888 0.739 3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.433 -0.984 3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.866 -1.605 3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.694 -2.399 4.433 1.00 0.00 H new ATOM 395 N ARG A 29 -1.760 -1.838 6.046 1.00 0.00 N ATOM 396 CA ARG A 29 -0.504 -1.812 6.786 1.00 0.00 C ATOM 397 C ARG A 29 0.686 -1.721 5.836 1.00 0.00 C ATOM 398 O ARG A 29 1.704 -1.107 6.155 1.00 0.00 O ATOM 399 CB ARG A 29 -0.377 -3.060 7.662 1.00 0.00 C ATOM 400 CG ARG A 29 0.476 -2.850 8.902 1.00 0.00 C ATOM 401 CD ARG A 29 0.585 -4.124 9.725 1.00 0.00 C ATOM 402 NE ARG A 29 1.310 -3.908 10.975 1.00 0.00 N ATOM 403 CZ ARG A 29 1.470 -4.844 11.903 1.00 0.00 C ATOM 404 NH1 ARG A 29 0.959 -6.054 11.724 1.00 0.00 N ATOM 405 NH2 ARG A 29 2.142 -4.571 13.014 1.00 0.00 N ATOM 0 H ARG A 29 -2.439 -2.516 6.391 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.506 -0.928 7.423 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.373 -3.382 7.967 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.052 -3.868 7.069 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.472 -2.519 8.608 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.044 -2.057 9.512 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.414 -4.500 9.946 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.092 -4.891 9.140 1.00 0.00 H new ATOM 0 HE ARG A 29 1.716 -2.987 11.144 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.441 -6.268 10.872 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.084 -6.771 12.439 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.536 -3.641 13.156 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.264 -5.291 13.726 1.00 0.00 H new ATOM 419 N LEU A 30 0.550 -2.337 4.666 1.00 0.00 N ATOM 420 CA LEU A 30 1.614 -2.327 3.668 1.00 0.00 C ATOM 421 C LEU A 30 1.778 -0.937 3.061 1.00 0.00 C ATOM 422 O LEU A 30 2.895 -0.491 2.796 1.00 0.00 O ATOM 423 CB LEU A 30 1.317 -3.346 2.567 1.00 0.00 C ATOM 424 CG LEU A 30 1.714 -4.792 2.865 1.00 0.00 C ATOM 425 CD1 LEU A 30 1.172 -5.726 1.794 1.00 0.00 C ATOM 426 CD2 LEU A 30 3.227 -4.918 2.969 1.00 0.00 C ATOM 0 H LEU A 30 -0.286 -2.849 4.386 1.00 0.00 H new ATOM 0 HA LEU A 30 2.546 -2.599 4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.248 -3.320 2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.830 -3.029 1.659 1.00 0.00 H new ATOM 0 HG LEU A 30 1.278 -5.079 3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.465 -6.751 2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.085 -5.657 1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.578 -5.441 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.492 -5.954 3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.683 -4.613 2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.591 -4.278 3.773 1.00 0.00 H new ATOM 438 N LEU A 31 0.657 -0.257 2.844 1.00 0.00 N ATOM 439 CA LEU A 31 0.676 1.084 2.270 1.00 0.00 C ATOM 440 C LEU A 31 1.306 2.082 3.237 1.00 0.00 C ATOM 441 O LEU A 31 2.280 2.756 2.902 1.00 0.00 O ATOM 442 CB LEU A 31 -0.744 1.528 1.915 1.00 0.00 C ATOM 443 CG LEU A 31 -1.415 0.775 0.766 1.00 0.00 C ATOM 444 CD1 LEU A 31 -2.737 1.431 0.397 1.00 0.00 C ATOM 445 CD2 LEU A 31 -0.493 0.714 -0.443 1.00 0.00 C ATOM 0 H LEU A 31 -0.275 -0.612 3.057 1.00 0.00 H new ATOM 0 HA LEU A 31 1.279 1.055 1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.368 1.426 2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.719 2.588 1.663 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.618 -0.244 1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.200 0.881 -0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.401 1.422 1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.558 2.461 0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.987 0.174 -1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.258 1.726 -0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.428 0.198 -0.172 1.00 0.00 H new ATOM 457 N LYS A 32 0.744 2.169 4.438 1.00 0.00 N ATOM 458 CA LYS A 32 1.252 3.081 5.456 1.00 0.00 C ATOM 459 C LYS A 32 2.643 2.660 5.919 1.00 0.00 C ATOM 460 O LYS A 32 3.282 3.353 6.711 1.00 0.00 O ATOM 461 CB LYS A 32 0.297 3.127 6.651 1.00 0.00 C ATOM 462 CG LYS A 32 -1.143 3.422 6.267 1.00 0.00 C ATOM 463 CD LYS A 32 -2.009 3.657 7.494 1.00 0.00 C ATOM 464 CE LYS A 32 -3.362 4.240 7.116 1.00 0.00 C ATOM 465 NZ LYS A 32 -4.033 4.882 8.281 1.00 0.00 N ATOM 0 H LYS A 32 -0.064 1.619 4.730 1.00 0.00 H new ATOM 0 HA LYS A 32 1.321 4.076 5.015 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.336 2.172 7.174 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.641 3.888 7.351 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.176 4.301 5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.545 2.589 5.691 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.152 2.716 8.025 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.498 4.335 8.178 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.232 4.975 6.321 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.000 3.450 6.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.952 5.267 7.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.180 4.175 9.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.436 5.652 8.644 1.00 0.00 H new ATOM 479 N LYS A 33 3.108 1.520 5.418 1.00 0.00 N ATOM 480 CA LYS A 33 4.425 1.007 5.778 1.00 0.00 C ATOM 481 C LYS A 33 5.391 1.116 4.603 1.00 0.00 C ATOM 482 O LYS A 33 6.599 1.265 4.791 1.00 0.00 O ATOM 483 CB LYS A 33 4.320 -0.451 6.232 1.00 0.00 C ATOM 484 CG LYS A 33 5.654 -1.063 6.624 1.00 0.00 C ATOM 485 CD LYS A 33 6.346 -1.701 5.431 1.00 0.00 C ATOM 486 CE LYS A 33 7.645 -2.380 5.838 1.00 0.00 C ATOM 487 NZ LYS A 33 8.801 -1.445 5.783 1.00 0.00 N ATOM 0 H LYS A 33 2.592 0.934 4.762 1.00 0.00 H new ATOM 0 HA LYS A 33 4.811 1.611 6.600 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.639 -0.510 7.081 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.880 -1.042 5.429 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.297 -0.293 7.050 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.498 -1.813 7.399 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.681 -2.432 4.971 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.552 -0.940 4.679 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.546 -2.776 6.849 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.833 -3.228 5.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.667 -1.946 6.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.911 -1.086 4.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.634 -0.648 6.430 1.00 0.00 H new ATOM 501 N HIS A 34 4.852 1.043 3.390 1.00 0.00 N ATOM 502 CA HIS A 34 5.667 1.136 2.184 1.00 0.00 C ATOM 503 C HIS A 34 5.418 2.456 1.461 1.00 0.00 C ATOM 504 O HIS A 34 5.473 2.523 0.234 1.00 0.00 O ATOM 505 CB HIS A 34 5.366 -0.036 1.249 1.00 0.00 C ATOM 506 CG HIS A 34 5.762 -1.367 1.809 1.00 0.00 C ATOM 507 ND1 HIS A 34 7.066 -1.700 2.107 1.00 0.00 N ATOM 508 CD2 HIS A 34 5.016 -2.450 2.129 1.00 0.00 C ATOM 509 CE1 HIS A 34 7.105 -2.932 2.583 1.00 0.00 C ATOM 510 NE2 HIS A 34 5.874 -3.409 2.607 1.00 0.00 N ATOM 0 H HIS A 34 3.854 0.920 3.216 1.00 0.00 H new ATOM 0 HA HIS A 34 6.716 1.096 2.479 1.00 0.00 H new ATOM 0 HB2 HIS A 34 4.299 -0.048 1.027 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.887 0.121 0.304 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.874 -1.091 1.980 1.00 0.00 H new ATOM 0 HD2 HIS A 34 3.945 -2.542 2.027 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.993 -3.459 2.899 1.00 0.00 H new ATOM 519 N ASN A 35 5.145 3.505 2.231 1.00 0.00 N ATOM 520 CA ASN A 35 4.887 4.823 1.664 1.00 0.00 C ATOM 521 C ASN A 35 3.959 4.724 0.457 1.00 0.00 C ATOM 522 O ASN A 35 4.065 5.506 -0.488 1.00 0.00 O ATOM 523 CB ASN A 35 6.202 5.492 1.256 1.00 0.00 C ATOM 524 CG ASN A 35 6.020 6.955 0.900 1.00 0.00 C ATOM 525 OD1 ASN A 35 6.422 7.398 -0.176 1.00 0.00 O ATOM 526 ND2 ASN A 35 5.412 7.713 1.806 1.00 0.00 N ATOM 0 H ASN A 35 5.097 3.467 3.249 1.00 0.00 H new ATOM 0 HA ASN A 35 4.399 5.430 2.427 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.919 5.406 2.073 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.626 4.963 0.402 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.262 8.705 1.623 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.095 7.303 2.685 1.00 0.00 H new ATOM 533 N TYR A 36 3.049 3.757 0.496 1.00 0.00 N ATOM 534 CA TYR A 36 2.103 3.554 -0.595 1.00 0.00 C ATOM 535 C TYR A 36 2.831 3.213 -1.891 1.00 0.00 C ATOM 536 O TYR A 36 2.611 3.845 -2.924 1.00 0.00 O ATOM 537 CB TYR A 36 1.244 4.804 -0.792 1.00 0.00 C ATOM 538 CG TYR A 36 0.220 5.015 0.301 1.00 0.00 C ATOM 539 CD1 TYR A 36 0.557 5.674 1.477 1.00 0.00 C ATOM 540 CD2 TYR A 36 -1.083 4.553 0.158 1.00 0.00 C ATOM 541 CE1 TYR A 36 -0.375 5.868 2.478 1.00 0.00 C ATOM 542 CE2 TYR A 36 -2.021 4.744 1.154 1.00 0.00 C ATOM 543 CZ TYR A 36 -1.662 5.402 2.312 1.00 0.00 C ATOM 544 OH TYR A 36 -2.594 5.593 3.307 1.00 0.00 O ATOM 0 H TYR A 36 2.946 3.102 1.271 1.00 0.00 H new ATOM 0 HA TYR A 36 1.458 2.716 -0.332 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.894 5.677 -0.842 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.730 4.734 -1.751 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.564 6.041 1.611 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.367 4.036 -0.747 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.097 6.382 3.386 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.030 4.380 1.027 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.386 6.416 3.796 1.00 0.00 H new ATOM 554 N ASN A 37 3.698 2.209 -1.829 1.00 0.00 N ATOM 555 CA ASN A 37 4.460 1.783 -2.997 1.00 0.00 C ATOM 556 C ASN A 37 3.985 0.418 -3.488 1.00 0.00 C ATOM 557 O ASN A 37 4.459 -0.619 -3.023 1.00 0.00 O ATOM 558 CB ASN A 37 5.953 1.727 -2.666 1.00 0.00 C ATOM 559 CG ASN A 37 6.645 3.057 -2.892 1.00 0.00 C ATOM 560 OD1 ASN A 37 5.994 4.079 -3.112 1.00 0.00 O ATOM 561 ND2 ASN A 37 7.972 3.050 -2.837 1.00 0.00 N ATOM 0 H ASN A 37 3.891 1.675 -0.982 1.00 0.00 H new ATOM 0 HA ASN A 37 4.298 2.512 -3.791 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.081 1.426 -1.626 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.430 0.963 -3.280 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.493 3.915 -2.980 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.470 2.179 -2.652 1.00 0.00 H new ATOM 568 N ILE A 38 3.048 0.428 -4.430 1.00 0.00 N ATOM 569 CA ILE A 38 2.511 -0.808 -4.985 1.00 0.00 C ATOM 570 C ILE A 38 3.599 -1.869 -5.120 1.00 0.00 C ATOM 571 O ILE A 38 3.340 -3.063 -4.961 1.00 0.00 O ATOM 572 CB ILE A 38 1.865 -0.573 -6.363 1.00 0.00 C ATOM 573 CG1 ILE A 38 1.069 -1.806 -6.795 1.00 0.00 C ATOM 574 CG2 ILE A 38 2.930 -0.235 -7.396 1.00 0.00 C ATOM 575 CD1 ILE A 38 -0.295 -1.902 -6.148 1.00 0.00 C ATOM 0 H ILE A 38 2.645 1.278 -4.825 1.00 0.00 H new ATOM 0 HA ILE A 38 1.748 -1.160 -4.291 1.00 0.00 H new ATOM 0 HB ILE A 38 1.179 0.270 -6.287 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.948 -1.789 -7.878 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.641 -2.701 -6.552 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.458 -0.072 -8.365 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.458 0.669 -7.092 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.638 -1.060 -7.472 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.802 -2.800 -6.500 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.181 -1.951 -5.065 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.885 -1.024 -6.412 1.00 0.00 H new ATOM 587 N LEU A 39 4.816 -1.425 -5.413 1.00 0.00 N ATOM 588 CA LEU A 39 5.945 -2.336 -5.567 1.00 0.00 C ATOM 589 C LEU A 39 6.172 -3.143 -4.293 1.00 0.00 C ATOM 590 O LEU A 39 5.851 -4.330 -4.234 1.00 0.00 O ATOM 591 CB LEU A 39 7.211 -1.554 -5.922 1.00 0.00 C ATOM 592 CG LEU A 39 7.237 -0.911 -7.309 1.00 0.00 C ATOM 593 CD1 LEU A 39 8.659 -0.854 -7.844 1.00 0.00 C ATOM 594 CD2 LEU A 39 6.334 -1.674 -8.267 1.00 0.00 C ATOM 0 H LEU A 39 5.046 -0.441 -5.549 1.00 0.00 H new ATOM 0 HA LEU A 39 5.714 -3.028 -6.376 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.350 -0.770 -5.178 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.065 -2.227 -5.840 1.00 0.00 H new ATOM 0 HG LEU A 39 6.862 0.109 -7.223 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.658 -0.393 -8.832 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.278 -0.263 -7.169 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.062 -1.864 -7.915 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.365 -1.203 -9.249 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.678 -2.705 -8.348 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.311 -1.662 -7.890 1.00 0.00 H new ATOM 606 N GLN A 40 6.726 -2.491 -3.276 1.00 0.00 N ATOM 607 CA GLN A 40 6.994 -3.148 -2.003 1.00 0.00 C ATOM 608 C GLN A 40 5.747 -3.853 -1.481 1.00 0.00 C ATOM 609 O GLN A 40 5.808 -5.001 -1.041 1.00 0.00 O ATOM 610 CB GLN A 40 7.488 -2.130 -0.973 1.00 0.00 C ATOM 611 CG GLN A 40 8.856 -1.551 -1.297 1.00 0.00 C ATOM 612 CD GLN A 40 9.923 -2.619 -1.438 1.00 0.00 C ATOM 613 OE1 GLN A 40 9.788 -3.722 -0.908 1.00 0.00 O ATOM 614 NE2 GLN A 40 10.992 -2.296 -2.156 1.00 0.00 N ATOM 0 H GLN A 40 6.998 -1.508 -3.309 1.00 0.00 H new ATOM 0 HA GLN A 40 7.770 -3.896 -2.165 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.766 -1.317 -0.903 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.527 -2.607 0.007 1.00 0.00 H new ATOM 0 HG2 GLN A 40 8.794 -0.980 -2.223 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.147 -0.854 -0.511 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.062 -1.370 -2.578 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.743 -2.974 -2.286 1.00 0.00 H new ATOM 623 N VAL A 41 4.615 -3.157 -1.531 1.00 0.00 N ATOM 624 CA VAL A 41 3.352 -3.717 -1.064 1.00 0.00 C ATOM 625 C VAL A 41 3.098 -5.088 -1.679 1.00 0.00 C ATOM 626 O VAL A 41 2.812 -6.054 -0.972 1.00 0.00 O ATOM 627 CB VAL A 41 2.169 -2.789 -1.398 1.00 0.00 C ATOM 628 CG1 VAL A 41 0.847 -3.505 -1.170 1.00 0.00 C ATOM 629 CG2 VAL A 41 2.243 -1.513 -0.573 1.00 0.00 C ATOM 0 H VAL A 41 4.547 -2.205 -1.890 1.00 0.00 H new ATOM 0 HA VAL A 41 3.431 -3.817 0.019 1.00 0.00 H new ATOM 0 HB VAL A 41 2.230 -2.517 -2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.023 -2.833 -1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.796 -4.386 -1.809 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.773 -3.809 -0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.399 -0.869 -0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.208 -1.763 0.487 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.175 -0.991 -0.792 1.00 0.00 H new ATOM 639 N VAL A 42 3.204 -5.167 -3.002 1.00 0.00 N ATOM 640 CA VAL A 42 2.987 -6.421 -3.713 1.00 0.00 C ATOM 641 C VAL A 42 4.103 -7.418 -3.422 1.00 0.00 C ATOM 642 O VAL A 42 3.859 -8.506 -2.901 1.00 0.00 O ATOM 643 CB VAL A 42 2.899 -6.195 -5.234 1.00 0.00 C ATOM 644 CG1 VAL A 42 3.042 -7.513 -5.979 1.00 0.00 C ATOM 645 CG2 VAL A 42 1.590 -5.508 -5.595 1.00 0.00 C ATOM 0 H VAL A 42 3.439 -4.377 -3.603 1.00 0.00 H new ATOM 0 HA VAL A 42 2.040 -6.827 -3.358 1.00 0.00 H new ATOM 0 HB VAL A 42 3.720 -5.544 -5.535 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.977 -7.333 -7.052 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.007 -7.961 -5.744 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.244 -8.191 -5.676 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.544 -5.356 -6.673 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.753 -6.132 -5.281 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.534 -4.544 -5.090 1.00 0.00 H new ATOM 655 N THR A 43 5.332 -7.039 -3.762 1.00 0.00 N ATOM 656 CA THR A 43 6.486 -7.899 -3.539 1.00 0.00 C ATOM 657 C THR A 43 6.445 -8.525 -2.149 1.00 0.00 C ATOM 658 O THR A 43 6.713 -9.715 -1.987 1.00 0.00 O ATOM 659 CB THR A 43 7.806 -7.121 -3.699 1.00 0.00 C ATOM 660 OG1 THR A 43 7.921 -6.622 -5.036 1.00 0.00 O ATOM 661 CG2 THR A 43 9.000 -8.008 -3.380 1.00 0.00 C ATOM 0 H THR A 43 5.552 -6.141 -4.193 1.00 0.00 H new ATOM 0 HA THR A 43 6.443 -8.686 -4.291 1.00 0.00 H new ATOM 0 HB THR A 43 7.797 -6.286 -2.999 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.349 -5.833 -5.141 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.920 -7.436 -3.500 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.925 -8.363 -2.352 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.011 -8.861 -4.059 1.00 0.00 H new ATOM 669 N GLU A 44 6.106 -7.716 -1.150 1.00 0.00 N ATOM 670 CA GLU A 44 6.029 -8.193 0.226 1.00 0.00 C ATOM 671 C GLU A 44 4.955 -9.267 0.370 1.00 0.00 C ATOM 672 O GLU A 44 5.231 -10.380 0.822 1.00 0.00 O ATOM 673 CB GLU A 44 5.735 -7.031 1.176 1.00 0.00 C ATOM 674 CG GLU A 44 6.049 -7.339 2.630 1.00 0.00 C ATOM 675 CD GLU A 44 7.533 -7.277 2.933 1.00 0.00 C ATOM 676 OE1 GLU A 44 8.213 -8.313 2.778 1.00 0.00 O ATOM 677 OE2 GLU A 44 8.015 -6.194 3.325 1.00 0.00 O ATOM 0 H GLU A 44 5.881 -6.728 -1.268 1.00 0.00 H new ATOM 0 HA GLU A 44 6.993 -8.631 0.487 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.315 -6.162 0.864 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.683 -6.760 1.090 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.522 -6.631 3.269 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.673 -8.332 2.876 1.00 0.00 H new ATOM 684 N LEU A 45 3.731 -8.927 -0.016 1.00 0.00 N ATOM 685 CA LEU A 45 2.614 -9.861 0.071 1.00 0.00 C ATOM 686 C LEU A 45 3.043 -11.264 -0.346 1.00 0.00 C ATOM 687 O LEU A 45 2.985 -12.204 0.448 1.00 0.00 O ATOM 688 CB LEU A 45 1.457 -9.386 -0.810 1.00 0.00 C ATOM 689 CG LEU A 45 0.615 -8.238 -0.253 1.00 0.00 C ATOM 690 CD1 LEU A 45 -0.197 -7.585 -1.360 1.00 0.00 C ATOM 691 CD2 LEU A 45 -0.297 -8.736 0.858 1.00 0.00 C ATOM 0 H LEU A 45 3.486 -8.011 -0.392 1.00 0.00 H new ATOM 0 HA LEU A 45 2.282 -9.896 1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.863 -9.077 -1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.799 -10.234 -0.999 1.00 0.00 H new ATOM 0 HG LEU A 45 1.288 -7.489 0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.790 -6.770 -0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.476 -7.192 -2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.861 -8.324 -1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.889 -7.905 1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.963 -9.505 0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.306 -9.155 1.663 1.00 0.00 H new ATOM 703 N LEU A 46 3.476 -11.397 -1.595 1.00 0.00 N ATOM 704 CA LEU A 46 3.919 -12.686 -2.117 1.00 0.00 C ATOM 705 C LEU A 46 4.707 -13.458 -1.065 1.00 0.00 C ATOM 706 O LEU A 46 4.601 -14.681 -0.970 1.00 0.00 O ATOM 707 CB LEU A 46 4.777 -12.484 -3.367 1.00 0.00 C ATOM 708 CG LEU A 46 4.018 -12.337 -4.686 1.00 0.00 C ATOM 709 CD1 LEU A 46 3.481 -10.923 -4.839 1.00 0.00 C ATOM 710 CD2 LEU A 46 4.915 -12.699 -5.861 1.00 0.00 C ATOM 0 H LEU A 46 3.530 -10.629 -2.265 1.00 0.00 H new ATOM 0 HA LEU A 46 3.035 -13.267 -2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.390 -11.594 -3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.459 -13.330 -3.456 1.00 0.00 H new ATOM 0 HG LEU A 46 3.173 -13.025 -4.675 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.944 -10.838 -5.784 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.803 -10.700 -4.015 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.310 -10.216 -4.828 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.358 -12.589 -6.791 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.781 -12.037 -5.875 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.250 -13.731 -5.759 1.00 0.00 H new ATOM 722 N GLN A 47 5.495 -12.736 -0.274 1.00 0.00 N ATOM 723 CA GLN A 47 6.300 -13.355 0.773 1.00 0.00 C ATOM 724 C GLN A 47 5.445 -13.687 1.991 1.00 0.00 C ATOM 725 O GLN A 47 5.562 -14.769 2.569 1.00 0.00 O ATOM 726 CB GLN A 47 7.448 -12.429 1.177 1.00 0.00 C ATOM 727 CG GLN A 47 8.439 -12.162 0.055 1.00 0.00 C ATOM 728 CD GLN A 47 9.839 -11.887 0.567 1.00 0.00 C ATOM 729 OE1 GLN A 47 10.341 -12.590 1.444 1.00 0.00 O ATOM 730 NE2 GLN A 47 10.479 -10.860 0.019 1.00 0.00 N ATOM 0 H GLN A 47 5.593 -11.723 -0.338 1.00 0.00 H new ATOM 0 HA GLN A 47 6.714 -14.283 0.379 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.035 -11.480 1.519 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.978 -12.869 2.022 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.463 -13.021 -0.615 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.097 -11.310 -0.532 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.025 -10.304 -0.705 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.425 -10.628 0.323 1.00 0.00 H new ATOM 739 N LEU A 48 4.586 -12.751 2.378 1.00 0.00 N ATOM 740 CA LEU A 48 3.711 -12.943 3.529 1.00 0.00 C ATOM 741 C LEU A 48 2.830 -14.175 3.344 1.00 0.00 C ATOM 742 O LEU A 48 2.704 -15.002 4.246 1.00 0.00 O ATOM 743 CB LEU A 48 2.838 -11.706 3.744 1.00 0.00 C ATOM 744 CG LEU A 48 3.526 -10.504 4.394 1.00 0.00 C ATOM 745 CD1 LEU A 48 2.876 -9.207 3.938 1.00 0.00 C ATOM 746 CD2 LEU A 48 3.482 -10.620 5.910 1.00 0.00 C ATOM 0 H LEU A 48 4.477 -11.851 1.911 1.00 0.00 H new ATOM 0 HA LEU A 48 4.337 -13.095 4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.441 -11.394 2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.986 -11.990 4.362 1.00 0.00 H new ATOM 0 HG LEU A 48 4.570 -10.494 4.081 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.378 -8.363 4.410 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.960 -9.119 2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.824 -9.208 4.222 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.976 -9.756 6.355 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.444 -10.656 6.242 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.994 -11.531 6.220 1.00 0.00 H new ATOM 758 N SER A 49 2.225 -14.291 2.166 1.00 0.00 N ATOM 759 CA SER A 49 1.354 -15.420 1.862 1.00 0.00 C ATOM 760 C SER A 49 2.071 -16.743 2.119 1.00 0.00 C ATOM 761 O SER A 49 3.130 -17.008 1.553 1.00 0.00 O ATOM 762 CB SER A 49 0.888 -15.355 0.406 1.00 0.00 C ATOM 763 OG SER A 49 -0.355 -16.014 0.239 1.00 0.00 O ATOM 0 H SER A 49 2.322 -13.617 1.407 1.00 0.00 H new ATOM 0 HA SER A 49 0.485 -15.363 2.517 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.796 -14.314 0.096 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.636 -15.814 -0.240 1.00 0.00 H new ATOM 0 HG SER A 49 -0.632 -15.957 -0.699 1.00 0.00 H new ATOM 769 N GLY A 50 1.483 -17.569 2.980 1.00 0.00 N ATOM 770 CA GLY A 50 2.079 -18.854 3.298 1.00 0.00 C ATOM 771 C GLY A 50 1.924 -19.217 4.762 1.00 0.00 C ATOM 772 O GLY A 50 2.824 -19.002 5.575 1.00 0.00 O ATOM 0 H GLY A 50 0.606 -17.372 3.462 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.617 -19.627 2.684 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.138 -18.833 3.042 1.00 0.00 H new ATOM 776 N PRO A 51 0.760 -19.781 5.116 1.00 0.00 N ATOM 777 CA PRO A 51 0.463 -20.185 6.493 1.00 0.00 C ATOM 778 C PRO A 51 1.291 -21.387 6.936 1.00 0.00 C ATOM 779 O PRO A 51 1.477 -22.338 6.177 1.00 0.00 O ATOM 780 CB PRO A 51 -1.023 -20.549 6.444 1.00 0.00 C ATOM 781 CG PRO A 51 -1.273 -20.927 5.024 1.00 0.00 C ATOM 782 CD PRO A 51 -0.357 -20.066 4.199 1.00 0.00 C ATOM 0 HA PRO A 51 0.700 -19.397 7.208 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.251 -21.374 7.119 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.647 -19.708 6.746 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.067 -21.985 4.860 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.315 -20.759 4.753 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -0.018 -20.584 3.302 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.852 -19.152 3.872 1.00 0.00 H new ATOM 790 N SER A 52 1.786 -21.337 8.168 1.00 0.00 N ATOM 791 CA SER A 52 2.597 -22.421 8.711 1.00 0.00 C ATOM 792 C SER A 52 1.744 -23.378 9.537 1.00 0.00 C ATOM 793 O SER A 52 1.811 -24.594 9.365 1.00 0.00 O ATOM 794 CB SER A 52 3.730 -21.857 9.571 1.00 0.00 C ATOM 795 OG SER A 52 4.864 -22.706 9.541 1.00 0.00 O ATOM 0 H SER A 52 1.640 -20.558 8.810 1.00 0.00 H new ATOM 0 HA SER A 52 3.025 -22.974 7.875 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.005 -20.865 9.211 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.387 -21.740 10.599 1.00 0.00 H new ATOM 0 HG SER A 52 5.574 -22.323 10.097 1.00 0.00 H new ATOM 801 N SER A 53 0.940 -22.818 10.436 1.00 0.00 N ATOM 802 CA SER A 53 0.075 -23.620 11.293 1.00 0.00 C ATOM 803 C SER A 53 -1.139 -24.124 10.520 1.00 0.00 C ATOM 804 O SER A 53 -1.901 -23.339 9.957 1.00 0.00 O ATOM 805 CB SER A 53 -0.380 -22.801 12.503 1.00 0.00 C ATOM 806 OG SER A 53 -0.862 -23.643 13.536 1.00 0.00 O ATOM 0 H SER A 53 0.870 -21.812 10.589 1.00 0.00 H new ATOM 0 HA SER A 53 0.646 -24.481 11.640 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.452 -22.203 12.875 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.163 -22.105 12.202 1.00 0.00 H new ATOM 0 HG SER A 53 -1.145 -23.096 14.298 1.00 0.00 H new ATOM 812 N GLY A 54 -1.313 -25.442 10.497 1.00 0.00 N ATOM 813 CA GLY A 54 -2.436 -26.030 9.791 1.00 0.00 C ATOM 814 C GLY A 54 -3.733 -25.916 10.566 1.00 0.00 C ATOM 815 O GLY A 54 -4.784 -25.628 9.993 1.00 0.00 O ATOM 0 H GLY A 54 -0.696 -26.113 10.955 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.550 -25.540 8.824 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.226 -27.081 9.593 1.00 0.00 H new TER 819 GLY A 54