USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 706 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 59 LYS NZ :NH3+ 158:sc= 0.665 (180deg=0.581) USER MOD Set 1.2: A 63 TYR OH : rot 23:sc= 0.0572 USER MOD Single : A 3 THR OG1 : rot 27:sc= 0.035 USER MOD Single : A 4 SER OG : rot 180:sc=-0.00544 USER MOD Single : A 5 THR OG1 : rot 77:sc= 0.406 USER MOD Single : A 7 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.23) USER MOD Single : A 8 LYS NZ :NH3+ -162:sc= -0.0426 (180deg=-0.59) USER MOD Single : A 14 THR OG1 : rot 81:sc= 0.728 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -9:sc= -0.393 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -143:sc= 0.418 (180deg=-0.06) USER MOD Single : A 24 ASN : amide:sc= -0.446 X(o=-0.45,f=-0.59) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= -1.48 USER MOD Single : A 33 GLN : amide:sc= -0.881 X(o=-0.88,f=-1.3!) USER MOD Single : A 34 HIS : no HE2:sc= 0.359 K(o=0.36,f=-1.2) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HD1:sc= -15.5! C(o=-16!,f=-16!) USER MOD Single : A 44 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.141) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -2.92! C(o=-2.9!,f=-2.7!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -167:sc= -2.18 (180deg=-3.15) USER MOD Single : A 55 SER OG : rot 180:sc= -0.296 USER MOD Single : A 60 CYS SG : rot 69:sc= -3.02 USER MOD Single : A 62 GLN : amide:sc= -1.03 X(o=-1,f=-0.69) USER MOD Single : A 69 LYS NZ :NH3+ -120:sc= -1.27 (180deg=-3.2!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 2:sc= -2.64! USER MOD Single : B 175 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 3 16.055 -11.900 -0.446 1.00 1.00 N ATOM 2 CA THR A 3 15.712 -10.700 -1.212 1.00 1.00 C ATOM 3 C THR A 3 15.750 -9.470 -0.318 1.00 1.00 C ATOM 4 O THR A 3 15.289 -9.503 0.823 1.00 1.00 O ATOM 5 CB THR A 3 14.315 -10.850 -1.820 1.00 1.00 C ATOM 6 OG1 THR A 3 14.330 -11.900 -2.780 1.00 1.00 O ATOM 7 CG2 THR A 3 13.908 -9.548 -2.501 1.00 1.00 C ATOM 0 HA THR A 3 16.443 -10.578 -2.011 1.00 1.00 H new ATOM 0 HB THR A 3 13.600 -11.083 -1.031 1.00 1.00 H new ATOM 0 HG1 THR A 3 15.035 -12.541 -2.552 1.00 1.00 H new ATOM 0 HG21 THR A 3 12.913 -9.659 -2.933 1.00 1.00 H new ATOM 0 HG22 THR A 3 13.898 -8.742 -1.768 1.00 1.00 H new ATOM 0 HG23 THR A 3 14.622 -9.312 -3.290 1.00 1.00 H new ATOM 15 N SER A 4 16.297 -8.382 -0.848 1.00 1.00 N ATOM 16 CA SER A 4 16.385 -7.137 -0.092 1.00 1.00 C ATOM 17 C SER A 4 15.002 -6.704 0.382 1.00 1.00 C ATOM 18 O SER A 4 13.994 -6.973 -0.273 1.00 1.00 O ATOM 19 CB SER A 4 16.991 -6.038 -0.965 1.00 1.00 C ATOM 20 OG SER A 4 16.776 -4.777 -0.350 1.00 1.00 O ATOM 0 H SER A 4 16.684 -8.336 -1.791 1.00 1.00 H new ATOM 0 HA SER A 4 17.022 -7.304 0.776 1.00 1.00 H new ATOM 0 HB2 SER A 4 18.059 -6.212 -1.100 1.00 1.00 H new ATOM 0 HB3 SER A 4 16.538 -6.054 -1.956 1.00 1.00 H new ATOM 0 HG SER A 4 17.165 -4.071 -0.907 1.00 1.00 H new ATOM 26 N THR A 5 14.962 -6.039 1.531 1.00 1.00 N ATOM 27 CA THR A 5 13.697 -5.581 2.094 1.00 1.00 C ATOM 28 C THR A 5 13.017 -4.614 1.135 1.00 1.00 C ATOM 29 O THR A 5 11.799 -4.660 0.956 1.00 1.00 O ATOM 30 CB THR A 5 13.938 -4.883 3.434 1.00 1.00 C ATOM 31 OG1 THR A 5 14.843 -5.658 4.211 1.00 1.00 O ATOM 32 CG2 THR A 5 12.616 -4.748 4.189 1.00 1.00 C ATOM 0 H THR A 5 15.784 -5.806 2.088 1.00 1.00 H new ATOM 0 HA THR A 5 13.053 -6.447 2.250 1.00 1.00 H new ATOM 0 HB THR A 5 14.357 -3.893 3.256 1.00 1.00 H new ATOM 0 HG1 THR A 5 15.756 -5.524 3.880 1.00 1.00 H new ATOM 0 HG21 THR A 5 12.791 -4.251 5.143 1.00 1.00 H new ATOM 0 HG22 THR A 5 11.917 -4.159 3.596 1.00 1.00 H new ATOM 0 HG23 THR A 5 12.196 -5.738 4.368 1.00 1.00 H new ATOM 40 N LEU A 6 13.805 -3.733 0.521 1.00 1.00 N ATOM 41 CA LEU A 6 13.255 -2.764 -0.403 1.00 1.00 C ATOM 42 C LEU A 6 12.672 -3.460 -1.635 1.00 1.00 C ATOM 43 O LEU A 6 11.573 -3.137 -2.087 1.00 1.00 O ATOM 44 CB LEU A 6 14.363 -1.784 -0.842 1.00 1.00 C ATOM 45 CG LEU A 6 13.750 -0.406 -1.134 1.00 1.00 C ATOM 46 CD1 LEU A 6 12.591 -0.553 -2.130 1.00 1.00 C ATOM 47 CD2 LEU A 6 13.230 0.221 0.180 1.00 1.00 C ATOM 0 H LEU A 6 14.815 -3.676 0.650 1.00 1.00 H new ATOM 0 HA LEU A 6 12.456 -2.219 0.100 1.00 1.00 H new ATOM 0 HB2 LEU A 6 15.117 -1.699 -0.060 1.00 1.00 H new ATOM 0 HB3 LEU A 6 14.867 -2.164 -1.731 1.00 1.00 H new ATOM 0 HG LEU A 6 14.513 0.242 -1.565 1.00 1.00 H new ATOM 0 HD11 LEU A 6 12.160 0.427 -2.334 1.00 1.00 H new ATOM 0 HD12 LEU A 6 12.962 -0.986 -3.059 1.00 1.00 H new ATOM 0 HD13 LEU A 6 11.827 -1.204 -1.706 1.00 1.00 H new ATOM 0 HD21 LEU A 6 12.796 1.198 -0.030 1.00 1.00 H new ATOM 0 HD22 LEU A 6 12.470 -0.427 0.617 1.00 1.00 H new ATOM 0 HD23 LEU A 6 14.057 0.335 0.881 1.00 1.00 H new ATOM 59 N GLN A 7 13.424 -4.408 -2.175 1.00 1.00 N ATOM 60 CA GLN A 7 12.981 -5.127 -3.359 1.00 1.00 C ATOM 61 C GLN A 7 11.652 -5.824 -3.090 1.00 1.00 C ATOM 62 O GLN A 7 10.743 -5.792 -3.921 1.00 1.00 O ATOM 63 CB GLN A 7 14.035 -6.159 -3.771 1.00 1.00 C ATOM 64 CG GLN A 7 13.587 -6.879 -5.048 1.00 1.00 C ATOM 65 CD GLN A 7 13.444 -5.879 -6.190 1.00 1.00 C ATOM 66 OE1 GLN A 7 14.437 -5.311 -6.648 1.00 1.00 O ATOM 67 NE2 GLN A 7 12.256 -5.611 -6.663 1.00 1.00 N ATOM 0 H GLN A 7 14.335 -4.695 -1.816 1.00 1.00 H new ATOM 0 HA GLN A 7 12.845 -4.412 -4.170 1.00 1.00 H new ATOM 0 HB2 GLN A 7 14.993 -5.667 -3.937 1.00 1.00 H new ATOM 0 HB3 GLN A 7 14.183 -6.881 -2.968 1.00 1.00 H new ATOM 0 HG2 GLN A 7 14.313 -7.647 -5.315 1.00 1.00 H new ATOM 0 HG3 GLN A 7 12.637 -7.384 -4.876 1.00 1.00 H new ATOM 0 HE21 GLN A 7 11.437 -6.083 -6.281 1.00 1.00 H new ATOM 0 HE22 GLN A 7 12.148 -4.929 -7.414 1.00 1.00 H new ATOM 76 N LYS A 8 11.544 -6.448 -1.925 1.00 1.00 N ATOM 77 CA LYS A 8 10.314 -7.136 -1.559 1.00 1.00 C ATOM 78 C LYS A 8 9.164 -6.147 -1.428 1.00 1.00 C ATOM 79 O LYS A 8 8.058 -6.406 -1.902 1.00 1.00 O ATOM 80 CB LYS A 8 10.517 -7.891 -0.229 1.00 1.00 C ATOM 81 CG LYS A 8 10.750 -9.384 -0.495 1.00 1.00 C ATOM 82 CD LYS A 8 9.399 -10.070 -0.742 1.00 1.00 C ATOM 83 CE LYS A 8 9.609 -11.570 -0.846 1.00 1.00 C ATOM 84 NZ LYS A 8 10.600 -11.860 -1.921 1.00 1.00 N ATOM 0 H LYS A 8 12.284 -6.492 -1.224 1.00 1.00 H new ATOM 0 HA LYS A 8 10.065 -7.849 -2.345 1.00 1.00 H new ATOM 0 HB2 LYS A 8 11.368 -7.473 0.308 1.00 1.00 H new ATOM 0 HB3 LYS A 8 9.643 -7.760 0.409 1.00 1.00 H new ATOM 0 HG2 LYS A 8 11.401 -9.514 -1.360 1.00 1.00 H new ATOM 0 HG3 LYS A 8 11.254 -9.843 0.356 1.00 1.00 H new ATOM 0 HD2 LYS A 8 8.709 -9.843 0.071 1.00 1.00 H new ATOM 0 HD3 LYS A 8 8.947 -9.690 -1.658 1.00 1.00 H new ATOM 0 HE2 LYS A 8 9.963 -11.965 0.106 1.00 1.00 H new ATOM 0 HE3 LYS A 8 8.663 -12.066 -1.065 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 10.523 -12.858 -2.204 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 10.409 -11.252 -2.743 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 11.560 -11.673 -1.568 1.00 1.00 H new ATOM 98 N ALA A 9 9.429 -5.025 -0.776 1.00 1.00 N ATOM 99 CA ALA A 9 8.402 -4.011 -0.582 1.00 1.00 C ATOM 100 C ALA A 9 7.826 -3.577 -1.930 1.00 1.00 C ATOM 101 O ALA A 9 6.608 -3.486 -2.098 1.00 1.00 O ATOM 102 CB ALA A 9 9.006 -2.800 0.143 1.00 1.00 C ATOM 0 H ALA A 9 10.338 -4.794 -0.375 1.00 1.00 H new ATOM 0 HA ALA A 9 7.598 -4.430 0.023 1.00 1.00 H new ATOM 0 HB1 ALA A 9 8.237 -2.042 0.288 1.00 1.00 H new ATOM 0 HB2 ALA A 9 9.394 -3.113 1.112 1.00 1.00 H new ATOM 0 HB3 ALA A 9 9.817 -2.385 -0.456 1.00 1.00 H new ATOM 108 N ILE A 10 8.710 -3.313 -2.885 1.00 1.00 N ATOM 109 CA ILE A 10 8.286 -2.895 -4.216 1.00 1.00 C ATOM 110 C ILE A 10 7.493 -4.022 -4.885 1.00 1.00 C ATOM 111 O ILE A 10 6.491 -3.802 -5.545 1.00 1.00 O ATOM 112 CB ILE A 10 9.501 -2.540 -5.071 1.00 1.00 C ATOM 113 CG1 ILE A 10 10.181 -1.295 -4.495 1.00 1.00 C ATOM 114 CG2 ILE A 10 9.047 -2.251 -6.504 1.00 1.00 C ATOM 115 CD1 ILE A 10 11.528 -1.082 -5.189 1.00 1.00 C ATOM 0 H ILE A 10 9.721 -3.380 -2.764 1.00 1.00 H new ATOM 0 HA ILE A 10 7.652 -2.014 -4.123 1.00 1.00 H new ATOM 0 HB ILE A 10 10.203 -3.374 -5.071 1.00 1.00 H new ATOM 0 HG12 ILE A 10 9.545 -0.422 -4.637 1.00 1.00 H new ATOM 0 HG13 ILE A 10 10.328 -1.412 -3.421 1.00 1.00 H new ATOM 0 HG21 ILE A 10 9.913 -1.997 -7.116 1.00 1.00 H new ATOM 0 HG22 ILE A 10 8.558 -3.134 -6.916 1.00 1.00 H new ATOM 0 HG23 ILE A 10 8.347 -1.416 -6.502 1.00 1.00 H new ATOM 0 HD11 ILE A 10 12.012 -0.196 -4.779 1.00 1.00 H new ATOM 0 HD12 ILE A 10 12.164 -1.952 -5.024 1.00 1.00 H new ATOM 0 HD13 ILE A 10 11.369 -0.946 -6.259 1.00 1.00 H new ATOM 127 N ASP A 11 7.972 -5.241 -4.744 1.00 1.00 N ATOM 128 CA ASP A 11 7.294 -6.380 -5.353 1.00 1.00 C ATOM 129 C ASP A 11 5.854 -6.484 -4.849 1.00 1.00 C ATOM 130 O ASP A 11 4.922 -6.666 -5.638 1.00 1.00 O ATOM 131 CB ASP A 11 8.045 -7.667 -5.009 1.00 1.00 C ATOM 132 CG ASP A 11 7.615 -8.795 -5.943 1.00 1.00 C ATOM 133 OD1 ASP A 11 7.453 -8.532 -7.120 1.00 1.00 O ATOM 134 OD2 ASP A 11 7.452 -9.908 -5.464 1.00 1.00 O ATOM 0 H ASP A 11 8.817 -5.473 -4.221 1.00 1.00 H new ATOM 0 HA ASP A 11 7.278 -6.237 -6.433 1.00 1.00 H new ATOM 0 HB2 ASP A 11 9.119 -7.504 -5.095 1.00 1.00 H new ATOM 0 HB3 ASP A 11 7.847 -7.947 -3.974 1.00 1.00 H new ATOM 139 N LEU A 12 5.687 -6.394 -3.533 1.00 1.00 N ATOM 140 CA LEU A 12 4.359 -6.514 -2.939 1.00 1.00 C ATOM 141 C LEU A 12 3.444 -5.387 -3.396 1.00 1.00 C ATOM 142 O LEU A 12 2.283 -5.624 -3.739 1.00 1.00 O ATOM 143 CB LEU A 12 4.474 -6.470 -1.412 1.00 1.00 C ATOM 144 CG LEU A 12 5.329 -7.645 -0.920 1.00 1.00 C ATOM 145 CD1 LEU A 12 5.817 -7.366 0.506 1.00 1.00 C ATOM 146 CD2 LEU A 12 4.508 -8.938 -0.933 1.00 1.00 C ATOM 0 H LEU A 12 6.443 -6.241 -2.865 1.00 1.00 H new ATOM 0 HA LEU A 12 3.931 -7.463 -3.262 1.00 1.00 H new ATOM 0 HB2 LEU A 12 4.922 -5.527 -1.099 1.00 1.00 H new ATOM 0 HB3 LEU A 12 3.482 -6.517 -0.962 1.00 1.00 H new ATOM 0 HG LEU A 12 6.185 -7.760 -1.584 1.00 1.00 H new ATOM 0 HD11 LEU A 12 6.424 -8.202 0.853 1.00 1.00 H new ATOM 0 HD12 LEU A 12 6.416 -6.455 0.514 1.00 1.00 H new ATOM 0 HD13 LEU A 12 4.959 -7.242 1.167 1.00 1.00 H new ATOM 0 HD21 LEU A 12 5.126 -9.765 -0.582 1.00 1.00 H new ATOM 0 HD22 LEU A 12 3.644 -8.827 -0.278 1.00 1.00 H new ATOM 0 HD23 LEU A 12 4.170 -9.144 -1.948 1.00 1.00 H new ATOM 158 N VAL A 13 3.969 -4.170 -3.404 1.00 1.00 N ATOM 159 CA VAL A 13 3.180 -3.016 -3.816 1.00 1.00 C ATOM 160 C VAL A 13 2.840 -3.095 -5.304 1.00 1.00 C ATOM 161 O VAL A 13 1.738 -2.737 -5.719 1.00 1.00 O ATOM 162 CB VAL A 13 3.943 -1.718 -3.511 1.00 1.00 C ATOM 163 CG1 VAL A 13 4.952 -1.432 -4.617 1.00 1.00 C ATOM 164 CG2 VAL A 13 2.959 -0.556 -3.412 1.00 1.00 C ATOM 0 H VAL A 13 4.929 -3.956 -3.133 1.00 1.00 H new ATOM 0 HA VAL A 13 2.247 -3.018 -3.253 1.00 1.00 H new ATOM 0 HB VAL A 13 4.471 -1.833 -2.564 1.00 1.00 H new ATOM 0 HG11 VAL A 13 5.488 -0.510 -4.391 1.00 1.00 H new ATOM 0 HG12 VAL A 13 5.662 -2.257 -4.684 1.00 1.00 H new ATOM 0 HG13 VAL A 13 4.429 -1.325 -5.567 1.00 1.00 H new ATOM 0 HG21 VAL A 13 3.503 0.364 -3.196 1.00 1.00 H new ATOM 0 HG22 VAL A 13 2.426 -0.449 -4.357 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.244 -0.752 -2.613 1.00 1.00 H new ATOM 174 N THR A 14 3.805 -3.547 -6.102 1.00 1.00 N ATOM 175 CA THR A 14 3.595 -3.650 -7.542 1.00 1.00 C ATOM 176 C THR A 14 2.376 -4.534 -7.816 1.00 1.00 C ATOM 177 O THR A 14 1.450 -4.149 -8.540 1.00 1.00 O ATOM 178 CB THR A 14 4.843 -4.259 -8.200 1.00 1.00 C ATOM 179 OG1 THR A 14 5.877 -3.283 -8.250 1.00 1.00 O ATOM 180 CG2 THR A 14 4.505 -4.720 -9.619 1.00 1.00 C ATOM 0 H THR A 14 4.727 -3.844 -5.781 1.00 1.00 H new ATOM 0 HA THR A 14 3.420 -2.658 -7.959 1.00 1.00 H new ATOM 0 HB THR A 14 5.179 -5.115 -7.614 1.00 1.00 H new ATOM 0 HG1 THR A 14 6.326 -3.238 -7.380 1.00 1.00 H new ATOM 0 HG21 THR A 14 5.392 -5.151 -10.083 1.00 1.00 H new ATOM 0 HG22 THR A 14 3.715 -5.470 -9.579 1.00 1.00 H new ATOM 0 HG23 THR A 14 4.166 -3.867 -10.208 1.00 1.00 H new ATOM 188 N LYS A 15 2.372 -5.718 -7.216 1.00 1.00 N ATOM 189 CA LYS A 15 1.250 -6.629 -7.392 1.00 1.00 C ATOM 190 C LYS A 15 -0.017 -5.989 -6.831 1.00 1.00 C ATOM 191 O LYS A 15 -1.085 -6.078 -7.418 1.00 1.00 O ATOM 192 CB LYS A 15 1.532 -7.944 -6.678 1.00 1.00 C ATOM 193 CG LYS A 15 0.430 -8.968 -7.009 1.00 1.00 C ATOM 194 CD LYS A 15 0.972 -10.380 -6.806 1.00 1.00 C ATOM 195 CE LYS A 15 1.605 -10.500 -5.418 1.00 1.00 C ATOM 196 NZ LYS A 15 1.793 -11.930 -5.081 1.00 1.00 N ATOM 0 H LYS A 15 3.119 -6.065 -6.614 1.00 1.00 H new ATOM 0 HA LYS A 15 1.111 -6.830 -8.454 1.00 1.00 H new ATOM 0 HB2 LYS A 15 2.504 -8.332 -6.983 1.00 1.00 H new ATOM 0 HB3 LYS A 15 1.577 -7.781 -5.601 1.00 1.00 H new ATOM 0 HG2 LYS A 15 -0.438 -8.804 -6.370 1.00 1.00 H new ATOM 0 HG3 LYS A 15 0.096 -8.839 -8.039 1.00 1.00 H new ATOM 0 HD2 LYS A 15 0.167 -11.107 -6.912 1.00 1.00 H new ATOM 0 HD3 LYS A 15 1.711 -10.609 -7.574 1.00 1.00 H new ATOM 0 HE2 LYS A 15 2.564 -9.982 -5.398 1.00 1.00 H new ATOM 0 HE3 LYS A 15 0.968 -10.021 -4.674 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 2.223 -12.011 -4.138 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 0.871 -12.411 -5.083 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 2.417 -12.373 -5.785 1.00 1.00 H new ATOM 210 N ALA A 16 0.108 -5.336 -5.688 1.00 1.00 N ATOM 211 CA ALA A 16 -1.042 -4.683 -5.069 1.00 1.00 C ATOM 212 C ALA A 16 -1.739 -3.769 -6.073 1.00 1.00 C ATOM 213 O ALA A 16 -2.967 -3.743 -6.152 1.00 1.00 O ATOM 214 CB ALA A 16 -0.573 -3.850 -3.868 1.00 1.00 C ATOM 0 H ALA A 16 0.982 -5.242 -5.171 1.00 1.00 H new ATOM 0 HA ALA A 16 -1.744 -5.449 -4.739 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -1.431 -3.362 -3.406 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -0.090 -4.502 -3.140 1.00 1.00 H new ATOM 0 HB3 ALA A 16 0.136 -3.094 -4.204 1.00 1.00 H new ATOM 220 N THR A 17 -0.948 -3.014 -6.827 1.00 1.00 N ATOM 221 CA THR A 17 -1.506 -2.095 -7.809 1.00 1.00 C ATOM 222 C THR A 17 -2.220 -2.857 -8.915 1.00 1.00 C ATOM 223 O THR A 17 -3.280 -2.436 -9.388 1.00 1.00 O ATOM 224 CB THR A 17 -0.388 -1.230 -8.410 1.00 1.00 C ATOM 225 OG1 THR A 17 0.645 -2.074 -8.899 1.00 1.00 O ATOM 226 CG2 THR A 17 0.181 -0.292 -7.342 1.00 1.00 C ATOM 0 H THR A 17 0.071 -3.020 -6.778 1.00 1.00 H new ATOM 0 HA THR A 17 -2.230 -1.453 -7.308 1.00 1.00 H new ATOM 0 HB THR A 17 -0.795 -0.633 -9.226 1.00 1.00 H new ATOM 0 HG1 THR A 17 0.478 -2.996 -8.611 1.00 1.00 H new ATOM 0 HG21 THR A 17 0.973 0.317 -7.777 1.00 1.00 H new ATOM 0 HG22 THR A 17 -0.611 0.356 -6.968 1.00 1.00 H new ATOM 0 HG23 THR A 17 0.587 -0.881 -6.519 1.00 1.00 H new ATOM 234 N GLU A 18 -1.646 -3.980 -9.317 1.00 1.00 N ATOM 235 CA GLU A 18 -2.260 -4.793 -10.360 1.00 1.00 C ATOM 236 C GLU A 18 -3.595 -5.367 -9.870 1.00 1.00 C ATOM 237 O GLU A 18 -4.555 -5.502 -10.630 1.00 1.00 O ATOM 238 CB GLU A 18 -1.293 -5.923 -10.780 1.00 1.00 C ATOM 239 CG GLU A 18 -1.737 -7.263 -10.180 1.00 1.00 C ATOM 240 CD GLU A 18 -0.739 -8.346 -10.500 1.00 1.00 C ATOM 241 OE1 GLU A 18 0.444 -8.080 -10.400 1.00 1.00 O ATOM 242 OE2 GLU A 18 -1.174 -9.432 -10.840 1.00 1.00 O ATOM 0 H GLU A 18 -0.770 -4.347 -8.945 1.00 1.00 H new ATOM 0 HA GLU A 18 -2.461 -4.168 -11.230 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -1.262 -5.997 -11.867 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -0.282 -5.686 -10.448 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -1.842 -7.166 -9.099 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -2.716 -7.536 -10.573 1.00 1.00 H new ATOM 249 N GLU A 19 -3.633 -5.738 -8.591 1.00 1.00 N ATOM 250 CA GLU A 19 -4.836 -6.304 -8.011 1.00 1.00 C ATOM 251 C GLU A 19 -5.903 -5.228 -7.900 1.00 1.00 C ATOM 252 O GLU A 19 -7.074 -5.469 -8.181 1.00 1.00 O ATOM 253 CB GLU A 19 -4.528 -6.883 -6.626 1.00 1.00 C ATOM 254 CG GLU A 19 -3.723 -8.181 -6.765 1.00 1.00 C ATOM 255 CD GLU A 19 -4.564 -9.248 -7.462 1.00 1.00 C ATOM 256 OE1 GLU A 19 -5.778 -9.123 -7.440 1.00 1.00 O ATOM 257 OE2 GLU A 19 -3.983 -10.160 -8.017 1.00 1.00 O ATOM 0 H GLU A 19 -2.847 -5.655 -7.946 1.00 1.00 H new ATOM 0 HA GLU A 19 -5.201 -7.106 -8.653 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -3.966 -6.158 -6.037 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -5.457 -7.078 -6.090 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -2.813 -7.994 -7.335 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -3.416 -8.535 -5.781 1.00 1.00 H new ATOM 264 N ASP A 20 -5.486 -4.031 -7.510 1.00 1.00 N ATOM 265 CA ASP A 20 -6.420 -2.915 -7.384 1.00 1.00 C ATOM 266 C ASP A 20 -7.094 -2.638 -8.727 1.00 1.00 C ATOM 267 O ASP A 20 -8.300 -2.400 -8.789 1.00 1.00 O ATOM 268 CB ASP A 20 -5.676 -1.663 -6.914 1.00 1.00 C ATOM 269 CG ASP A 20 -6.673 -0.617 -6.427 1.00 1.00 C ATOM 270 OD1 ASP A 20 -7.540 -0.973 -5.645 1.00 1.00 O ATOM 271 OD2 ASP A 20 -6.558 0.524 -6.845 1.00 1.00 O ATOM 0 H ASP A 20 -4.519 -3.807 -7.277 1.00 1.00 H new ATOM 0 HA ASP A 20 -7.183 -3.177 -6.651 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -4.985 -1.920 -6.111 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -5.079 -1.256 -7.730 1.00 1.00 H new ATOM 276 N LYS A 21 -6.312 -2.697 -9.801 1.00 1.00 N ATOM 277 CA LYS A 21 -6.854 -2.480 -11.140 1.00 1.00 C ATOM 278 C LYS A 21 -7.820 -3.601 -11.500 1.00 1.00 C ATOM 279 O LYS A 21 -8.860 -3.366 -12.120 1.00 1.00 O ATOM 280 CB LYS A 21 -5.726 -2.426 -12.160 1.00 1.00 C ATOM 281 CG LYS A 21 -4.869 -1.183 -11.910 1.00 1.00 C ATOM 282 CD LYS A 21 -3.686 -1.159 -12.900 1.00 1.00 C ATOM 283 CE LYS A 21 -2.376 -0.946 -12.140 1.00 1.00 C ATOM 284 NZ LYS A 21 -1.280 -0.685 -13.110 1.00 1.00 N ATOM 0 H LYS A 21 -5.311 -2.891 -9.773 1.00 1.00 H new ATOM 0 HA LYS A 21 -7.389 -1.530 -11.151 1.00 1.00 H new ATOM 0 HB2 LYS A 21 -5.113 -3.324 -12.087 1.00 1.00 H new ATOM 0 HB3 LYS A 21 -6.136 -2.401 -13.170 1.00 1.00 H new ATOM 0 HG2 LYS A 21 -5.473 -0.283 -12.028 1.00 1.00 H new ATOM 0 HG3 LYS A 21 -4.498 -1.185 -10.885 1.00 1.00 H new ATOM 0 HD2 LYS A 21 -3.646 -2.096 -13.455 1.00 1.00 H new ATOM 0 HD3 LYS A 21 -3.827 -0.362 -13.630 1.00 1.00 H new ATOM 0 HE2 LYS A 21 -2.475 -0.107 -11.451 1.00 1.00 H new ATOM 0 HE3 LYS A 21 -2.144 -1.826 -11.540 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 -0.388 -0.540 -12.595 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 -1.182 -1.499 -13.750 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 -1.502 0.166 -13.664 1.00 1.00 H new ATOM 298 N ALA A 22 -7.469 -4.827 -11.100 1.00 1.00 N ATOM 299 CA ALA A 22 -8.318 -5.979 -11.380 1.00 1.00 C ATOM 300 C ALA A 22 -9.543 -5.971 -10.480 1.00 1.00 C ATOM 301 O ALA A 22 -10.290 -6.945 -10.430 1.00 1.00 O ATOM 302 CB ALA A 22 -7.536 -7.273 -11.170 1.00 1.00 C ATOM 0 H ALA A 22 -6.613 -5.042 -10.588 1.00 1.00 H new ATOM 0 HA ALA A 22 -8.643 -5.920 -12.419 1.00 1.00 H new ATOM 0 HB1 ALA A 22 -8.180 -8.126 -11.382 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -6.677 -7.292 -11.840 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -7.192 -7.326 -10.137 1.00 1.00 H new ATOM 308 N LYS A 23 -9.737 -4.864 -9.774 1.00 1.00 N ATOM 309 CA LYS A 23 -10.870 -4.728 -8.873 1.00 1.00 C ATOM 310 C LYS A 23 -10.740 -5.682 -7.695 1.00 1.00 C ATOM 311 O LYS A 23 -11.740 -6.094 -7.108 1.00 1.00 O ATOM 312 CB LYS A 23 -12.180 -5.017 -9.627 1.00 1.00 C ATOM 313 CG LYS A 23 -12.190 -4.238 -10.940 1.00 1.00 C ATOM 314 CD LYS A 23 -12.040 -2.742 -10.660 1.00 1.00 C ATOM 315 CE LYS A 23 -12.480 -1.942 -11.880 1.00 1.00 C ATOM 316 NZ LYS A 23 -11.590 -2.257 -13.030 1.00 1.00 N ATOM 0 H LYS A 23 -9.124 -4.049 -9.809 1.00 1.00 H new ATOM 0 HA LYS A 23 -10.885 -3.706 -8.496 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -12.271 -6.085 -9.824 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -13.036 -4.731 -9.015 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -11.378 -4.580 -11.582 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -13.120 -4.425 -11.476 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -12.641 -2.463 -9.794 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -11.003 -2.510 -10.416 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -13.514 -2.181 -12.131 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -12.444 -0.875 -11.660 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -11.428 -1.396 -13.590 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -10.680 -2.616 -12.677 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -12.038 -2.980 -13.628 1.00 1.00 H new ATOM 330 N ASN A 24 -9.511 -6.021 -7.342 1.00 1.00 N ATOM 331 CA ASN A 24 -9.266 -6.918 -6.214 1.00 1.00 C ATOM 332 C ASN A 24 -8.872 -6.106 -4.979 1.00 1.00 C ATOM 333 O ASN A 24 -7.741 -6.161 -4.517 1.00 1.00 O ATOM 334 CB ASN A 24 -8.148 -7.916 -6.580 1.00 1.00 C ATOM 335 CG ASN A 24 -8.733 -9.285 -6.882 1.00 1.00 C ATOM 336 OD1 ASN A 24 -9.842 -9.383 -7.398 1.00 1.00 O ATOM 337 ND2 ASN A 24 -8.055 -10.350 -6.563 1.00 1.00 N ATOM 0 H ASN A 24 -8.669 -5.693 -7.814 1.00 1.00 H new ATOM 0 HA ASN A 24 -10.176 -7.474 -5.989 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -7.596 -7.551 -7.446 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -7.437 -7.992 -5.758 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -8.445 -11.275 -6.742 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -7.134 -10.259 -6.134 1.00 1.00 H new ATOM 344 N TYR A 25 -9.818 -5.354 -4.449 1.00 1.00 N ATOM 345 CA TYR A 25 -9.550 -4.536 -3.274 1.00 1.00 C ATOM 346 C TYR A 25 -9.040 -5.393 -2.122 1.00 1.00 C ATOM 347 O TYR A 25 -8.105 -5.007 -1.427 1.00 1.00 O ATOM 348 CB TYR A 25 -10.820 -3.822 -2.843 1.00 1.00 C ATOM 349 CG TYR A 25 -11.560 -3.325 -4.064 1.00 1.00 C ATOM 350 CD1 TYR A 25 -10.880 -2.628 -5.066 1.00 1.00 C ATOM 351 CD2 TYR A 25 -12.940 -3.562 -4.193 1.00 1.00 C ATOM 352 CE1 TYR A 25 -11.560 -2.168 -6.192 1.00 1.00 C ATOM 353 CE2 TYR A 25 -13.630 -3.100 -5.326 1.00 1.00 C ATOM 354 CZ TYR A 25 -12.940 -2.403 -6.325 1.00 1.00 C ATOM 355 OH TYR A 25 -13.610 -1.946 -7.440 1.00 1.00 O ATOM 0 H TYR A 25 -10.771 -5.290 -4.807 1.00 1.00 H new ATOM 0 HA TYR A 25 -8.784 -3.805 -3.534 1.00 1.00 H new ATOM 0 HB2 TYR A 25 -11.454 -4.500 -2.271 1.00 1.00 H new ATOM 0 HB3 TYR A 25 -10.575 -2.986 -2.188 1.00 1.00 H new ATOM 0 HD1 TYR A 25 -9.820 -2.445 -4.967 1.00 1.00 H new ATOM 0 HD2 TYR A 25 -13.470 -4.100 -3.420 1.00 1.00 H new ATOM 0 HE1 TYR A 25 -11.027 -1.631 -6.963 1.00 1.00 H new ATOM 0 HE2 TYR A 25 -14.690 -3.282 -5.426 1.00 1.00 H new ATOM 0 HH TYR A 25 -14.556 -2.192 -7.377 1.00 1.00 H new ATOM 365 N GLU A 26 -9.659 -6.549 -1.922 1.00 1.00 N ATOM 366 CA GLU A 26 -9.246 -7.433 -0.836 1.00 1.00 C ATOM 367 C GLU A 26 -7.787 -7.855 -0.990 1.00 1.00 C ATOM 368 O GLU A 26 -6.968 -7.648 -0.084 1.00 1.00 O ATOM 369 CB GLU A 26 -10.140 -8.684 -0.828 1.00 1.00 C ATOM 370 CG GLU A 26 -11.460 -8.367 -0.135 1.00 1.00 C ATOM 371 CD GLU A 26 -12.370 -9.590 -0.167 1.00 1.00 C ATOM 372 OE1 GLU A 26 -11.960 -10.600 -0.707 1.00 1.00 O ATOM 373 OE2 GLU A 26 -13.470 -9.497 0.354 1.00 1.00 O ATOM 0 H GLU A 26 -10.436 -6.894 -2.486 1.00 1.00 H new ATOM 0 HA GLU A 26 -9.348 -6.891 0.104 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -10.325 -9.017 -1.849 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -9.635 -9.501 -0.313 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -11.276 -8.067 0.897 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -11.948 -7.527 -0.629 1.00 1.00 H new ATOM 380 N GLU A 27 -7.458 -8.428 -2.143 1.00 1.00 N ATOM 381 CA GLU A 27 -6.095 -8.870 -2.393 1.00 1.00 C ATOM 382 C GLU A 27 -5.141 -7.675 -2.396 1.00 1.00 C ATOM 383 O GLU A 27 -4.068 -7.719 -1.790 1.00 1.00 O ATOM 384 CB GLU A 27 -6.019 -9.596 -3.745 1.00 1.00 C ATOM 385 CG GLU A 27 -4.857 -10.580 -3.745 1.00 1.00 C ATOM 386 CD GLU A 27 -5.210 -11.790 -2.890 1.00 1.00 C ATOM 387 OE1 GLU A 27 -6.343 -11.870 -2.443 1.00 1.00 O ATOM 388 OE2 GLU A 27 -4.342 -12.620 -2.692 1.00 1.00 O ATOM 0 H GLU A 27 -8.110 -8.595 -2.910 1.00 1.00 H new ATOM 0 HA GLU A 27 -5.800 -9.556 -1.599 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -6.953 -10.124 -3.936 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -5.892 -8.871 -4.549 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -4.635 -10.895 -4.764 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -3.959 -10.098 -3.357 1.00 1.00 H new ATOM 395 N ALA A 28 -5.542 -6.608 -3.079 1.00 1.00 N ATOM 396 CA ALA A 28 -4.721 -5.408 -3.154 1.00 1.00 C ATOM 397 C ALA A 28 -4.454 -4.864 -1.758 1.00 1.00 C ATOM 398 O ALA A 28 -3.325 -4.493 -1.444 1.00 1.00 O ATOM 399 CB ALA A 28 -5.432 -4.341 -3.990 1.00 1.00 C ATOM 0 H ALA A 28 -6.426 -6.551 -3.585 1.00 1.00 H new ATOM 0 HA ALA A 28 -3.772 -5.664 -3.624 1.00 1.00 H new ATOM 0 HB1 ALA A 28 -4.812 -3.446 -4.042 1.00 1.00 H new ATOM 0 HB2 ALA A 28 -5.604 -4.722 -4.997 1.00 1.00 H new ATOM 0 HB3 ALA A 28 -6.388 -4.094 -3.528 1.00 1.00 H new ATOM 405 N LEU A 29 -5.491 -4.818 -0.915 1.00 1.00 N ATOM 406 CA LEU A 29 -5.338 -4.306 0.423 1.00 1.00 C ATOM 407 C LEU A 29 -4.288 -5.088 1.192 1.00 1.00 C ATOM 408 O LEU A 29 -3.427 -4.502 1.852 1.00 1.00 O ATOM 409 CB LEU A 29 -6.685 -4.410 1.163 1.00 1.00 C ATOM 410 CG LEU A 29 -6.513 -4.045 2.644 1.00 1.00 C ATOM 411 CD1 LEU A 29 -6.232 -2.564 2.786 1.00 1.00 C ATOM 412 CD2 LEU A 29 -7.773 -4.405 3.416 1.00 1.00 C ATOM 0 H LEU A 29 -6.434 -5.130 -1.147 1.00 1.00 H new ATOM 0 HA LEU A 29 -5.017 -3.266 0.358 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -7.413 -3.744 0.700 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -7.078 -5.423 1.075 1.00 1.00 H new ATOM 0 HG LEU A 29 -5.671 -4.607 3.049 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -6.112 -2.316 3.841 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -5.318 -2.314 2.248 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -7.064 -1.994 2.372 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -7.644 -4.143 4.466 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -8.620 -3.855 3.007 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -7.959 -5.475 3.329 1.00 1.00 H new ATOM 424 N ARG A 30 -4.362 -6.408 1.115 1.00 1.00 N ATOM 425 CA ARG A 30 -3.410 -7.244 1.840 1.00 1.00 C ATOM 426 C ARG A 30 -1.985 -6.938 1.395 1.00 1.00 C ATOM 427 O ARG A 30 -1.068 -6.854 2.222 1.00 1.00 O ATOM 428 CB ARG A 30 -3.735 -8.730 1.589 1.00 1.00 C ATOM 429 CG ARG A 30 -4.656 -9.266 2.691 1.00 1.00 C ATOM 430 CD ARG A 30 -6.080 -8.756 2.463 1.00 1.00 C ATOM 431 NE ARG A 30 -6.731 -9.535 1.419 1.00 1.00 N ATOM 432 CZ ARG A 30 -7.232 -10.730 1.674 1.00 1.00 C ATOM 433 NH1 ARG A 30 -7.141 -11.230 2.876 1.00 1.00 N ATOM 434 NH2 ARG A 30 -7.813 -11.410 0.725 1.00 1.00 N ATOM 0 H ARG A 30 -5.056 -6.919 0.569 1.00 1.00 H new ATOM 0 HA ARG A 30 -3.491 -7.031 2.906 1.00 1.00 H new ATOM 0 HB2 ARG A 30 -4.214 -8.845 0.617 1.00 1.00 H new ATOM 0 HB3 ARG A 30 -2.813 -9.311 1.561 1.00 1.00 H new ATOM 0 HG2 ARG A 30 -4.645 -10.356 2.690 1.00 1.00 H new ATOM 0 HG3 ARG A 30 -4.296 -8.944 3.668 1.00 1.00 H new ATOM 0 HD2 ARG A 30 -6.652 -8.825 3.389 1.00 1.00 H new ATOM 0 HD3 ARG A 30 -6.056 -7.703 2.181 1.00 1.00 H new ATOM 0 HE ARG A 30 -6.801 -9.152 0.476 1.00 1.00 H new ATOM 0 HH11 ARG A 30 -6.684 -10.698 3.616 1.00 1.00 H new ATOM 0 HH12 ARG A 30 -7.527 -12.153 3.075 1.00 1.00 H new ATOM 0 HH21 ARG A 30 -7.881 -11.019 -0.215 1.00 1.00 H new ATOM 0 HH22 ARG A 30 -8.200 -12.333 0.922 1.00 1.00 H new ATOM 448 N LEU A 31 -1.802 -6.790 0.091 1.00 1.00 N ATOM 449 CA LEU A 31 -0.479 -6.506 -0.452 1.00 1.00 C ATOM 450 C LEU A 31 -0.024 -5.113 -0.043 1.00 1.00 C ATOM 451 O LEU A 31 1.151 -4.897 0.261 1.00 1.00 O ATOM 452 CB LEU A 31 -0.509 -6.617 -1.974 1.00 1.00 C ATOM 453 CG LEU A 31 -0.946 -8.028 -2.375 1.00 1.00 C ATOM 454 CD1 LEU A 31 -1.263 -8.057 -3.871 1.00 1.00 C ATOM 455 CD2 LEU A 31 0.167 -9.032 -2.068 1.00 1.00 C ATOM 0 H LEU A 31 -2.544 -6.861 -0.606 1.00 1.00 H new ATOM 0 HA LEU A 31 0.227 -7.234 -0.052 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -1.196 -5.880 -2.389 1.00 1.00 H new ATOM 0 HB3 LEU A 31 0.477 -6.400 -2.385 1.00 1.00 H new ATOM 0 HG LEU A 31 -1.835 -8.300 -1.806 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -1.574 -9.062 -4.158 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -2.067 -7.353 -4.086 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -0.374 -7.777 -4.437 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -0.155 -10.032 -2.357 1.00 1.00 H new ATOM 0 HD22 LEU A 31 1.063 -8.764 -2.627 1.00 1.00 H new ATOM 0 HD23 LEU A 31 0.387 -9.016 -1.001 1.00 1.00 H new ATOM 467 N TYR A 32 -0.955 -4.166 -0.043 1.00 1.00 N ATOM 468 CA TYR A 32 -0.624 -2.797 0.324 1.00 1.00 C ATOM 469 C TYR A 32 -0.066 -2.730 1.741 1.00 1.00 C ATOM 470 O TYR A 32 0.978 -2.117 1.979 1.00 1.00 O ATOM 471 CB TYR A 32 -1.886 -1.915 0.228 1.00 1.00 C ATOM 472 CG TYR A 32 -2.029 -1.361 -1.173 1.00 1.00 C ATOM 473 CD1 TYR A 32 -1.028 -0.529 -1.696 1.00 1.00 C ATOM 474 CD2 TYR A 32 -3.152 -1.675 -1.945 1.00 1.00 C ATOM 475 CE1 TYR A 32 -1.148 -0.020 -2.991 1.00 1.00 C ATOM 476 CE2 TYR A 32 -3.273 -1.161 -3.239 1.00 1.00 C ATOM 477 CZ TYR A 32 -2.271 -0.337 -3.764 1.00 1.00 C ATOM 478 OH TYR A 32 -2.391 0.159 -5.044 1.00 1.00 O ATOM 0 H TYR A 32 -1.933 -4.319 -0.290 1.00 1.00 H new ATOM 0 HA TYR A 32 0.138 -2.433 -0.366 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -2.768 -2.500 0.488 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -1.823 -1.097 0.946 1.00 1.00 H new ATOM 0 HD1 TYR A 32 -0.164 -0.282 -1.097 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -3.924 -2.313 -1.542 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -0.375 0.617 -3.395 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -4.141 -1.400 -3.835 1.00 1.00 H new ATOM 0 HH TYR A 32 -3.229 -0.159 -5.441 1.00 1.00 H new ATOM 488 N GLN A 33 -0.768 -3.358 2.675 1.00 1.00 N ATOM 489 CA GLN A 33 -0.336 -3.353 4.064 1.00 1.00 C ATOM 490 C GLN A 33 1.005 -4.063 4.213 1.00 1.00 C ATOM 491 O GLN A 33 1.896 -3.597 4.936 1.00 1.00 O ATOM 492 CB GLN A 33 -1.386 -4.048 4.936 1.00 1.00 C ATOM 493 CG GLN A 33 -2.676 -3.226 4.944 1.00 1.00 C ATOM 494 CD GLN A 33 -3.715 -3.891 5.840 1.00 1.00 C ATOM 495 OE1 GLN A 33 -3.425 -4.897 6.488 1.00 1.00 O ATOM 496 NE2 GLN A 33 -4.915 -3.385 5.919 1.00 1.00 N ATOM 0 H GLN A 33 -1.631 -3.872 2.498 1.00 1.00 H new ATOM 0 HA GLN A 33 -0.221 -2.318 4.387 1.00 1.00 H new ATOM 0 HB2 GLN A 33 -1.584 -5.050 4.555 1.00 1.00 H new ATOM 0 HB3 GLN A 33 -1.010 -4.163 5.953 1.00 1.00 H new ATOM 0 HG2 GLN A 33 -2.471 -2.216 5.299 1.00 1.00 H new ATOM 0 HG3 GLN A 33 -3.064 -3.134 3.930 1.00 1.00 H new ATOM 0 HE21 GLN A 33 -5.153 -2.552 5.381 1.00 1.00 H new ATOM 0 HE22 GLN A 33 -5.615 -3.823 6.518 1.00 1.00 H new ATOM 505 N HIS A 34 1.149 -5.188 3.524 1.00 1.00 N ATOM 506 CA HIS A 34 2.394 -5.949 3.593 1.00 1.00 C ATOM 507 C HIS A 34 3.556 -5.138 3.021 1.00 1.00 C ATOM 508 O HIS A 34 4.607 -5.011 3.648 1.00 1.00 O ATOM 509 CB HIS A 34 2.240 -7.266 2.805 1.00 1.00 C ATOM 510 CG HIS A 34 1.754 -8.356 3.722 1.00 1.00 C ATOM 511 ND1 HIS A 34 0.475 -8.877 3.637 1.00 1.00 N ATOM 512 CD2 HIS A 34 2.366 -9.020 4.752 1.00 1.00 C ATOM 513 CE1 HIS A 34 0.358 -9.817 4.594 1.00 1.00 C ATOM 514 NE2 HIS A 34 1.483 -9.944 5.303 1.00 1.00 N ATOM 0 H HIS A 34 0.433 -5.590 2.920 1.00 1.00 H new ATOM 0 HA HIS A 34 2.609 -6.171 4.638 1.00 1.00 H new ATOM 0 HB2 HIS A 34 1.537 -7.129 1.984 1.00 1.00 H new ATOM 0 HB3 HIS A 34 3.195 -7.549 2.363 1.00 1.00 H new ATOM 0 HD1 HIS A 34 -0.247 -8.600 2.972 1.00 1.00 H new ATOM 0 HD2 HIS A 34 3.379 -8.852 5.086 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -0.536 -10.397 4.767 1.00 1.00 H new ATOM 523 N ALA A 35 3.359 -4.596 1.827 1.00 1.00 N ATOM 524 CA ALA A 35 4.399 -3.813 1.177 1.00 1.00 C ATOM 525 C ALA A 35 4.884 -2.698 2.095 1.00 1.00 C ATOM 526 O ALA A 35 6.088 -2.494 2.258 1.00 1.00 O ATOM 527 CB ALA A 35 3.861 -3.217 -0.127 1.00 1.00 C ATOM 0 H ALA A 35 2.495 -4.683 1.292 1.00 1.00 H new ATOM 0 HA ALA A 35 5.241 -4.469 0.954 1.00 1.00 H new ATOM 0 HB1 ALA A 35 4.644 -2.632 -0.610 1.00 1.00 H new ATOM 0 HB2 ALA A 35 3.547 -4.021 -0.792 1.00 1.00 H new ATOM 0 HB3 ALA A 35 3.009 -2.573 0.091 1.00 1.00 H new ATOM 533 N VAL A 36 3.939 -1.986 2.696 1.00 1.00 N ATOM 534 CA VAL A 36 4.278 -0.898 3.603 1.00 1.00 C ATOM 535 C VAL A 36 5.158 -1.409 4.738 1.00 1.00 C ATOM 536 O VAL A 36 6.133 -0.761 5.121 1.00 1.00 O ATOM 537 CB VAL A 36 3.001 -0.265 4.168 1.00 1.00 C ATOM 538 CG1 VAL A 36 3.359 0.616 5.374 1.00 1.00 C ATOM 539 CG2 VAL A 36 2.325 0.590 3.078 1.00 1.00 C ATOM 0 H VAL A 36 2.938 -2.141 2.573 1.00 1.00 H new ATOM 0 HA VAL A 36 4.831 -0.140 3.048 1.00 1.00 H new ATOM 0 HB VAL A 36 2.314 -1.049 4.486 1.00 1.00 H new ATOM 0 HG11 VAL A 36 2.452 1.067 5.777 1.00 1.00 H new ATOM 0 HG12 VAL A 36 3.833 0.006 6.142 1.00 1.00 H new ATOM 0 HG13 VAL A 36 4.046 1.402 5.060 1.00 1.00 H new ATOM 0 HG21 VAL A 36 1.417 1.040 3.480 1.00 1.00 H new ATOM 0 HG22 VAL A 36 3.008 1.376 2.756 1.00 1.00 H new ATOM 0 HG23 VAL A 36 2.071 -0.041 2.226 1.00 1.00 H new ATOM 549 N GLU A 37 4.802 -2.568 5.275 1.00 1.00 N ATOM 550 CA GLU A 37 5.570 -3.154 6.370 1.00 1.00 C ATOM 551 C GLU A 37 7.033 -3.310 5.970 1.00 1.00 C ATOM 552 O GLU A 37 7.937 -2.916 6.708 1.00 1.00 O ATOM 553 CB GLU A 37 4.996 -4.524 6.726 1.00 1.00 C ATOM 554 CG GLU A 37 5.475 -4.936 8.119 1.00 1.00 C ATOM 555 CD GLU A 37 4.739 -4.130 9.185 1.00 1.00 C ATOM 556 OE1 GLU A 37 3.822 -3.409 8.826 1.00 1.00 O ATOM 557 OE2 GLU A 37 5.103 -4.245 10.344 1.00 1.00 O ATOM 0 H GLU A 37 3.996 -3.117 4.976 1.00 1.00 H new ATOM 0 HA GLU A 37 5.506 -2.492 7.233 1.00 1.00 H new ATOM 0 HB2 GLU A 37 3.907 -4.491 6.700 1.00 1.00 H new ATOM 0 HB3 GLU A 37 5.310 -5.263 5.989 1.00 1.00 H new ATOM 0 HG2 GLU A 37 5.301 -6.001 8.272 1.00 1.00 H new ATOM 0 HG3 GLU A 37 6.549 -4.773 8.206 1.00 1.00 H new ATOM 564 N TYR A 38 7.260 -3.880 4.793 1.00 1.00 N ATOM 565 CA TYR A 38 8.625 -4.074 4.303 1.00 1.00 C ATOM 566 C TYR A 38 9.322 -2.729 4.110 1.00 1.00 C ATOM 567 O TYR A 38 10.511 -2.585 4.401 1.00 1.00 O ATOM 568 CB TYR A 38 8.608 -4.844 2.977 1.00 1.00 C ATOM 569 CG TYR A 38 8.488 -6.326 3.249 1.00 1.00 C ATOM 570 CD1 TYR A 38 7.316 -6.840 3.810 1.00 1.00 C ATOM 571 CD2 TYR A 38 9.550 -7.183 2.940 1.00 1.00 C ATOM 572 CE1 TYR A 38 7.202 -8.209 4.063 1.00 1.00 C ATOM 573 CE2 TYR A 38 9.438 -8.552 3.194 1.00 1.00 C ATOM 574 CZ TYR A 38 8.265 -9.067 3.756 1.00 1.00 C ATOM 575 OH TYR A 38 8.156 -10.410 4.007 1.00 1.00 O ATOM 0 H TYR A 38 6.529 -4.213 4.165 1.00 1.00 H new ATOM 0 HA TYR A 38 9.176 -4.652 5.045 1.00 1.00 H new ATOM 0 HB2 TYR A 38 7.773 -4.509 2.362 1.00 1.00 H new ATOM 0 HB3 TYR A 38 9.520 -4.640 2.416 1.00 1.00 H new ATOM 0 HD1 TYR A 38 6.497 -6.178 4.048 1.00 1.00 H new ATOM 0 HD2 TYR A 38 10.456 -6.786 2.505 1.00 1.00 H new ATOM 0 HE1 TYR A 38 6.295 -8.605 4.495 1.00 1.00 H new ATOM 0 HE2 TYR A 38 10.258 -9.214 2.956 1.00 1.00 H new ATOM 0 HH TYR A 38 8.982 -10.862 3.734 1.00 1.00 H new ATOM 585 N PHE A 39 8.579 -1.748 3.618 1.00 1.00 N ATOM 586 CA PHE A 39 9.149 -0.422 3.396 1.00 1.00 C ATOM 587 C PHE A 39 9.632 0.191 4.712 1.00 1.00 C ATOM 588 O PHE A 39 10.782 0.642 4.825 1.00 1.00 O ATOM 589 CB PHE A 39 8.087 0.494 2.757 1.00 1.00 C ATOM 590 CG PHE A 39 8.096 0.326 1.252 1.00 1.00 C ATOM 591 CD1 PHE A 39 9.245 0.664 0.523 1.00 1.00 C ATOM 592 CD2 PHE A 39 6.965 -0.165 0.587 1.00 1.00 C ATOM 593 CE1 PHE A 39 9.263 0.510 -0.863 1.00 1.00 C ATOM 594 CE2 PHE A 39 6.985 -0.320 -0.803 1.00 1.00 C ATOM 595 CZ PHE A 39 8.134 0.017 -1.527 1.00 1.00 C ATOM 0 H PHE A 39 7.595 -1.840 3.367 1.00 1.00 H new ATOM 0 HA PHE A 39 10.004 -0.519 2.727 1.00 1.00 H new ATOM 0 HB2 PHE A 39 7.101 0.252 3.152 1.00 1.00 H new ATOM 0 HB3 PHE A 39 8.288 1.533 3.016 1.00 1.00 H new ATOM 0 HD1 PHE A 39 10.117 1.044 1.035 1.00 1.00 H new ATOM 0 HD2 PHE A 39 6.078 -0.424 1.147 1.00 1.00 H new ATOM 0 HE1 PHE A 39 10.148 0.771 -1.424 1.00 1.00 H new ATOM 0 HE2 PHE A 39 6.114 -0.699 -1.317 1.00 1.00 H new ATOM 0 HZ PHE A 39 8.150 -0.104 -2.600 1.00 1.00 H new ATOM 605 N LEU A 40 8.754 0.191 5.705 1.00 1.00 N ATOM 606 CA LEU A 40 9.091 0.745 7.009 1.00 1.00 C ATOM 607 C LEU A 40 10.258 -0.028 7.616 1.00 1.00 C ATOM 608 O LEU A 40 11.147 0.545 8.243 1.00 1.00 O ATOM 609 CB LEU A 40 7.882 0.665 7.941 1.00 1.00 C ATOM 610 CG LEU A 40 6.758 1.563 7.403 1.00 1.00 C ATOM 611 CD1 LEU A 40 5.448 1.217 8.113 1.00 1.00 C ATOM 612 CD2 LEU A 40 7.098 3.041 7.650 1.00 1.00 C ATOM 0 H LEU A 40 7.808 -0.184 5.634 1.00 1.00 H new ATOM 0 HA LEU A 40 9.377 1.789 6.884 1.00 1.00 H new ATOM 0 HB2 LEU A 40 7.534 -0.365 8.015 1.00 1.00 H new ATOM 0 HB3 LEU A 40 8.163 0.979 8.946 1.00 1.00 H new ATOM 0 HG LEU A 40 6.652 1.397 6.331 1.00 1.00 H new ATOM 0 HD11 LEU A 40 4.649 1.853 7.733 1.00 1.00 H new ATOM 0 HD12 LEU A 40 5.199 0.172 7.928 1.00 1.00 H new ATOM 0 HD13 LEU A 40 5.561 1.379 9.185 1.00 1.00 H new ATOM 0 HD21 LEU A 40 6.294 3.669 7.265 1.00 1.00 H new ATOM 0 HD22 LEU A 40 7.212 3.214 8.720 1.00 1.00 H new ATOM 0 HD23 LEU A 40 8.029 3.290 7.141 1.00 1.00 H new ATOM 624 N HIS A 41 10.252 -1.334 7.421 1.00 1.00 N ATOM 625 CA HIS A 41 11.315 -2.173 7.954 1.00 1.00 C ATOM 626 C HIS A 41 12.647 -1.852 7.273 1.00 1.00 C ATOM 627 O HIS A 41 13.707 -1.937 7.873 1.00 1.00 O ATOM 628 CB HIS A 41 10.977 -3.653 7.738 1.00 1.00 C ATOM 629 CG HIS A 41 11.875 -4.511 8.588 1.00 1.00 C ATOM 630 ND1 HIS A 41 13.117 -5.050 8.359 1.00 1.00 N flip ATOM 631 CD2 HIS A 41 11.521 -4.913 9.867 1.00 1.00 C flip ATOM 632 CE1 HIS A 41 13.529 -5.772 9.475 1.00 1.00 C flip ATOM 633 NE2 HIS A 41 12.530 -5.659 10.353 1.00 1.00 N flip ATOM 0 H HIS A 41 9.531 -1.835 6.903 1.00 1.00 H new ATOM 0 HA HIS A 41 11.405 -1.972 9.022 1.00 1.00 H new ATOM 0 HB2 HIS A 41 9.934 -3.838 7.994 1.00 1.00 H new ATOM 0 HB3 HIS A 41 11.099 -3.913 6.687 1.00 1.00 H new ATOM 0 HD2 HIS A 41 10.602 -4.671 10.380 1.00 1.00 H new ATOM 0 HE1 HIS A 41 14.458 -6.308 9.603 1.00 1.00 H new ATOM 0 HE2 HIS A 41 12.531 -6.086 11.279 1.00 1.00 H new ATOM 642 N ALA A 42 12.582 -1.506 6.004 1.00 1.00 N ATOM 643 CA ALA A 42 13.794 -1.203 5.249 1.00 1.00 C ATOM 644 C ALA A 42 14.493 0.046 5.786 1.00 1.00 C ATOM 645 O ALA A 42 15.689 0.061 6.024 1.00 1.00 O ATOM 646 CB ALA A 42 13.455 -0.964 3.777 1.00 1.00 C ATOM 0 H ALA A 42 11.715 -1.426 5.472 1.00 1.00 H new ATOM 0 HA ALA A 42 14.459 -2.060 5.354 1.00 1.00 H new ATOM 0 HB1 ALA A 42 14.368 -0.739 3.225 1.00 1.00 H new ATOM 0 HB2 ALA A 42 12.990 -1.858 3.361 1.00 1.00 H new ATOM 0 HB3 ALA A 42 12.765 -0.124 3.694 1.00 1.00 H new ATOM 652 N ILE A 43 13.727 1.086 6.013 1.00 1.00 N ATOM 653 CA ILE A 43 14.299 2.334 6.515 1.00 1.00 C ATOM 654 C ILE A 43 14.835 2.175 7.935 1.00 1.00 C ATOM 655 O ILE A 43 15.823 2.811 8.311 1.00 1.00 O ATOM 656 CB ILE A 43 13.246 3.438 6.475 1.00 1.00 C ATOM 657 CG1 ILE A 43 11.938 2.916 7.060 1.00 1.00 C ATOM 658 CG2 ILE A 43 13.016 3.874 5.032 1.00 1.00 C ATOM 659 CD1 ILE A 43 10.880 4.023 7.048 1.00 1.00 C ATOM 0 H ILE A 43 12.718 1.105 5.864 1.00 1.00 H new ATOM 0 HA ILE A 43 15.137 2.603 5.872 1.00 1.00 H new ATOM 0 HB ILE A 43 13.594 4.289 7.061 1.00 1.00 H new ATOM 0 HG12 ILE A 43 11.588 2.061 6.482 1.00 1.00 H new ATOM 0 HG13 ILE A 43 12.100 2.567 8.080 1.00 1.00 H new ATOM 0 HG21 ILE A 43 12.264 4.662 5.006 1.00 1.00 H new ATOM 0 HG22 ILE A 43 13.949 4.249 4.612 1.00 1.00 H new ATOM 0 HG23 ILE A 43 12.670 3.023 4.445 1.00 1.00 H new ATOM 0 HD11 ILE A 43 9.949 3.641 7.468 1.00 1.00 H new ATOM 0 HD12 ILE A 43 11.228 4.866 7.645 1.00 1.00 H new ATOM 0 HD13 ILE A 43 10.708 4.351 6.023 1.00 1.00 H new ATOM 671 N LYS A 44 14.173 1.334 8.722 1.00 1.00 N ATOM 672 CA LYS A 44 14.599 1.115 10.099 1.00 1.00 C ATOM 673 C LYS A 44 15.714 0.083 10.197 1.00 1.00 C ATOM 674 O LYS A 44 16.755 0.322 10.817 1.00 1.00 O ATOM 675 CB LYS A 44 13.422 0.616 10.940 1.00 1.00 C ATOM 676 CG LYS A 44 12.332 1.653 10.967 1.00 1.00 C ATOM 677 CD LYS A 44 11.208 1.227 11.908 1.00 1.00 C ATOM 678 CE LYS A 44 10.029 2.198 11.789 1.00 1.00 C ATOM 679 NZ LYS A 44 10.425 3.538 12.308 1.00 1.00 N ATOM 0 H LYS A 44 13.352 0.800 8.436 1.00 1.00 H new ATOM 0 HA LYS A 44 14.968 2.072 10.469 1.00 1.00 H new ATOM 0 HB2 LYS A 44 13.038 -0.316 10.526 1.00 1.00 H new ATOM 0 HB3 LYS A 44 13.755 0.400 11.955 1.00 1.00 H new ATOM 0 HG2 LYS A 44 12.741 2.610 11.290 1.00 1.00 H new ATOM 0 HG3 LYS A 44 11.936 1.799 9.962 1.00 1.00 H new ATOM 0 HD2 LYS A 44 10.883 0.215 11.665 1.00 1.00 H new ATOM 0 HD3 LYS A 44 11.571 1.207 12.936 1.00 1.00 H new ATOM 0 HE2 LYS A 44 9.716 2.279 10.748 1.00 1.00 H new ATOM 0 HE3 LYS A 44 9.175 1.818 12.350 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 9.583 4.144 12.384 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 10.861 3.432 13.246 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 11.108 3.975 11.656 1.00 1.00 H new ATOM 693 N TYR A 45 15.491 -1.069 9.574 1.00 1.00 N ATOM 694 CA TYR A 45 16.463 -2.155 9.630 1.00 1.00 C ATOM 695 C TYR A 45 17.541 -2.024 8.559 1.00 1.00 C ATOM 696 O TYR A 45 18.601 -2.657 8.650 1.00 1.00 O ATOM 697 CB TYR A 45 15.754 -3.506 9.479 1.00 1.00 C ATOM 698 CG TYR A 45 14.864 -3.743 10.678 1.00 1.00 C ATOM 699 CD1 TYR A 45 13.661 -3.048 10.803 1.00 1.00 C ATOM 700 CD2 TYR A 45 15.240 -4.656 11.664 1.00 1.00 C ATOM 701 CE1 TYR A 45 12.827 -3.254 11.904 1.00 1.00 C ATOM 702 CE2 TYR A 45 14.410 -4.873 12.773 1.00 1.00 C ATOM 703 CZ TYR A 45 13.202 -4.172 12.895 1.00 1.00 C ATOM 704 OH TYR A 45 12.387 -4.389 13.986 1.00 1.00 O ATOM 0 H TYR A 45 14.654 -1.274 9.029 1.00 1.00 H new ATOM 0 HA TYR A 45 16.952 -2.096 10.602 1.00 1.00 H new ATOM 0 HB2 TYR A 45 15.161 -3.518 8.564 1.00 1.00 H new ATOM 0 HB3 TYR A 45 16.488 -4.307 9.393 1.00 1.00 H new ATOM 0 HD1 TYR A 45 13.371 -2.342 10.039 1.00 1.00 H new ATOM 0 HD2 TYR A 45 16.171 -5.196 11.573 1.00 1.00 H new ATOM 0 HE1 TYR A 45 11.899 -2.709 11.992 1.00 1.00 H new ATOM 0 HE2 TYR A 45 14.702 -5.581 13.534 1.00 1.00 H new ATOM 0 HH TYR A 45 12.798 -5.057 14.574 1.00 1.00 H new ATOM 714 N GLU A 46 17.273 -1.202 7.551 1.00 1.00 N ATOM 715 CA GLU A 46 18.229 -0.982 6.466 1.00 1.00 C ATOM 716 C GLU A 46 18.576 0.496 6.378 1.00 1.00 C ATOM 717 O GLU A 46 17.729 1.359 6.595 1.00 1.00 O ATOM 718 CB GLU A 46 17.658 -1.470 5.135 1.00 1.00 C ATOM 719 CG GLU A 46 17.265 -2.937 5.260 1.00 1.00 C ATOM 720 CD GLU A 46 16.814 -3.468 3.908 1.00 1.00 C ATOM 721 OE1 GLU A 46 16.356 -2.672 3.105 1.00 1.00 O ATOM 722 OE2 GLU A 46 16.927 -4.663 3.696 1.00 1.00 O ATOM 0 H GLU A 46 16.404 -0.676 7.460 1.00 1.00 H new ATOM 0 HA GLU A 46 19.134 -1.551 6.678 1.00 1.00 H new ATOM 0 HB2 GLU A 46 16.790 -0.872 4.858 1.00 1.00 H new ATOM 0 HB3 GLU A 46 18.396 -1.346 4.343 1.00 1.00 H new ATOM 0 HG2 GLU A 46 18.111 -3.519 5.626 1.00 1.00 H new ATOM 0 HG3 GLU A 46 16.463 -3.047 5.990 1.00 1.00 H new ATOM 729 N ALA A 47 19.830 0.779 6.070 1.00 1.00 N ATOM 730 CA ALA A 47 20.299 2.164 5.972 1.00 1.00 C ATOM 731 C ALA A 47 20.108 2.698 4.558 1.00 1.00 C ATOM 732 O ALA A 47 20.198 1.951 3.584 1.00 1.00 O ATOM 733 CB ALA A 47 21.782 2.246 6.354 1.00 1.00 C ATOM 0 H ALA A 47 20.545 0.076 5.883 1.00 1.00 H new ATOM 0 HA ALA A 47 19.712 2.772 6.660 1.00 1.00 H new ATOM 0 HB1 ALA A 47 22.121 3.279 6.278 1.00 1.00 H new ATOM 0 HB2 ALA A 47 21.914 1.895 7.378 1.00 1.00 H new ATOM 0 HB3 ALA A 47 22.367 1.622 5.678 1.00 1.00 H new ATOM 739 N HIS A 48 19.846 3.997 4.453 1.00 1.00 N ATOM 740 CA HIS A 48 19.645 4.625 3.154 1.00 1.00 C ATOM 741 C HIS A 48 19.932 6.119 3.229 1.00 1.00 C ATOM 742 O HIS A 48 20.440 6.614 4.234 1.00 1.00 O ATOM 743 CB HIS A 48 18.215 4.385 2.670 1.00 1.00 C ATOM 744 CG HIS A 48 18.021 2.928 2.368 1.00 1.00 C ATOM 745 ND1 HIS A 48 18.528 2.342 1.215 1.00 1.00 N ATOM 746 CD2 HIS A 48 17.380 1.921 3.049 1.00 1.00 C ATOM 747 CE1 HIS A 48 18.184 1.042 1.240 1.00 1.00 C ATOM 748 NE2 HIS A 48 17.484 0.735 2.336 1.00 1.00 N ATOM 0 H HIS A 48 19.768 4.632 5.248 1.00 1.00 H new ATOM 0 HA HIS A 48 20.339 4.177 2.443 1.00 1.00 H new ATOM 0 HB2 HIS A 48 17.504 4.706 3.432 1.00 1.00 H new ATOM 0 HB3 HIS A 48 18.018 4.980 1.779 1.00 1.00 H new ATOM 0 HD2 HIS A 48 16.872 2.035 3.995 1.00 1.00 H new ATOM 0 HE1 HIS A 48 18.442 0.332 0.468 1.00 1.00 H new ATOM 0 HE2 HIS A 48 17.106 -0.177 2.594 1.00 1.00 H new ATOM 757 N SER A 49 19.601 6.837 2.159 1.00 1.00 N ATOM 758 CA SER A 49 19.834 8.279 2.110 1.00 1.00 C ATOM 759 C SER A 49 18.599 9.044 2.573 1.00 1.00 C ATOM 760 O SER A 49 17.467 8.610 2.363 1.00 1.00 O ATOM 761 CB SER A 49 20.187 8.698 0.683 1.00 1.00 C ATOM 762 OG SER A 49 21.099 7.758 0.130 1.00 1.00 O ATOM 0 H SER A 49 19.173 6.448 1.319 1.00 1.00 H new ATOM 0 HA SER A 49 20.662 8.515 2.779 1.00 1.00 H new ATOM 0 HB2 SER A 49 19.285 8.749 0.073 1.00 1.00 H new ATOM 0 HB3 SER A 49 20.629 9.694 0.683 1.00 1.00 H new ATOM 0 HG SER A 49 21.326 8.023 -0.786 1.00 1.00 H new ATOM 768 N ASP A 50 18.822 10.193 3.203 1.00 1.00 N ATOM 769 CA ASP A 50 17.718 11.012 3.688 1.00 1.00 C ATOM 770 C ASP A 50 16.659 11.173 2.599 1.00 1.00 C ATOM 771 O ASP A 50 15.455 11.199 2.881 1.00 1.00 O ATOM 772 CB ASP A 50 18.242 12.393 4.102 1.00 1.00 C ATOM 773 CG ASP A 50 17.257 13.064 5.057 1.00 1.00 C ATOM 774 OD1 ASP A 50 16.686 12.364 5.876 1.00 1.00 O ATOM 775 OD2 ASP A 50 17.085 14.267 4.949 1.00 1.00 O ATOM 0 H ASP A 50 19.749 10.575 3.388 1.00 1.00 H new ATOM 0 HA ASP A 50 17.267 10.519 4.550 1.00 1.00 H new ATOM 0 HB2 ASP A 50 19.215 12.292 4.583 1.00 1.00 H new ATOM 0 HB3 ASP A 50 18.386 13.016 3.219 1.00 1.00 H new ATOM 780 N LYS A 51 17.113 11.252 1.352 1.00 1.00 N ATOM 781 CA LYS A 51 16.197 11.379 0.224 1.00 1.00 C ATOM 782 C LYS A 51 15.377 10.097 0.073 1.00 1.00 C ATOM 783 O LYS A 51 14.178 10.136 -0.234 1.00 1.00 O ATOM 784 CB LYS A 51 16.980 11.657 -1.059 1.00 1.00 C ATOM 785 CG LYS A 51 17.662 13.024 -0.955 1.00 1.00 C ATOM 786 CD LYS A 51 18.474 13.288 -2.223 1.00 1.00 C ATOM 787 CE LYS A 51 19.261 14.588 -2.061 1.00 1.00 C ATOM 788 NZ LYS A 51 20.103 14.814 -3.271 1.00 1.00 N ATOM 0 H LYS A 51 18.101 11.231 1.098 1.00 1.00 H new ATOM 0 HA LYS A 51 15.520 12.213 0.409 1.00 1.00 H new ATOM 0 HB2 LYS A 51 17.726 10.878 -1.219 1.00 1.00 H new ATOM 0 HB3 LYS A 51 16.310 11.638 -1.918 1.00 1.00 H new ATOM 0 HG2 LYS A 51 16.914 13.806 -0.820 1.00 1.00 H new ATOM 0 HG3 LYS A 51 18.313 13.052 -0.081 1.00 1.00 H new ATOM 0 HD2 LYS A 51 19.156 12.458 -2.411 1.00 1.00 H new ATOM 0 HD3 LYS A 51 17.811 13.357 -3.085 1.00 1.00 H new ATOM 0 HE2 LYS A 51 18.577 15.425 -1.920 1.00 1.00 H new ATOM 0 HE3 LYS A 51 19.890 14.537 -1.172 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 20.639 15.699 -3.161 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 20.765 14.020 -3.386 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 19.493 14.881 -4.111 1.00 1.00 H new ATOM 802 N ALA A 52 16.032 8.956 0.291 1.00 1.00 N ATOM 803 CA ALA A 52 15.348 7.673 0.176 1.00 1.00 C ATOM 804 C ALA A 52 14.279 7.558 1.252 1.00 1.00 C ATOM 805 O ALA A 52 13.115 7.368 0.948 1.00 1.00 O ATOM 806 CB ALA A 52 16.352 6.543 0.357 1.00 1.00 C ATOM 0 H ALA A 52 17.018 8.896 0.544 1.00 1.00 H new ATOM 0 HA ALA A 52 14.885 7.606 -0.808 1.00 1.00 H new ATOM 0 HB1 ALA A 52 15.840 5.584 0.271 1.00 1.00 H new ATOM 0 HB2 ALA A 52 17.122 6.614 -0.411 1.00 1.00 H new ATOM 0 HB3 ALA A 52 16.814 6.621 1.341 1.00 1.00 H new ATOM 812 N LYS A 53 14.674 7.706 2.513 1.00 1.00 N ATOM 813 CA LYS A 53 13.721 7.612 3.613 1.00 1.00 C ATOM 814 C LYS A 53 12.492 8.457 3.329 1.00 1.00 C ATOM 815 O LYS A 53 11.367 7.962 3.391 1.00 1.00 O ATOM 816 CB LYS A 53 14.392 8.086 4.922 1.00 1.00 C ATOM 817 CG LYS A 53 14.877 6.882 5.734 1.00 1.00 C ATOM 818 CD LYS A 53 16.117 6.267 5.064 1.00 1.00 C ATOM 819 CE LYS A 53 17.379 6.820 5.723 1.00 1.00 C ATOM 820 NZ LYS A 53 17.383 8.308 5.613 1.00 1.00 N ATOM 0 H LYS A 53 15.637 7.889 2.796 1.00 1.00 H new ATOM 0 HA LYS A 53 13.409 6.573 3.719 1.00 1.00 H new ATOM 0 HB2 LYS A 53 15.232 8.741 4.692 1.00 1.00 H new ATOM 0 HB3 LYS A 53 13.685 8.670 5.511 1.00 1.00 H new ATOM 0 HG2 LYS A 53 15.118 7.191 6.751 1.00 1.00 H new ATOM 0 HG3 LYS A 53 14.084 6.137 5.806 1.00 1.00 H new ATOM 0 HD2 LYS A 53 16.092 5.181 5.156 1.00 1.00 H new ATOM 0 HD3 LYS A 53 16.120 6.497 3.999 1.00 1.00 H new ATOM 0 HE2 LYS A 53 17.416 6.522 6.771 1.00 1.00 H new ATOM 0 HE3 LYS A 53 18.265 6.406 5.242 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 18.326 8.672 5.857 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 17.146 8.585 4.639 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 16.679 8.706 6.267 1.00 1.00 H new ATOM 834 N GLU A 54 12.709 9.729 3.033 1.00 1.00 N ATOM 835 CA GLU A 54 11.594 10.622 2.750 1.00 1.00 C ATOM 836 C GLU A 54 10.689 10.007 1.690 1.00 1.00 C ATOM 837 O GLU A 54 9.462 10.093 1.785 1.00 1.00 O ATOM 838 CB GLU A 54 12.139 11.980 2.253 1.00 1.00 C ATOM 839 CG GLU A 54 11.583 13.110 3.121 1.00 1.00 C ATOM 840 CD GLU A 54 10.064 13.164 2.989 1.00 1.00 C ATOM 841 OE1 GLU A 54 9.560 12.715 1.972 1.00 1.00 O ATOM 842 OE2 GLU A 54 9.425 13.644 3.910 1.00 1.00 O ATOM 0 H GLU A 54 13.631 10.162 2.983 1.00 1.00 H new ATOM 0 HA GLU A 54 11.014 10.775 3.660 1.00 1.00 H new ATOM 0 HB2 GLU A 54 13.228 11.981 2.292 1.00 1.00 H new ATOM 0 HB3 GLU A 54 11.857 12.136 1.212 1.00 1.00 H new ATOM 0 HG2 GLU A 54 11.861 12.951 4.163 1.00 1.00 H new ATOM 0 HG3 GLU A 54 12.018 14.062 2.817 1.00 1.00 H new ATOM 849 N SER A 55 11.298 9.390 0.683 1.00 1.00 N ATOM 850 CA SER A 55 10.523 8.760 -0.377 1.00 1.00 C ATOM 851 C SER A 55 9.696 7.609 0.188 1.00 1.00 C ATOM 852 O SER A 55 8.531 7.433 -0.166 1.00 1.00 O ATOM 853 CB SER A 55 11.456 8.233 -1.470 1.00 1.00 C ATOM 854 OG SER A 55 10.685 7.675 -2.523 1.00 1.00 O ATOM 0 H SER A 55 12.310 9.313 0.579 1.00 1.00 H new ATOM 0 HA SER A 55 9.853 9.505 -0.806 1.00 1.00 H new ATOM 0 HB2 SER A 55 12.080 9.041 -1.851 1.00 1.00 H new ATOM 0 HB3 SER A 55 12.127 7.479 -1.058 1.00 1.00 H new ATOM 0 HG SER A 55 11.282 7.339 -3.223 1.00 1.00 H new ATOM 860 N ILE A 56 10.310 6.815 1.057 1.00 1.00 N ATOM 861 CA ILE A 56 9.622 5.671 1.635 1.00 1.00 C ATOM 862 C ILE A 56 8.489 6.132 2.540 1.00 1.00 C ATOM 863 O ILE A 56 7.388 5.605 2.476 1.00 1.00 O ATOM 864 CB ILE A 56 10.616 4.837 2.464 1.00 1.00 C ATOM 865 CG1 ILE A 56 11.907 4.624 1.664 1.00 1.00 C ATOM 866 CG2 ILE A 56 10.002 3.472 2.782 1.00 1.00 C ATOM 867 CD1 ILE A 56 11.582 4.130 0.265 1.00 1.00 C ATOM 0 H ILE A 56 11.272 6.941 1.373 1.00 1.00 H new ATOM 0 HA ILE A 56 9.211 5.068 0.825 1.00 1.00 H new ATOM 0 HB ILE A 56 10.839 5.368 3.389 1.00 1.00 H new ATOM 0 HG12 ILE A 56 12.466 5.558 1.607 1.00 1.00 H new ATOM 0 HG13 ILE A 56 12.544 3.901 2.174 1.00 1.00 H new ATOM 0 HG21 ILE A 56 10.707 2.884 3.369 1.00 1.00 H new ATOM 0 HG22 ILE A 56 9.083 3.610 3.351 1.00 1.00 H new ATOM 0 HG23 ILE A 56 9.778 2.948 1.853 1.00 1.00 H new ATOM 0 HD11 ILE A 56 12.507 3.983 -0.293 1.00 1.00 H new ATOM 0 HD12 ILE A 56 11.042 3.185 0.329 1.00 1.00 H new ATOM 0 HD13 ILE A 56 10.963 4.867 -0.247 1.00 1.00 H new ATOM 879 N ARG A 57 8.777 7.103 3.398 1.00 1.00 N ATOM 880 CA ARG A 57 7.768 7.606 4.326 1.00 1.00 C ATOM 881 C ARG A 57 6.570 8.162 3.555 1.00 1.00 C ATOM 882 O ARG A 57 5.438 7.713 3.731 1.00 1.00 O ATOM 883 CB ARG A 57 8.369 8.709 5.200 1.00 1.00 C ATOM 884 CG ARG A 57 9.470 8.115 6.080 1.00 1.00 C ATOM 885 CD ARG A 57 9.944 9.166 7.085 1.00 1.00 C ATOM 886 NE ARG A 57 11.002 8.622 7.929 1.00 1.00 N ATOM 887 CZ ARG A 57 11.666 9.394 8.784 1.00 1.00 C ATOM 888 NH1 ARG A 57 11.373 10.662 8.881 1.00 1.00 N ATOM 889 NH2 ARG A 57 12.610 8.882 9.527 1.00 1.00 N ATOM 0 H ARG A 57 9.689 7.554 3.472 1.00 1.00 H new ATOM 0 HA ARG A 57 7.434 6.783 4.958 1.00 1.00 H new ATOM 0 HB2 ARG A 57 8.777 9.503 4.574 1.00 1.00 H new ATOM 0 HB3 ARG A 57 7.594 9.159 5.821 1.00 1.00 H new ATOM 0 HG2 ARG A 57 9.095 7.237 6.606 1.00 1.00 H new ATOM 0 HG3 ARG A 57 10.305 7.785 5.462 1.00 1.00 H new ATOM 0 HD2 ARG A 57 10.309 10.046 6.556 1.00 1.00 H new ATOM 0 HD3 ARG A 57 9.107 9.490 7.704 1.00 1.00 H new ATOM 0 HE ARG A 57 11.237 7.632 7.862 1.00 1.00 H new ATOM 0 HH11 ARG A 57 10.635 11.061 8.301 1.00 1.00 H new ATOM 0 HH12 ARG A 57 11.882 11.254 9.537 1.00 1.00 H new ATOM 0 HH21 ARG A 57 12.837 7.891 9.451 1.00 1.00 H new ATOM 0 HH22 ARG A 57 13.120 9.474 10.183 1.00 1.00 H new ATOM 903 N ALA A 58 6.821 9.156 2.713 1.00 1.00 N ATOM 904 CA ALA A 58 5.749 9.766 1.933 1.00 1.00 C ATOM 905 C ALA A 58 4.937 8.696 1.204 1.00 1.00 C ATOM 906 O ALA A 58 3.704 8.645 1.316 1.00 1.00 O ATOM 907 CB ALA A 58 6.346 10.737 0.912 1.00 1.00 C ATOM 0 H ALA A 58 7.746 9.554 2.553 1.00 1.00 H new ATOM 0 HA ALA A 58 5.088 10.305 2.612 1.00 1.00 H new ATOM 0 HB1 ALA A 58 5.544 11.192 0.330 1.00 1.00 H new ATOM 0 HB2 ALA A 58 6.903 11.516 1.433 1.00 1.00 H new ATOM 0 HB3 ALA A 58 7.017 10.196 0.244 1.00 1.00 H new ATOM 913 N LYS A 59 5.632 7.836 0.469 1.00 1.00 N ATOM 914 CA LYS A 59 4.967 6.775 -0.267 1.00 1.00 C ATOM 915 C LYS A 59 4.241 5.828 0.673 1.00 1.00 C ATOM 916 O LYS A 59 3.119 5.405 0.394 1.00 1.00 O ATOM 917 CB LYS A 59 5.988 6.010 -1.107 1.00 1.00 C ATOM 918 CG LYS A 59 6.563 6.940 -2.191 1.00 1.00 C ATOM 919 CD LYS A 59 5.505 7.240 -3.261 1.00 1.00 C ATOM 920 CE LYS A 59 5.038 5.930 -3.912 1.00 1.00 C ATOM 921 NZ LYS A 59 4.665 6.189 -5.320 1.00 1.00 N ATOM 0 H LYS A 59 6.647 7.854 0.369 1.00 1.00 H new ATOM 0 HA LYS A 59 4.225 7.226 -0.926 1.00 1.00 H new ATOM 0 HB2 LYS A 59 6.790 5.636 -0.471 1.00 1.00 H new ATOM 0 HB3 LYS A 59 5.517 5.143 -1.570 1.00 1.00 H new ATOM 0 HG2 LYS A 59 6.903 7.871 -1.737 1.00 1.00 H new ATOM 0 HG3 LYS A 59 7.434 6.474 -2.653 1.00 1.00 H new ATOM 0 HD2 LYS A 59 4.657 7.756 -2.812 1.00 1.00 H new ATOM 0 HD3 LYS A 59 5.919 7.906 -4.018 1.00 1.00 H new ATOM 0 HE2 LYS A 59 5.832 5.184 -3.865 1.00 1.00 H new ATOM 0 HE3 LYS A 59 4.186 5.523 -3.367 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 4.710 5.301 -5.860 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 3.698 6.569 -5.359 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 5.325 6.879 -5.733 1.00 1.00 H new ATOM 935 N CYS A 60 4.885 5.501 1.777 1.00 1.00 N ATOM 936 CA CYS A 60 4.295 4.605 2.761 1.00 1.00 C ATOM 937 C CYS A 60 2.909 5.106 3.147 1.00 1.00 C ATOM 938 O CYS A 60 1.974 4.318 3.292 1.00 1.00 O ATOM 939 CB CYS A 60 5.191 4.531 4.003 1.00 1.00 C ATOM 940 SG CYS A 60 6.462 3.269 3.759 1.00 1.00 S ATOM 0 H CYS A 60 5.816 5.840 2.018 1.00 1.00 H new ATOM 0 HA CYS A 60 4.206 3.608 2.330 1.00 1.00 H new ATOM 0 HB2 CYS A 60 5.656 5.499 4.186 1.00 1.00 H new ATOM 0 HB3 CYS A 60 4.592 4.293 4.882 1.00 1.00 H new ATOM 0 HG CYS A 60 7.302 3.669 2.851 1.00 1.00 H new ATOM 946 N VAL A 61 2.782 6.418 3.299 1.00 1.00 N ATOM 947 CA VAL A 61 1.494 7.010 3.648 1.00 1.00 C ATOM 948 C VAL A 61 0.500 6.790 2.515 1.00 1.00 C ATOM 949 O VAL A 61 -0.634 6.372 2.741 1.00 1.00 O ATOM 950 CB VAL A 61 1.658 8.507 3.907 1.00 1.00 C ATOM 951 CG1 VAL A 61 0.299 9.124 4.238 1.00 1.00 C ATOM 952 CG2 VAL A 61 2.614 8.717 5.081 1.00 1.00 C ATOM 0 H VAL A 61 3.544 7.087 3.188 1.00 1.00 H new ATOM 0 HA VAL A 61 1.119 6.532 4.553 1.00 1.00 H new ATOM 0 HB VAL A 61 2.063 8.987 3.016 1.00 1.00 H new ATOM 0 HG11 VAL A 61 0.419 10.192 4.422 1.00 1.00 H new ATOM 0 HG12 VAL A 61 -0.382 8.975 3.400 1.00 1.00 H new ATOM 0 HG13 VAL A 61 -0.110 8.646 5.128 1.00 1.00 H new ATOM 0 HG21 VAL A 61 2.732 9.784 5.267 1.00 1.00 H new ATOM 0 HG22 VAL A 61 2.208 8.236 5.971 1.00 1.00 H new ATOM 0 HG23 VAL A 61 3.584 8.281 4.843 1.00 1.00 H new ATOM 962 N GLN A 62 0.928 7.097 1.290 1.00 1.00 N ATOM 963 CA GLN A 62 0.051 6.937 0.128 1.00 1.00 C ATOM 964 C GLN A 62 -0.489 5.510 0.058 1.00 1.00 C ATOM 965 O GLN A 62 -1.691 5.293 -0.137 1.00 1.00 O ATOM 966 CB GLN A 62 0.828 7.248 -1.152 1.00 1.00 C ATOM 967 CG GLN A 62 1.360 8.681 -1.090 1.00 1.00 C ATOM 968 CD GLN A 62 2.186 8.985 -2.336 1.00 1.00 C ATOM 969 OE1 GLN A 62 1.790 8.630 -3.447 1.00 1.00 O ATOM 970 NE2 GLN A 62 3.314 9.630 -2.218 1.00 1.00 N ATOM 0 H GLN A 62 1.860 7.452 1.077 1.00 1.00 H new ATOM 0 HA GLN A 62 -0.786 7.628 0.227 1.00 1.00 H new ATOM 0 HB2 GLN A 62 1.654 6.547 -1.268 1.00 1.00 H new ATOM 0 HB3 GLN A 62 0.182 7.126 -2.021 1.00 1.00 H new ATOM 0 HG2 GLN A 62 0.530 9.383 -1.014 1.00 1.00 H new ATOM 0 HG3 GLN A 62 1.971 8.812 -0.197 1.00 1.00 H new ATOM 0 HE21 GLN A 62 3.640 9.923 -1.297 1.00 1.00 H new ATOM 0 HE22 GLN A 62 3.870 9.841 -3.047 1.00 1.00 H new ATOM 979 N TYR A 63 0.400 4.540 0.234 1.00 1.00 N ATOM 980 CA TYR A 63 -0.002 3.142 0.198 1.00 1.00 C ATOM 981 C TYR A 63 -0.984 2.830 1.311 1.00 1.00 C ATOM 982 O TYR A 63 -2.048 2.252 1.064 1.00 1.00 O ATOM 983 CB TYR A 63 1.232 2.240 0.328 1.00 1.00 C ATOM 984 CG TYR A 63 2.173 2.468 -0.839 1.00 1.00 C ATOM 985 CD1 TYR A 63 1.675 2.555 -2.143 1.00 1.00 C ATOM 986 CD2 TYR A 63 3.547 2.601 -0.617 1.00 1.00 C ATOM 987 CE1 TYR A 63 2.533 2.775 -3.214 1.00 1.00 C ATOM 988 CE2 TYR A 63 4.413 2.814 -1.693 1.00 1.00 C ATOM 989 CZ TYR A 63 3.904 2.904 -2.993 1.00 1.00 C ATOM 990 OH TYR A 63 4.755 3.118 -4.055 1.00 1.00 O ATOM 0 H TYR A 63 1.394 4.694 0.401 1.00 1.00 H new ATOM 0 HA TYR A 63 -0.493 2.953 -0.757 1.00 1.00 H new ATOM 0 HB2 TYR A 63 1.747 2.449 1.266 1.00 1.00 H new ATOM 0 HB3 TYR A 63 0.926 1.194 0.359 1.00 1.00 H new ATOM 0 HD1 TYR A 63 0.615 2.450 -2.319 1.00 1.00 H new ATOM 0 HD2 TYR A 63 3.940 2.539 0.387 1.00 1.00 H new ATOM 0 HE1 TYR A 63 2.138 2.846 -4.217 1.00 1.00 H new ATOM 0 HE2 TYR A 63 5.475 2.909 -1.521 1.00 1.00 H new ATOM 0 HH TYR A 63 4.254 3.504 -4.803 1.00 1.00 H new ATOM 1000 N LEU A 64 -0.627 3.202 2.531 1.00 1.00 N ATOM 1001 CA LEU A 64 -1.499 2.945 3.666 1.00 1.00 C ATOM 1002 C LEU A 64 -2.847 3.616 3.457 1.00 1.00 C ATOM 1003 O LEU A 64 -3.886 2.979 3.617 1.00 1.00 O ATOM 1004 CB LEU A 64 -0.844 3.469 4.955 1.00 1.00 C ATOM 1005 CG LEU A 64 -0.032 2.360 5.619 1.00 1.00 C ATOM 1006 CD1 LEU A 64 0.889 2.960 6.682 1.00 1.00 C ATOM 1007 CD2 LEU A 64 -0.980 1.339 6.272 1.00 1.00 C ATOM 0 H LEU A 64 0.247 3.676 2.759 1.00 1.00 H new ATOM 0 HA LEU A 64 -1.655 1.870 3.756 1.00 1.00 H new ATOM 0 HB2 LEU A 64 -0.198 4.316 4.725 1.00 1.00 H new ATOM 0 HB3 LEU A 64 -1.610 3.830 5.641 1.00 1.00 H new ATOM 0 HG LEU A 64 0.571 1.857 4.863 1.00 1.00 H new ATOM 0 HD11 LEU A 64 1.467 2.165 7.154 1.00 1.00 H new ATOM 0 HD12 LEU A 64 1.568 3.674 6.215 1.00 1.00 H new ATOM 0 HD13 LEU A 64 0.290 3.470 7.437 1.00 1.00 H new ATOM 0 HD21 LEU A 64 -0.395 0.550 6.744 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -1.590 1.838 7.025 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -1.627 0.904 5.510 1.00 1.00 H new ATOM 1019 N ASP A 65 -2.836 4.903 3.135 1.00 1.00 N ATOM 1020 CA ASP A 65 -4.072 5.630 2.915 1.00 1.00 C ATOM 1021 C ASP A 65 -4.995 4.835 2.003 1.00 1.00 C ATOM 1022 O ASP A 65 -6.175 4.652 2.308 1.00 1.00 O ATOM 1023 CB ASP A 65 -3.755 6.980 2.268 1.00 1.00 C ATOM 1024 CG ASP A 65 -5.042 7.755 2.014 1.00 1.00 C ATOM 1025 OD1 ASP A 65 -5.709 8.087 2.980 1.00 1.00 O ATOM 1026 OD2 ASP A 65 -5.342 8.004 0.859 1.00 1.00 O ATOM 0 H ASP A 65 -1.989 5.459 3.022 1.00 1.00 H new ATOM 0 HA ASP A 65 -4.570 5.785 3.872 1.00 1.00 H new ATOM 0 HB2 ASP A 65 -3.096 7.557 2.917 1.00 1.00 H new ATOM 0 HB3 ASP A 65 -3.223 6.826 1.329 1.00 1.00 H new ATOM 1031 N ARG A 66 -4.445 4.340 0.897 1.00 1.00 N ATOM 1032 CA ARG A 66 -5.235 3.541 -0.030 1.00 1.00 C ATOM 1033 C ARG A 66 -5.784 2.305 0.679 1.00 1.00 C ATOM 1034 O ARG A 66 -6.947 1.937 0.518 1.00 1.00 O ATOM 1035 CB ARG A 66 -4.373 3.120 -1.219 1.00 1.00 C ATOM 1036 CG ARG A 66 -4.059 4.350 -2.082 1.00 1.00 C ATOM 1037 CD ARG A 66 -5.341 4.873 -2.743 1.00 1.00 C ATOM 1038 NE ARG A 66 -6.210 3.755 -3.103 1.00 1.00 N ATOM 1039 CZ ARG A 66 -6.019 3.068 -4.224 1.00 1.00 C ATOM 1040 NH1 ARG A 66 -5.040 3.388 -5.025 1.00 1.00 N ATOM 1041 NH2 ARG A 66 -6.803 2.069 -4.520 1.00 1.00 N ATOM 0 H ARG A 66 -3.471 4.476 0.625 1.00 1.00 H new ATOM 0 HA ARG A 66 -6.071 4.141 -0.391 1.00 1.00 H new ATOM 0 HB2 ARG A 66 -3.448 2.663 -0.868 1.00 1.00 H new ATOM 0 HB3 ARG A 66 -4.894 2.369 -1.813 1.00 1.00 H new ATOM 0 HG2 ARG A 66 -3.613 5.131 -1.466 1.00 1.00 H new ATOM 0 HG3 ARG A 66 -3.327 4.090 -2.846 1.00 1.00 H new ATOM 0 HD2 ARG A 66 -5.863 5.545 -2.062 1.00 1.00 H new ATOM 0 HD3 ARG A 66 -5.091 5.451 -3.633 1.00 1.00 H new ATOM 0 HE ARG A 66 -6.977 3.497 -2.482 1.00 1.00 H new ATOM 0 HH11 ARG A 66 -4.422 4.165 -4.790 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -4.892 2.861 -5.886 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -7.564 1.814 -3.891 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -6.655 1.542 -5.381 1.00 1.00 H new ATOM 1055 N ALA A 67 -4.932 1.651 1.451 1.00 1.00 N ATOM 1056 CA ALA A 67 -5.347 0.459 2.178 1.00 1.00 C ATOM 1057 C ALA A 67 -6.476 0.793 3.153 1.00 1.00 C ATOM 1058 O ALA A 67 -7.388 -0.004 3.364 1.00 1.00 O ATOM 1059 CB ALA A 67 -4.156 -0.119 2.962 1.00 1.00 C ATOM 0 H ALA A 67 -3.958 1.920 1.591 1.00 1.00 H new ATOM 0 HA ALA A 67 -5.703 -0.277 1.457 1.00 1.00 H new ATOM 0 HB1 ALA A 67 -4.475 -1.010 3.503 1.00 1.00 H new ATOM 0 HB2 ALA A 67 -3.357 -0.382 2.269 1.00 1.00 H new ATOM 0 HB3 ALA A 67 -3.792 0.625 3.671 1.00 1.00 H new ATOM 1065 N GLU A 68 -6.398 1.971 3.759 1.00 1.00 N ATOM 1066 CA GLU A 68 -7.406 2.389 4.724 1.00 1.00 C ATOM 1067 C GLU A 68 -8.767 2.551 4.061 1.00 1.00 C ATOM 1068 O GLU A 68 -9.741 1.928 4.479 1.00 1.00 O ATOM 1069 CB GLU A 68 -6.992 3.724 5.358 1.00 1.00 C ATOM 1070 CG GLU A 68 -5.788 3.512 6.271 1.00 1.00 C ATOM 1071 CD GLU A 68 -6.194 2.700 7.495 1.00 1.00 C ATOM 1072 OE1 GLU A 68 -7.374 2.685 7.803 1.00 1.00 O ATOM 1073 OE2 GLU A 68 -5.322 2.102 8.105 1.00 1.00 O ATOM 0 H GLU A 68 -5.653 2.649 3.601 1.00 1.00 H new ATOM 0 HA GLU A 68 -7.482 1.618 5.490 1.00 1.00 H new ATOM 0 HB2 GLU A 68 -6.747 4.446 4.579 1.00 1.00 H new ATOM 0 HB3 GLU A 68 -7.823 4.140 5.928 1.00 1.00 H new ATOM 0 HG2 GLU A 68 -4.997 2.995 5.728 1.00 1.00 H new ATOM 0 HG3 GLU A 68 -5.384 4.475 6.582 1.00 1.00 H new ATOM 1080 N LYS A 69 -8.827 3.383 3.029 1.00 1.00 N ATOM 1081 CA LYS A 69 -10.080 3.616 2.325 1.00 1.00 C ATOM 1082 C LYS A 69 -10.620 2.307 1.758 1.00 1.00 C ATOM 1083 O LYS A 69 -11.840 2.072 1.749 1.00 1.00 O ATOM 1084 CB LYS A 69 -9.873 4.634 1.204 1.00 1.00 C ATOM 1085 CG LYS A 69 -8.886 4.077 0.194 1.00 1.00 C ATOM 1086 CD LYS A 69 -8.631 5.109 -0.908 1.00 1.00 C ATOM 1087 CE LYS A 69 -9.952 5.447 -1.610 1.00 1.00 C ATOM 1088 NZ LYS A 69 -10.590 6.591 -0.910 1.00 1.00 N ATOM 0 H LYS A 69 -8.029 3.904 2.664 1.00 1.00 H new ATOM 0 HA LYS A 69 -10.809 4.016 3.030 1.00 1.00 H new ATOM 0 HB2 LYS A 69 -10.823 4.854 0.717 1.00 1.00 H new ATOM 0 HB3 LYS A 69 -9.500 5.573 1.614 1.00 1.00 H new ATOM 0 HG2 LYS A 69 -7.949 3.822 0.690 1.00 1.00 H new ATOM 0 HG3 LYS A 69 -9.277 3.157 -0.241 1.00 1.00 H new ATOM 0 HD2 LYS A 69 -8.193 6.011 -0.481 1.00 1.00 H new ATOM 0 HD3 LYS A 69 -7.914 4.717 -1.629 1.00 1.00 H new ATOM 0 HE2 LYS A 69 -9.770 5.699 -2.655 1.00 1.00 H new ATOM 0 HE3 LYS A 69 -10.616 4.582 -1.601 1.00 1.00 H new ATOM 0 HZ1 LYS A 69 -11.523 6.302 -0.552 1.00 1.00 H new ATOM 0 HZ2 LYS A 69 -9.991 6.889 -0.114 1.00 1.00 H new ATOM 0 HZ3 LYS A 69 -10.704 7.384 -1.573 1.00 1.00 H new ATOM 1102 N LEU A 70 -9.714 1.452 1.292 1.00 1.00 N ATOM 1103 CA LEU A 70 -10.100 0.170 0.734 1.00 1.00 C ATOM 1104 C LEU A 70 -10.830 -0.663 1.769 1.00 1.00 C ATOM 1105 O LEU A 70 -11.900 -1.210 1.500 1.00 1.00 O ATOM 1106 CB LEU A 70 -8.867 -0.579 0.225 1.00 1.00 C ATOM 1107 CG LEU A 70 -8.426 0.011 -1.126 1.00 1.00 C ATOM 1108 CD1 LEU A 70 -6.979 -0.398 -1.410 1.00 1.00 C ATOM 1109 CD2 LEU A 70 -9.334 -0.521 -2.254 1.00 1.00 C ATOM 0 H LEU A 70 -8.709 1.628 1.292 1.00 1.00 H new ATOM 0 HA LEU A 70 -10.774 0.347 -0.104 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -8.056 -0.500 0.950 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -9.093 -1.639 0.114 1.00 1.00 H new ATOM 0 HG LEU A 70 -8.503 1.097 -1.084 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -6.664 0.019 -2.367 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -6.332 -0.019 -0.619 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -6.909 -1.485 -1.447 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -9.015 -0.099 -3.207 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -9.263 -1.608 -2.297 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -10.366 -0.233 -2.056 1.00 1.00 H new ATOM 1121 N LYS A 71 -10.260 -0.722 2.948 1.00 1.00 N ATOM 1122 CA LYS A 71 -10.850 -1.458 4.058 1.00 1.00 C ATOM 1123 C LYS A 71 -12.080 -0.718 4.588 1.00 1.00 C ATOM 1124 O LYS A 71 -12.950 -1.295 5.239 1.00 1.00 O ATOM 1125 CB LYS A 71 -9.845 -1.634 5.194 1.00 1.00 C ATOM 1126 CG LYS A 71 -10.390 -2.618 6.234 1.00 1.00 C ATOM 1127 CD LYS A 71 -9.633 -2.469 7.548 1.00 1.00 C ATOM 1128 CE LYS A 71 -8.138 -2.614 7.289 1.00 1.00 C ATOM 1129 NZ LYS A 71 -7.423 -2.798 8.582 1.00 1.00 N ATOM 0 H LYS A 71 -9.376 -0.265 3.173 1.00 1.00 H new ATOM 0 HA LYS A 71 -11.142 -2.441 3.689 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -8.898 -2.000 4.798 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -9.644 -0.671 5.664 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -11.452 -2.436 6.396 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -10.294 -3.639 5.864 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -9.844 -1.497 7.994 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -9.965 -3.225 8.260 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -7.953 -3.466 6.635 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -7.760 -1.730 6.775 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -6.403 -2.897 8.404 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -7.590 -1.972 9.191 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -7.776 -3.654 9.055 1.00 1.00 H new ATOM 1143 N ASP A 72 -12.130 0.588 4.343 1.00 1.00 N ATOM 1144 CA ASP A 72 -13.220 1.395 4.863 1.00 1.00 C ATOM 1145 C ASP A 72 -14.570 1.037 4.238 1.00 1.00 C ATOM 1146 O ASP A 72 -15.530 0.663 4.936 1.00 1.00 O ATOM 1147 CB ASP A 72 -12.930 2.883 4.570 1.00 1.00 C ATOM 1148 CG ASP A 72 -13.840 3.772 5.410 1.00 1.00 C ATOM 1149 OD1 ASP A 72 -14.540 3.240 6.258 1.00 1.00 O ATOM 1150 OD2 ASP A 72 -13.830 4.976 5.197 1.00 1.00 O ATOM 0 H ASP A 72 -11.438 1.101 3.796 1.00 1.00 H new ATOM 0 HA ASP A 72 -13.283 1.200 5.934 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -11.886 3.108 4.790 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -13.084 3.089 3.511 1.00 1.00 H new ATOM 1155 N TYR A 73 -14.630 1.131 2.917 1.00 1.00 N ATOM 1156 CA TYR A 73 -15.870 0.827 2.207 1.00 1.00 C ATOM 1157 C TYR A 73 -16.060 -0.677 2.092 1.00 1.00 C ATOM 1158 O TYR A 73 -17.180 -1.157 2.017 1.00 1.00 O ATOM 1159 CB TYR A 73 -15.890 1.493 0.835 1.00 1.00 C ATOM 1160 CG TYR A 73 -15.020 0.718 -0.127 1.00 1.00 C ATOM 1161 CD1 TYR A 73 -15.500 -0.480 -0.677 1.00 1.00 C ATOM 1162 CD2 TYR A 73 -13.760 1.188 -0.460 1.00 1.00 C ATOM 1163 CE1 TYR A 73 -14.700 -1.205 -1.551 1.00 1.00 C ATOM 1164 CE2 TYR A 73 -12.970 0.462 -1.342 1.00 1.00 C ATOM 1165 CZ TYR A 73 -13.430 -0.732 -1.887 1.00 1.00 C ATOM 1166 OH TYR A 73 -12.640 -1.446 -2.748 1.00 1.00 O ATOM 0 H TYR A 73 -13.851 1.410 2.321 1.00 1.00 H new ATOM 0 HA TYR A 73 -16.704 1.231 2.781 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -16.912 1.539 0.458 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -15.533 2.520 0.915 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -16.487 -0.837 -0.422 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -13.395 2.112 -0.037 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -15.060 -2.133 -1.970 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -11.989 0.828 -1.607 1.00 1.00 H new ATOM 0 HH TYR A 73 -13.123 -2.243 -3.051 1.00 1.00 H new ATOM 1176 N LEU A 74 -14.950 -1.411 2.078 1.00 1.00 N ATOM 1177 CA LEU A 74 -15.020 -2.870 2.001 1.00 1.00 C ATOM 1178 C LEU A 74 -15.750 -3.411 3.223 1.00 1.00 C ATOM 1179 O LEU A 74 -16.670 -4.215 3.096 1.00 1.00 O ATOM 1180 CB LEU A 74 -13.600 -3.447 1.958 1.00 1.00 C ATOM 1181 CG LEU A 74 -13.080 -3.470 0.514 1.00 1.00 C ATOM 1182 CD1 LEU A 74 -11.580 -3.794 0.499 1.00 1.00 C ATOM 1183 CD2 LEU A 74 -13.870 -4.539 -0.287 1.00 1.00 C ATOM 0 H LEU A 74 -14.005 -1.029 2.118 1.00 1.00 H new ATOM 0 HA LEU A 74 -15.559 -3.160 1.099 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -12.937 -2.847 2.581 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -13.597 -4.456 2.369 1.00 1.00 H new ATOM 0 HG LEU A 74 -13.223 -2.492 0.055 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -11.221 -3.808 -0.530 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -11.038 -3.034 1.062 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -11.414 -4.770 0.954 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -13.509 -4.564 -1.315 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -13.726 -5.517 0.172 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -14.931 -4.288 -0.281 1.00 1.00 H new ATOM 1195 N ARG A 75 -15.330 -2.959 4.403 1.00 1.00 N ATOM 1196 CA ARG A 75 -15.960 -3.399 5.643 1.00 1.00 C ATOM 1197 C ARG A 75 -17.400 -2.925 5.697 1.00 1.00 C ATOM 1198 O ARG A 75 -18.300 -3.675 6.089 1.00 1.00 O ATOM 1199 CB ARG A 75 -15.180 -2.862 6.847 1.00 1.00 C ATOM 1200 CG ARG A 75 -15.910 -3.242 8.134 1.00 1.00 C ATOM 1201 CD ARG A 75 -15.010 -2.947 9.335 1.00 1.00 C ATOM 1202 NE ARG A 75 -15.710 -3.274 10.578 1.00 1.00 N ATOM 1203 CZ ARG A 75 -16.510 -2.391 11.172 1.00 1.00 C ATOM 1204 NH1 ARG A 75 -16.680 -1.213 10.641 1.00 1.00 N ATOM 1205 NH2 ARG A 75 -17.120 -2.705 12.283 1.00 1.00 N ATOM 0 H ARG A 75 -14.565 -2.296 4.525 1.00 1.00 H new ATOM 0 HA ARG A 75 -15.951 -4.488 5.675 1.00 1.00 H new ATOM 0 HB2 ARG A 75 -14.171 -3.273 6.853 1.00 1.00 H new ATOM 0 HB3 ARG A 75 -15.082 -1.779 6.777 1.00 1.00 H new ATOM 0 HG2 ARG A 75 -16.841 -2.681 8.216 1.00 1.00 H new ATOM 0 HG3 ARG A 75 -16.176 -4.299 8.116 1.00 1.00 H new ATOM 0 HD2 ARG A 75 -14.091 -3.528 9.262 1.00 1.00 H new ATOM 0 HD3 ARG A 75 -14.723 -1.895 9.335 1.00 1.00 H new ATOM 0 HE ARG A 75 -15.583 -4.195 10.997 1.00 1.00 H new ATOM 0 HH11 ARG A 75 -16.201 -0.971 9.774 1.00 1.00 H new ATOM 0 HH12 ARG A 75 -17.292 -0.533 11.093 1.00 1.00 H new ATOM 0 HH21 ARG A 75 -16.984 -3.627 12.696 1.00 1.00 H new ATOM 0 HH22 ARG A 75 -17.733 -2.028 12.737 1.00 1.00 H new TER 1219 ARG A 75 ATOM 1220 N ILE B 168 16.253 5.299 -6.373 1.00 1.00 N ATOM 1221 CA ILE B 168 15.046 4.671 -5.837 1.00 1.00 C ATOM 1222 C ILE B 168 13.823 5.124 -6.617 1.00 1.00 C ATOM 1223 O ILE B 168 13.397 6.273 -6.510 1.00 1.00 O ATOM 1224 CB ILE B 168 14.875 5.041 -4.360 1.00 1.00 C ATOM 1225 CG1 ILE B 168 15.972 4.367 -3.544 1.00 1.00 C ATOM 1226 CG2 ILE B 168 13.509 4.571 -3.855 1.00 1.00 C ATOM 1227 CD1 ILE B 168 15.938 4.870 -2.111 1.00 1.00 C ATOM 0 HA ILE B 168 15.148 3.590 -5.931 1.00 1.00 H new ATOM 0 HB ILE B 168 14.942 6.124 -4.252 1.00 1.00 H new ATOM 0 HG12 ILE B 168 15.837 3.286 -3.562 1.00 1.00 H new ATOM 0 HG13 ILE B 168 16.946 4.574 -3.988 1.00 1.00 H new ATOM 0 HG21 ILE B 168 13.398 4.839 -2.804 1.00 1.00 H new ATOM 0 HG22 ILE B 168 12.721 5.050 -4.437 1.00 1.00 H new ATOM 0 HG23 ILE B 168 13.434 3.489 -3.964 1.00 1.00 H new ATOM 0 HD11 ILE B 168 16.725 4.383 -1.536 1.00 1.00 H new ATOM 0 HD12 ILE B 168 16.095 5.949 -2.100 1.00 1.00 H new ATOM 0 HD13 ILE B 168 14.969 4.640 -1.668 1.00 1.00 H new ATOM 1239 N GLU B 169 13.251 4.205 -7.390 1.00 1.00 N ATOM 1240 CA GLU B 169 12.060 4.512 -8.181 1.00 1.00 C ATOM 1241 C GLU B 169 10.887 3.650 -7.739 1.00 1.00 C ATOM 1242 O GLU B 169 10.854 2.447 -7.999 1.00 1.00 O ATOM 1243 CB GLU B 169 12.339 4.272 -9.664 1.00 1.00 C ATOM 1244 CG GLU B 169 13.348 5.306 -10.160 1.00 1.00 C ATOM 1245 CD GLU B 169 13.705 5.021 -11.620 1.00 1.00 C ATOM 1246 OE1 GLU B 169 13.175 4.066 -12.160 1.00 1.00 O ATOM 1247 OE2 GLU B 169 14.503 5.763 -12.170 1.00 1.00 O ATOM 0 H GLU B 169 13.589 3.247 -7.486 1.00 1.00 H new ATOM 0 HA GLU B 169 11.806 5.560 -8.025 1.00 1.00 H new ATOM 0 HB2 GLU B 169 12.728 3.265 -9.815 1.00 1.00 H new ATOM 0 HB3 GLU B 169 11.414 4.345 -10.237 1.00 1.00 H new ATOM 0 HG2 GLU B 169 12.931 6.309 -10.067 1.00 1.00 H new ATOM 0 HG3 GLU B 169 14.246 5.276 -9.544 1.00 1.00 H new ATOM 1254 N LEU B 170 9.920 4.273 -7.066 1.00 1.00 N ATOM 1255 CA LEU B 170 8.753 3.549 -6.589 1.00 1.00 C ATOM 1256 C LEU B 170 7.573 3.737 -7.541 1.00 1.00 C ATOM 1257 O LEU B 170 7.569 4.651 -8.365 1.00 1.00 O ATOM 1258 CB LEU B 170 8.356 4.044 -5.197 1.00 1.00 C ATOM 1259 CG LEU B 170 9.500 3.740 -4.208 1.00 1.00 C ATOM 1260 CD1 LEU B 170 9.489 4.761 -3.071 1.00 1.00 C ATOM 1261 CD2 LEU B 170 9.321 2.325 -3.622 1.00 1.00 C ATOM 0 H LEU B 170 9.925 5.268 -6.843 1.00 1.00 H new ATOM 0 HA LEU B 170 9.010 2.491 -6.543 1.00 1.00 H new ATOM 0 HB2 LEU B 170 8.155 5.115 -5.222 1.00 1.00 H new ATOM 0 HB3 LEU B 170 7.438 3.555 -4.872 1.00 1.00 H new ATOM 0 HG LEU B 170 10.450 3.798 -4.739 1.00 1.00 H new ATOM 0 HD11 LEU B 170 10.299 4.541 -2.376 1.00 1.00 H new ATOM 0 HD12 LEU B 170 9.624 5.762 -3.480 1.00 1.00 H new ATOM 0 HD13 LEU B 170 8.536 4.709 -2.545 1.00 1.00 H new ATOM 0 HD21 LEU B 170 10.132 2.115 -2.924 1.00 1.00 H new ATOM 0 HD22 LEU B 170 8.367 2.266 -3.098 1.00 1.00 H new ATOM 0 HD23 LEU B 170 9.338 1.592 -4.429 1.00 1.00 H new ATOM 1273 N PRO B 171 6.575 2.899 -7.431 1.00 1.00 N ATOM 1274 CA PRO B 171 5.359 2.988 -8.293 1.00 1.00 C ATOM 1275 C PRO B 171 4.301 3.912 -7.703 1.00 1.00 C ATOM 1276 O PRO B 171 4.262 4.134 -6.494 1.00 1.00 O ATOM 1277 CB PRO B 171 4.849 1.539 -8.357 1.00 1.00 C ATOM 1278 CG PRO B 171 5.429 0.874 -7.153 1.00 1.00 C ATOM 1279 CD PRO B 171 6.772 1.530 -6.928 1.00 1.00 C ATOM 0 HA PRO B 171 5.584 3.408 -9.273 1.00 1.00 H new ATOM 0 HB2 PRO B 171 3.760 1.503 -8.342 1.00 1.00 H new ATOM 0 HB3 PRO B 171 5.172 1.047 -9.274 1.00 1.00 H new ATOM 0 HG2 PRO B 171 4.781 1.001 -6.286 1.00 1.00 H new ATOM 0 HG3 PRO B 171 5.539 -0.198 -7.314 1.00 1.00 H new ATOM 0 HD2 PRO B 171 7.049 1.526 -5.874 1.00 1.00 H new ATOM 0 HD3 PRO B 171 7.566 1.014 -7.468 1.00 1.00 H new ATOM 1287 N GLU B 172 3.428 4.432 -8.563 1.00 1.00 N ATOM 1288 CA GLU B 172 2.359 5.314 -8.114 1.00 1.00 C ATOM 1289 C GLU B 172 1.044 4.553 -8.006 1.00 1.00 C ATOM 1290 O GLU B 172 0.603 3.911 -8.959 1.00 1.00 O ATOM 1291 CB GLU B 172 2.194 6.480 -9.093 1.00 1.00 C ATOM 1292 CG GLU B 172 1.355 7.586 -8.447 1.00 1.00 C ATOM 1293 CD GLU B 172 -0.120 7.197 -8.457 1.00 1.00 C ATOM 1294 OE1 GLU B 172 -0.568 6.681 -9.467 1.00 1.00 O ATOM 1295 OE2 GLU B 172 -0.776 7.415 -7.454 1.00 1.00 O ATOM 0 H GLU B 172 3.441 4.258 -9.568 1.00 1.00 H new ATOM 0 HA GLU B 172 2.625 5.700 -7.130 1.00 1.00 H new ATOM 0 HB2 GLU B 172 3.172 6.871 -9.375 1.00 1.00 H new ATOM 0 HB3 GLU B 172 1.713 6.133 -10.008 1.00 1.00 H new ATOM 0 HG2 GLU B 172 1.688 7.755 -7.423 1.00 1.00 H new ATOM 0 HG3 GLU B 172 1.496 8.523 -8.986 1.00 1.00 H new ATOM 1302 N VAL B 173 0.428 4.623 -6.836 1.00 1.00 N ATOM 1303 CA VAL B 173 -0.824 3.930 -6.606 1.00 1.00 C ATOM 1304 C VAL B 173 -1.857 4.296 -7.677 1.00 1.00 C ATOM 1305 O VAL B 173 -2.034 5.471 -7.998 1.00 1.00 O ATOM 1306 CB VAL B 173 -1.383 4.266 -5.204 1.00 1.00 C ATOM 1307 CG1 VAL B 173 -1.163 3.085 -4.256 1.00 1.00 C ATOM 1308 CG2 VAL B 173 -0.655 5.492 -4.657 1.00 1.00 C ATOM 0 H VAL B 173 0.775 5.151 -6.036 1.00 1.00 H new ATOM 0 HA VAL B 173 -0.627 2.859 -6.662 1.00 1.00 H new ATOM 0 HB VAL B 173 -2.451 4.469 -5.281 1.00 1.00 H new ATOM 0 HG11 VAL B 173 -1.560 3.330 -3.271 1.00 1.00 H new ATOM 0 HG12 VAL B 173 -1.676 2.206 -4.645 1.00 1.00 H new ATOM 0 HG13 VAL B 173 -0.096 2.877 -4.176 1.00 1.00 H new ATOM 0 HG21 VAL B 173 -1.044 5.735 -3.668 1.00 1.00 H new ATOM 0 HG22 VAL B 173 0.412 5.280 -4.585 1.00 1.00 H new ATOM 0 HG23 VAL B 173 -0.812 6.337 -5.327 1.00 1.00 H new ATOM 1318 N PRO B 174 -2.543 3.320 -8.217 1.00 1.00 N ATOM 1319 CA PRO B 174 -3.579 3.555 -9.260 1.00 1.00 C ATOM 1320 C PRO B 174 -4.828 4.220 -8.696 1.00 1.00 C ATOM 1321 O PRO B 174 -5.158 4.050 -7.523 1.00 1.00 O ATOM 1322 CB PRO B 174 -3.886 2.149 -9.786 1.00 1.00 C ATOM 1323 CG PRO B 174 -3.569 1.231 -8.651 1.00 1.00 C ATOM 1324 CD PRO B 174 -2.424 1.887 -7.892 1.00 1.00 C ATOM 0 HA PRO B 174 -3.233 4.237 -10.037 1.00 1.00 H new ATOM 0 HB2 PRO B 174 -4.930 2.059 -10.086 1.00 1.00 H new ATOM 0 HB3 PRO B 174 -3.282 1.915 -10.663 1.00 1.00 H new ATOM 0 HG2 PRO B 174 -4.437 1.093 -8.006 1.00 1.00 H new ATOM 0 HG3 PRO B 174 -3.282 0.244 -9.015 1.00 1.00 H new ATOM 0 HD2 PRO B 174 -2.508 1.714 -6.819 1.00 1.00 H new ATOM 0 HD3 PRO B 174 -1.459 1.487 -8.205 1.00 1.00 H new ATOM 1332 N SER B 175 -5.527 4.968 -9.547 1.00 1.00 N ATOM 1333 CA SER B 175 -6.752 5.650 -9.130 1.00 1.00 C ATOM 1334 C SER B 175 -7.962 5.053 -9.835 1.00 1.00 C ATOM 1335 O SER B 175 -8.388 5.539 -10.880 1.00 1.00 O ATOM 1336 CB SER B 175 -6.655 7.137 -9.458 1.00 1.00 C ATOM 1337 OG SER B 175 -5.448 7.658 -8.916 1.00 1.00 O ATOM 0 H SER B 175 -5.269 5.117 -10.523 1.00 1.00 H new ATOM 0 HA SER B 175 -6.871 5.520 -8.054 1.00 1.00 H new ATOM 0 HB2 SER B 175 -6.677 7.286 -10.538 1.00 1.00 H new ATOM 0 HB3 SER B 175 -7.512 7.669 -9.046 1.00 1.00 H new ATOM 0 HG SER B 175 -5.381 8.613 -9.126 1.00 1.00 H new ATOM 1343 N GLU B 176 -8.522 3.999 -9.247 1.00 1.00 N ATOM 1344 CA GLU B 176 -9.691 3.354 -9.826 1.00 1.00 C ATOM 1345 C GLU B 176 -10.970 4.054 -9.369 1.00 1.00 C ATOM 1346 O GLU B 176 -10.940 4.900 -8.475 1.00 1.00 O ATOM 1347 CB GLU B 176 -9.737 1.870 -9.414 1.00 1.00 C ATOM 1348 CG GLU B 176 -8.948 1.028 -10.420 1.00 1.00 C ATOM 1349 CD GLU B 176 -7.466 1.364 -10.320 1.00 1.00 C ATOM 1350 OE1 GLU B 176 -6.874 1.032 -9.307 1.00 1.00 O ATOM 1351 OE2 GLU B 176 -6.947 1.950 -11.250 1.00 1.00 O ATOM 0 H GLU B 176 -8.188 3.579 -8.380 1.00 1.00 H new ATOM 0 HA GLU B 176 -9.619 3.424 -10.911 1.00 1.00 H new ATOM 0 HB2 GLU B 176 -9.318 1.747 -8.415 1.00 1.00 H new ATOM 0 HB3 GLU B 176 -10.771 1.527 -9.370 1.00 1.00 H new ATOM 0 HG2 GLU B 176 -9.104 -0.033 -10.223 1.00 1.00 H new ATOM 0 HG3 GLU B 176 -9.307 1.221 -11.431 1.00 1.00 H new ATOM 1358 N PRO B 177 -12.080 3.701 -9.959 1.00 1.00 N ATOM 1359 CA PRO B 177 -13.400 4.296 -9.601 1.00 1.00 C ATOM 1360 C PRO B 177 -14.060 3.580 -8.422 1.00 1.00 C ATOM 1361 O PRO B 177 -15.270 3.677 -8.224 1.00 1.00 O ATOM 1362 CB PRO B 177 -14.240 4.132 -10.880 1.00 1.00 C ATOM 1363 CG PRO B 177 -13.570 3.037 -11.640 1.00 1.00 C ATOM 1364 CD PRO B 177 -12.090 3.175 -11.330 1.00 1.00 C ATOM 0 HA PRO B 177 -13.302 5.333 -9.281 1.00 1.00 H new ATOM 0 HB2 PRO B 177 -15.273 3.875 -10.644 1.00 1.00 H new ATOM 0 HB3 PRO B 177 -14.265 5.056 -11.458 1.00 1.00 H new ATOM 0 HG2 PRO B 177 -13.946 2.060 -11.334 1.00 1.00 H new ATOM 0 HG3 PRO B 177 -13.757 3.130 -12.710 1.00 1.00 H new ATOM 0 HD2 PRO B 177 -11.574 2.217 -11.397 1.00 1.00 H new ATOM 0 HD3 PRO B 177 -11.595 3.853 -12.025 1.00 1.00 H new ATOM 1372 N LEU B 178 -13.250 2.862 -7.657 1.00 1.00 N ATOM 1373 CA LEU B 178 -13.770 2.126 -6.511 1.00 1.00 C ATOM 1374 C LEU B 178 -14.720 3.006 -5.696 1.00 1.00 C ATOM 1375 O LEU B 178 -14.430 4.185 -5.473 1.00 1.00 O ATOM 1376 CB LEU B 178 -12.620 1.654 -5.622 1.00 1.00 C ATOM 1377 CG LEU B 178 -11.750 2.863 -5.218 1.00 1.00 C ATOM 1378 CD1 LEU B 178 -12.080 3.285 -3.782 1.00 1.00 C ATOM 1379 CD2 LEU B 178 -10.270 2.479 -5.302 1.00 1.00 C ATOM 0 H LEU B 178 -12.245 2.773 -7.804 1.00 1.00 H new ATOM 0 HA LEU B 178 -14.319 1.259 -6.880 1.00 1.00 H new ATOM 0 HB2 LEU B 178 -13.013 1.162 -4.732 1.00 1.00 H new ATOM 0 HB3 LEU B 178 -12.015 0.918 -6.152 1.00 1.00 H new ATOM 0 HG LEU B 178 -11.955 3.692 -5.896 1.00 1.00 H new ATOM 0 HD11 LEU B 178 -11.463 4.139 -3.503 1.00 1.00 H new ATOM 0 HD12 LEU B 178 -13.132 3.561 -3.717 1.00 1.00 H new ATOM 0 HD13 LEU B 178 -11.880 2.455 -3.104 1.00 1.00 H new ATOM 0 HD21 LEU B 178 -9.656 3.333 -5.017 1.00 1.00 H new ATOM 0 HD22 LEU B 178 -10.071 1.647 -4.626 1.00 1.00 H new ATOM 0 HD23 LEU B 178 -10.028 2.183 -6.323 1.00 1.00 H new ATOM 1391 N PRO B 179 -15.830 2.460 -5.253 1.00 1.00 N ATOM 1392 CA PRO B 179 -16.830 3.217 -4.454 1.00 1.00 C ATOM 1393 C PRO B 179 -16.190 4.312 -3.606 1.00 1.00 C ATOM 1394 O PRO B 179 -15.230 4.068 -2.889 1.00 1.00 O ATOM 1395 CB PRO B 179 -17.470 2.140 -3.564 1.00 1.00 C ATOM 1396 CG PRO B 179 -17.300 0.853 -4.311 1.00 1.00 C ATOM 1397 CD PRO B 179 -16.070 1.010 -5.206 1.00 1.00 C ATOM 0 HA PRO B 179 -17.547 3.739 -5.088 1.00 1.00 H new ATOM 0 HB2 PRO B 179 -16.983 2.096 -2.590 1.00 1.00 H new ATOM 0 HB3 PRO B 179 -18.524 2.354 -3.385 1.00 1.00 H new ATOM 0 HG2 PRO B 179 -17.169 0.021 -3.619 1.00 1.00 H new ATOM 0 HG3 PRO B 179 -18.185 0.635 -4.908 1.00 1.00 H new ATOM 0 HD2 PRO B 179 -15.211 0.479 -4.796 1.00 1.00 H new ATOM 0 HD3 PRO B 179 -16.250 0.605 -6.202 1.00 1.00 H new TER 1405 PRO B 179