USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 703 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 46 CYS SG : rot 160:sc= -0.0539 USER MOD Set 1.2: A 78 GLN : amide:sc= -0.0103 X(o=-0.064,f=-0.21) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0473 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 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.474 X(o=0.47,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN :FLIP amide:sc= -0.359 F(o=-1.5,f=-0.36) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0355) USER MOD Single : A 28 HIS : no HD1:sc= -4.85! C(o=-4.8!,f=-5.2!) USER MOD Single : A 29 ASN : amide:sc= -0.659 K(o=-0.66,f=-5.1!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -156:sc= -0.0769 (180deg=-0.796) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 164:sc= -0.363 (180deg=-0.871) USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.294 F(o=-1.8,f=-0.29) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.00066) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.136 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.061 X(o=-0.061,f=-0.22) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN :FLIP amide:sc= -0.0292 F(o=-1.5!,f=-0.029) USER MOD Single : A 88 THR OG1 : rot 8:sc= 0.604 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.442 31.767 -4.511 1.00 0.00 N ATOM 2 CA GLY A 1 -2.241 30.810 -3.439 1.00 0.00 C ATOM 3 C GLY A 1 -3.544 30.376 -2.796 1.00 0.00 C ATOM 4 O GLY A 1 -4.155 31.135 -2.044 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.522 32.032 -4.917 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.037 31.341 -5.250 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.911 32.616 -4.135 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.723 29.934 -3.830 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.594 31.250 -2.680 1.00 0.00 H new ATOM 8 N SER A 2 -3.969 29.153 -3.094 1.00 0.00 N ATOM 9 CA SER A 2 -5.211 28.621 -2.544 1.00 0.00 C ATOM 10 C SER A 2 -5.005 27.209 -2.004 1.00 0.00 C ATOM 11 O SER A 2 -4.072 26.511 -2.399 1.00 0.00 O ATOM 12 CB SER A 2 -6.305 28.615 -3.614 1.00 0.00 C ATOM 13 OG SER A 2 -7.501 28.039 -3.116 1.00 0.00 O ATOM 0 H SER A 2 -3.473 28.512 -3.713 1.00 0.00 H new ATOM 0 HA SER A 2 -5.520 29.265 -1.721 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.499 29.635 -3.946 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.963 28.056 -4.485 1.00 0.00 H new ATOM 0 HG SER A 2 -8.185 28.048 -3.817 1.00 0.00 H new ATOM 19 N SER A 3 -5.885 26.796 -1.097 1.00 0.00 N ATOM 20 CA SER A 3 -5.799 25.470 -0.498 1.00 0.00 C ATOM 21 C SER A 3 -7.187 24.936 -0.156 1.00 0.00 C ATOM 22 O SER A 3 -8.183 25.649 -0.272 1.00 0.00 O ATOM 23 CB SER A 3 -4.932 25.511 0.763 1.00 0.00 C ATOM 24 OG SER A 3 -3.598 25.877 0.453 1.00 0.00 O ATOM 0 H SER A 3 -6.665 27.361 -0.761 1.00 0.00 H new ATOM 0 HA SER A 3 -5.340 24.800 -1.225 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.352 26.223 1.474 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.941 24.534 1.247 1.00 0.00 H new ATOM 0 HG SER A 3 -3.065 25.898 1.275 1.00 0.00 H new ATOM 30 N GLY A 4 -7.242 23.676 0.264 1.00 0.00 N ATOM 31 CA GLY A 4 -8.513 23.067 0.616 1.00 0.00 C ATOM 32 C GLY A 4 -8.641 21.651 0.090 1.00 0.00 C ATOM 33 O GLY A 4 -8.169 21.343 -1.005 1.00 0.00 O ATOM 0 H GLY A 4 -6.431 23.066 0.367 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.621 23.060 1.701 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.326 23.674 0.218 1.00 0.00 H new ATOM 37 N SER A 5 -9.282 20.788 0.871 1.00 0.00 N ATOM 38 CA SER A 5 -9.467 19.395 0.480 1.00 0.00 C ATOM 39 C SER A 5 -10.878 18.921 0.811 1.00 0.00 C ATOM 40 O SER A 5 -11.544 19.477 1.685 1.00 0.00 O ATOM 41 CB SER A 5 -8.441 18.505 1.184 1.00 0.00 C ATOM 42 OG SER A 5 -8.167 17.342 0.422 1.00 0.00 O ATOM 0 H SER A 5 -9.682 21.028 1.778 1.00 0.00 H new ATOM 0 HA SER A 5 -9.321 19.324 -0.598 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.519 19.064 1.344 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.816 18.220 2.167 1.00 0.00 H new ATOM 0 HG SER A 5 -7.507 16.791 0.892 1.00 0.00 H new ATOM 48 N SER A 6 -11.330 17.889 0.105 1.00 0.00 N ATOM 49 CA SER A 6 -12.665 17.341 0.319 1.00 0.00 C ATOM 50 C SER A 6 -12.921 17.102 1.803 1.00 0.00 C ATOM 51 O SER A 6 -13.866 17.641 2.377 1.00 0.00 O ATOM 52 CB SER A 6 -12.834 16.034 -0.458 1.00 0.00 C ATOM 53 OG SER A 6 -14.140 15.510 -0.296 1.00 0.00 O ATOM 0 H SER A 6 -10.791 17.415 -0.620 1.00 0.00 H new ATOM 0 HA SER A 6 -13.392 18.067 -0.045 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.637 16.208 -1.516 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.101 15.305 -0.113 1.00 0.00 H new ATOM 0 HG SER A 6 -14.223 14.676 -0.804 1.00 0.00 H new ATOM 59 N GLY A 7 -12.071 16.286 2.420 1.00 0.00 N ATOM 60 CA GLY A 7 -12.221 15.988 3.832 1.00 0.00 C ATOM 61 C GLY A 7 -11.805 14.571 4.174 1.00 0.00 C ATOM 62 O GLY A 7 -12.450 13.905 4.983 1.00 0.00 O ATOM 0 H GLY A 7 -11.281 15.826 1.967 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.622 16.689 4.414 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.261 16.138 4.123 1.00 0.00 H new ATOM 66 N SER A 8 -10.724 14.109 3.554 1.00 0.00 N ATOM 67 CA SER A 8 -10.225 12.760 3.792 1.00 0.00 C ATOM 68 C SER A 8 -9.195 12.752 4.918 1.00 0.00 C ATOM 69 O SER A 8 -8.288 13.584 4.950 1.00 0.00 O ATOM 70 CB SER A 8 -9.604 12.190 2.514 1.00 0.00 C ATOM 71 OG SER A 8 -9.654 10.774 2.511 1.00 0.00 O ATOM 0 H SER A 8 -10.177 14.649 2.883 1.00 0.00 H new ATOM 0 HA SER A 8 -11.067 12.135 4.089 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.134 12.578 1.644 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.569 12.521 2.430 1.00 0.00 H new ATOM 0 HG SER A 8 -9.253 10.434 1.684 1.00 0.00 H new ATOM 77 N ILE A 9 -9.344 11.806 5.841 1.00 0.00 N ATOM 78 CA ILE A 9 -8.427 11.689 6.967 1.00 0.00 C ATOM 79 C ILE A 9 -6.994 11.473 6.491 1.00 0.00 C ATOM 80 O ILE A 9 -6.679 10.447 5.889 1.00 0.00 O ATOM 81 CB ILE A 9 -8.827 10.530 7.900 1.00 0.00 C ATOM 82 CG1 ILE A 9 -10.248 10.737 8.426 1.00 0.00 C ATOM 83 CG2 ILE A 9 -7.841 10.413 9.052 1.00 0.00 C ATOM 84 CD1 ILE A 9 -10.967 9.446 8.749 1.00 0.00 C ATOM 0 H ILE A 9 -10.090 11.111 5.830 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.485 12.627 7.520 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.803 9.600 7.331 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.208 11.355 9.323 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.825 11.289 7.684 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.137 9.590 9.702 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.842 10.223 8.658 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.836 11.342 9.622 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.969 9.669 9.117 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.039 8.835 7.850 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.413 8.902 9.514 1.00 0.00 H new ATOM 96 N GLN A 10 -6.132 12.447 6.767 1.00 0.00 N ATOM 97 CA GLN A 10 -4.733 12.361 6.367 1.00 0.00 C ATOM 98 C GLN A 10 -3.870 13.300 7.205 1.00 0.00 C ATOM 99 O GLN A 10 -4.029 14.519 7.152 1.00 0.00 O ATOM 100 CB GLN A 10 -4.582 12.701 4.883 1.00 0.00 C ATOM 101 CG GLN A 10 -3.320 12.132 4.254 1.00 0.00 C ATOM 102 CD GLN A 10 -3.457 11.922 2.759 1.00 0.00 C ATOM 103 OE1 GLN A 10 -3.686 12.868 2.006 1.00 0.00 O ATOM 104 NE2 GLN A 10 -3.318 10.676 2.321 1.00 0.00 N ATOM 0 H GLN A 10 -6.378 13.303 7.265 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.396 11.338 6.534 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.450 12.323 4.342 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.580 13.785 4.765 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.486 12.807 4.447 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.078 11.182 4.730 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.129 9.922 2.981 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.401 10.473 1.325 1.00 0.00 H new ATOM 113 N LYS A 11 -2.956 12.723 7.978 1.00 0.00 N ATOM 114 CA LYS A 11 -2.067 13.506 8.827 1.00 0.00 C ATOM 115 C LYS A 11 -1.291 14.530 8.005 1.00 0.00 C ATOM 116 O LYS A 11 -0.500 14.169 7.133 1.00 0.00 O ATOM 117 CB LYS A 11 -1.092 12.586 9.567 1.00 0.00 C ATOM 118 CG LYS A 11 -1.756 11.715 10.619 1.00 0.00 C ATOM 119 CD LYS A 11 -1.824 12.421 11.964 1.00 0.00 C ATOM 120 CE LYS A 11 -0.470 12.433 12.656 1.00 0.00 C ATOM 121 NZ LYS A 11 -0.374 13.519 13.669 1.00 0.00 N ATOM 0 H LYS A 11 -2.812 11.715 8.034 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.678 14.039 9.555 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.589 11.946 8.842 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.323 13.194 10.044 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.763 11.452 10.293 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.201 10.782 10.724 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.170 13.445 11.822 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.555 11.923 12.601 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.300 11.470 13.139 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.317 12.560 11.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.564 13.493 14.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.510 14.440 13.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.108 13.384 14.393 1.00 0.00 H new ATOM 135 N ASP A 12 -1.522 15.806 8.287 1.00 0.00 N ATOM 136 CA ASP A 12 -0.843 16.883 7.575 1.00 0.00 C ATOM 137 C ASP A 12 0.179 17.570 8.476 1.00 0.00 C ATOM 138 O ASP A 12 0.411 18.775 8.363 1.00 0.00 O ATOM 139 CB ASP A 12 -1.858 17.904 7.063 1.00 0.00 C ATOM 140 CG ASP A 12 -1.401 18.586 5.788 1.00 0.00 C ATOM 141 OD1 ASP A 12 -0.183 18.818 5.645 1.00 0.00 O ATOM 142 OD2 ASP A 12 -2.262 18.889 4.934 1.00 0.00 O ATOM 0 H ASP A 12 -2.175 16.121 9.004 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.317 16.448 6.725 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.811 17.406 6.884 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.031 18.657 7.832 1.00 0.00 H new ATOM 147 N LEU A 13 0.787 16.798 9.369 1.00 0.00 N ATOM 148 CA LEU A 13 1.784 17.333 10.290 1.00 0.00 C ATOM 149 C LEU A 13 3.195 16.967 9.839 1.00 0.00 C ATOM 150 O LEU A 13 4.175 17.294 10.507 1.00 0.00 O ATOM 151 CB LEU A 13 1.536 16.803 11.704 1.00 0.00 C ATOM 152 CG LEU A 13 2.701 16.938 12.685 1.00 0.00 C ATOM 153 CD1 LEU A 13 3.208 18.371 12.719 1.00 0.00 C ATOM 154 CD2 LEU A 13 2.282 16.485 14.076 1.00 0.00 C ATOM 0 H LEU A 13 0.607 15.800 9.475 1.00 0.00 H new ATOM 0 HA LEU A 13 1.694 18.419 10.293 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.674 17.325 12.120 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.267 15.749 11.633 1.00 0.00 H new ATOM 0 HG LEU A 13 3.513 16.296 12.345 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.037 18.447 13.423 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.548 18.660 11.725 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.403 19.035 13.034 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.124 16.588 14.761 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.453 17.101 14.425 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.969 15.441 14.040 1.00 0.00 H new ATOM 166 N ALA A 14 3.288 16.290 8.698 1.00 0.00 N ATOM 167 CA ALA A 14 4.578 15.885 8.155 1.00 0.00 C ATOM 168 C ALA A 14 4.486 15.627 6.655 1.00 0.00 C ATOM 169 O ALA A 14 3.400 15.407 6.120 1.00 0.00 O ATOM 170 CB ALA A 14 5.089 14.646 8.876 1.00 0.00 C ATOM 0 H ALA A 14 2.486 16.011 8.133 1.00 0.00 H new ATOM 0 HA ALA A 14 5.283 16.701 8.314 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.053 14.355 8.460 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.203 14.864 9.938 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.377 13.831 8.747 1.00 0.00 H new ATOM 176 N ASN A 15 5.631 15.655 5.982 1.00 0.00 N ATOM 177 CA ASN A 15 5.678 15.425 4.543 1.00 0.00 C ATOM 178 C ASN A 15 5.140 14.041 4.196 1.00 0.00 C ATOM 179 O ASN A 15 4.310 13.894 3.298 1.00 0.00 O ATOM 180 CB ASN A 15 7.111 15.571 4.029 1.00 0.00 C ATOM 181 CG ASN A 15 7.316 14.896 2.686 1.00 0.00 C ATOM 182 OD1 ASN A 15 7.522 13.584 2.710 1.00 0.00 O flip ATOM 183 ND2 ASN A 15 7.288 15.545 1.641 1.00 0.00 N flip ATOM 0 H ASN A 15 6.539 15.835 6.410 1.00 0.00 H new ATOM 0 HA ASN A 15 5.048 16.172 4.060 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.357 16.629 3.942 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.800 15.143 4.757 1.00 0.00 H new ATOM 0 HD21 ASN A 15 7.127 16.552 1.670 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.426 15.076 0.746 1.00 0.00 H new ATOM 190 N ILE A 16 5.618 13.029 4.913 1.00 0.00 N ATOM 191 CA ILE A 16 5.184 11.657 4.680 1.00 0.00 C ATOM 192 C ILE A 16 3.713 11.606 4.281 1.00 0.00 C ATOM 193 O ILE A 16 2.892 12.363 4.798 1.00 0.00 O ATOM 194 CB ILE A 16 5.395 10.780 5.929 1.00 0.00 C ATOM 195 CG1 ILE A 16 6.882 10.709 6.283 1.00 0.00 C ATOM 196 CG2 ILE A 16 4.832 9.386 5.701 1.00 0.00 C ATOM 197 CD1 ILE A 16 7.739 10.141 5.173 1.00 0.00 C ATOM 0 H ILE A 16 6.305 13.133 5.659 1.00 0.00 H new ATOM 0 HA ILE A 16 5.794 11.268 3.865 1.00 0.00 H new ATOM 0 HB ILE A 16 4.862 11.232 6.766 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.237 11.710 6.530 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.006 10.097 7.177 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.989 8.780 6.593 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.764 9.454 5.493 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.338 8.923 4.854 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.781 10.120 5.492 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.410 9.128 4.941 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.644 10.765 4.285 1.00 0.00 H new ATOM 209 N ALA A 17 3.387 10.706 3.359 1.00 0.00 N ATOM 210 CA ALA A 17 2.014 10.554 2.892 1.00 0.00 C ATOM 211 C ALA A 17 1.464 9.176 3.246 1.00 0.00 C ATOM 212 O ALA A 17 1.870 8.170 2.665 1.00 0.00 O ATOM 213 CB ALA A 17 1.937 10.785 1.391 1.00 0.00 C ATOM 0 H ALA A 17 4.054 10.071 2.921 1.00 0.00 H new ATOM 0 HA ALA A 17 1.401 11.302 3.395 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.906 10.668 1.057 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.281 11.793 1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.569 10.060 0.878 1.00 0.00 H new ATOM 219 N GLU A 18 0.542 9.138 4.201 1.00 0.00 N ATOM 220 CA GLU A 18 -0.061 7.883 4.632 1.00 0.00 C ATOM 221 C GLU A 18 -1.308 7.567 3.810 1.00 0.00 C ATOM 222 O GLU A 18 -2.297 8.300 3.856 1.00 0.00 O ATOM 223 CB GLU A 18 -0.420 7.946 6.118 1.00 0.00 C ATOM 224 CG GLU A 18 -0.714 6.588 6.732 1.00 0.00 C ATOM 225 CD GLU A 18 -2.179 6.208 6.634 1.00 0.00 C ATOM 226 OE1 GLU A 18 -2.574 5.625 5.603 1.00 0.00 O ATOM 227 OE2 GLU A 18 -2.930 6.494 7.590 1.00 0.00 O ATOM 0 H GLU A 18 0.196 9.962 4.692 1.00 0.00 H new ATOM 0 HA GLU A 18 0.668 7.088 4.475 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.402 8.411 6.662 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.291 8.589 6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.112 5.829 6.232 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.413 6.594 7.780 1.00 0.00 H new ATOM 234 N VAL A 19 -1.253 6.473 3.057 1.00 0.00 N ATOM 235 CA VAL A 19 -2.376 6.060 2.225 1.00 0.00 C ATOM 236 C VAL A 19 -2.820 4.642 2.565 1.00 0.00 C ATOM 237 O VAL A 19 -1.992 3.747 2.740 1.00 0.00 O ATOM 238 CB VAL A 19 -2.021 6.131 0.727 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.200 5.679 -0.122 1.00 0.00 C ATOM 240 CG2 VAL A 19 -1.588 7.539 0.348 1.00 0.00 C ATOM 0 H VAL A 19 -0.442 5.857 3.006 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.193 6.752 2.430 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.186 5.456 0.536 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.932 5.736 -1.177 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.458 4.651 0.132 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.056 6.326 0.070 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.341 7.570 -0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.400 8.237 0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.712 7.820 0.933 1.00 0.00 H new ATOM 250 N GLU A 20 -4.130 4.443 2.657 1.00 0.00 N ATOM 251 CA GLU A 20 -4.684 3.133 2.976 1.00 0.00 C ATOM 252 C GLU A 20 -5.428 2.549 1.778 1.00 0.00 C ATOM 253 O GLU A 20 -5.818 3.274 0.863 1.00 0.00 O ATOM 254 CB GLU A 20 -5.627 3.231 4.177 1.00 0.00 C ATOM 255 CG GLU A 20 -4.979 3.839 5.410 1.00 0.00 C ATOM 256 CD GLU A 20 -5.126 5.347 5.462 1.00 0.00 C ATOM 257 OE1 GLU A 20 -5.330 5.960 4.393 1.00 0.00 O ATOM 258 OE2 GLU A 20 -5.036 5.914 6.571 1.00 0.00 O ATOM 0 H GLU A 20 -4.828 5.173 2.515 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.856 2.469 3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.494 3.830 3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.993 2.234 4.423 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.426 3.403 6.303 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.920 3.580 5.425 1.00 0.00 H new ATOM 265 N VAL A 21 -5.620 1.234 1.792 1.00 0.00 N ATOM 266 CA VAL A 21 -6.318 0.552 0.708 1.00 0.00 C ATOM 267 C VAL A 21 -7.167 -0.598 1.238 1.00 0.00 C ATOM 268 O VAL A 21 -6.892 -1.144 2.307 1.00 0.00 O ATOM 269 CB VAL A 21 -5.329 0.006 -0.340 1.00 0.00 C ATOM 270 CG1 VAL A 21 -4.328 -0.937 0.311 1.00 0.00 C ATOM 271 CG2 VAL A 21 -6.078 -0.693 -1.464 1.00 0.00 C ATOM 0 H VAL A 21 -5.302 0.620 2.542 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.966 1.290 0.235 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.778 0.844 -0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.638 -1.313 -0.444 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.770 -0.401 1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.859 -1.774 0.766 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.365 -1.073 -2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.655 -1.523 -1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.752 0.015 -1.947 1.00 0.00 H new ATOM 281 N SER A 22 -8.198 -0.962 0.483 1.00 0.00 N ATOM 282 CA SER A 22 -9.090 -2.046 0.878 1.00 0.00 C ATOM 283 C SER A 22 -8.629 -3.373 0.282 1.00 0.00 C ATOM 284 O SER A 22 -8.690 -3.575 -0.931 1.00 0.00 O ATOM 285 CB SER A 22 -10.522 -1.744 0.435 1.00 0.00 C ATOM 286 OG SER A 22 -11.332 -2.905 0.498 1.00 0.00 O ATOM 0 H SER A 22 -8.437 -0.522 -0.406 1.00 0.00 H new ATOM 0 HA SER A 22 -9.064 -2.127 1.965 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.946 -0.966 1.070 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.516 -1.356 -0.583 1.00 0.00 H new ATOM 0 HG SER A 22 -12.243 -2.684 0.211 1.00 0.00 H new ATOM 292 N ILE A 23 -8.170 -4.274 1.145 1.00 0.00 N ATOM 293 CA ILE A 23 -7.700 -5.581 0.704 1.00 0.00 C ATOM 294 C ILE A 23 -7.961 -6.646 1.765 1.00 0.00 C ATOM 295 O ILE A 23 -7.771 -6.425 2.961 1.00 0.00 O ATOM 296 CB ILE A 23 -6.196 -5.558 0.375 1.00 0.00 C ATOM 297 CG1 ILE A 23 -5.911 -4.549 -0.738 1.00 0.00 C ATOM 298 CG2 ILE A 23 -5.720 -6.947 -0.026 1.00 0.00 C ATOM 299 CD1 ILE A 23 -4.437 -4.288 -0.954 1.00 0.00 C ATOM 0 H ILE A 23 -8.114 -4.123 2.152 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.257 -5.827 -0.200 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.649 -5.251 1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.347 -4.913 -1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.407 -3.608 -0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.655 -6.914 -0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.893 -7.642 0.796 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.271 -7.280 -0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.310 -3.563 -1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.999 -3.894 -0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.938 -5.219 -1.223 1.00 0.00 H new ATOM 311 N PRO A 24 -8.406 -7.830 1.319 1.00 0.00 N ATOM 312 CA PRO A 24 -8.700 -8.953 2.213 1.00 0.00 C ATOM 313 C PRO A 24 -7.439 -9.549 2.830 1.00 0.00 C ATOM 314 O PRO A 24 -6.400 -9.637 2.177 1.00 0.00 O ATOM 315 CB PRO A 24 -9.377 -9.971 1.293 1.00 0.00 C ATOM 316 CG PRO A 24 -8.863 -9.652 -0.069 1.00 0.00 C ATOM 317 CD PRO A 24 -8.655 -8.163 -0.094 1.00 0.00 C ATOM 0 HA PRO A 24 -9.314 -8.649 3.060 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.127 -10.992 1.581 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.463 -9.884 1.337 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.930 -10.180 -0.268 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.573 -9.960 -0.836 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.812 -7.886 -0.727 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.530 -7.641 -0.482 1.00 0.00 H new ATOM 325 N ALA A 25 -7.539 -9.955 4.092 1.00 0.00 N ATOM 326 CA ALA A 25 -6.406 -10.544 4.795 1.00 0.00 C ATOM 327 C ALA A 25 -5.959 -11.840 4.127 1.00 0.00 C ATOM 328 O ALA A 25 -4.839 -12.306 4.340 1.00 0.00 O ATOM 329 CB ALA A 25 -6.764 -10.796 6.252 1.00 0.00 C ATOM 0 H ALA A 25 -8.392 -9.887 4.647 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.576 -9.839 4.752 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.909 -11.236 6.766 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.029 -9.853 6.730 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.611 -11.480 6.305 1.00 0.00 H new ATOM 335 N LYS A 26 -6.839 -12.418 3.318 1.00 0.00 N ATOM 336 CA LYS A 26 -6.535 -13.660 2.617 1.00 0.00 C ATOM 337 C LYS A 26 -5.303 -13.497 1.731 1.00 0.00 C ATOM 338 O LYS A 26 -4.479 -14.405 1.626 1.00 0.00 O ATOM 339 CB LYS A 26 -7.732 -14.097 1.769 1.00 0.00 C ATOM 340 CG LYS A 26 -8.058 -13.139 0.637 1.00 0.00 C ATOM 341 CD LYS A 26 -9.557 -13.034 0.410 1.00 0.00 C ATOM 342 CE LYS A 26 -10.036 -14.044 -0.621 1.00 0.00 C ATOM 343 NZ LYS A 26 -10.181 -15.406 -0.037 1.00 0.00 N ATOM 0 H LYS A 26 -7.770 -12.046 3.131 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.326 -14.427 3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.530 -15.084 1.352 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.606 -14.196 2.413 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.654 -12.153 0.866 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.573 -13.478 -0.279 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.081 -13.197 1.352 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.806 -12.026 0.077 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.993 -13.720 -1.029 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.331 -14.078 -1.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.620 -16.038 -0.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.244 -15.774 0.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.781 -15.358 0.811 1.00 0.00 H new ATOM 357 N LEU A 27 -5.186 -12.336 1.098 1.00 0.00 N ATOM 358 CA LEU A 27 -4.053 -12.054 0.223 1.00 0.00 C ATOM 359 C LEU A 27 -2.849 -11.573 1.027 1.00 0.00 C ATOM 360 O LEU A 27 -1.710 -11.935 0.734 1.00 0.00 O ATOM 361 CB LEU A 27 -4.438 -11.001 -0.818 1.00 0.00 C ATOM 362 CG LEU A 27 -5.639 -11.339 -1.702 1.00 0.00 C ATOM 363 CD1 LEU A 27 -6.090 -10.114 -2.482 1.00 0.00 C ATOM 364 CD2 LEU A 27 -5.298 -12.480 -2.651 1.00 0.00 C ATOM 0 H LEU A 27 -5.861 -11.575 1.174 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.780 -12.978 -0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.646 -10.065 -0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.577 -10.824 -1.462 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.460 -11.658 -1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.946 -10.374 -3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.374 -9.324 -1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.274 -9.764 -3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.164 -12.707 -3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.462 -12.187 -3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.023 -13.363 -2.074 1.00 0.00 H new ATOM 376 N HIS A 28 -3.110 -10.757 2.044 1.00 0.00 N ATOM 377 CA HIS A 28 -2.048 -10.230 2.893 1.00 0.00 C ATOM 378 C HIS A 28 -0.929 -11.253 3.062 1.00 0.00 C ATOM 379 O HIS A 28 0.233 -10.966 2.781 1.00 0.00 O ATOM 380 CB HIS A 28 -2.607 -9.838 4.261 1.00 0.00 C ATOM 381 CG HIS A 28 -3.548 -8.673 4.212 1.00 0.00 C ATOM 382 ND1 HIS A 28 -4.053 -8.066 5.343 1.00 0.00 N ATOM 383 CD2 HIS A 28 -4.074 -8.003 3.161 1.00 0.00 C ATOM 384 CE1 HIS A 28 -4.850 -7.074 4.988 1.00 0.00 C ATOM 385 NE2 HIS A 28 -4.880 -7.015 3.668 1.00 0.00 N ATOM 0 H HIS A 28 -4.047 -10.447 2.300 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.636 -9.344 2.409 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.125 -10.695 4.692 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.779 -9.598 4.928 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -3.893 -8.208 2.116 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.386 -6.422 5.662 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -5.415 -6.344 3.116 1.00 0.00 H new ATOM 393 N ASN A 29 -1.289 -12.446 3.523 1.00 0.00 N ATOM 394 CA ASN A 29 -0.315 -13.511 3.731 1.00 0.00 C ATOM 395 C ASN A 29 0.463 -13.794 2.450 1.00 0.00 C ATOM 396 O ASN A 29 1.692 -13.871 2.461 1.00 0.00 O ATOM 397 CB ASN A 29 -1.014 -14.785 4.208 1.00 0.00 C ATOM 398 CG ASN A 29 -2.070 -14.506 5.261 1.00 0.00 C ATOM 399 OD1 ASN A 29 -3.117 -13.929 4.968 1.00 0.00 O ATOM 400 ND2 ASN A 29 -1.798 -14.915 6.495 1.00 0.00 N ATOM 0 H ASN A 29 -2.248 -12.700 3.760 1.00 0.00 H new ATOM 0 HA ASN A 29 0.387 -13.182 4.497 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.477 -15.283 3.356 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.272 -15.473 4.614 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.470 -14.755 7.245 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.917 -15.390 6.692 1.00 0.00 H new ATOM 407 N SER A 30 -0.261 -13.947 1.345 1.00 0.00 N ATOM 408 CA SER A 30 0.360 -14.225 0.056 1.00 0.00 C ATOM 409 C SER A 30 1.251 -13.064 -0.379 1.00 0.00 C ATOM 410 O SER A 30 2.461 -13.223 -0.545 1.00 0.00 O ATOM 411 CB SER A 30 -0.711 -14.485 -1.005 1.00 0.00 C ATOM 412 OG SER A 30 -1.506 -15.606 -0.661 1.00 0.00 O ATOM 0 H SER A 30 -1.279 -13.883 1.317 1.00 0.00 H new ATOM 0 HA SER A 30 0.979 -15.116 0.163 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.344 -13.604 -1.111 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.237 -14.654 -1.972 1.00 0.00 H new ATOM 0 HG SER A 30 -2.184 -15.751 -1.353 1.00 0.00 H new ATOM 418 N LEU A 31 0.644 -11.898 -0.562 1.00 0.00 N ATOM 419 CA LEU A 31 1.380 -10.709 -0.977 1.00 0.00 C ATOM 420 C LEU A 31 2.656 -10.544 -0.159 1.00 0.00 C ATOM 421 O LEU A 31 3.750 -10.428 -0.713 1.00 0.00 O ATOM 422 CB LEU A 31 0.503 -9.464 -0.831 1.00 0.00 C ATOM 423 CG LEU A 31 -0.335 -9.085 -2.053 1.00 0.00 C ATOM 424 CD1 LEU A 31 -1.619 -8.390 -1.626 1.00 0.00 C ATOM 425 CD2 LEU A 31 0.467 -8.197 -2.994 1.00 0.00 C ATOM 0 H LEU A 31 -0.356 -11.750 -0.430 1.00 0.00 H new ATOM 0 HA LEU A 31 1.655 -10.831 -2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.170 -9.615 0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.145 -8.620 -0.580 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.601 -9.998 -2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.202 -8.128 -2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.201 -9.059 -0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.375 -7.484 -1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.144 -7.937 -3.858 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.763 -7.287 -2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.357 -8.730 -3.327 1.00 0.00 H new ATOM 437 N ILE A 32 2.509 -10.538 1.161 1.00 0.00 N ATOM 438 CA ILE A 32 3.651 -10.393 2.056 1.00 0.00 C ATOM 439 C ILE A 32 4.742 -11.404 1.724 1.00 0.00 C ATOM 440 O ILE A 32 5.858 -11.032 1.362 1.00 0.00 O ATOM 441 CB ILE A 32 3.238 -10.566 3.529 1.00 0.00 C ATOM 442 CG1 ILE A 32 2.187 -9.522 3.913 1.00 0.00 C ATOM 443 CG2 ILE A 32 4.454 -10.461 4.437 1.00 0.00 C ATOM 444 CD1 ILE A 32 1.230 -9.993 4.985 1.00 0.00 C ATOM 0 H ILE A 32 1.611 -10.632 1.635 1.00 0.00 H new ATOM 0 HA ILE A 32 4.038 -9.384 1.912 1.00 0.00 H new ATOM 0 HB ILE A 32 2.801 -11.557 3.654 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.692 -8.620 4.259 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.618 -9.248 3.025 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.145 -10.585 5.475 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.171 -11.239 4.176 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.918 -9.483 4.312 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.514 -9.202 5.206 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.697 -10.877 4.634 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.788 -10.240 5.888 1.00 0.00 H new ATOM 456 N GLY A 33 4.412 -12.686 1.846 1.00 0.00 N ATOM 457 CA GLY A 33 5.375 -13.732 1.554 1.00 0.00 C ATOM 458 C GLY A 33 5.641 -14.626 2.748 1.00 0.00 C ATOM 459 O GLY A 33 4.939 -14.552 3.758 1.00 0.00 O ATOM 0 H GLY A 33 3.495 -13.019 2.142 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.008 -14.338 0.725 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.311 -13.279 1.228 1.00 0.00 H new ATOM 463 N THR A 34 6.658 -15.475 2.636 1.00 0.00 N ATOM 464 CA THR A 34 7.014 -16.389 3.713 1.00 0.00 C ATOM 465 C THR A 34 7.609 -15.636 4.898 1.00 0.00 C ATOM 466 O THR A 34 7.307 -15.936 6.053 1.00 0.00 O ATOM 467 CB THR A 34 8.021 -17.454 3.239 1.00 0.00 C ATOM 468 OG1 THR A 34 8.423 -18.274 4.340 1.00 0.00 O ATOM 469 CG2 THR A 34 9.244 -16.801 2.612 1.00 0.00 C ATOM 0 H THR A 34 7.250 -15.548 1.809 1.00 0.00 H new ATOM 0 HA THR A 34 6.094 -16.884 4.024 1.00 0.00 H new ATOM 0 HB THR A 34 7.533 -18.073 2.486 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.062 -18.949 4.029 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.941 -17.573 2.285 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.937 -16.202 1.755 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.731 -16.160 3.347 1.00 0.00 H new ATOM 477 N LYS A 35 8.457 -14.655 4.605 1.00 0.00 N ATOM 478 CA LYS A 35 9.094 -13.857 5.645 1.00 0.00 C ATOM 479 C LYS A 35 9.012 -12.370 5.317 1.00 0.00 C ATOM 480 O LYS A 35 9.819 -11.573 5.795 1.00 0.00 O ATOM 481 CB LYS A 35 10.558 -14.273 5.811 1.00 0.00 C ATOM 482 CG LYS A 35 11.286 -14.478 4.493 1.00 0.00 C ATOM 483 CD LYS A 35 11.915 -13.187 3.998 1.00 0.00 C ATOM 484 CE LYS A 35 13.330 -13.018 4.528 1.00 0.00 C ATOM 485 NZ LYS A 35 13.351 -12.304 5.836 1.00 0.00 N ATOM 0 H LYS A 35 8.719 -14.394 3.654 1.00 0.00 H new ATOM 0 HA LYS A 35 8.563 -14.035 6.580 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.080 -13.511 6.390 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.601 -15.197 6.388 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.059 -15.236 4.617 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.588 -14.854 3.745 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.931 -13.183 2.908 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.304 -12.340 4.311 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.795 -13.997 4.641 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.926 -12.464 3.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.279 -11.854 5.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.608 -11.576 5.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.181 -12.983 6.605 1.00 0.00 H new ATOM 499 N GLY A 36 8.030 -12.002 4.499 1.00 0.00 N ATOM 500 CA GLY A 36 7.859 -10.611 4.123 1.00 0.00 C ATOM 501 C GLY A 36 8.827 -10.181 3.039 1.00 0.00 C ATOM 502 O GLY A 36 9.391 -9.089 3.098 1.00 0.00 O ATOM 0 H GLY A 36 7.350 -12.643 4.090 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.837 -10.454 3.777 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.998 -9.981 5.001 1.00 0.00 H new ATOM 506 N ARG A 37 9.022 -11.043 2.046 1.00 0.00 N ATOM 507 CA ARG A 37 9.931 -10.748 0.945 1.00 0.00 C ATOM 508 C ARG A 37 9.199 -10.040 -0.191 1.00 0.00 C ATOM 509 O ARG A 37 9.576 -8.941 -0.598 1.00 0.00 O ATOM 510 CB ARG A 37 10.575 -12.035 0.427 1.00 0.00 C ATOM 511 CG ARG A 37 11.332 -11.855 -0.879 1.00 0.00 C ATOM 512 CD ARG A 37 12.227 -13.049 -1.172 1.00 0.00 C ATOM 513 NE ARG A 37 13.093 -12.814 -2.325 1.00 0.00 N ATOM 514 CZ ARG A 37 14.208 -13.498 -2.557 1.00 0.00 C ATOM 515 NH1 ARG A 37 14.589 -14.455 -1.723 1.00 0.00 N ATOM 516 NH2 ARG A 37 14.943 -13.225 -3.628 1.00 0.00 N ATOM 0 H ARG A 37 8.562 -11.951 1.982 1.00 0.00 H new ATOM 0 HA ARG A 37 10.711 -10.085 1.320 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.259 -12.419 1.184 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.800 -12.788 0.287 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.623 -11.721 -1.696 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.936 -10.949 -0.829 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.839 -13.266 -0.297 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.610 -13.928 -1.355 1.00 0.00 H new ATOM 0 HE ARG A 37 12.827 -12.085 -2.988 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.026 -14.668 -0.900 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.446 -14.978 -1.904 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.652 -12.490 -4.273 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.799 -13.750 -3.806 1.00 0.00 H new ATOM 530 N LEU A 38 8.148 -10.677 -0.698 1.00 0.00 N ATOM 531 CA LEU A 38 7.362 -10.110 -1.788 1.00 0.00 C ATOM 532 C LEU A 38 7.057 -8.638 -1.529 1.00 0.00 C ATOM 533 O LEU A 38 6.946 -7.844 -2.464 1.00 0.00 O ATOM 534 CB LEU A 38 6.057 -10.890 -1.961 1.00 0.00 C ATOM 535 CG LEU A 38 6.106 -12.074 -2.927 1.00 0.00 C ATOM 536 CD1 LEU A 38 4.927 -13.005 -2.692 1.00 0.00 C ATOM 537 CD2 LEU A 38 6.124 -11.585 -4.368 1.00 0.00 C ATOM 0 H LEU A 38 7.821 -11.586 -0.371 1.00 0.00 H new ATOM 0 HA LEU A 38 7.948 -10.186 -2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.744 -11.257 -0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.287 -10.199 -2.303 1.00 0.00 H new ATOM 0 HG LEU A 38 7.024 -12.632 -2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.979 -13.841 -3.389 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.959 -13.382 -1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.996 -12.460 -2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.159 -12.441 -5.042 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.224 -11.003 -4.566 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.002 -10.960 -4.529 1.00 0.00 H new ATOM 549 N ILE A 39 6.925 -8.280 -0.256 1.00 0.00 N ATOM 550 CA ILE A 39 6.637 -6.903 0.124 1.00 0.00 C ATOM 551 C ILE A 39 7.922 -6.118 0.365 1.00 0.00 C ATOM 552 O ILE A 39 8.064 -4.984 -0.094 1.00 0.00 O ATOM 553 CB ILE A 39 5.766 -6.841 1.392 1.00 0.00 C ATOM 554 CG1 ILE A 39 4.312 -7.180 1.056 1.00 0.00 C ATOM 555 CG2 ILE A 39 5.859 -5.462 2.031 1.00 0.00 C ATOM 556 CD1 ILE A 39 3.573 -6.055 0.365 1.00 0.00 C ATOM 0 H ILE A 39 7.013 -8.925 0.529 1.00 0.00 H new ATOM 0 HA ILE A 39 6.091 -6.454 -0.706 1.00 0.00 H new ATOM 0 HB ILE A 39 6.136 -7.578 2.105 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.292 -8.063 0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.786 -7.439 1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.238 -5.433 2.926 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.895 -5.255 2.301 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.511 -4.709 1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.549 -6.366 0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.562 -5.177 1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.075 -5.811 -0.571 1.00 0.00 H new ATOM 568 N ARG A 40 8.857 -6.731 1.085 1.00 0.00 N ATOM 569 CA ARG A 40 10.132 -6.090 1.385 1.00 0.00 C ATOM 570 C ARG A 40 10.778 -5.543 0.116 1.00 0.00 C ATOM 571 O ARG A 40 11.344 -4.450 0.117 1.00 0.00 O ATOM 572 CB ARG A 40 11.077 -7.082 2.066 1.00 0.00 C ATOM 573 CG ARG A 40 10.969 -7.083 3.583 1.00 0.00 C ATOM 574 CD ARG A 40 11.883 -6.041 4.207 1.00 0.00 C ATOM 575 NE ARG A 40 11.640 -5.886 5.639 1.00 0.00 N ATOM 576 CZ ARG A 40 12.435 -5.198 6.450 1.00 0.00 C ATOM 577 NH1 ARG A 40 13.520 -4.604 5.972 1.00 0.00 N ATOM 578 NH2 ARG A 40 12.146 -5.102 7.741 1.00 0.00 N ATOM 0 H ARG A 40 8.755 -7.670 1.471 1.00 0.00 H new ATOM 0 HA ARG A 40 9.941 -5.257 2.062 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.867 -8.085 1.695 1.00 0.00 H new ATOM 0 HB3 ARG A 40 12.103 -6.846 1.783 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.938 -6.886 3.876 1.00 0.00 H new ATOM 0 HG3 ARG A 40 11.226 -8.070 3.967 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.922 -6.327 4.045 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.734 -5.083 3.708 1.00 0.00 H new ATOM 0 HE ARG A 40 10.814 -6.331 6.038 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.745 -4.675 4.980 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.129 -4.076 6.597 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.312 -5.557 8.112 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.758 -4.573 8.363 1.00 0.00 H new ATOM 592 N SER A 41 10.691 -6.312 -0.965 1.00 0.00 N ATOM 593 CA SER A 41 11.271 -5.908 -2.239 1.00 0.00 C ATOM 594 C SER A 41 10.615 -4.630 -2.754 1.00 0.00 C ATOM 595 O SER A 41 11.279 -3.610 -2.939 1.00 0.00 O ATOM 596 CB SER A 41 11.115 -7.025 -3.272 1.00 0.00 C ATOM 597 OG SER A 41 11.950 -6.801 -4.396 1.00 0.00 O ATOM 0 H SER A 41 10.224 -7.219 -0.983 1.00 0.00 H new ATOM 0 HA SER A 41 12.332 -5.714 -2.081 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.363 -7.983 -2.816 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.075 -7.085 -3.594 1.00 0.00 H new ATOM 0 HG SER A 41 11.833 -7.530 -5.041 1.00 0.00 H new ATOM 603 N ILE A 42 9.307 -4.694 -2.984 1.00 0.00 N ATOM 604 CA ILE A 42 8.561 -3.543 -3.475 1.00 0.00 C ATOM 605 C ILE A 42 8.932 -2.279 -2.708 1.00 0.00 C ATOM 606 O ILE A 42 9.096 -1.210 -3.296 1.00 0.00 O ATOM 607 CB ILE A 42 7.042 -3.769 -3.366 1.00 0.00 C ATOM 608 CG1 ILE A 42 6.610 -4.929 -4.267 1.00 0.00 C ATOM 609 CG2 ILE A 42 6.290 -2.499 -3.732 1.00 0.00 C ATOM 610 CD1 ILE A 42 5.169 -5.346 -4.067 1.00 0.00 C ATOM 0 H ILE A 42 8.743 -5.531 -2.838 1.00 0.00 H new ATOM 0 HA ILE A 42 8.827 -3.419 -4.525 1.00 0.00 H new ATOM 0 HB ILE A 42 6.801 -4.026 -2.334 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.756 -4.643 -5.309 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.257 -5.786 -4.078 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.217 -2.675 -3.650 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.579 -1.697 -3.053 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.534 -2.214 -4.755 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.933 -6.172 -4.738 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.022 -5.663 -3.035 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.513 -4.503 -4.284 1.00 0.00 H new ATOM 622 N MET A 43 9.064 -2.409 -1.392 1.00 0.00 N ATOM 623 CA MET A 43 9.420 -1.277 -0.544 1.00 0.00 C ATOM 624 C MET A 43 10.734 -0.650 -0.998 1.00 0.00 C ATOM 625 O MET A 43 10.815 0.560 -1.205 1.00 0.00 O ATOM 626 CB MET A 43 9.528 -1.720 0.916 1.00 0.00 C ATOM 627 CG MET A 43 8.197 -2.117 1.532 1.00 0.00 C ATOM 628 SD MET A 43 8.183 -1.945 3.326 1.00 0.00 S ATOM 629 CE MET A 43 9.300 -3.263 3.801 1.00 0.00 C ATOM 0 H MET A 43 8.930 -3.287 -0.890 1.00 0.00 H new ATOM 0 HA MET A 43 8.633 -0.528 -0.630 1.00 0.00 H new ATOM 0 HB2 MET A 43 10.215 -2.564 0.981 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.962 -0.910 1.502 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.406 -1.501 1.106 1.00 0.00 H new ATOM 0 HG3 MET A 43 7.973 -3.151 1.268 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.619 -3.115 4.833 1.00 0.00 H new ATOM 0 HE2 MET A 43 8.790 -4.222 3.713 1.00 0.00 H new ATOM 0 HE3 MET A 43 10.172 -3.254 3.147 1.00 0.00 H new ATOM 639 N GLU A 44 11.760 -1.481 -1.148 1.00 0.00 N ATOM 640 CA GLU A 44 13.071 -1.006 -1.576 1.00 0.00 C ATOM 641 C GLU A 44 13.027 -0.514 -3.019 1.00 0.00 C ATOM 642 O GLU A 44 13.298 0.655 -3.296 1.00 0.00 O ATOM 643 CB GLU A 44 14.112 -2.119 -1.437 1.00 0.00 C ATOM 644 CG GLU A 44 15.545 -1.632 -1.565 1.00 0.00 C ATOM 645 CD GLU A 44 16.532 -2.766 -1.755 1.00 0.00 C ATOM 646 OE1 GLU A 44 16.545 -3.688 -0.911 1.00 0.00 O ATOM 647 OE2 GLU A 44 17.293 -2.733 -2.744 1.00 0.00 O ATOM 0 H GLU A 44 11.709 -2.486 -0.980 1.00 0.00 H new ATOM 0 HA GLU A 44 13.354 -0.172 -0.934 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.987 -2.603 -0.468 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.925 -2.877 -2.198 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.618 -0.947 -2.410 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.814 -1.067 -0.672 1.00 0.00 H new ATOM 654 N GLU A 45 12.684 -1.414 -3.935 1.00 0.00 N ATOM 655 CA GLU A 45 12.605 -1.071 -5.351 1.00 0.00 C ATOM 656 C GLU A 45 11.886 0.261 -5.549 1.00 0.00 C ATOM 657 O GLU A 45 12.341 1.117 -6.308 1.00 0.00 O ATOM 658 CB GLU A 45 11.884 -2.174 -6.127 1.00 0.00 C ATOM 659 CG GLU A 45 12.581 -3.522 -6.060 1.00 0.00 C ATOM 660 CD GLU A 45 14.007 -3.467 -6.574 1.00 0.00 C ATOM 661 OE1 GLU A 45 14.211 -2.979 -7.706 1.00 0.00 O ATOM 662 OE2 GLU A 45 14.918 -3.912 -5.845 1.00 0.00 O ATOM 0 H GLU A 45 12.456 -2.385 -3.723 1.00 0.00 H new ATOM 0 HA GLU A 45 13.622 -0.975 -5.732 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.872 -2.278 -5.737 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.794 -1.873 -7.171 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.584 -3.875 -5.029 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.016 -4.249 -6.644 1.00 0.00 H new ATOM 669 N CYS A 46 10.761 0.426 -4.863 1.00 0.00 N ATOM 670 CA CYS A 46 9.977 1.652 -4.964 1.00 0.00 C ATOM 671 C CYS A 46 10.796 2.859 -4.519 1.00 0.00 C ATOM 672 O CYS A 46 10.970 3.816 -5.273 1.00 0.00 O ATOM 673 CB CYS A 46 8.708 1.542 -4.117 1.00 0.00 C ATOM 674 SG CYS A 46 7.344 0.686 -4.941 1.00 0.00 S ATOM 0 H CYS A 46 10.371 -0.273 -4.231 1.00 0.00 H new ATOM 0 HA CYS A 46 9.697 1.790 -6.008 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.946 1.018 -3.191 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.380 2.544 -3.841 1.00 0.00 H new ATOM 0 HG CYS A 46 6.494 0.266 -4.051 1.00 0.00 H new ATOM 680 N GLY A 47 11.295 2.808 -3.288 1.00 0.00 N ATOM 681 CA GLY A 47 12.089 3.904 -2.763 1.00 0.00 C ATOM 682 C GLY A 47 12.451 3.712 -1.303 1.00 0.00 C ATOM 683 O GLY A 47 13.549 4.065 -0.877 1.00 0.00 O ATOM 0 H GLY A 47 11.164 2.027 -2.645 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.002 4.001 -3.351 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.536 4.836 -2.877 1.00 0.00 H new ATOM 687 N GLY A 48 11.522 3.150 -0.535 1.00 0.00 N ATOM 688 CA GLY A 48 11.768 2.922 0.878 1.00 0.00 C ATOM 689 C GLY A 48 10.536 3.166 1.727 1.00 0.00 C ATOM 690 O GLY A 48 10.633 3.684 2.839 1.00 0.00 O ATOM 0 H GLY A 48 10.605 2.849 -0.865 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.109 1.897 1.024 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.573 3.576 1.214 1.00 0.00 H new ATOM 694 N VAL A 49 9.374 2.793 1.201 1.00 0.00 N ATOM 695 CA VAL A 49 8.117 2.975 1.918 1.00 0.00 C ATOM 696 C VAL A 49 7.887 1.848 2.918 1.00 0.00 C ATOM 697 O VAL A 49 8.538 0.804 2.855 1.00 0.00 O ATOM 698 CB VAL A 49 6.921 3.038 0.948 1.00 0.00 C ATOM 699 CG1 VAL A 49 7.196 4.027 -0.174 1.00 0.00 C ATOM 700 CG2 VAL A 49 6.616 1.657 0.390 1.00 0.00 C ATOM 0 H VAL A 49 9.277 2.363 0.281 1.00 0.00 H new ATOM 0 HA VAL A 49 8.192 3.922 2.453 1.00 0.00 H new ATOM 0 HB VAL A 49 6.046 3.384 1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.341 4.058 -0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.362 5.018 0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.083 3.714 -0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.769 1.720 -0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.487 1.281 -0.146 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.373 0.979 1.208 1.00 0.00 H new ATOM 710 N HIS A 50 6.956 2.065 3.842 1.00 0.00 N ATOM 711 CA HIS A 50 6.638 1.065 4.856 1.00 0.00 C ATOM 712 C HIS A 50 5.177 0.638 4.759 1.00 0.00 C ATOM 713 O HIS A 50 4.276 1.477 4.735 1.00 0.00 O ATOM 714 CB HIS A 50 6.930 1.615 6.253 1.00 0.00 C ATOM 715 CG HIS A 50 8.364 1.994 6.459 1.00 0.00 C ATOM 716 ND1 HIS A 50 9.236 2.638 5.649 1.00 0.00 N flip ATOM 717 CD2 HIS A 50 9.058 1.709 7.617 1.00 0.00 C flip ATOM 718 CE1 HIS A 50 10.428 2.729 6.324 1.00 0.00 C flip ATOM 719 NE2 HIS A 50 10.294 2.162 7.509 1.00 0.00 N flip ATOM 0 H HIS A 50 6.409 2.923 3.910 1.00 0.00 H new ATOM 0 HA HIS A 50 7.265 0.191 4.679 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.303 2.489 6.429 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.650 0.867 6.995 1.00 0.00 H new ATOM 0 HD2 HIS A 50 8.654 1.196 8.477 1.00 0.00 H new ATOM 0 HE1 HIS A 50 11.329 3.190 5.947 1.00 0.00 H new ATOM 0 HE2 HIS A 50 11.021 2.087 8.220 1.00 0.00 H new ATOM 727 N ILE A 51 4.950 -0.670 4.704 1.00 0.00 N ATOM 728 CA ILE A 51 3.598 -1.207 4.610 1.00 0.00 C ATOM 729 C ILE A 51 3.226 -1.983 5.869 1.00 0.00 C ATOM 730 O ILE A 51 3.986 -2.834 6.334 1.00 0.00 O ATOM 731 CB ILE A 51 3.443 -2.130 3.387 1.00 0.00 C ATOM 732 CG1 ILE A 51 3.908 -1.413 2.118 1.00 0.00 C ATOM 733 CG2 ILE A 51 1.997 -2.583 3.246 1.00 0.00 C ATOM 734 CD1 ILE A 51 4.444 -2.348 1.058 1.00 0.00 C ATOM 0 H ILE A 51 5.685 -1.377 4.723 1.00 0.00 H new ATOM 0 HA ILE A 51 2.927 -0.355 4.500 1.00 0.00 H new ATOM 0 HB ILE A 51 4.067 -3.011 3.533 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.074 -0.847 1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.683 -0.692 2.381 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.903 -3.235 2.377 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.697 -3.127 4.142 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.354 -1.712 3.118 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.755 -1.771 0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.299 -2.896 1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.665 -3.053 0.767 1.00 0.00 H new ATOM 746 N HIS A 52 2.052 -1.686 6.416 1.00 0.00 N ATOM 747 CA HIS A 52 1.578 -2.358 7.621 1.00 0.00 C ATOM 748 C HIS A 52 0.403 -3.277 7.303 1.00 0.00 C ATOM 749 O HIS A 52 -0.552 -2.873 6.639 1.00 0.00 O ATOM 750 CB HIS A 52 1.166 -1.331 8.675 1.00 0.00 C ATOM 751 CG HIS A 52 2.326 -0.690 9.374 1.00 0.00 C ATOM 752 ND1 HIS A 52 2.664 -0.968 10.681 1.00 0.00 N ATOM 753 CD2 HIS A 52 3.231 0.217 8.938 1.00 0.00 C ATOM 754 CE1 HIS A 52 3.725 -0.258 11.020 1.00 0.00 C ATOM 755 NE2 HIS A 52 4.089 0.470 9.980 1.00 0.00 N ATOM 0 H HIS A 52 1.411 -0.985 6.044 1.00 0.00 H new ATOM 0 HA HIS A 52 2.395 -2.963 8.015 1.00 0.00 H new ATOM 0 HB2 HIS A 52 0.566 -0.555 8.199 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.530 -1.817 9.415 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.271 0.660 7.954 1.00 0.00 H new ATOM 0 HE1 HIS A 52 4.212 -0.271 11.984 1.00 0.00 H new ATOM 0 HE2 HIS A 52 4.879 1.115 9.955 1.00 0.00 H new ATOM 763 N PHE A 53 0.479 -4.515 7.780 1.00 0.00 N ATOM 764 CA PHE A 53 -0.578 -5.492 7.545 1.00 0.00 C ATOM 765 C PHE A 53 -1.144 -6.007 8.865 1.00 0.00 C ATOM 766 O PHE A 53 -0.431 -6.558 9.704 1.00 0.00 O ATOM 767 CB PHE A 53 -0.044 -6.661 6.715 1.00 0.00 C ATOM 768 CG PHE A 53 -0.086 -6.414 5.234 1.00 0.00 C ATOM 769 CD1 PHE A 53 -1.283 -6.494 4.539 1.00 0.00 C ATOM 770 CD2 PHE A 53 1.069 -6.101 4.537 1.00 0.00 C ATOM 771 CE1 PHE A 53 -1.324 -6.268 3.176 1.00 0.00 C ATOM 772 CE2 PHE A 53 1.033 -5.873 3.175 1.00 0.00 C ATOM 773 CZ PHE A 53 -0.165 -5.955 2.493 1.00 0.00 C ATOM 0 H PHE A 53 1.262 -4.866 8.332 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.379 -5.000 6.994 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.984 -6.867 7.012 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.626 -7.554 6.943 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.193 -6.735 5.068 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.009 -6.034 5.065 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.262 -6.336 2.645 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.942 -5.631 2.644 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.196 -5.775 1.429 1.00 0.00 H new ATOM 783 N PRO A 54 -2.460 -5.825 9.054 1.00 0.00 N ATOM 784 CA PRO A 54 -3.153 -6.263 10.269 1.00 0.00 C ATOM 785 C PRO A 54 -3.251 -7.782 10.365 1.00 0.00 C ATOM 786 O PRO A 54 -3.170 -8.484 9.356 1.00 0.00 O ATOM 787 CB PRO A 54 -4.547 -5.645 10.125 1.00 0.00 C ATOM 788 CG PRO A 54 -4.735 -5.474 8.658 1.00 0.00 C ATOM 789 CD PRO A 54 -3.371 -5.176 8.097 1.00 0.00 C ATOM 0 HA PRO A 54 -2.626 -5.955 11.172 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.313 -6.293 10.549 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.613 -4.690 10.647 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.152 -6.376 8.210 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.430 -4.662 8.446 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.253 -5.581 7.092 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.189 -4.103 8.032 1.00 0.00 H new ATOM 797 N VAL A 55 -3.426 -8.284 11.582 1.00 0.00 N ATOM 798 CA VAL A 55 -3.536 -9.719 11.809 1.00 0.00 C ATOM 799 C VAL A 55 -4.996 -10.156 11.874 1.00 0.00 C ATOM 800 O VAL A 55 -5.861 -9.397 12.311 1.00 0.00 O ATOM 801 CB VAL A 55 -2.829 -10.138 13.112 1.00 0.00 C ATOM 802 CG1 VAL A 55 -3.690 -9.804 14.319 1.00 0.00 C ATOM 803 CG2 VAL A 55 -2.491 -11.622 13.081 1.00 0.00 C ATOM 0 H VAL A 55 -3.495 -7.717 12.427 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.050 -10.210 10.966 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.898 -9.578 13.195 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.173 -10.108 15.230 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.875 -8.730 14.348 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.640 -10.334 14.247 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.992 -11.901 14.009 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.408 -12.202 12.973 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.831 -11.827 12.238 1.00 0.00 H new ATOM 813 N GLU A 56 -5.262 -11.383 11.438 1.00 0.00 N ATOM 814 CA GLU A 56 -6.618 -11.919 11.447 1.00 0.00 C ATOM 815 C GLU A 56 -7.391 -11.423 12.665 1.00 0.00 C ATOM 816 O GLU A 56 -8.431 -10.778 12.534 1.00 0.00 O ATOM 817 CB GLU A 56 -6.585 -13.448 11.437 1.00 0.00 C ATOM 818 CG GLU A 56 -7.746 -14.077 10.684 1.00 0.00 C ATOM 819 CD GLU A 56 -8.929 -14.380 11.582 1.00 0.00 C ATOM 820 OE1 GLU A 56 -9.080 -13.696 12.617 1.00 0.00 O ATOM 821 OE2 GLU A 56 -9.705 -15.302 11.251 1.00 0.00 O ATOM 0 H GLU A 56 -4.557 -12.024 11.074 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.126 -11.568 10.549 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.649 -13.780 10.988 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.591 -13.810 12.465 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.063 -13.405 9.886 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.409 -14.999 10.210 1.00 0.00 H new ATOM 828 N GLY A 57 -6.875 -11.731 13.852 1.00 0.00 N ATOM 829 CA GLY A 57 -7.530 -11.310 15.076 1.00 0.00 C ATOM 830 C GLY A 57 -7.968 -9.860 15.032 1.00 0.00 C ATOM 831 O GLY A 57 -9.067 -9.522 15.470 1.00 0.00 O ATOM 0 H GLY A 57 -6.016 -12.264 13.987 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.399 -11.943 15.255 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.851 -11.455 15.916 1.00 0.00 H new ATOM 835 N SER A 58 -7.103 -8.999 14.502 1.00 0.00 N ATOM 836 CA SER A 58 -7.405 -7.575 14.407 1.00 0.00 C ATOM 837 C SER A 58 -8.768 -7.350 13.760 1.00 0.00 C ATOM 838 O SER A 58 -9.550 -6.512 14.208 1.00 0.00 O ATOM 839 CB SER A 58 -6.321 -6.856 13.601 1.00 0.00 C ATOM 840 OG SER A 58 -6.312 -5.468 13.884 1.00 0.00 O ATOM 0 H SER A 58 -6.189 -9.263 14.133 1.00 0.00 H new ATOM 0 HA SER A 58 -7.430 -7.166 15.417 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.346 -7.284 13.834 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.492 -7.012 12.536 1.00 0.00 H new ATOM 0 HG SER A 58 -5.610 -5.031 13.358 1.00 0.00 H new ATOM 846 N GLY A 59 -9.047 -8.106 12.703 1.00 0.00 N ATOM 847 CA GLY A 59 -10.316 -7.975 12.011 1.00 0.00 C ATOM 848 C GLY A 59 -10.374 -6.738 11.137 1.00 0.00 C ATOM 849 O GLY A 59 -11.427 -6.112 11.006 1.00 0.00 O ATOM 0 H GLY A 59 -8.417 -8.807 12.313 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.484 -8.859 11.396 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.123 -7.938 12.743 1.00 0.00 H new ATOM 853 N SER A 60 -9.242 -6.384 10.538 1.00 0.00 N ATOM 854 CA SER A 60 -9.168 -5.210 9.676 1.00 0.00 C ATOM 855 C SER A 60 -8.546 -5.564 8.328 1.00 0.00 C ATOM 856 O SER A 60 -7.376 -5.938 8.252 1.00 0.00 O ATOM 857 CB SER A 60 -8.353 -4.106 10.352 1.00 0.00 C ATOM 858 OG SER A 60 -8.340 -2.927 9.567 1.00 0.00 O ATOM 0 H SER A 60 -8.363 -6.893 10.634 1.00 0.00 H new ATOM 0 HA SER A 60 -10.183 -4.850 9.505 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.774 -3.888 11.333 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.331 -4.451 10.513 1.00 0.00 H new ATOM 0 HG SER A 60 -7.814 -2.237 10.022 1.00 0.00 H new ATOM 864 N ASP A 61 -9.339 -5.443 7.269 1.00 0.00 N ATOM 865 CA ASP A 61 -8.867 -5.749 5.924 1.00 0.00 C ATOM 866 C ASP A 61 -8.318 -4.498 5.242 1.00 0.00 C ATOM 867 O ASP A 61 -8.523 -4.288 4.047 1.00 0.00 O ATOM 868 CB ASP A 61 -10.001 -6.344 5.087 1.00 0.00 C ATOM 869 CG ASP A 61 -10.713 -7.477 5.799 1.00 0.00 C ATOM 870 OD1 ASP A 61 -10.193 -8.612 5.775 1.00 0.00 O ATOM 871 OD2 ASP A 61 -11.790 -7.229 6.379 1.00 0.00 O ATOM 0 H ASP A 61 -10.310 -5.136 7.316 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.062 -6.480 6.005 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.720 -5.561 4.846 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.598 -6.709 4.142 1.00 0.00 H new ATOM 876 N THR A 62 -7.621 -3.669 6.013 1.00 0.00 N ATOM 877 CA THR A 62 -7.045 -2.439 5.486 1.00 0.00 C ATOM 878 C THR A 62 -5.525 -2.449 5.603 1.00 0.00 C ATOM 879 O THR A 62 -4.968 -3.026 6.538 1.00 0.00 O ATOM 880 CB THR A 62 -7.596 -1.202 6.219 1.00 0.00 C ATOM 881 OG1 THR A 62 -9.015 -1.119 6.041 1.00 0.00 O ATOM 882 CG2 THR A 62 -6.942 0.071 5.701 1.00 0.00 C ATOM 0 H THR A 62 -7.442 -3.828 7.005 1.00 0.00 H new ATOM 0 HA THR A 62 -7.325 -2.384 4.434 1.00 0.00 H new ATOM 0 HB THR A 62 -7.367 -1.305 7.280 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.358 -0.331 6.511 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.347 0.931 6.234 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.865 0.019 5.862 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.144 0.176 4.635 1.00 0.00 H new ATOM 890 N VAL A 63 -4.857 -1.807 4.651 1.00 0.00 N ATOM 891 CA VAL A 63 -3.400 -1.741 4.649 1.00 0.00 C ATOM 892 C VAL A 63 -2.916 -0.297 4.726 1.00 0.00 C ATOM 893 O VAL A 63 -3.119 0.488 3.799 1.00 0.00 O ATOM 894 CB VAL A 63 -2.810 -2.402 3.389 1.00 0.00 C ATOM 895 CG1 VAL A 63 -1.291 -2.359 3.425 1.00 0.00 C ATOM 896 CG2 VAL A 63 -3.308 -3.834 3.257 1.00 0.00 C ATOM 0 H VAL A 63 -5.302 -1.324 3.870 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.057 -2.284 5.530 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.144 -1.842 2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.892 -2.831 2.527 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.957 -1.322 3.469 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.933 -2.893 4.305 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.882 -4.286 2.362 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.004 -4.407 4.133 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.395 -3.836 3.182 1.00 0.00 H new ATOM 906 N VAL A 64 -2.273 0.047 5.837 1.00 0.00 N ATOM 907 CA VAL A 64 -1.757 1.397 6.035 1.00 0.00 C ATOM 908 C VAL A 64 -0.312 1.507 5.560 1.00 0.00 C ATOM 909 O VAL A 64 0.588 0.889 6.130 1.00 0.00 O ATOM 910 CB VAL A 64 -1.834 1.815 7.515 1.00 0.00 C ATOM 911 CG1 VAL A 64 -1.265 3.212 7.706 1.00 0.00 C ATOM 912 CG2 VAL A 64 -3.269 1.742 8.016 1.00 0.00 C ATOM 0 H VAL A 64 -2.097 -0.590 6.614 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.382 2.066 5.444 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.233 1.120 8.102 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.328 3.490 8.758 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.222 3.227 7.389 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.836 3.922 7.108 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.304 2.041 9.064 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.895 2.412 7.426 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.637 0.721 7.917 1.00 0.00 H new ATOM 922 N ILE A 65 -0.099 2.299 4.515 1.00 0.00 N ATOM 923 CA ILE A 65 1.237 2.493 3.965 1.00 0.00 C ATOM 924 C ILE A 65 1.775 3.879 4.302 1.00 0.00 C ATOM 925 O ILE A 65 1.028 4.857 4.323 1.00 0.00 O ATOM 926 CB ILE A 65 1.250 2.307 2.437 1.00 0.00 C ATOM 927 CG1 ILE A 65 0.640 0.954 2.060 1.00 0.00 C ATOM 928 CG2 ILE A 65 2.668 2.422 1.900 1.00 0.00 C ATOM 929 CD1 ILE A 65 0.390 0.796 0.577 1.00 0.00 C ATOM 0 H ILE A 65 -0.834 2.816 4.032 1.00 0.00 H new ATOM 0 HA ILE A 65 1.877 1.737 4.420 1.00 0.00 H new ATOM 0 HB ILE A 65 0.647 3.095 1.986 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.306 0.159 2.395 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.302 0.828 2.594 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.659 2.288 0.818 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.069 3.406 2.141 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.293 1.654 2.356 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.043 -0.186 0.383 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.300 1.570 0.240 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.332 0.890 0.037 1.00 0.00 H new ATOM 941 N ARG A 66 3.076 3.956 4.562 1.00 0.00 N ATOM 942 CA ARG A 66 3.715 5.223 4.897 1.00 0.00 C ATOM 943 C ARG A 66 4.934 5.468 4.014 1.00 0.00 C ATOM 944 O ARG A 66 5.569 4.527 3.540 1.00 0.00 O ATOM 945 CB ARG A 66 4.128 5.236 6.370 1.00 0.00 C ATOM 946 CG ARG A 66 3.050 5.769 7.300 1.00 0.00 C ATOM 947 CD ARG A 66 3.202 5.210 8.707 1.00 0.00 C ATOM 948 NE ARG A 66 2.602 6.085 9.711 1.00 0.00 N ATOM 949 CZ ARG A 66 3.220 7.142 10.227 1.00 0.00 C ATOM 950 NH1 ARG A 66 4.447 7.454 9.836 1.00 0.00 N ATOM 951 NH2 ARG A 66 2.608 7.890 11.137 1.00 0.00 N ATOM 0 H ARG A 66 3.708 3.156 4.547 1.00 0.00 H new ATOM 0 HA ARG A 66 2.995 6.022 4.721 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.390 4.223 6.674 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.026 5.844 6.482 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.101 6.857 7.332 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.067 5.507 6.908 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.736 4.226 8.759 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.260 5.074 8.931 1.00 0.00 H new ATOM 0 HE ARG A 66 1.658 5.873 10.033 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.920 6.882 9.137 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.918 8.266 10.234 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.663 7.653 11.440 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.082 8.701 11.533 1.00 0.00 H new ATOM 965 N GLY A 67 5.255 6.740 3.796 1.00 0.00 N ATOM 966 CA GLY A 67 6.397 7.085 2.969 1.00 0.00 C ATOM 967 C GLY A 67 6.083 8.189 1.979 1.00 0.00 C ATOM 968 O GLY A 67 5.016 8.802 2.019 1.00 0.00 O ATOM 0 H GLY A 67 4.745 7.537 4.177 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.223 7.398 3.608 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.730 6.200 2.428 1.00 0.00 H new ATOM 972 N PRO A 68 7.028 8.458 1.067 1.00 0.00 N ATOM 973 CA PRO A 68 6.871 9.498 0.046 1.00 0.00 C ATOM 974 C PRO A 68 5.827 9.128 -1.002 1.00 0.00 C ATOM 975 O PRO A 68 5.949 8.107 -1.679 1.00 0.00 O ATOM 976 CB PRO A 68 8.260 9.585 -0.590 1.00 0.00 C ATOM 977 CG PRO A 68 8.868 8.244 -0.357 1.00 0.00 C ATOM 978 CD PRO A 68 8.325 7.767 0.962 1.00 0.00 C ATOM 0 HA PRO A 68 6.524 10.439 0.473 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.195 9.811 -1.654 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.856 10.375 -0.133 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.608 7.553 -1.159 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.956 8.308 -0.331 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.206 6.684 0.979 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.987 8.028 1.787 1.00 0.00 H new ATOM 986 N SER A 69 4.802 9.964 -1.130 1.00 0.00 N ATOM 987 CA SER A 69 3.734 9.722 -2.094 1.00 0.00 C ATOM 988 C SER A 69 4.299 9.189 -3.407 1.00 0.00 C ATOM 989 O SER A 69 3.932 8.103 -3.858 1.00 0.00 O ATOM 990 CB SER A 69 2.948 11.009 -2.350 1.00 0.00 C ATOM 991 OG SER A 69 3.804 12.052 -2.783 1.00 0.00 O ATOM 0 H SER A 69 4.688 10.815 -0.579 1.00 0.00 H new ATOM 0 HA SER A 69 3.063 8.972 -1.675 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.182 10.827 -3.103 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.433 11.312 -1.438 1.00 0.00 H new ATOM 0 HG SER A 69 3.277 12.863 -2.941 1.00 0.00 H new ATOM 997 N SER A 70 5.194 9.960 -4.016 1.00 0.00 N ATOM 998 CA SER A 70 5.807 9.568 -5.280 1.00 0.00 C ATOM 999 C SER A 70 6.018 8.058 -5.336 1.00 0.00 C ATOM 1000 O SER A 70 5.854 7.437 -6.386 1.00 0.00 O ATOM 1001 CB SER A 70 7.144 10.288 -5.467 1.00 0.00 C ATOM 1002 OG SER A 70 6.972 11.695 -5.452 1.00 0.00 O ATOM 0 H SER A 70 5.511 10.860 -3.655 1.00 0.00 H new ATOM 0 HA SER A 70 5.132 9.853 -6.087 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.833 9.994 -4.675 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.596 9.984 -6.411 1.00 0.00 H new ATOM 0 HG SER A 70 7.841 12.132 -5.572 1.00 0.00 H new ATOM 1008 N ASP A 71 6.382 7.475 -4.200 1.00 0.00 N ATOM 1009 CA ASP A 71 6.613 6.038 -4.117 1.00 0.00 C ATOM 1010 C ASP A 71 5.337 5.303 -3.720 1.00 0.00 C ATOM 1011 O ASP A 71 4.966 4.304 -4.335 1.00 0.00 O ATOM 1012 CB ASP A 71 7.725 5.735 -3.112 1.00 0.00 C ATOM 1013 CG ASP A 71 9.075 6.254 -3.568 1.00 0.00 C ATOM 1014 OD1 ASP A 71 9.325 6.263 -4.792 1.00 0.00 O ATOM 1015 OD2 ASP A 71 9.881 6.652 -2.701 1.00 0.00 O ATOM 0 H ASP A 71 6.524 7.976 -3.323 1.00 0.00 H new ATOM 0 HA ASP A 71 6.920 5.688 -5.103 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.473 6.182 -2.150 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.787 4.658 -2.957 1.00 0.00 H new ATOM 1020 N VAL A 72 4.670 5.804 -2.685 1.00 0.00 N ATOM 1021 CA VAL A 72 3.434 5.196 -2.205 1.00 0.00 C ATOM 1022 C VAL A 72 2.473 4.922 -3.355 1.00 0.00 C ATOM 1023 O VAL A 72 1.932 3.824 -3.477 1.00 0.00 O ATOM 1024 CB VAL A 72 2.734 6.093 -1.167 1.00 0.00 C ATOM 1025 CG1 VAL A 72 1.535 5.377 -0.565 1.00 0.00 C ATOM 1026 CG2 VAL A 72 3.713 6.516 -0.082 1.00 0.00 C ATOM 0 H VAL A 72 4.965 6.629 -2.163 1.00 0.00 H new ATOM 0 HA VAL A 72 3.708 4.252 -1.733 1.00 0.00 H new ATOM 0 HB VAL A 72 2.376 6.991 -1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.053 6.026 0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.825 5.129 -1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.866 4.462 -0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.201 7.149 0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.103 5.631 0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.537 7.071 -0.531 1.00 0.00 H new ATOM 1036 N GLU A 73 2.265 5.929 -4.199 1.00 0.00 N ATOM 1037 CA GLU A 73 1.368 5.796 -5.340 1.00 0.00 C ATOM 1038 C GLU A 73 1.727 4.570 -6.175 1.00 0.00 C ATOM 1039 O GLU A 73 0.853 3.899 -6.723 1.00 0.00 O ATOM 1040 CB GLU A 73 1.423 7.053 -6.211 1.00 0.00 C ATOM 1041 CG GLU A 73 2.697 7.171 -7.030 1.00 0.00 C ATOM 1042 CD GLU A 73 2.579 8.187 -8.149 1.00 0.00 C ATOM 1043 OE1 GLU A 73 1.953 9.244 -7.928 1.00 0.00 O ATOM 1044 OE2 GLU A 73 3.114 7.924 -9.246 1.00 0.00 O ATOM 0 H GLU A 73 2.706 6.845 -4.113 1.00 0.00 H new ATOM 0 HA GLU A 73 0.354 5.671 -4.959 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.566 7.055 -6.885 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.329 7.931 -5.573 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.521 7.452 -6.374 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.944 6.197 -7.453 1.00 0.00 H new ATOM 1051 N LYS A 74 3.022 4.284 -6.268 1.00 0.00 N ATOM 1052 CA LYS A 74 3.500 3.140 -7.035 1.00 0.00 C ATOM 1053 C LYS A 74 3.345 1.848 -6.238 1.00 0.00 C ATOM 1054 O LYS A 74 3.054 0.792 -6.800 1.00 0.00 O ATOM 1055 CB LYS A 74 4.966 3.337 -7.424 1.00 0.00 C ATOM 1056 CG LYS A 74 5.197 4.529 -8.337 1.00 0.00 C ATOM 1057 CD LYS A 74 6.672 4.717 -8.648 1.00 0.00 C ATOM 1058 CE LYS A 74 7.184 3.640 -9.593 1.00 0.00 C ATOM 1059 NZ LYS A 74 8.471 4.029 -10.233 1.00 0.00 N ATOM 0 H LYS A 74 3.759 4.829 -5.821 1.00 0.00 H new ATOM 0 HA LYS A 74 2.897 3.064 -7.940 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.560 3.463 -6.519 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.326 2.435 -7.919 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.644 4.389 -9.266 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.806 5.431 -7.865 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.829 5.699 -9.095 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.246 4.693 -7.722 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.319 2.709 -9.043 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.438 3.449 -10.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.786 3.269 -10.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.337 4.904 -10.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.190 4.186 -9.499 1.00 0.00 H new ATOM 1073 N ALA A 75 3.540 1.940 -4.927 1.00 0.00 N ATOM 1074 CA ALA A 75 3.418 0.780 -4.053 1.00 0.00 C ATOM 1075 C ALA A 75 1.968 0.315 -3.955 1.00 0.00 C ATOM 1076 O ALA A 75 1.692 -0.883 -3.891 1.00 0.00 O ATOM 1077 CB ALA A 75 3.965 1.100 -2.669 1.00 0.00 C ATOM 0 H ALA A 75 3.783 2.806 -4.447 1.00 0.00 H new ATOM 0 HA ALA A 75 4.004 -0.031 -4.485 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.867 0.224 -2.028 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.017 1.376 -2.748 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.404 1.929 -2.239 1.00 0.00 H new ATOM 1083 N LYS A 76 1.045 1.271 -3.944 1.00 0.00 N ATOM 1084 CA LYS A 76 -0.377 0.961 -3.855 1.00 0.00 C ATOM 1085 C LYS A 76 -0.882 0.347 -5.157 1.00 0.00 C ATOM 1086 O LYS A 76 -1.575 -0.671 -5.147 1.00 0.00 O ATOM 1087 CB LYS A 76 -1.176 2.225 -3.531 1.00 0.00 C ATOM 1088 CG LYS A 76 -2.675 1.994 -3.453 1.00 0.00 C ATOM 1089 CD LYS A 76 -3.453 3.238 -3.848 1.00 0.00 C ATOM 1090 CE LYS A 76 -4.867 3.212 -3.289 1.00 0.00 C ATOM 1091 NZ LYS A 76 -5.540 4.533 -3.421 1.00 0.00 N ATOM 0 H LYS A 76 1.257 2.267 -3.996 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.516 0.235 -3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.829 2.630 -2.580 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.972 2.979 -4.292 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.951 1.168 -4.108 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.946 1.701 -2.439 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.933 4.124 -3.484 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.492 3.315 -4.935 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.450 2.454 -3.811 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.837 2.923 -2.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.501 4.474 -3.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.998 5.252 -2.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.592 4.797 -4.426 1.00 0.00 H new ATOM 1105 N LYS A 77 -0.531 0.971 -6.276 1.00 0.00 N ATOM 1106 CA LYS A 77 -0.946 0.485 -7.586 1.00 0.00 C ATOM 1107 C LYS A 77 -0.358 -0.894 -7.867 1.00 0.00 C ATOM 1108 O LYS A 77 -0.908 -1.663 -8.653 1.00 0.00 O ATOM 1109 CB LYS A 77 -0.513 1.467 -8.678 1.00 0.00 C ATOM 1110 CG LYS A 77 0.868 1.181 -9.241 1.00 0.00 C ATOM 1111 CD LYS A 77 1.375 2.335 -10.090 1.00 0.00 C ATOM 1112 CE LYS A 77 0.899 2.220 -11.529 1.00 0.00 C ATOM 1113 NZ LYS A 77 1.725 1.258 -12.311 1.00 0.00 N ATOM 0 H LYS A 77 0.041 1.815 -6.302 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.033 0.404 -7.587 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.240 1.438 -9.490 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.528 2.478 -8.272 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.564 0.997 -8.423 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.836 0.273 -9.843 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.031 3.278 -9.666 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.465 2.354 -10.067 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.143 1.899 -11.542 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.937 3.201 -12.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.369 1.208 -13.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.715 1.577 -12.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.669 0.316 -11.873 1.00 0.00 H new ATOM 1127 N GLN A 78 0.761 -1.198 -7.218 1.00 0.00 N ATOM 1128 CA GLN A 78 1.422 -2.486 -7.398 1.00 0.00 C ATOM 1129 C GLN A 78 0.768 -3.558 -6.532 1.00 0.00 C ATOM 1130 O GLN A 78 0.647 -4.714 -6.943 1.00 0.00 O ATOM 1131 CB GLN A 78 2.908 -2.372 -7.054 1.00 0.00 C ATOM 1132 CG GLN A 78 3.737 -1.714 -8.146 1.00 0.00 C ATOM 1133 CD GLN A 78 5.186 -1.527 -7.744 1.00 0.00 C ATOM 1134 OE1 GLN A 78 5.943 -2.492 -7.634 1.00 0.00 O ATOM 1135 NE2 GLN A 78 5.582 -0.278 -7.523 1.00 0.00 N ATOM 0 H GLN A 78 1.229 -0.571 -6.563 1.00 0.00 H new ATOM 0 HA GLN A 78 1.320 -2.777 -8.444 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.016 -1.800 -6.133 1.00 0.00 H new ATOM 0 HB3 GLN A 78 3.305 -3.368 -6.859 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.690 -2.322 -9.049 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.304 -0.744 -8.392 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.921 0.492 -7.626 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.547 -0.089 -7.251 1.00 0.00 H new ATOM 1144 N LEU A 79 0.348 -3.170 -5.334 1.00 0.00 N ATOM 1145 CA LEU A 79 -0.294 -4.099 -4.410 1.00 0.00 C ATOM 1146 C LEU A 79 -1.650 -4.549 -4.944 1.00 0.00 C ATOM 1147 O LEU A 79 -2.005 -5.724 -4.856 1.00 0.00 O ATOM 1148 CB LEU A 79 -0.465 -3.447 -3.037 1.00 0.00 C ATOM 1149 CG LEU A 79 -0.426 -4.392 -1.836 1.00 0.00 C ATOM 1150 CD1 LEU A 79 0.997 -4.547 -1.323 1.00 0.00 C ATOM 1151 CD2 LEU A 79 -1.342 -3.886 -0.730 1.00 0.00 C ATOM 0 H LEU A 79 0.440 -2.218 -4.979 1.00 0.00 H new ATOM 0 HA LEU A 79 0.346 -4.976 -4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.319 -2.700 -2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.417 -2.916 -3.025 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.782 -5.371 -2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.004 -5.223 -0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.626 -4.955 -2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.382 -3.574 -1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.302 -4.571 0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.016 -2.896 -0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.365 -3.829 -1.102 1.00 0.00 H new ATOM 1163 N LEU A 80 -2.403 -3.606 -5.501 1.00 0.00 N ATOM 1164 CA LEU A 80 -3.720 -3.906 -6.052 1.00 0.00 C ATOM 1165 C LEU A 80 -3.628 -4.988 -7.123 1.00 0.00 C ATOM 1166 O LEU A 80 -4.402 -5.946 -7.120 1.00 0.00 O ATOM 1167 CB LEU A 80 -4.347 -2.641 -6.641 1.00 0.00 C ATOM 1168 CG LEU A 80 -5.183 -1.796 -5.680 1.00 0.00 C ATOM 1169 CD1 LEU A 80 -4.283 -0.946 -4.797 1.00 0.00 C ATOM 1170 CD2 LEU A 80 -6.159 -0.919 -6.450 1.00 0.00 C ATOM 0 H LEU A 80 -2.124 -2.628 -5.583 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.351 -4.274 -5.243 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.548 -2.016 -7.041 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.978 -2.930 -7.482 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.756 -2.468 -5.041 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.895 -0.351 -4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.625 -1.594 -4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.683 -0.283 -5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.745 -0.325 -5.749 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.606 -0.255 -7.114 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.826 -1.548 -7.039 1.00 0.00 H new ATOM 1182 N HIS A 81 -2.676 -4.831 -8.037 1.00 0.00 N ATOM 1183 CA HIS A 81 -2.481 -5.796 -9.112 1.00 0.00 C ATOM 1184 C HIS A 81 -2.171 -7.181 -8.551 1.00 0.00 C ATOM 1185 O HIS A 81 -2.916 -8.135 -8.779 1.00 0.00 O ATOM 1186 CB HIS A 81 -1.349 -5.342 -10.035 1.00 0.00 C ATOM 1187 CG HIS A 81 -1.403 -5.959 -11.399 1.00 0.00 C ATOM 1188 ND1 HIS A 81 -2.568 -6.069 -12.129 1.00 0.00 N ATOM 1189 CD2 HIS A 81 -0.428 -6.500 -12.165 1.00 0.00 C ATOM 1190 CE1 HIS A 81 -2.307 -6.651 -13.285 1.00 0.00 C ATOM 1191 NE2 HIS A 81 -1.014 -6.923 -13.333 1.00 0.00 N ATOM 0 H HIS A 81 -2.027 -4.044 -8.054 1.00 0.00 H new ATOM 0 HA HIS A 81 -3.406 -5.855 -9.685 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.386 -4.257 -10.134 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -0.393 -5.588 -9.572 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.617 -6.584 -11.906 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -3.027 -6.868 -14.060 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.531 -7.373 -14.110 1.00 0.00 H new ATOM 1199 N LEU A 82 -1.069 -7.283 -7.816 1.00 0.00 N ATOM 1200 CA LEU A 82 -0.661 -8.551 -7.222 1.00 0.00 C ATOM 1201 C LEU A 82 -1.808 -9.178 -6.436 1.00 0.00 C ATOM 1202 O LEU A 82 -2.122 -10.356 -6.609 1.00 0.00 O ATOM 1203 CB LEU A 82 0.546 -8.342 -6.306 1.00 0.00 C ATOM 1204 CG LEU A 82 1.760 -7.662 -6.939 1.00 0.00 C ATOM 1205 CD1 LEU A 82 2.657 -7.063 -5.867 1.00 0.00 C ATOM 1206 CD2 LEU A 82 2.537 -8.648 -7.798 1.00 0.00 C ATOM 0 H LEU A 82 -0.442 -6.503 -7.617 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.384 -9.230 -8.029 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.228 -7.748 -5.449 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.858 -9.313 -5.922 1.00 0.00 H new ATOM 0 HG LEU A 82 1.406 -6.854 -7.579 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.516 -6.584 -6.337 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.097 -6.323 -5.295 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.003 -7.852 -5.199 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.397 -8.146 -8.240 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.879 -9.478 -7.180 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.892 -9.028 -8.590 1.00 0.00 H new ATOM 1218 N ALA A 83 -2.432 -8.383 -5.573 1.00 0.00 N ATOM 1219 CA ALA A 83 -3.547 -8.859 -4.764 1.00 0.00 C ATOM 1220 C ALA A 83 -4.483 -9.741 -5.583 1.00 0.00 C ATOM 1221 O ALA A 83 -4.873 -10.822 -5.144 1.00 0.00 O ATOM 1222 CB ALA A 83 -4.310 -7.683 -4.172 1.00 0.00 C ATOM 0 H ALA A 83 -2.184 -7.406 -5.416 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.142 -9.461 -3.951 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.140 -8.054 -3.570 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.641 -7.094 -3.544 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.696 -7.058 -4.977 1.00 0.00 H new ATOM 1228 N GLU A 84 -4.839 -9.272 -6.775 1.00 0.00 N ATOM 1229 CA GLU A 84 -5.730 -10.019 -7.654 1.00 0.00 C ATOM 1230 C GLU A 84 -5.006 -11.208 -8.280 1.00 0.00 C ATOM 1231 O GLU A 84 -5.521 -12.326 -8.288 1.00 0.00 O ATOM 1232 CB GLU A 84 -6.281 -9.108 -8.752 1.00 0.00 C ATOM 1233 CG GLU A 84 -6.924 -7.837 -8.223 1.00 0.00 C ATOM 1234 CD GLU A 84 -7.838 -7.179 -9.238 1.00 0.00 C ATOM 1235 OE1 GLU A 84 -7.398 -6.975 -10.389 1.00 0.00 O ATOM 1236 OE2 GLU A 84 -8.993 -6.866 -8.881 1.00 0.00 O ATOM 0 H GLU A 84 -4.524 -8.379 -7.154 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.559 -10.395 -7.054 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.471 -8.840 -9.430 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.016 -9.661 -9.336 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.494 -8.070 -7.324 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.144 -7.133 -7.932 1.00 0.00 H new ATOM 1243 N GLU A 85 -3.811 -10.956 -8.803 1.00 0.00 N ATOM 1244 CA GLU A 85 -3.017 -12.006 -9.433 1.00 0.00 C ATOM 1245 C GLU A 85 -2.942 -13.240 -8.540 1.00 0.00 C ATOM 1246 O GLU A 85 -3.248 -14.352 -8.971 1.00 0.00 O ATOM 1247 CB GLU A 85 -1.607 -11.496 -9.738 1.00 0.00 C ATOM 1248 CG GLU A 85 -1.575 -10.367 -10.754 1.00 0.00 C ATOM 1249 CD GLU A 85 -0.184 -10.118 -11.306 1.00 0.00 C ATOM 1250 OE1 GLU A 85 0.786 -10.202 -10.524 1.00 0.00 O ATOM 1251 OE2 GLU A 85 -0.066 -9.838 -12.516 1.00 0.00 O ATOM 0 H GLU A 85 -3.371 -10.036 -8.804 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.504 -12.284 -10.367 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.145 -11.153 -8.812 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.002 -12.324 -10.108 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.251 -10.603 -11.576 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.946 -9.454 -10.289 1.00 0.00 H new ATOM 1258 N LYS A 86 -2.531 -13.037 -7.293 1.00 0.00 N ATOM 1259 CA LYS A 86 -2.415 -14.132 -6.337 1.00 0.00 C ATOM 1260 C LYS A 86 -3.666 -15.003 -6.353 1.00 0.00 C ATOM 1261 O LYS A 86 -3.579 -16.227 -6.456 1.00 0.00 O ATOM 1262 CB LYS A 86 -2.181 -13.583 -4.927 1.00 0.00 C ATOM 1263 CG LYS A 86 -0.908 -12.765 -4.797 1.00 0.00 C ATOM 1264 CD LYS A 86 0.329 -13.645 -4.861 1.00 0.00 C ATOM 1265 CE LYS A 86 1.603 -12.828 -4.711 1.00 0.00 C ATOM 1266 NZ LYS A 86 2.110 -12.344 -6.025 1.00 0.00 N ATOM 0 H LYS A 86 -2.272 -12.123 -6.920 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.562 -14.746 -6.628 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.032 -12.964 -4.641 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.142 -14.415 -4.224 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.869 -12.022 -5.594 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.919 -12.220 -3.853 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.283 -14.397 -4.073 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.348 -14.179 -5.811 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.413 -11.976 -4.059 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.369 -13.435 -4.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.979 -11.792 -5.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.316 -13.158 -6.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.390 -11.744 -6.475 1.00 0.00 H new ATOM 1280 N GLN A 87 -4.828 -14.365 -6.252 1.00 0.00 N ATOM 1281 CA GLN A 87 -6.097 -15.084 -6.257 1.00 0.00 C ATOM 1282 C GLN A 87 -6.504 -15.461 -7.678 1.00 0.00 C ATOM 1283 O GLN A 87 -5.955 -14.944 -8.651 1.00 0.00 O ATOM 1284 CB GLN A 87 -7.191 -14.234 -5.608 1.00 0.00 C ATOM 1285 CG GLN A 87 -7.428 -12.907 -6.311 1.00 0.00 C ATOM 1286 CD GLN A 87 -8.699 -12.221 -5.851 1.00 0.00 C ATOM 1287 OE1 GLN A 87 -8.594 -11.429 -4.791 1.00 0.00 O flip ATOM 1288 NE2 GLN A 87 -9.764 -12.401 -6.442 1.00 0.00 N flip ATOM 0 H GLN A 87 -4.917 -13.353 -6.166 1.00 0.00 H new ATOM 0 HA GLN A 87 -5.969 -16.000 -5.681 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -8.122 -14.801 -5.597 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -6.922 -14.042 -4.569 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -6.579 -12.248 -6.131 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.479 -13.074 -7.387 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -9.799 -13.019 -7.253 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -10.611 -11.932 -6.121 1.00 0.00 H new ATOM 1297 N THR A 88 -7.471 -16.366 -7.791 1.00 0.00 N ATOM 1298 CA THR A 88 -7.952 -16.814 -9.092 1.00 0.00 C ATOM 1299 C THR A 88 -6.790 -17.123 -10.030 1.00 0.00 C ATOM 1300 O THR A 88 -6.839 -16.809 -11.219 1.00 0.00 O ATOM 1301 CB THR A 88 -8.861 -15.757 -9.749 1.00 0.00 C ATOM 1302 OG1 THR A 88 -8.108 -14.573 -10.033 1.00 0.00 O ATOM 1303 CG2 THR A 88 -10.033 -15.415 -8.843 1.00 0.00 C ATOM 0 H THR A 88 -7.937 -16.804 -6.996 1.00 0.00 H new ATOM 0 HA THR A 88 -8.529 -17.723 -8.921 1.00 0.00 H new ATOM 0 HB THR A 88 -9.250 -16.170 -10.679 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.158 -14.741 -9.862 1.00 0.00 H new ATOM 0 HG21 THR A 88 -10.661 -14.667 -9.327 1.00 0.00 H new ATOM 0 HG22 THR A 88 -10.620 -16.313 -8.653 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.659 -15.019 -7.899 1.00 0.00 H new ATOM 1311 N LYS A 89 -5.747 -17.740 -9.488 1.00 0.00 N ATOM 1312 CA LYS A 89 -4.573 -18.095 -10.276 1.00 0.00 C ATOM 1313 C LYS A 89 -4.751 -19.459 -10.936 1.00 0.00 C ATOM 1314 O LYS A 89 -4.669 -19.583 -12.158 1.00 0.00 O ATOM 1315 CB LYS A 89 -3.322 -18.104 -9.393 1.00 0.00 C ATOM 1316 CG LYS A 89 -2.095 -18.675 -10.081 1.00 0.00 C ATOM 1317 CD LYS A 89 -1.343 -17.606 -10.856 1.00 0.00 C ATOM 1318 CE LYS A 89 -0.494 -18.214 -11.962 1.00 0.00 C ATOM 1319 NZ LYS A 89 0.464 -17.226 -12.531 1.00 0.00 N ATOM 0 H LYS A 89 -5.690 -18.005 -8.505 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.453 -17.345 -11.058 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -3.107 -17.085 -9.072 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.527 -18.685 -8.494 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -1.434 -19.120 -9.337 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.395 -19.474 -10.759 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -2.053 -16.900 -11.287 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.706 -17.042 -10.175 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.056 -19.069 -11.569 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.143 -18.589 -12.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.024 -17.678 -13.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.062 -16.422 -12.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.100 -16.887 -11.781 1.00 0.00 H new ATOM 1333 N SER A 90 -4.996 -20.478 -10.120 1.00 0.00 N ATOM 1334 CA SER A 90 -5.185 -21.833 -10.624 1.00 0.00 C ATOM 1335 C SER A 90 -6.082 -22.641 -9.691 1.00 0.00 C ATOM 1336 O SER A 90 -6.088 -22.427 -8.479 1.00 0.00 O ATOM 1337 CB SER A 90 -3.834 -22.533 -10.784 1.00 0.00 C ATOM 1338 OG SER A 90 -3.301 -22.906 -9.525 1.00 0.00 O ATOM 0 H SER A 90 -5.068 -20.391 -9.106 1.00 0.00 H new ATOM 0 HA SER A 90 -5.670 -21.767 -11.598 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.951 -23.418 -11.409 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.136 -21.871 -11.296 1.00 0.00 H new ATOM 0 HG SER A 90 -2.438 -23.353 -9.654 1.00 0.00 H new ATOM 1344 N GLY A 91 -6.838 -23.571 -10.265 1.00 0.00 N ATOM 1345 CA GLY A 91 -7.728 -24.397 -9.471 1.00 0.00 C ATOM 1346 C GLY A 91 -8.280 -25.574 -10.253 1.00 0.00 C ATOM 1347 O GLY A 91 -8.516 -25.489 -11.458 1.00 0.00 O ATOM 0 H GLY A 91 -6.850 -23.767 -11.266 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.193 -24.765 -8.596 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.555 -23.788 -9.106 1.00 0.00 H new ATOM 1351 N PRO A 92 -8.491 -26.703 -9.560 1.00 0.00 N ATOM 1352 CA PRO A 92 -9.018 -27.924 -10.178 1.00 0.00 C ATOM 1353 C PRO A 92 -10.481 -27.782 -10.582 1.00 0.00 C ATOM 1354 O PRO A 92 -10.929 -28.395 -11.551 1.00 0.00 O ATOM 1355 CB PRO A 92 -8.867 -28.973 -9.074 1.00 0.00 C ATOM 1356 CG PRO A 92 -8.882 -28.193 -7.805 1.00 0.00 C ATOM 1357 CD PRO A 92 -8.230 -26.876 -8.121 1.00 0.00 C ATOM 0 HA PRO A 92 -8.492 -28.176 -11.099 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -9.681 -29.698 -9.103 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -7.938 -29.532 -9.184 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -9.902 -28.048 -7.448 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.340 -28.718 -7.018 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.659 -26.064 -7.534 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -7.162 -26.895 -7.906 1.00 0.00 H new ATOM 1365 N SER A 93 -11.222 -26.970 -9.834 1.00 0.00 N ATOM 1366 CA SER A 93 -12.636 -26.751 -10.113 1.00 0.00 C ATOM 1367 C SER A 93 -13.116 -25.443 -9.493 1.00 0.00 C ATOM 1368 O SER A 93 -12.413 -24.828 -8.691 1.00 0.00 O ATOM 1369 CB SER A 93 -13.470 -27.918 -9.579 1.00 0.00 C ATOM 1370 OG SER A 93 -14.745 -27.956 -10.195 1.00 0.00 O ATOM 0 H SER A 93 -10.866 -26.453 -9.030 1.00 0.00 H new ATOM 0 HA SER A 93 -12.762 -26.688 -11.194 1.00 0.00 H new ATOM 0 HB2 SER A 93 -12.946 -28.857 -9.761 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.587 -27.822 -8.500 1.00 0.00 H new ATOM 0 HG SER A 93 -15.258 -28.711 -9.839 1.00 0.00 H new ATOM 1376 N SER A 94 -14.319 -25.022 -9.870 1.00 0.00 N ATOM 1377 CA SER A 94 -14.893 -23.785 -9.355 1.00 0.00 C ATOM 1378 C SER A 94 -15.176 -23.898 -7.861 1.00 0.00 C ATOM 1379 O SER A 94 -15.566 -24.957 -7.370 1.00 0.00 O ATOM 1380 CB SER A 94 -16.182 -23.444 -10.105 1.00 0.00 C ATOM 1381 OG SER A 94 -16.687 -22.182 -9.705 1.00 0.00 O ATOM 0 H SER A 94 -14.915 -25.520 -10.531 1.00 0.00 H new ATOM 0 HA SER A 94 -14.168 -22.986 -9.511 1.00 0.00 H new ATOM 0 HB2 SER A 94 -15.991 -23.439 -11.178 1.00 0.00 H new ATOM 0 HB3 SER A 94 -16.930 -24.214 -9.918 1.00 0.00 H new ATOM 0 HG SER A 94 -17.510 -21.987 -10.200 1.00 0.00 H new ATOM 1387 N GLY A 95 -14.976 -22.799 -7.141 1.00 0.00 N ATOM 1388 CA GLY A 95 -15.215 -22.795 -5.709 1.00 0.00 C ATOM 1389 C GLY A 95 -14.771 -21.503 -5.051 1.00 0.00 C ATOM 1390 O GLY A 95 -14.437 -21.486 -3.867 1.00 0.00 O ATOM 0 H GLY A 95 -14.653 -21.911 -7.524 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -16.278 -22.949 -5.521 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -14.686 -23.632 -5.253 1.00 0.00 H new TER 1394 GLY A 95